| 1 | #ala 10 9
|
|---|
| 2 | n 1.32 115.41 3*psi 180. -.2153 13 0 2 3 0
|
|---|
| 3 | h 1. 122.97 0. .2024 4 1 0 0 0
|
|---|
| 4 | ca 1.47 120.93 1*omg 180. -.0638 7 1 4 5 9
|
|---|
| 5 | ha 1.09 109.433 -59.93 .0713 1 3 0 0 0
|
|---|
| 6 | cb 1.52 109.47 60. -.2248 7 3 6 7 8
|
|---|
| 7 | hb1 1.09 109.47 4*x1 180. .0736 1 5 0 0 0
|
|---|
| 8 | hb2 1.09 109.47 -60. .0736 1 5 0 0 0
|
|---|
| 9 | hb3 1.09 109.47 60. .0736 1 5 0 0 0
|
|---|
| 10 | c 1.53 109.7 2*phi 180. .5683 8 3 -10 0 0
|
|---|
| 11 | o 1.24 120.95 180. -.5589 11 -9 0 0 0
|
|---|
| 12 | #arg 23 22
|
|---|
| 13 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
|---|
| 14 | h 1. 122.97 0. .2023 4 1 0 0 0
|
|---|
| 15 | ca 1.47 120.93 1*omg 180. -.0662 7 1 4 5 22
|
|---|
| 16 | ha 1.09 109.433 -59.93 .0711 1 3 0 0 0
|
|---|
| 17 | cb 1.52 109.47 60. -.1427 7 3 6 7 8
|
|---|
| 18 | hb1 1.09 109.47 -60. .0714 1 5 0 0 0
|
|---|
| 19 | hb2 1.09 109.47 60. .0714 1 5 0 0 0
|
|---|
| 20 | cg 1.52 109.47 4*x1 180. -.1395 7 5 9 10 11
|
|---|
| 21 | hg1 1.09 109.47 -60. .0719 1 8 0 0 0
|
|---|
| 22 | hg2 1.09 109.47 60. .0719 1 8 0 0 0
|
|---|
| 23 | cd 1.52 109.47 4*x2 180. -.1326 7 8 12 13 14
|
|---|
| 24 | hd1 1.09 109.47 -60. .0748 1 11 0 0 0
|
|---|
| 25 | hd2 1.09 109.47 60. .0748 1 11 0 0 0
|
|---|
| 26 | ne 1.47 109.47 4*x3 180. -.1628 13 11 15 16 0
|
|---|
| 27 | he 1.02 120. 0. .2076 4 14 0 0 0
|
|---|
| 28 | cz 1.35 120. 8*x4 180. .4189 9 14 -17 19 0
|
|---|
| 29 | nh1 1.32 119. 17*x5 0. -.8789 15 -16 18 0 0
|
|---|
| 30 | hh1 1.02 124. 180. .2845 3 17 0 0 0
|
|---|
| 31 | nh2 1.34 120.5 180. -.4678 14 16 20 21 0
|
|---|
| 32 | hh21 1.02 120. 18*x6 180. .2882 4 19 0 0 0
|
|---|
| 33 | hh22 1.02 120. 0. .2882 4 19 0 0 0
|
|---|
| 34 | c 1.53 109.7 2*phi 180. .5680 8 3 -23 0 0
|
|---|
| 35 | o 1.24 120.95 180. -.5590 11 -22 0 0 0
|
|---|
| 36 | #arg+ 24 23
|
|---|
| 37 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
|---|
| 38 | h 1. 122.97 0. .2023 4 1 0 0 0
|
|---|
| 39 | ca 1.47 120.93 1*omg 180. -.0662 7 1 4 5 23
|
|---|
| 40 | ha 1.09 109.433 -59.93 .0711 1 3 0 0 0
|
|---|
| 41 | cb 1.52 109.47 60. -.1425 7 3 6 7 8
|
|---|
| 42 | hb1 1.09 109.47 -60. .0715 1 5 0 0 0
|
|---|
| 43 | hb2 1.09 109.47 60. .0715 1 5 0 0 0
|
|---|
| 44 | cg 1.52 109.47 4*x1 180. -.1379 7 5 9 10 11
|
|---|
| 45 | hg1 1.09 109.47 -60. .0721 1 8 0 0 0
|
|---|
| 46 | hg2 1.09 109.47 60. .0721 1 8 0 0 0
|
|---|
| 47 | cd 1.52 109.47 4*x2 180. -.1274 7 8 12 13 14
|
|---|
| 48 | hd1 1.09 109.47 -60. .0765 1 11 0 0 0
|
|---|
| 49 | hd2 1.09 109.47 60. .0765 1 11 0 0 0
|
|---|
| 50 | ne 1.47 109.47 4*x3 180. -.0177 13 11 15 16 0
|
|---|
| 51 | he 1.02 120. 0. .2347 4 14 0 0 0
|
|---|
| 52 | cz 1.35 120. 8*x4 180. .3119 9 14 -17 -20 0
|
|---|
| 53 | nh1 1.34 120. 17*x5 0. -.6246 13 -16 18 19 0
|
|---|
| 54 | hh11 1.02 120. 18*x61 180. .4218 4 17 0 0 0
|
|---|
| 55 | hh12 1.02 120. 0. .4218 4 17 0 0 0
|
|---|
| 56 | nh2 1.34 120. 180. -.6246 13 -16 21 22 0
|
|---|
| 57 | hh21 1.02 120. 18*x62 180. .4218 4 20 0 0 0
|
|---|
| 58 | hh22 1.02 120. 0. .4218 4 20 0 0 0
|
|---|
| 59 | c 1.53 109.7 2*phi 180. .5680 8 3 -24 0 0
|
|---|
| 60 | o 1.24 120.95 180. -.5590 11 -23 0 0 0
|
|---|
| 61 | #asn 14 13
|
|---|
| 62 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
|---|
| 63 | h 1. 122.97 0. .2023 4 1 0 0 0
|
|---|
| 64 | ca 1.47 120.93 1*omg 180. -.0669 7 1 4 5 13
|
|---|
