#ala 10 9 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 9 ha 1.09 107.73 -61.698 .02 1 3 0 0 0 cb 1.53 109.5 56.472 -.09 7 3 6 7 8 hb1 1.09 109.47 4*x1 180. .04 1 5 0 0 0 hb2 1.09 109.47 -60. .04 1 5 0 0 0 hb3 1.09 109.47 60. .04 1 5 0 0 0 c 1.53 109.3 2*phi 180. .45 8 3 -10 0 0 o 1.23 120.5 180. -.384 11 -9 0 0 0 #arg 23 22 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 22 ha 1.09 104.813 -60.35 .02 1 3 0 0 0 cb 1.53 111.1 58.763 -.03 7 3 6 7 8 hb1 1.09 109.689 -58.624 .015 1 5 0 0 0 hb2 1.09 109.689 58.624 .015 1 5 0 0 0 cg 1.53 111. 4*x1 180. -.03 7 5 9 10 11 hg1 1.09 109.689 -58.624 .03 1 8 0 0 0 hg2 1.09 109.689 58.624 .03 1 8 0 0 0 cd 1.53 111. 4*x2 180. .1 7 8 12 13 14 hd1 1.09 109.949 -58.778 .01 1 11 0 0 0 hd2 1.09 109.949 58.778 .01 1 11 0 0 0 ne 1.48 110. 4*x3 180. -.35 13 11 15 16 0 he 1. 117.95 0. .17 4 14 0 0 0 cz 1.35 124.1 8*x4 180. .48 9 14 -17 19 0 nh1 1.32 119. 17*x5 0. -.42 15 -16 18 0 0 hh1 1. 124. 180. .09 3 17 0 0 0 nh2 1.35 120.5 180. -.41 14 16 20 21 0 hh21 1. 120. 18*x6 180. .16 4 19 0 0 0 hh22 1. 120. 0. .16 4 19 0 0 0 c 1.53 110.3 2*phi 180. .45 8 3 -23 0 0 o 1.23 120.5 180. -.384 11 -22 0 0 0 #arg+ 24 23 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 23 ha 1.09 104.813 -60.35 .02 1 3 0 0 0 cb 1.53 111.1 58.763 -.03 7 3 6 7 8 hb1 1.09 109.689 -58.624 .015 1 5 0 0 0 hb2 1.09 109.689 58.624 .015 1 5 0 0 0 cg 1.53 111. 4*x1 180. -.03 7 5 9 10 11 hg1 1.09 109.689 -58.624 .03 1 8 0 0 0 hg2 1.09 109.689 58.624 .03 1 8 0 0 0 cd 1.53 111. 4*x2 180. .12 7 8 12 13 14 hd1 1.09 109.949 -58.778 .01 1 11 0 0 0 hd2 1.09 109.949 58.778 .01 1 11 0 0 0 ne 1.48 110. 4*x3 180. -.3 13 11 15 16 0 he 1. 117.95 0. .23 4 14 0 0 0 cz 1.34 124.1 8*x4 180. .58 9 14 -17 -20 0 nh1 1.34 120. 17*x5 0. -.39 13 -16 18 19 0 hh11 1. 120. 18*x61 180. .28 4 17 0 0 0 hh12 1. 120. 0. .28 4 17 0 0 0 nh2 1.34 120. 180. -.39 13 -16 21 22 0 hh21 1. 120. 18*x62 180. .28 4 20 0 0 0 hh22 1. 120. 0. .28 4 20 0 0 0 c 1.53 110.3 2*phi 180. .45 8 3 -24 0 0 o 1.23 120.5 180. -.384 11 -23 0 0 0 #asn 14 13 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 13 ha 1.09 105.311 -58.981 .02 1 3 0 0 0 cb 1.53 111. 60.978 -.12 7 3 6 7 8 hb1 1.09 109.689 -58.624 .055 1 5 0 0 0 hb2 1.09 109.689 58.624 .055 1 5 0 0 0 cg 1.53 111. 4*x1 180. .46 8 5 -9 10 0 od1 1.22 122. 11*x2 180. -.375 11 -8 0 0 0 nd2 1.33 114. 0. -.445 14 8 11 12 0 hd21 1. 120. 19*x3 0. .2 4 10 0 0 0 hd22 1. 120. 180. .2 4 10 0 0 0 c 1.53 109.3 2*phi 180. .45 8 3 -14 0 0 o 1.23 120.5 180. -.384 11 -13 0 0 0 #asp 13 12 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 12 ha 1.09 105.238 -58.978 .02 1 3 0 0 0 cb 1.53 111.1 60.917 -.1 7 3 6 7 8 hb1 1.09 108.639 -58.033 .06 1 5 0 0 0 hb2 1.09 108.639 58.033 .06 1 5 0 0 0 cg 1.53 115. 4*x1 180. .5 8 5 -9 10 0 od1 1.24 121. 9*x2 180. -.36 11 -8 0 0 0 od2 1.29 115. 0. -.35 10 8 11 0 0 hd2 1. 110. 16*x3 180. .22 5 10 0 0 0 c 1.53 109.3 2*phi 180. .45 8 3 -13 0 0 o 1.23 120.5 180. -.384 11 -12 0 0 0 #asp- 12 11 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. -.06 7 1 4 5 11 ha 1.09 105.238 -58.978 .024 1 3 0 0 0 cb 1.53 111.1 60.917 -.17 7 3 6 7 8 hb1 1.09 109.692 -58.622 -.02 1 5 0 0 0 hb2 1.09 109.688 58.624 -.02 1 5 0 0 0 cg 1.53 115. 4*x1 180. .5 8 5 -9 -10 0 od1 1.25 117. 10*x2 180. -.57 12 -8 0 0 0 od2 1.25 117. 0. -.57 12 -8 0 0 0 c 1.53 109.3 2*phi 180. .45 8 3 -12 0 0 o 1.23 120.5 180. -.384 11 -11 0 0 0 #cys 11 10 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 10 ha 1.09 106.692 -60.68 .02 1 3 0 0 0 cb 1.53 111.7 56.329 -.105 7 3 6 7 8 hb1 1.09 109.949 -58.778 .055 1 5 0 0 0 hb2 1.09 109.949 58.778 .055 1 5 0 0 0 sg 1.83 110. 4*x1 180. .015 16 5 9 0 0 hg 1.33 96. 14*x2 180. .01 6 8 0 0 0 c 1.53 108.3 2*phi 180. .45 8 3 -11 0 0 o 1.23 120.5 180. -.384 11 -10 0 0 0 #cyss 10 9 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 9 ha 1.09 106.692 -60.68 .02 1 3 0 0 0 cb 1.53 111.7 56.329 -.09 7 3 6 7 8 hb1 1.09 108.692 -58.061 .055 1 5 0 0 0 hb2 1.09 108.692 58.061 .055 1 5 0 0 0 sg 1.83 114.8 4*x1 180. .01 16 5 0 0 0 c 1.53 108.3 2*phi 180. .45 8 3 -10 0 0 o 1.23 120.5 180. -.384 11 -9 0 0 0 #gln 17 16 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 16 ha 1.09 105.412 -61.482 .02 1 3 0 0 0 cb 1.53 111. 56.545 -.03 7 3 6 7 8 hb1 1.09 109.689 -58.624 .02 1 5 0 0 0 hb2 1.09 109.689 58.624 .02 1 5 0 0 0 cg 1.53 111. 4*x1 180. -.11 7 5 9 10 11 hg1 1.09 109.689 -58.624 .05 1 8 0 0 0 hg2 1.09 109.689 58.624 .05 1 8 0 0 0 cd 1.53 111. 4*x2 180. .47 8 8 -12 13 0 oe1 1.22 122. 11*x3 180. -.38 11 -11 0 0 0 ne2 1.33 114. 0. -.43 14 11 14 15 0 he21 1. 120. 19*x4 0. .185 4 13 0 0 0 he22 1. 120. 180. .185 4 13 0 0 0 c 1.53 110.3 2*phi 180. .45 8 3 -17 0 0 o 1.23 120.5 180. -.384 11 -16 0 0 0 #glu 16 15 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 15 ha 1.09 105.412 -61.482 .02 1 3 0 0 0 cb 1.53 111. 56.545 -.03 7 3 6 7 8 hb1 1.09 109.689 -58.624 .03 1 5 0 0 0 hb2 1.09 109.689 58.624 .03 1 5 0 0 0 cg 1.53 111. 4*x1 180. -.11 7 5 9 10 11 hg1 1.09 109.689 -58.624 .055 1 8 0 0 0 hg2 1.09 109.689 58.624 .055 1 8 0 0 0 cd 1.53 111. 4*x2 180. .5 8 8 -12 13 0 oe1 1.24 120. 9*x3 180. -.36 11 -11 0 0 0 oe2 1.29 115. 0. -.35 10 11 14 0 0 he2 1. 110. 16*x4 180. .21 5 13 0 0 0 c 1.53 110.3 2*phi 180. .45 8 3 -16 0 0 o 1.23 120.5 180. -.384 11 -15 0 0 0 #glu- 15 14 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 14 ha 1.09 105.412 -61.482 .02 1 3 0 0 0 cb 1.53 111. 