| 65 | ha 1.09 109.433 -59.93 .0710 1 3 0 0 0
|
|---|
| 66 | cb 1.52 109.47 60. -.1477 7 3 6 7 8
|
|---|
| 67 | hb1 1.09 109.47 -60. .0708 1 5 0 0 0
|
|---|
| 68 | hb2 1.09 109.47 60. .0708 1 5 0 0 0
|
|---|
| 69 | cg 1.52 111. 4*x1 180. .5713 8 5 -9 10 0
|
|---|
| 70 | od1 1.24 120. 11*x2 180. -.5827 11 -8 0 0 0
|
|---|
| 71 | nd2 1.34 120. 0. -.5539 14 8 11 12 0
|
|---|
| 72 | hd21 1.02 120. 19*x3 0. .2858 4 10 0 0 0
|
|---|
| 73 | hd22 1.02 120. 180. .2858 4 10 0 0 0
|
|---|
| 74 | c 1.53 109.7 2*phi 180. .5679 8 3 -14 0 0
|
|---|
| 75 | o 1.24 120.95 180. -.5590 11 -13 0 0 0
|
|---|
| 76 | #asp 13 12
|
|---|
| 77 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
|---|
| 78 | h 1. 122.97 0. .2023 4 1 0 0 0
|
|---|
| 79 | ca 1.47 120.93 1*omg 180. -.0667 7 1 4 5 12
|
|---|
| 80 | ha 1.09 109.433 -60. .0710 1 3 0 0 0
|
|---|
| 81 | cb 1.52 109.47 60. -.1465 7 3 6 7 8
|
|---|
| 82 | hb1 1.09 109.47 -60. .0709 1 5 0 0 0
|
|---|
| 83 | hb2 1.09 109.47 60. .0709 1 5 0 0 0
|
|---|
| 84 | cg 1.52 109.47 4*x1 180. .6380 8 5 -9 10 0
|
|---|
| 85 | od1 1.24 120.95 9*x2 180. -.4865 11 -8 0 0 0
|
|---|
| 86 | od2 1.29 115. 0. -.5032 10 8 11 0 0
|
|---|
| 87 | hd2 .97 107. 16*x3 180. .3564 5 10 0 0 0
|
|---|
| 88 | c 1.53 109.7 2*phi 180. .5679 8 3 -13 0 0
|
|---|
| 89 | o 1.24 120.95 180. -.5590 11 -12 0 0 0
|
|---|
| 90 | #asp- 12 11
|
|---|
| 91 | n 1.32 115.41 3*psi 180. -.2154 13 0 2 3 0
|
|---|
| 92 | h 1. 122.97 0. .2023 4 1 0 0 0
|
|---|
| 93 | ca 1.47 120.93 1*omg 180. -.0654 7 1 4 5 11
|
|---|
| 94 | ha 1.09 109.433 -59.93 .0712 1 3 0 0 0
|
|---|
| 95 | cb 1.52 109.47 60. -.1066 7 3 6 7 8
|
|---|
| 96 | hb1 1.09 109.47 -60. .0722 1 5 0 0 0
|
|---|
| 97 | hb2 1.09 109.47 60. .0722 1 5 0 0 0
|
|---|
| 98 | cg 1.52 109.47 4*x1 180. .6278 9 5 -9 -10 0
|
|---|
| 99 | od1 1.24 120. 10*x2 180. -.8337 12 -8 0 0 0
|
|---|
| 100 | od2 1.24 120. 0. -.8337 12 -8 0 0 0
|
|---|
| 101 | c 1.53 109.7 2*phi 180. .5681 8 3 -12 0 0
|
|---|
| 102 | o 1.24 120.95 180. -.5590 11 -11 0 0 0
|
|---|
| 103 | #cys 11 10
|
|---|
| 104 | n 1.32 115.41 3*psi 180. -.2153 13 0 2 3 0
|
|---|
| 105 | h 1. 122.97 0. .2024 4 1 0 0 0
|
|---|
| 106 | ca 1.47 120.93 1*omg 180. -.0624 7 1 4 5 10
|
|---|
| 107 | ha 1.09 109.433 -59.93 .0715 1 3 0 0 0
|
|---|
| 108 | cb 1.52 109.47 60. -.1324 7 3 6 7 8
|
|---|
| 109 | hb1 1.09 108.836 -59.62 .0750 1 5 0 0 0
|
|---|
| 110 | hb2 1.09 108.836 59.62 .0750 1 5 0 0 0
|
|---|
| 111 | sg 1.82 112. 4*x1 180. -.1542 16 5 9 0 0
|
|---|
| 112 | hg 1.33 95. 14*x2 180. .1309 6 8 0 0 0
|
|---|
| 113 | c 1.53 109.7 2*phi 180. .5684 8 3 -11 0 0
|
|---|
| 114 | o 1.24 120.95 180. -.5589 11 -10 0 0 0
|
|---|
| 115 | #cyss 10 9
|
|---|
| 116 | n 1.32 115.41 3*psi 180. -.2153 13 0 2 3 0
|
|---|
| 117 | h 1. 122.97 0. .2024 4 1 0 0 0
|
|---|
| 118 | ca 1.47 120.93 1*omg 180. -.0624 7 1 4 5 9
|
|---|
| 119 | ha 1.09 109.433 -59.93 .0715 1 3 0 0 0
|
|---|
| 120 | cb 1.52 109.47 60. -.0927 7 3 6 7 8
|
|---|
| 121 | hb1 1.09 108.836 -59.62 .0975 1 5 0 0 0
|
|---|
| 122 | hb2 1.09 108.836 59.62 .0975 1 5 0 0 0
|
|---|
| 123 | sg 1.82 112. 4*x1 180. -.1080 16 5 0 0 0
|
|---|
| 124 | c 1.53 109.7 2*phi 180. .5684 8 3 -10 0 0
|
|---|
| 125 | o 1.24 120.95 180. -.5589 11 -9 0 0 0
|
|---|
| 126 | #gln 17 16
|
|---|
| 127 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
|---|
| 128 | h 1. 122.97 0. .2023 4 1 0 0 0
|
|---|
| 129 | ca 1.47 120.93 1*omg 180. -.0664 7 1 4 5 16