56.545 -.12 7 3 6 7 8 hb1 1.09 109.689 -58.624 .02 1 5 0 0 0 hb2 1.09 109.689 58.624 .02 1 5 0 0 0 cg 1.53 111. 4*x1 180. -.17 7 5 9 10 11 hg1 1.09 109.689 -58.624 -.04 1 8 0 0 0 hg2 1.09 109.689 58.624 -.04 1 8 0 0 0 cd 1.53 111. 4*x2 180. .5 8 8 -12 -13 0 oe1 1.25 117. 10*x3 180. -.57 12 -11 0 0 0 oe2 1.25 117. 0. -.57 12 -11 0 0 0 c 1.53 110.3 2*phi 180. .45 8 3 -15 0 0 o 1.23 120.5 180. -.384 11 -14 0 0 0 #gly 7 6 n 1.325 115. 3*psi 180. -.344 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. -.008 7 1 4 5 6 ha1 1.09 109.689 -58.624 .055 1 3 0 0 0 ha2 1.09 109.689 58.624 .055 1 3 0 0 0 c 1.53 111. 2*phi 180. .45 8 3 -7 0 0 o 1.23 120.5 180. -.384 11 -6 0 0 0 #his 17 16 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 16 ha 1.09 106.677 -62.135 .02 1 3 0 0 0 cb 1.53 110.8 54.88 -.04 7 3 6 7 8 hb1 1.09 108.903 -58.177 .015 1 5 0 0 0 hb2 1.09 108.903 58.177 .015 1 5 0 0 0 cg 1.51 114. 4*x1 180. .055 9 5 9 -14 0 nd1 1.384 122.8 12*x2 180. -.25 13 8 10 11 0 hd1 1. 125.8 0. .15 4 9 0 0 0 ce1 1.325 108.4 180. .19 9 9 12 -13 0 he1 1.09 126. 180. .02 2 11 0 0 0 ne2 1.364 108. 0. -.24 15 -11 14 0 0 cd2 1.327 108.8 0. .08 9 13 -8 15 0 hd2 1.09 125.8 180. .035 2 14 0 0 0 c 1.53 109.6 2*phi 180. .45 8 3 -17 0 0 o 1.23 120.5 180. -.384 11 -16 0 0 0 #hise 17 16 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 16 ha 1.09 106.677 -62.135 .02 1 3 0 0 0 cb 1.53 110.8 54.88 -.075 7 3 6 7 8 hb1 1.09 108.903 -58.177 .04 1 5 0 0 0 hb2 1.09 108.903 58.177 .04 1 5 0 0 0 cg 1.51 114. 4*x1 180. .1 9 5 9 -14 0 nd1 1.384 122.8 12*x2 180. -.23 15 8 -10 0 0 ce1 1.325 108.4 180. .182 9 -9 11 12 0 he1 1.09 126. 180. .01 2 10 0 0 0 ne2 1.364 108. 0. -.255 13 10 13 14 0 he2 1. 125.6 180. .144 4 12 0 0 0 cd2 1.327 108.8 0. .054 9 12 -8 15 0 hd2 1.09 125.8 180. .02 2 14 0 0 0 c 1.53 109.6 2*phi 180. .45 8 3 -17 0 0 o 1.23 120.5 180. -.384 11 -16 0 0 0 #his+ 18 17 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 17 ha 1.09 106.677 -62.135 .02 1 3 0 0 0 cb 1.53 110.8 54.88 -.05 7 3 6 7 8 hb1 1.09 108.903 -58.177 .065 1 5 0 0 0 hb2 1.09 108.903 58.177 .065 1 5 0 0 0 cg 1.51 114. 4*x1 180. .015 9 5 9 -15 0 nd1 1.384 122.8 12*x2 180. -.2 13 8 10 -11 0 hd1 1. 125.8 0. .275 4 9 0 0 0 ce1 1.325 108.4 180. .275 9 -9 12 -13 0 he1 1.09 126. 180. .15 2 11 0 0 0 ne2 1.364 108. 0. -.2 13 -11 14 15 0 he2 1. 125.6 180. .265 4 13 0 0 0 cd2 1.327 108.8 0. .1 9 13 -8 16 0 hd2 1.09 125.8 180. .135 2 15 0 0 0 c 1.53 109.6 2*phi 180. .45 8 3 -18 0 0 o 1.23 120.5 180. -.384 11 -17 0 0 0 #hyp 15 14 n 1.34 118. 3*psi 180. -.297 13 0 2 11 0 ca 1.465 121. 1*omg 180. .056 7 1 3 4 14 ha 1.09 110.203 47.968 .022 1 2 0 0 0 cb 1.53 103.7 170.328 -.058 7 2 5 6 7 hb1 1.09 111.558 147.595 .031 1 4 0 0 0 hb2 1.09 111.558 -92.795 .031 1 4 0 0 0 cg 1.502 103.7 27.4 .176 7 4 8 9 11 hg 1.09 112.126 90.019 .006 1 7 0 0 0 od1 1.414 111.9 -153.759 -.323 10 7 10 0 0 hd1 1. 