|
|---|
| 130 | ha 1.09 109.433 -59.93 .0711 1 3 0 0 0
|
|---|
| 131 | cb 1.52 109.47 60. -.1438 7 3 6 7 8
|
|---|
| 132 | hb1 1.09 109.47 -60. .0713 1 5 0 0 0
|
|---|
| 133 | hb2 1.09 109.47 60. .0713 1 5 0 0 0
|
|---|
| 134 | cg 1.52 109.47 4*x1 180. -.1474 7 5 9 10 11
|
|---|
| 135 | hg1 1.09 109.47 -60. .0708 1 8 0 0 0
|
|---|
| 136 | hg2 1.09 109.47 60. .0708 1 8 0 0 0
|
|---|
| 137 | cd 1.52 109.47 4*x2 180. .5715 8 8 -12 13 0
|
|---|
| 138 | oe1 1.24 120. 11*x3 180. -.5827 11 -11 0 0 0
|
|---|
| 139 | ne2 1.34 120. 0. -.5539 14 11 14 15 0
|
|---|
| 140 | he21 1.02 120. 19*x4 0. .2858 4 13 0 0 0
|
|---|
| 141 | he22 1.02 120. 180. .2858 4 13 0 0 0
|
|---|
| 142 | c 1.53 109.7 2*phi 180. .5680 8 3 -17 0 0
|
|---|
| 143 | o 1.24 120.95 180. -.5590 11 -16 0 0 0
|
|---|
| 144 | #glu 16 15
|
|---|
| 145 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
|---|
| 146 | h 1. 122.97 0. .2023 4 1 0 0 0
|
|---|
| 147 | ca 1.47 120.93 1*omg 180. -.0663 7 1 4 5 15
|
|---|
| 148 | ha 1.09 109.433 -59.93 .0711 1 3 0 0 0
|
|---|
| 149 | cb 1.52 109.47 60. -.1436 7 3 6 7 8
|
|---|
| 150 | hb1 1.09 109.47 -60. .0713 1 5 0 0 0
|
|---|
| 151 | hb2 1.09 109.47 60. .0713 1 5 0 0 0
|
|---|
| 152 | cg 1.52 109.47 4*x1 180. -.1463 7 5 9 10 11
|
|---|
| 153 | hg1 1.09 109.47 -60. .0710 1 8 0 0 0
|
|---|
| 154 | hg2 1.09 109.47 60. .0710 1 8 0 0 0
|
|---|
| 155 | cd 1.52 109.47 4*x2 180. .6380 8 8 -12 13 0
|
|---|
| 156 | oe1 1.24 120.95 9*x3 180. -.4865 11 -11 0 0 0
|
|---|
| 157 | oe2 1.29 115. 0. -.5032 10 11 14 0 0
|
|---|
| 158 | he2 .97 107. 16*x4 180. .3564 5 13 0 0 0
|
|---|
| 159 | c 1.53 109.7 2*phi 180. .5680 8 3 -16 0 0
|
|---|
| 160 | o 1.24 120.95 180. -.5590 11 -15 0 0 0
|
|---|
| 161 | #glu- 15 14
|
|---|
| 162 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
|---|
| 163 | h 1. 122.97 0. .2023 4 1 0 0 0
|
|---|
| 164 | ca 1.47 120.93 1*omg 180. -.0661 7 1 4 5 14
|
|---|
| 165 | ha 1.09 109.433 -59.93 .0711 1 3 0 0 0
|
|---|
| 166 | cb 1.52 109.47 60. -.1424 7 3 6 7 8
|
|---|
| 167 | hb1 1.09 109.47 -60. .0715 1 5 0 0 0
|
|---|
| 168 | hb2 1.09 109.47 60. .0715 1 5 0 0 0
|
|---|
| 169 | cg 1.52 109.47 4*x1 180. -.1066 7 5 9 10 11
|
|---|
| 170 | hg1 1.09 109.47 -60. .0723 1 8 0 0 0
|
|---|
| 171 | hg2 1.09 109.47 60. .0723 1 8 0 0 0
|
|---|
| 172 | cd 1.52 109.47 4*x2 180. .6280 9 8 -12 -13 0
|
|---|
| 173 | oe1 1.24 120. 10*x3 180. -.8337 12 -11 0 0 0
|
|---|
| 174 | oe2 1.24 120. 0. -.8337 12 -11 0 0 0
|
|---|
| 175 | c 1.53 109.7 2*phi 180. .5680 8 3 -15 0 0
|
|---|
| 176 | o 1.24 120.95 180. -.5590 11 -14 0 0 0
|
|---|
| 177 | #gly 7 6
|
|---|
| 178 | n 1.32 115.41 3*psi 180. -.2145 13 0 2 3 0
|
|---|
| 179 | h 1. 122.97 0. .2028 4 1 0 0 0
|
|---|
| 180 | ca 1.47 120.93 1*omg 180. -.1460 7 1 4 5 6
|
|---|
| 181 | ha1 1.09 109.414 -59.964 .0730 1 3 0 0 0
|
|---|
| 182 | ha2 1.09 109.414 59.964 .0730 1 3 0 0 0
|
|---|
| 183 | c 1.53 109.7 2*phi 180. .5701 8 3 -7 0 0
|
|---|
| 184 | o 1.24 120.95 180. -.5584 11 -6 0 0 0
|
|---|
| 185 | #hisd 17 16
|
|---|
| 186 | n 1.32 115.41 3*psi 180. -.2164 13 0 2 3 0
|
|---|
| 187 | h 1. 122.97 0. .2018 4 1 0 0 0
|
|---|
| 188 | ca 1.47 120.93 1*omg 180. -.0832 7 1 4 5 16
|
|---|
| 189 | ha 1.09 109.433 -59.93 .0692 1 3 0 0 0
|
|---|
| 190 | cb 1.52 109.47 60. -.0081 7 3 6 7 8
|
|---|
| 191 | hb1 1.09 109.47 -60. .0556 1 5 0 0 0
|
|---|
| 192 | hb2 1.09 109.47 60. .0556 1 5 0 0 0
|
|---|
| 193 | cg 1.54 109.47 4*x1 180. -.0502 9 5 9 -14 0
|
|---|
| 194 | nd1 1.404 127.173 12*x2 180. -.1876 13 8 10 11 0
|
|---|
| 195 | hd1 1.02 125.913 0. .2498 4 9 0 0 0
|
|---|
| 196 | ce1 1.32 108.174 180. .0520 9 9 12 -13 0
|
|---|
| 197 | he1 1.09 125.5 180. .1460 2 11 0 0 0
|
|---|
| 198 | ne2 1.31 109. 0. -.3698 15 -11 14 0 0
|
|---|
| 199 | cd2 1.36 110. 0. -.0654 9 13 -8 15 0
|
|---|
| 200 | hd2 1.09 126.5 180. .1443 2 14 0 0 0
|
|---|
| 201 | c 1.53 109.7 2*phi 180. .5660 8 3 -17 0 0
|
|---|
| 202 | o 1.24 120.95 180. -.5596 11 -16 0 0 0
|
|---|
| 203 | #hise 17 16
|
|---|
| 204 | n 1.32 115.41 3*psi 180. -.2164 13 0 2 3 0
|
|---|
| 205 | h 1. 122.97 0. .2018 4 1 0 0 0
|
|---|
| 206 | ca 1.47 120.93 1*omg 180. -.0821 7 1 4 5 16
|
|---|
| 207 | ha 1.09 109.433 -59.93 .0693 1 3 0 0 0
|
|---|
| 208 | cb 1.52 109.47 60. -.0004 7 3 6 7 8
|
|---|
| 209 | hb1 1.09 109.47 -60. .0567 1 5 0 0 0
|
|---|
| 210 | hb2 1.09 109.47 60. .0567 1 5 0 0 0
|
|---|
| 211 | cg 1.54 109.47 4*x1 180. .0123 9 5 9 -14 0
|
|---|
| 212 | nd1 1.404 127.173 12*x2 180. -.3791 15 8 -10 0 0
|
|---|
| 213 | ce1 1.32 108.174 180. .0520 9 -9 11 12 0
|
|---|
| 214 | he1 1.09 125.5 180. .1460 2 10 0 0 0
|
|---|
| 215 | ne2 1.31 109. 0. -.1816 13 10 13 14 0
|
|---|
| 216 | he2 1.02 125. 180. .2515 4 12 0 0 0
|
|---|
| 217 | cd2 1.36 110. 0. -.1270 9 12 -8 15 0
|
|---|
| 218 | hd2 1.09 126.5 180. .1336 2 14 0 0 0
|
|---|
| 219 | c 1.53 109.7 2*phi 180. .5662 8 3 -17 0 0
|
|---|
| 220 | o 1.24 120.95 180. -.5595 11 -16 0 0 0
|
|---|
| 221 | #his+ 18 17
|
|---|
| 222 | n 1.32 115.41 3*psi 180. -.2158 13 0 2 3 0
|
|---|
| 223 | h 1. 122.97 0. .2021 4 1 0 0 0
|
|---|
| 224 | ca 1.47 120.93 1*omg 180. -.0735 7 1 4 5 17
|
|---|
| 225 | ha 1.09 109.433 -59.93 .0703 1 3 0 0 0
|
|---|
| 226 | cb 1.52 109.47 60. .0578 7 3 6 7 8
|
|---|
| 227 | hb1 1.09 109.47 -60. .0647 1 5 0 0 0
|
|---|
| 228 | hb2 1.09 109.47 60. .0647 1 5 0 0 0
|
|---|
| 229 | cg 1.54 109.47 4*x1 180. .0681 9 5 9 -15 0
|
|---|
| 230 | nd1 1.404 127.173 12*x2 180. -.0975 13 8 10 -11 0
|
|---|
| 231 | hd1 1.02 125.913 0. .3951 4 9 0 0 0
|
|---|
| 232 | ce1 1.32 108.174 180. -.2901 9 -9 12 -13 0
|
|---|
| 233 | he1 1.09 125.5 180. .2356 2 11 0 0 0
|
|---|
| 234 | ne2 1.31 109. 0. -.0750 13 -11 14 15 0
|
|---|
| 235 | he2 1.02 125. 180. .3976 4 13 0 0 0
|
|---|
| 236 | cd2 1.36 110. 0. -.0351 9 13 -8 16 0
|
|---|
| 237 | hd2 1.09 126.5 180. .2231 2 15 0 0 0
|
|---|
| 238 | c 1.53 109.7 2*phi 180. .5672 8 3 -18 0 0
|
|---|
| 239 | o 1.24 120.95 180. -.5593 11 -17 0 0 0
|
|---|
| 240 | #hyp 15 14
|
|---|
| 241 | n 1.36 115. 3*psi 180. -.0198 13 0 2 11 0
|
|---|
| 242 | ca 1.453 121. 1*omg 180. -.0664 7 1 3 4 14
|
|---|
| 243 | ha 1.09 110.124 42.356 .0707 1 2 0 0 0
|
|---|
| 244 | cb 1.52 105. 162.578 -.1328 7 2 5 6 7
|
|---|
| 245 | hb1 1.09 111.001 139.235 .0727 1 4 0 0 0
|
|---|
| 246 | hb2 1.09 111.001 -101.895 .0727 1 4 0 0 0
|
|---|
| 247 | cg 1.52 105.9 18.67 .0379 7 4 8 9 11
|
|---|
| 248 | hg 1.09 112.058 -137.847 .0826 1 7 0 0 0
|
|---|
| 249 | od1 1.49 106. 99.18 -.5101 10 7 10 0 0
|
|---|
| 250 | hd1 1. 110. 5*xg 122.767 .3591 5 9 0 0 0
|
|---|
| 251 | cd2 1.52 107.9 -14.02 -.1238 7 7 12 13 1
|
|---|
| 252 | hd21 1.09 111.315 124.178 .0753 1 11 0 0 0
|
|---|
| 253 | hd22 1.09 111.315 -116.538 .0753 1 11 0 0 0
|
|---|
| 254 | c 1.53 111. -75. .5667 8 2 -15 0 0
|
|---|
| 255 | o 1.24 120.95 180. -.5601 11 -14 0 0 0