110. 5*x 122.767 .167 5 9 0 0 0 cd2 1.501 105.3 -35.6 .065 18 7 12 13 1 hd21 1.09 111.633 149.444 .022 17 11 0 0 0 hd22 1.09 111.633 -90.844 .022 17 11 0 0 0 c 1.52 112.3 -68.8 .455 8 2 -15 0 0 o 1.23 120.5 180. -.377 11 -14 0 0 0 #hypu 15 14 n 1.34 118. 3*psi 180. -.297 13 0 2 11 0 ca 1.465 127.3 1*omg 180. .056 7 1 3 4 14 ha 1.09 110.135 63.902 .022 1 2 0 0 0 cb 1.53 103.7 -173.631 -.058 7 2 5 6 7 hb1 1.09 111.633 92.044 .031 1 4 0 0 0 hb2 1.09 111.633 -148.244 .031 1 4 0 0 0 cg 1.524 103.4 -28.1 .176 7 4 8 9 11 hg 1.09 113.823 166.876 .006 1 7 0 0 0 od1 1.414 111.9 -76.639 -.323 10 7 10 0 0 hd1 1. 110. 5*x 122.767 .167 5 9 0 0 0 cd2 1.52 102.9 39.3 .065 18 7 12 13 1 hd21 1.09 111.783 85.141 .022 17 11 0 0 0 hd22 1.09 111.783 -154.941 .022 17 11 0 0 0 c 1.52 112.3 -53. .455 8 2 -15 0 0 o 1.23 120.5 180. -.377 11 -14 0 0 0 #ile 19 18 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 18 ha 1.09 107.443 -62.498 .02 1 3 0 0 0 cb 1.53 110.5 54.154 -.005 7 3 6 7 11 hb 1.09 108.26 -62.625 .025 1 5 0 0 0 cg2 1.53 111. 54.749 -.075 7 5 8 9 10 hg21 1.09 109.47 4*x22 -60. .025 1 7 0 0 0 hg22 1.09 109.47 60. .025 1 7 0 0 0 hg23 1.09 109.47 180. .025 1 7 0 0 0 cg1 1.53 111. 4*x1 180. -.02 7 5 12 13 14 hg11 1.09 109.689 -58.624 .015 1 11 0 0 0 hg12 1.09 109.689 58.624 .015 1 11 0 0 0 cd1 1.53 111. 4*x21 180. -.075 7 11 15 16 17 hd11 1.09 109.47 4*x31 -60. .025 1 14 0 0 0 hd12 1.09 109.47 60. .025 1 14 0 0 0 hd13 1.09 109.47 180. .025 1 14 0 0 0 c 1.53 109.3 2*phi 180. .45 8 3 -19 0 0 o 1.23 120.5 180. -.384 11 -18 0 0 0 #leu 19 18 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 18 ha 1.09 107.443 -62.498 .02 1 3 0 0 0 cb 1.53 110.5 54.154 -.03 7 3 6 7 8 hb1 1.09 108.373 -57.891 .022 1 5 0 0 0 hb2 1.09 108.373 57.891 .022 1 5 0 0 0 cg 1.53 116. 4*x1 180. -.011 7 5 9 10 14 hg 1.09 108.26 62.625 .025 1 8 0 0 0 cd1 1.53 111. 4*x2 180. -.074 7 8 11 12 13 hd11 1.09 109.47 4*x31 -60. .025 1 10 0 0 0 hd12 1.09 109.47 60. .025 1 10 0 0 0 hd13 1.09 109.47 180. .025 1 10 0 0 0 cd2 1.53 111. -54.749 -.074 7 8 15 16 17 hd21 1.09 109.47 4*x32 -60. .025 1 14 0 0 0 hd22 1.09 109.47 60. .025 1 14 0 0 0 hd23 1.09 109.47 180. .025 1 14 0 0 0 c 1.53 109.3 2*phi 180. .45 8 3 -19 0 0 o 1.23 120.5 180. -.384 11 -18 0 0 0 #lys 21 20 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 20 ha 1.09 107.443 -62.498 .02 1 3 0 0 0 cb 1.53 110.5 54.154 -.03 7 3 6 7 8 hb1 1.09 109.689 -58.624 .015 1 5 0 0 0 hb2 1.09 109.689 58.624 .015 1 5 0 0 0 cg 1.53 111. 4*x1 180. -.025 7 5 9 10 11 hg1 1.09 109.689 -58.624 .02 1 8 0 0 0 hg2 1.09 109.689 58.624 .02 1 8 0 0 0 cd 1.53 111. 