|
|---|
| 256 | #ile 19 18
|
|---|
| 257 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
|---|
| 258 | h 1. 122.97 0. .2023 4 1 0 0 0
|
|---|
| 259 | ca 1.47 120.93 1*omg 180. -.0678 7 1 4 5 18
|
|---|
| 260 | ha 1.09 109.433 -59.93 .0709 1 3 0 0 0
|
|---|
| 261 | cb 1.52 109.47 60. -.0601 7 3 6 7 11
|
|---|
| 262 | hb 1.09 109.47 -60. .0700 1 5 0 0 0
|
|---|
| 263 | cg2 1.52 109.47 60. -.2261 7 5 8 9 10
|
|---|
| 264 | hg21 1.09 109.47 4*x22 -60. .0734 1 7 0 0 0
|
|---|
| 265 | hg22 1.09 109.47 60. .0734 1 7 0 0 0
|
|---|
| 266 | hg23 1.09 109.47 180. .0734 1 7 0 0 0
|
|---|
| 267 | cg1 1.52 109.47 4*x1 180. -.1421 7 5 12 13 14
|
|---|
| 268 | hg11 1.09 109.47 -60. .0715 1 11 0 0 0
|
|---|
| 269 | hg12 1.09 109.47 60. .0715 1 11 0 0 0
|
|---|
| 270 | cd1 1.52 109.47 4*x21 180. -.2246 7 11 15 16 17
|
|---|
| 271 | hd11 1.09 109.47 4*x31 -60. .0737 1 14 0 0 0
|
|---|
| 272 | hd12 1.09 109.47 60. .0737 1 14 0 0 0
|
|---|
| 273 | hd13 1.09 109.47 180. .0737 1 14 0 0 0
|
|---|
| 274 | c 1.53 109.7 2*phi 180. .5678 8 3 -19 0 0
|
|---|
| 275 | o 1.24 120.95 180. -.5591 11 -18 0 0 0
|
|---|
| 276 | #leu 19 18
|
|---|
| 277 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
|---|
| 278 | h 1. 122.97 0. .2023 4 1 0 0 0
|
|---|
| 279 | ca 1.47 120.93 1*omg 180. -.0664 7 1 4 5 18
|
|---|
| 280 | ha 1.09 109.433 -59.93 .0711 1 3 0 0 0
|
|---|
| 281 | cb 1.52 109.47 60. -.1444 7 3 6 7 8
|
|---|
| 282 | hb1 1.09 109.47 -60. .0712 1 5 0 0 0
|
|---|
| 283 | hb2 1.09 109.47 60. .0712 1 5 0 0 0
|
|---|
| 284 | cg 1.52 109.47 4*x1 180. -.0579 7 5 9 10 14
|
|---|
| 285 | hg 1.09 109.47 60. .0702 1 8 0 0 0
|
|---|
| 286 | cd1 1.52 109.47 4*x2 180. -.2259 7 8 11 12 13
|
|---|
| 287 | hd11 1.09 109.47 4*x31 -60. .0735 1 10 0 0 0
|
|---|
| 288 | hd12 1.09 109.47 60. .0735 1 10 0 0 0
|
|---|
| 289 | hd13 1.09 109.47 180. .0735 1 10 0 0 0
|
|---|
| 290 | cd2 1.52 109.47 -60. -.2259 7 8 15 16 17
|
|---|
| 291 | hd21 1.09 109.47 4*x32 -60. .0735 1 14 0 0 0
|
|---|
| 292 | hd22 1.09 109.47 60. .0735 1 14 0 0 0
|
|---|
| 293 | hd23 1.09 109.47 180. .0735 1 14 0 0 0
|
|---|
| 294 | c 1.53 109.7 2*phi 180. .5680 8 3 -19 0 0
|
|---|
| 295 | o 1.24 120.95 180. -.5590 11 -18 0 0 0
|
|---|
| 296 | #lys 21 20
|
|---|
| 297 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
|---|
| 298 | h 1. 122.97 0. .2023 4 1 0 0 0
|
|---|
| 299 | ca 1.47 120.93 1*omg 180. -.0662 7 1 4 5 20
|
|---|
| 300 | ha 1.09 109.433 -59.93 .0711 1 3 0 0 0
|
|---|
| 301 | cb 1.52 109.47 60. -.1430 7 3 6 7 8
|
|---|
| 302 | hb1 1.09 109.47 -60. .0714 1 5 0 0 0
|
|---|
| 303 | hb2 1.09 109.47 60. .0714 1 5 0 0 0
|
|---|
| 304 | cg 1.52 109.47 4*x1 180. -.1412 7 5 9 10 11
|
|---|
| 305 | hg1 1.09 109.47 -60. .0717 1 8 0 0 0
|
|---|
| 306 | hg2 1.09 109.47 60. .0717 1 8 0 0 0
|
|---|
| 307 | cd 1.52 109.47 4*x2 180. -.1301 7 8 12 13 14
|
|---|
| 308 | hd1 1.09 109.47 -60. .0732 1 11 0 0 0
|
|---|
| 309 | hd2 1.09 109.47 60. .0732 1 11 0 0 0
|
|---|
| 310 | ce 1.52 109.47 4*x3 180. -.1034 7 11 15 16 17
|
|---|
| 311 | he1 1.09 109.47 -60. .0845 1 14 0 0 0
|
|---|
| 312 | he2 1.09 109.47 60. .0845 1 14 0 0 0
|
|---|
| 313 | nz 1.48 109.47 4*x4 180. -.6640 14 14 18 19 0
|
|---|
| 314 | hz1 1.02 120. 6*x5 180. .2897 3 17 0 0 0
|
|---|
| 315 | hz2 1.02 120. 0. .2897 3 17 0 0 0
|
|---|
| 316 | c 1.53 109.7 2*phi 180. .5680 8 3 -21 0 0
|
|---|
| 317 | o 1.24 120.95 180. -.5590 11 -20 0 0 0
|
|---|
| 318 | #lys+ 22 21
|
|---|
| 319 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
|---|
| 320 | h 1. 122.97 0. .2023 4 1 0 0 0
|
|---|
| 321 | ca 1.47 120.93 1*omg 180. -.0662 7 1 4 5 21
|
|---|
| 322 | ha 1.09 109.433 -59.93 .0711 1 3 0 0 0
|
|---|
| 323 | cb 1.52 109.47 60. -.1426 7 3 6 7 8
|
|---|
| 324 | hb1 1.09 109.47 -60. .0715 1 5 0 0 0
|
|---|
| 325 | hb2 1.09 109.47 60. .0715 1 5 0 0 0
|
|---|
| 326 | cg 1.52 109.47 4*x1 180. -.1386 7 5 9 10 11
|
|---|
| 327 | hg1 1.09 109.47 -60. .0720 1 8 0 0 0
|
|---|
| 328 | hg2 1.09 109.47 60. .0720 1 8 0 0 0
|
|---|
| 329 | cd 1.52 109.47 4*x2 180. -.1101 7 8 12 13 14
|
|---|
| 330 | hd1 1.09 109.47 -60. .0759 1 11 0 0 0
|
|---|
| 331 | hd2 1.09 109.47 60. .0759 1 11 0 0 0
|
|---|
| 332 | ce 1.52 109.47 4*x3 180. .2225 7 11 15 16 17
|
|---|
| 333 | he1 1.09 109.47 -60. .1049 1 14 0 0 0
|
|---|
| 334 | he2 1.09 109.47 60. .1049 1 14 0 0 0
|
|---|
| 335 | nz 1.48 109.47 4*x4 180. -.9253 13 14 18 19 20
|
|---|
| 336 | hz1 1.02 109.47 7*x5 180. .4816 3 17 0 0 0
|
|---|
| 337 | hz2 1.02 109.47 -60. .4816 3 17 0 0 0
|
|---|
| 338 | hz3 1.02 109.47 60. .4816 3 17 0 0 0
|
|---|
| 339 | c 1.53 109.7 2*phi 180. .5680 8 3 -22 0 0
|
|---|
| 340 | o 1.24 120.95 180. -.5590 11 -21 0 0 0
|
|---|
| 341 | #met 17 16
|
|---|
| 342 | n 1.32 115.41 3*psi 180. -.2154 13 0 2 3 0
|
|---|
| 343 | h 1. 122.97 0. .2023 4 1 0 0 0
|
|---|
| 344 | ca 1.47 120.93 1*omg 180. -.0659 7 1 4 5 16
|
|---|
| 345 | ha 1.09 109.433 -59.93 .0711 1 3 0 0 0
|
|---|
| 346 | cb 1.52 109.47 60. -.1409 7 3 6 7 8
|
|---|
| 347 | hb1 1.09 109.47 -60. .0717 1 5 0 0 0
|
|---|
| 348 | hb2 1.09 109.47 60. .0717 1 5 0 0 0
|
|---|
| 349 | cg 1.52 109.47 4*x1 180. -.1354 7 5 9 10 11
|
|---|
| 350 | hg1 1.09 109.47 -60. .0739 1 8 0 0 0
|
|---|
| 351 | hg2 1.09 109.47 60. .0739 1 8 0 0 0
|
|---|
| 352 | sd 1.82 109.47 4*x2 180. -.0296 16 8 12 0 0
|
|---|
| 353 | ce 1.82 120. 13*x3 180. -.2162 7 11 13 14 15
|
|---|
| 354 | he1 1.09 109.47 13*x4 -60. .0766 1 12 0 0 0
|
|---|
| 355 | he2 1.09 109.47 60. .0766 1 12 0 0 0
|
|---|
| 356 | he3 1.09 109.47 180. .0766 1 12 0 0 0
|
|---|
| 357 | c 1.53 109.7 2*phi 180. .5680 8 3 -17 0 0
|
|---|
| 358 | o 1.24 120.95 180. -.5590 11 -16 0 0 0
|
|---|
| 359 | #phe 20 19
|
|---|
| 360 | n 1.32 115.41 3*psi 180. -.2164 13 0 2 3 0
|
|---|
| 361 | h 1. 122.97 0. .2018 4 1 0 0 0
|
|---|
| 362 | ca 1.47 120.93 1*omg 180. -.0834 7 1 4 5 19
|
|---|
| 363 | ha 1.09 109.433 -59.93 .0692 1 3 0 0 0
|
|---|
| 364 | cb 1.52 109.47 60. -.0099 7 3 6 7 8
|
|---|
| 365 | hb1 1.09 109.47 -60. .0555 1 5 0 0 0
|
|---|
| 366 | hb2 1.09 109.47 60. .0555 1 5 0 0 0
|
|---|
| 367 | cg 1.52 109.47 4*x1 180. -.0644 9 5 -9 17 0
|
|---|
| 368 | cd1 1.37 120. 12*x2 180. -.1375 9 -8 10 11 0
|
|---|
| 369 | hd1 1.09 120. 0. .1313 2 9 0 0 0
|
|---|
| 370 | ce1 1.37 120. 180. -.1330 9 9 12 -13 0
|
|---|
| 371 | he1 1.09 120. 180. .1322 2 11 0 0 0
|
|---|
| 372 | cz 1.37 120. 0. -.1326 9 -11 14 15 0
|
|---|
| 373 | hz 1.09 120. 180. .1323 2 13 0 0 0
|
|---|
| 374 | ce2 1.37 120. 0. -.1330 9 13 16 -17 0
|
|---|
| 375 | he2 1.09 120. 180. .1322 2 15 0 0 0
|
|---|
| 376 | cd2 1.37 120. 0. -.1375 9 -15 18 8 0
|
|---|
| 377 | hd2 1.09 120. 180. .1313 2 17 0 0 0
|
|---|
| 378 | c 1.53 109.7 2*phi 180. .5660 8 3 -20 0 0
|
|---|
| 379 | o 1.24 120.95 180. -.5596 11 -19 0 0 0
|
|---|
| 380 | #pro 14 13
|
|---|
| 381 | n 1.36 115. 3*psi 180. -.0210 13 0 2 10 0