4*x2 180. -.03 7 8 12 13 14 hd1 1.09 109.689 -58.624 .02 1 11 0 0 0 hd2 1.09 109.689 58.624 .02 1 11 0 0 0 ce 1.53 111. 4*x3 180. .11 7 11 15 16 17 he1 1.09 109.819 -58.701 -.005 1 14 0 0 0 he2 1.09 109.819 58.701 -.005 1 14 0 0 0 nz 1.48 110.5 4*x4 180. -.395 14 14 18 19 0 hz1 1.014 112. 6*x5 180. .15 3 17 0 0 0 hz2 1.014 112. -60. .15 3 17 0 0 0 c 1.53 109.3 2*phi 180. .45 8 3 -21 0 0 o 1.23 120.5 180. -.384 11 -20 0 0 0 #lys+ 22 21 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 21 ha 1.09 107.443 -62.498 .02 1 3 0 0 0 cb 1.53 110.5 54.154 -.03 7 3 6 7 8 hb1 1.09 109.689 -58.624 .015 1 5 0 0 0 hb2 1.09 109.689 58.624 .015 1 5 0 0 0 cg 1.53 111. 4*x1 180. -.025 7 5 9 10 11 hg1 1.09 109.689 -58.624 .02 1 8 0 0 0 hg2 1.09 109.689 58.624 .02 1 8 0 0 0 cd 1.53 111. 4*x2 180. -.115 7 8 12 13 14 hd1 1.09 109.689 -58.624 .1 1 11 0 0 0 hd2 1.09 109.689 58.624 .1 1 11 0 0 0 ce 1.53 111. 4*x3 180. .05 7 11 15 16 17 he1 1.09 109.819 -58.701 .12 1 14 0 0 0 he2 1.09 109.819 58.701 .12 1 14 0 0 0 nz 1.48 110.5 4*x4 180. -.32 13 14 18 19 20 hz1 1.014 109.47 7*x5 180. .32 3 17 0 0 0 hz2 1.014 109.47 -60. .32 3 17 0 0 0 hz3 1.014 109.47 60. .32 3 17 0 0 0 c 1.53 109.3 2*phi 180. .45 8 3 -22 0 0 o 1.23 120.5 180. -.384 11 -21 0 0 0 #met 17 16 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 16 ha 1.09 105.576 -60.996 .02 1 3 0 0 0 cb 1.53 109.5 58.986 -.01 7 3 6 7 8 hb1 1.09 109.689 -58.624 .03 1 5 0 0 0 hb2 1.09 109.689 58.624 .03 1 5 0 0 0 cg 1.53 111. 4*x1 180. -.12 7 5 9 10 11 hg1 1.09 109.949 -58.778 .045 1 8 0 0 0 hg2 1.09 109.949 58.778 .045 1 8 0 0 0 sd 1.785 110. 4*x2 180. .035 16 8 12 0 0 ce 1.785 100. 13*x3 180. -.19 7 11 13 14 15 he1 1.09 109.47 13*x4 -60. .055 1 12 0 0 0 he2 1.09 109.47 60. .055 1 12 0 0 0 he3 1.09 109.47 180. .055 1 12 0 0 0 c 1.53 111. 2*phi 180. .45 8 3 -17 0 0 o 1.23 120.5 180. -.384 11 -16 0 0 0 #phe 20 19 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 19 ha 1.09 107.263 -60.574 .02 1 3 0 0 0 cb 1.53 107. 61.182 -.04 7 3 6 7 8 hb1 1.09 108.903 -58.177 .025 1 5 0 0 0 hb2 1.09 108.903 58.177 .025 1 5 0 0 0 cg 1.53 114. 4*x1 180. .02 9 5 -9 17 0 cd1 1.36 120. 12*x2 180. -.015 9 -8 10 11 0 hd1 1.09 120. 0. .01 2 9 0 0 0 ce1 1.42 120. 180. -.015 9 9 12 -13 0 he1 1.09 120. 180. .01 2 11 0 0 0 cz 1.36 120. 0. .015 9 -11 14 15 0 hz 1.09 120. 180. .005 2 13 0 0 0 ce2 1.36 120. 0. -.015 9 13 16 -17 0 he2 1.09 120. 180. .01 2 15 0 0 0 cd2 1.42 120. 0. -.015 9 -15 18 8 0 hd2 1.09 120. 180. .01 2 17 0 0 0 c 1.53 111. 2*phi 180. .45 8 3 -20 0 0 o 1.23 120.5 180. -.384 11 -19 0 0 0 #cpro 14 13 n 1.34 118. 