|
|---|
| 382 | ca 1.453 121. 1*omg 180. -.0681 7 1 3 4 13
|
|---|
| 383 | ha 1.09 110.124 42.356 .0704 1 2 0 0 0
|
|---|
| 384 | cb 1.52 105. 162.578 -.1437 7 2 5 6 7
|
|---|
| 385 | hb1 1.09 111.001 139.235 .0712 1 4 0 0 0
|
|---|
| 386 | hb2 1.09 111.001 -101.895 .0712 1 4 0 0 0
|
|---|
| 387 | cg 1.52 105.9 18.67 -.1409 7 4 8 9 10
|
|---|
| 388 | hg1 1.09 110.49 106.87 .0716 1 7 0 0 0
|
|---|
| 389 | hg2 1.09 110.49 -134.91 .0716 1 7 0 0 0
|
|---|
| 390 | cd 1.52 107.9 -14.02 -.1355 7 7 11 12 1
|
|---|
| 391 | hd1 1.09 111.315 124.178 .0738 1 10 0 0 0
|
|---|
| 392 | hd2 1.09 111.315 -116.538 .0738 1 10 0 0 0
|
|---|
| 393 | c 1.53 111. -75. .5661 8 2 -14 0 0
|
|---|
| 394 | o 1.24 120.95 180. -.5605 11 -13 0 0 0
|
|---|
| 395 | #ser 11 10
|
|---|
| 396 | n 1.32 115.41 3*psi 180. -.2145 13 0 2 3 0
|
|---|
| 397 | h 1. 122.97 0. .2027 4 1 0 0 0
|
|---|
| 398 | ca 1.47 120.93 1*omg 180. -.0506 7 1 4 5 10
|
|---|
| 399 | ha 1.09 109.433 -59.93 .0728 1 3 0 0 0
|
|---|
| 400 | cb 1.52 109.47 60. -.0486 7 3 6 7 8
|
|---|
| 401 | hb1 1.09 109.47 -60. .0859 1 5 0 0 0
|
|---|
| 402 | hb2 1.09 109.47 60. .0859 1 5 0 0 0
|
|---|
| 403 | og 1.43 109.47 4*x1 180. -.5054 10 5 9 0 0
|
|---|
| 404 | hg .97 107. 5*x2 180. .3604 5 8 0 0 0
|
|---|
| 405 | c 1.53 109.7 2*phi 180. .5698 8 3 -11 0 0
|
|---|
| 406 | o 1.24 120.95 180. -.5584 11 -10 0 0 0
|
|---|
| 407 | #thr 14 13
|
|---|
| 408 | n 1.32 115.41 3*psi 180. -.2147 13 0 2 3 0
|
|---|
| 409 | h 1. 122.97 0. .2026 4 1 0 0 0
|
|---|
| 410 | ca 1.47 120.93 1*omg 180. -.0541 7 1 4 5 13
|
|---|
| 411 | ha 1.09 109.433 -59.93 .0724 1 3 0 0 0
|
|---|
| 412 | cb 1.52 109.47 60. .0375 7 3 6 7 9
|
|---|
| 413 | hb 1.09 109.47 -60. .0827 1 5 0 0 0
|
|---|
| 414 | og1 1.43 109.47 4*x1 180. -.5091 10 5 8 0 0
|
|---|
| 415 | hg1 .97 107. 5*x21 180. .3597 5 7 0 0 0
|
|---|
| 416 | cg2 1.52 109.47 60. -.2140 7 5 10 11 12
|
|---|
| 417 | hg21 1.09 109.47 4*x22 60. .0754 1 9 0 0 0
|
|---|
| 418 | hg22 1.09 109.47 -60. .0754 1 9 0 0 0
|
|---|
| 419 | hg23 1.09 109.47 180. .0754 1 9 0 0 0
|
|---|
| 420 | c 1.53 109.7 2*phi 180. .5694 8 3 -14 0 0
|
|---|
| 421 | o 1.24 120.95 180. -.5586 11 -13 0 0 0
|
|---|
| 422 | #trp 24 23
|
|---|
| 423 | n 1.32 115.41 3*psi 180. -.2164 13 0 2 3 0
|
|---|
| 424 | h 1. 122.97 0. .2018 4 1 0 0 0
|
|---|
| 425 | ca 1.47 120.93 1*omg 180. -.0834 7 1 4 5 23
|
|---|
| 426 | ha 1.09 109.433 -59.93 .0692 1 3 0 0 0
|
|---|
| 427 | cb 1.52 109.47 60. -.0101 7 3 6 7 8
|
|---|
| 428 | hb1 1.09 109.47 -60. .0555 1 5 0 0 0
|
|---|
| 429 | hb2 1.09 109.47 60. .0555 1 5 0 0 0
|
|---|
| 430 | cg 1.54 109.47 4*x1 180. -.1137 9 5 -9 22 0
|
|---|
| 431 | cd1 1.37 126.5 12*x2 180. -.0999 9 -8 10 11 0
|
|---|
| 432 | hd1 1.09 125.89 0. .1320 2 9 0 0 0
|
|---|
| 433 | ne1 1.39 108.22 180. -.2115 13 9 12 13 0
|
|---|
| 434 | he1 1.02 125.22 180. .2480 4 11 0 0 0
|
|---|
| 435 | ce2 1.39 109.56 0. .0276 9 11 14 -22 0
|
|---|
| 436 | cz2 1.37 131.78 180. -.1497 9 13 15 -16 0
|
|---|
| 437 | hz2 1.09 120. 0. .1320 2 14 0 0 0
|
|---|
| 438 | ch2 1.37 120. 180. -.1392 9 -14 17 18 0
|
|---|
| 439 | hh2 1.09 120. 180. .1323 2 16 0 0 0
|
|---|
| 440 | cz3 1.37 120. 0. -.1437 9 16 19 -20 0
|
|---|
| 441 | hz3 1.09 120. 180. .1323 2 18 0 0 0
|
|---|
| 442 | ce3 1.37 120. 0. -.1419 9 -18 21 22 0
|
|---|
| 443 | he3 1.09 120. 180. .1319 2 20 0 0 0
|
|---|
| 444 | cd2 1.37 120. 0. -.0150 9 20 8 -13 0
|
|---|
| 445 | c 1.53 109.7 2*phi 180. .5660 8 3 -24 0 0
|
|---|
| 446 | o 1.24 120.95 180. -.5596 11 -23 0 0 0
|
|---|
| 447 | #tyr 21 20
|
|---|
| 448 | n 1.32 115.41 3*psi 180. -.2164 13 0 2 3 0
|
|---|
| 449 | h 1. 122.97 0. .2018 4 1 0 0 0
|
|---|
| 450 | ca 1.47 120.93 1*omg 180. -.0834 7 1 4 5 20
|
|---|
| 451 | ha 1.09 109.433 -59.93 .0692 1 3 0 0 0
|
|---|
| 452 | cb 1.52 109.47 60. -.0099 7 3 6 7 8
|
|---|
| 453 | hb1 1.09 109.47 -60. .0555 1 5 0 0 0
|
|---|
| 454 | hb2 1.09 109.47 60. .0555 1 5 0 0 0
|
|---|
| 455 | cg 1.52 109.47 4*x1 180. -.0643 9 5 -9 18 0
|
|---|
| 456 | cd1 1.37 120. 12*x2 180. -.1371 9 -8 10 11 0
|
|---|
| 457 | hd1 1.09 120. 0. .1313 2 9 0 0 0
|
|---|
| 458 | ce1 1.37 120. 180. -.1297 9 9 12 -13 0
|
|---|
| 459 | he1 1.09 120. 180. .1330 2 11 0 0 0
|
|---|
| 460 | cz 1.37 120. 0. .0813 9 -11 14 16 0
|
|---|
| 461 | oh 1.38 120. 180. -.4579 10 13 15 0 0
|
|---|
| 462 | hh .97 107. 15*x6 180. .3672 5 14 0 0 0
|
|---|
| 463 | ce2 1.37 120. 0. -.1297 9 13 17 -18 0
|
|---|
| 464 | he2 1.09 120. 180. .1330 2 16 0 0 0
|
|---|
| 465 | cd2 1.37 120. 0. -.1371 9 -16 19 8 0
|
|---|
| 466 | hd2 1.09 120. 180. .1313 2 18 0 0 0
|
|---|
| 467 | c 1.53 109.7 2*phi 180. .5660 8 3 -21 0 0
|
|---|
| 468 | o 1.24 120.95 180. -.5596 11 -20 0 0 0
|
|---|
| 469 | #val 16 15
|
|---|
| 470 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
|---|
| 471 | h 1. 122.97 0. .2023 4 1 0 0 0
|
|---|
| 472 | ca 1.47 120.93 1*omg 180. -.0675 7 1 4 5 15
|
|---|
| 473 | ha 1.09 109.433 -59.93 .0709 1 3 0 0 0
|
|---|
| 474 | cb 1.52 109.47 60. -.0583 7 3 6 7 11
|
|---|
| 475 | hb 1.09 109.47 60. .0702 1 5 0 0 0
|
|---|
| 476 | cg1 1.52 109.47 4*x1 180. -.2259 7 5 8 9 10
|
|---|
| 477 | hg11 1.09 109.47 4*x21 -60. .0735 1 7 0 0 0
|
|---|
| 478 | hg12 1.09 109.47 60. .0735 1 7 0 0 0
|
|---|
| 479 | hg13 1.09 109.47 180. .0735 1 7 0 0 0
|
|---|
| 480 | cg2 1.52 109.47 -60. -.2259 7 5 12 13 14
|
|---|
| 481 | hg21 1.09 109.47 4*x22 -60. .0735 1 11 0 0 0
|
|---|
| 482 | hg22 1.09 109.47 60. .0735 1 11 0 0 0
|
|---|
| 483 | hg23 1.09 109.47 180. .0735 1 11 0 0 0
|
|---|
| 484 | c 1.53 109.7 2*phi 180. .5678 8 3 -16 0 0
|
|---|
| 485 | o 1.24 120.95 180. -.5591 11 -15 0 0 0
|
|---|
| 486 | #nh1 2 1 # only for Pro & Hyp
|
|---|
| 487 | n 1.47 109.7 180. .0 13 0 2 0 0
|
|---|
| 488 | h 1.02 123.491 -75.02 .0 4 1 0 0 0
|
|---|
| 489 | #nh2 3 1
|
|---|
| 490 | n 1.47 109.7 3*psi 180. .0 14 0 2 3 0
|
|---|
| 491 | h1 1.02 120. 6*phi 180. .0 4 1 0 0 0
|
|---|
| 492 | h2 1.02 120. 0. .0 4 1 0 0 0
|
|---|
| 493 | #nh2+ 3 1 # only for Pro & Hyp
|
|---|
| 494 | n 1.47 109.7 180. .0 13 0 2 3 0
|
|---|
| 495 | h1 1.02 109.208 -133.247 .0 3 1 0 0 0
|
|---|
| 496 | h2 1.02 109.208 -16.793 .0 3 1 0 0 0
|
|---|
| 497 | #nh3+ 4 1
|
|---|
| 498 | n 1.47 109.7 3*psi 180. .0 13 0 2 3 4
|
|---|
| 499 | h1 1.02 109.47 7*phi 180. .0 3 1 0 0 0
|
|---|
| 500 | h2 1.02 109.47 60. .0 3 1 0 0 0
|
|---|
| 501 | h3 1.02 109.47 -60. .0 3 1 0 0 0
|
|---|
| 502 | #cooh 4 1
|
|---|
| 503 | c 1.53 109.7 2*phi 180. .0 8 0 -2 3 0
|
|---|
| 504 | o 1.24 120.95 0. .0 11 -1 0 0 0
|
|---|
| 505 | oxt 1.29 115. 9*pst 180. .0 10 1 4 0 0
|
|---|
| 506 | hxt .97 107. 16*omt 180. .0 5 3 0 0 0
|
|---|
| 507 | #coo- 3 1
|
|---|
| 508 | c 1.53 109.7 2*phi 180. .0 9 0 -2 -3 0
|
|---|
| 509 | o 1.24 120. 0. .0 12 -1 0 0 0
|
|---|
| 510 | oxt 1.24 120. 10*pst 180. .0 12 -1 0 0 0
|
|---|