3*psi 180. -.297 13 0 2 10 0 ca 1.465 127.3 1*omg 0. .057 7 1 3 4 13 ha 1.09 110.203 47.968 .021 1 2 0 0 0 cb 1.53 103.7 170.328 -.026 7 2 5 6 7 hb1 1.09 111.558 147.595 .023 1 4 0 0 0 hb2 1.09 111.558 -92.795 .023 1 4 0 0 0 cg 1.502 103.7 27.4 -.034 7 4 8 9 10 hg1 1.09 111.154 84.865 .025 1 7 0 0 0 hg2 1.09 111.154 -156.065 .025 1 7 0 0 0 cd 1.501 105.3 -35.6 .095 18 7 11 12 1 hd1 1.09 111.633 149.444 .005 17 10 0 0 0 hd2 1.09 111.633 -90.844 .005 17 10 0 0 0 c 1.52 112.3 -68.8 .456 8 2 -14 0 0 o 1.23 120.5 180. -.38 11 -13 0 0 0 #pro 14 13 n 1.34 118. 3*psi 180. -.297 13 0 2 10 0 ca 1.465 121. 1*omg 180. .057 7 1 3 4 13 ha 1.09 110.203 47.968 .021 1 2 0 0 0 cb 1.53 103.7 170.328 -.026 7 2 5 6 7 hb1 1.09 111.558 147.595 .023 1 4 0 0 0 hb2 1.09 111.558 -92.795 .023 1 4 0 0 0 cg 1.502 103.7 27.4 -.034 7 4 8 9 10 hg1 1.09 111.154 84.865 .025 1 7 0 0 0 hg2 1.09 111.154 -156.065 .025 1 7 0 0 0 cd 1.501 105.3 -35.6 .095 18 7 11 12 1 hd1 1.09 111.633 149.444 .005 17 10 0 0 0 hd2 1.09 111.633 -90.844 .005 17 10 0 0 0 c 1.52 112.3 -68.8 .456 8 2 -14 0 0 o 1.23 120.5 180. -.38 11 -13 0 0 0 #cpru 14 13 n 1.34 118. 3*psi 180. -.297 13 0 2 10 0 ca 1.465 127.3 1*omg 0. .057 7 1 3 4 13 ha 1.09 110.135 63.902 .021 1 2 0 0 0 cb 1.53 103.7 -173.631 -.026 7 2 5 6 7 hb1 1.09 111.633 92.044 .023 1 4 0 0 0 hb2 1.09 111.633 -148.244 .023 1 4 0 0 0 cg 1.524 103.4 -28.1 -.034 7 4 8 9 10 hg1 1.09 111.758 159.358 .025 1 7 0 0 0 hg2 1.09 111.758 -80.758 .025 1 7 0 0 0 cd 1.52 102.9 39.3 .095 18 7 11 12 1 hd1 1.09 111.783 85.141 .005 17 10 0 0 0 hd2 1.09 111.783 -154.941 .005 17 10 0 0 0 c 1.52 112.3 -53. .456 8 2 -14 0 0 o 1.23 120.5 180. -.38 11 -13 0 0 0 #prou 14 13 n 1.34 118. 3*psi 180. -.297 13 0 2 10 0 ca 1.465 121. 1*omg 180. .057 7 1 3 4 13 ha 1.09 110.135 63.902 .021 1 2 0 0 0 cb 1.53 103.7 -173.631 -.026 7 2 5 6 7 hb1 1.09 111.633 92.044 .023 1 4 0 0 0 hb2 1.09 111.633 -148.244 .023 1 4 0 0 0 cg 1.524 103.4 -28.1 -.034 7 4 8 9 10 hg1 1.09 111.758 159.358 .025 1 7 0 0 0 hg2 1.09 111.758 -80.758 .025 1 7 0 0 0 cd 1.52 102.9 39.3 .095 18 7 11 12 1 hd1 1.09 111.783 85.141 .005 17 10 0 0 0 hd2 1.09 111.783 -154.941 .005 17 10 0 0 0 c 1.52 112.3 -53. .456 8 2 -14 0 0 o 1.23 120.5 180. -.38 11 -13 0 0 0 #pron 14 13 n 1.34 118. 3*psi 180. -.257 13 0 2 10 0 ca 1.497 121. 1*omg 180. .027 7 1 3 4 13 ha 1.09 112.947 63.747 .010 1 2 0 0 0 cb 1.53 104.9 -175.419 -.023 7 2 5 6 7 hb1 1.09 111.482 92.146 .012 1 4 0 0 0 hb2 1.09 111.482 -148.346 .012 1 4 0 0 0 cg 1.5 104. -28.1 -.037 7 4 8 9 10 hg1 1.09 111.708 159.092 .014 1 7 0 0 0 hg2 1.09 111.708 -81.092 .014 1 7 0 0 0 cd 1.507 103.1 39. .066 18 7 11 12 1 hd1 1.09 111.255 85.198 .002 17 10 0 0 0 hd2 1.09 111.255 -155.598 .002 17 10 0 0 0 c 1.511 109.8 -53. .444 8 2 -14 0 0 o 1.23 120.5 180. -.394 11 -13 0 0 0 #pro+ 14 13 n 1.34 118. 3*psi 180. -.248 13 0 2 10 0 ca 1.497 121. 1*omg 180. .004 7 1 3 4 13 ha 1.09 112.947 63.747 .094 1 2 0 0 0 cb 1.53 104.9 -175.419 -.035 7 2 5 6 7 hb1 1.09 111.482 92.146 .086 1 4 0 0 0 hb2 1.09 111.482 -148.346 .086 1 4 0 0 0 cg 1.5 104. -28.1 -.043 7 4 8 9 10 hg1 1.09 111.708 159.092 .086 1 7 0 0 0 hg2 1.09 111.708 -81.092 .086 1 7 0 0 0 cd 1.507 103.1 39. .044 18 7 11 12 1 hd1 1.09 111.255 85.198 .098 17 10 0 0 0 hd2 1.09 111.255 -155.598 .098 17 10 0 0 0 c 1.511 109.8 -53. .459 8 2 -14 0 0 o 1.23 120.5 180. -.315 11 -13 0 0 0 #ser 11 10 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 10 ha 1.09 105.356 -60.837 .02 1 3 0 0 0 cb 1.53 111.1 57.576 .13 7 3 6 7 8 hb1 1.09 109.428 -58.473 .02 1 5 0 0 0 hb2 1.09 109.428 58.473 .02 1 5 0 0 0 og 1.425 112. 4*x1 180. -.31 10 5 9 0 0 hg 1. 110. 5*x2 180. .17 5 8 0 0 0 c 1.53 110. 2*phi 180. .45 8 3 -11 0 0 o 1.23 120.5 180. -.384 11 -10 0 0 0 #thr 14 13 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 13 ha 1.09 108.374 -63.043 .02 1 3 0 0 0 cb 1.53 108. 55.503 .16 7 3 6 7 9 hb 1.09 110.93 -56.998 .015 1 5 0 0 0 og1 1.425 104.1 4*x1 180. -.31 10 5 8 0 0 hg1 1. 110. 5*x21 180. .17 5 7 0 0 0 cg2 1.53 112.5 67.919 -.095 7 5 10 11 12 hg21 1.09 109.47 4*x22 60. .03 1 9 0 0 0 hg22 1.09 109.47 -60. .03 1 9 0 0 0 hg23 1.09 109.47 180. .03 1 9 0 0 0 c 1.53 110.4 2*phi 180. .45 8 3 -14 0 0 o 1.23 120.5 180. -.384 11 -13 0 0 0 #trp 24 23 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 23 ha 1.09 107.799 -61.187 .02 1 3 0 0 0 cb 1.53 111. 55.612 -.03 7 3 6 7 8 hb1 1.09 108.903 -58.177 .015 1 5 0 0 0 hb2 1.09 108.903 58.177 .015 1 5 0 0 0 cg 1.53 114. 4*x1 180. -.025 9 5 -9 22 0 cd1 1.34 128. 12*x2 180. .085 9 -8 10 11 0 hd1 1.09 124.25 0. .0 2 9 0 0 0 ne1 1.38 111.5 180. -.28 13 9 12 13 0 he1 1. 126.3 180. .13 4 11 0 0 0 ce2 1.39 107.4 0. .15 9 11 14 -22 0 cz2 1.4 129.4 180. -.06 9 13 15 -16 0 hz2 1.09 121.8 0. .03 2 14 0 0 0 ch2 1.39 116.4 180. -.005 9 -14 17 18 0 hh2 1.09 120.15 180. .01 2 16 0 0 0 cz3 1.39 119.7 0. -.02 9 16 19 -20 0 hz3 1.09 117.7 180. .01 2 18 0 0 0 ce3 1.4 124.6 0. -.08 9 -18 21 22 0 he3 1.09 122.5 180. .08 2 20 0 0 0 cd2 1.41 115. 0. .005 9 20 8 -13 0 c 1.53 108. 2*phi 180. .45 8 3 -24 0 0 o 1.23 120.5 180. -.384 11 -23 0 0 0 #tyr 21 20 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 20 ha 1.09 107.973 -60.509 .02 1 3 0 0 0 cb 1.53 106. 61.78 -.04 7 3 6 7 8 hb1 1.09 108.903 -58.177 .025 1 5 0 0 0 hb2 1.09 108.903 58.177 .025 1 5 0 0 0 cg 1.53 114. 4*x1 180. .02 9 5 -9 18 0 cd1 1.38 120. 12*x2 180. -.01 9 -8 10 11 0 hd1 1.09 120. 0. .01 2 9 0 0 0 ce1 1.44 120. 180. -.06 9 9 12 -13 0 he1 1.09 120.75 180. .03 2 11 0 0 0 cz 1.36 118.5 0. .225 9 -11 14 16 0 oh 1.36 118.5 180. -.33 10 13 15 0 0 hh 1. 110. 15*x6 180. .165 5 14 0 0 0 ce2 1.36 123. 0. -.06 9 13 17 -18 0 he2 1.09 120.75 180. .03 2 16 0 0 0 cd2 1.44 118.5 0. -.01 9 -16 19 8 0 hd2 1.09 120. 180. .01 2 18 0 0 0 c 1.53 111. 2*phi 180. .45 8 3 -21 0 0 o 1.23 120.5 180. -.384 11 -20 0 0 0 #val 16 15 n 1.325 115. 3*psi 180. -.356 13 0 2 3 0 h 1. 124. 0. .176 4 1 0 0 0 ca 1.453 121. 1*omg 180. .064 7 1 4 5 15 ha 1.09 107.568 -62.068 .02 1 3 0 0 0 cb 1.53 110. 55.387 .008 7 3 6 7 11 hb 1.09 107.895 61.977 .016 1 5 0 0 0 cg1 1.53 111. 4*x1 180. -.072 7 5 8 9 10 hg11 1.09 109.47 4*x21 -60. .025 1 7 0 0 0 hg12 1.09 109.47 60. .025 1 7 0 0 0 hg13 1.09 109.47 180. .025 1 7 0 0 0 cg2 1.53 111. -56.046 -.072 7 5 12 13 14 hg21 1.09 109.47 4*x22 -60. .025 1 11 0 0 0 hg22 1.09 109.47 60. .025 1 11 0 0 0 hg23 1.09 109.47 180. .025 1 11 0 0 0 c 1.53 109.3 2*phi 180. .45 8 3 -16 0 0 o 1.23 120.5 180. -.384 11 -15 0 0 0 #ace 6 5 ch3 1.453 121. 180. -.129 7 2 3 4 5 h1 1.09 0. 0. .020 1 1 0 0 0 h2 1.09 109.471 -60.001 .020 1 1 0 0 0 h3 1.09 109.471 60.001 .020 1 1 0 0 0 c 1.49 109.471 180. .455 8 1 -6 0 0 o 1.23 120.5 180. -.386 11 -5 0 0 0 #nme 6 3 n 1.453 115. 3*psi 180. -.345 13 0 2 3 0 h 1. 124. 0. .163 4 1 0 0 0 c 1.325 121. 1*omg 180. .05 7 1 4 5 6 h1 1.09 109.47 2*pht 180. .044 1 3 0 0 0 h2 1.09 109.47 -60. .044 1 3 0 0 0 h3 1.09 109.47 60. .044 1 3 0 0 0 #nh1 2 1 # only for pron n 1.497 109.8 3*psi 180. -.257 13 0 2 0 0 h 1. 126.098 -51.277 .108 4 1 0 0 0 #nh2 3 1 n 1.453 109.3 3*psi 180. -.332 14 0 2 3 0 h1 1. 112. 6*phi 180. .076 4 1 0 0 0 h2 1. 112. -60. .076 4 1 0 0 0 #nh2g 3 1 # only for gly n 1.453 109.3 3*psi 180. -.328 14 0 2 3 0 h1 1. 112. 6*phi 180. .080 4 1 0 0 0 h2 1. 112. -60. .080 4 1 0 0 0 #nh2+ 3 1 # only for pro+ n 1.497 109.8 3*psi 180. -.248 13 0 2 3 0 h1 1. 109.879 -111.549 .250 3 1 0 0 0 h2 1. 109.879 8.995 .250 3 1 0 0 0 #nh3+ 4 1 n 1.453 109.3 3*psi 180. -.242 13 0 2 3 4 h1 1. 109.47 7*phi 180. .354 3 1 0 0 0 h2 1. 109.47 60. .354 3 1 0 0 0 h3 1. 109.47 -60. .354 3 1 0 0 0 #nh3g 4 1 # only for gly n 1.453 109.3 3*psi 180. -.242 13 0 2 3 4 h1 1. 109.47 7*phi 180. .358 3 1 0 0 0 h2 1. 109.47 60. .358 3 1 0 0 0 h3 1. 109.47 -60. .358 3 1 0 0 0 #cooh 4 1 c 1.53 109.3 2*phi 180. .517 8 0 -2 3 0 o 1.23 120.5 0. -.351 11 -1 0 0 0 oxt 1.29 115. 9*pst 180. -.334 10 1 4 0 0 hxt 1. 110. 16*omt 180. .235 5 3 0 0 0 #gooh 4 1 # only for gly c 1.53 109.3 2*phi 180. .518 8 0 -2 3 0 o 1.23 120.5 0. -.347 11 -1 0 0 0 oxt 1.29 115. 9*pst 180. -.335 10 1 4 0 0 hxt 1. 110. 16*omt 180. .23 5 3 0 0 0 #coo- 3 1 c 1.53 109.3 2*phi 180. .395 8 0 -2 -3 0 o 1.25 117. 0. -.664 12 -1 0 0 0 oxt 1.25 117. 10*pst 180. -.664 12 -1 0 0 0 #goo- 3 1 # only for gly c 1.53 109.3 2*phi 180. .396 8 0 -2 -3 0 o 1.25 117. 0. -.665 12 -1 0 0 0 oxt 1.25 117. 10*pst 180. -.665 12 -1 0 0 0