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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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8325 |
1m25 ![]() ![]() |
5405 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1HT GLY 1 3.646 8.738 11.920 2 2H GLY 1 2HT GLY 1 4.091 7.868 13.301 3 3H GLY 1 3HT GLY 1 5.106 9.081 12.703 4 1HA GLY 1 1HA GLY 1 3.886 9.815 14.675 5 2HA GLY 1 2HA GLY 1 3.528 10.782 13.252 6 H ASN 2 H ASN 2 1.505 10.529 12.210 7 HA ASN 2 HA ASN 2 -0.612 9.793 14.030 8 1HB ASN 2 2HB ASN 2 -0.912 10.753 11.184 9 2HB ASN 2 1HB ASN 2 -2.099 10.835 12.482 10 1HD2 ASN 2 1HD2 ASN 2 -2.386 12.839 13.101 11 2HD2 ASN 2 2HD2 ASN 2 -1.155 14.034 13.302 12 H ASP 3 H ASP 3 -1.844 8.036 13.952 13 HA ASP 3 HA ASP 3 -1.066 5.711 12.643 14 1HB ASP 3 2HB ASP 3 -3.252 6.583 14.347 15 2HB ASP 3 1HB ASP 3 -3.718 5.299 13.236 16 H TYR 4 H TYR 4 -2.601 8.276 11.215 17 HA TYR 4 HA TYR 4 -4.163 6.737 9.312 18 1HB TYR 4 2HB TYR 4 -5.128 8.760 8.591 19 2HB TYR 4 1HB TYR 4 -4.978 8.943 10.332 20 HD1 TYR 4 1HD TYR 4 -3.567 10.631 11.278 21 HD2 TYR 4 2HD TYR 4 -3.642 10.011 7.073 22 HE1 TYR 4 1HE TYR 4 -2.383 12.762 10.949 23 HE2 TYR 4 2HE TYR 4 -2.457 12.137 6.732 24 HH TYR 4 HH TYR 4 -0.771 13.674 8.898 25 H GLU 5 H GLU 5 -1.302 8.612 9.630 26 HA GLU 5 HA GLU 5 -0.550 8.426 6.907 27 1HB GLU 5 2HB GLU 5 0.514 9.784 9.309 28 2HB GLU 5 1HB GLU 5 1.724 9.217 8.166 29 1HG GLU 5 2HG GLU 5 -0.591 10.813 7.187 30 2HG GLU 5 1HG GLU 5 0.761 11.623 7.975 31 H ASP 6 H ASP 6 0.020 7.228 10.017 32 HA ASP 6 HA ASP 6 2.053 5.400 9.595 33 1HB ASP 6 2HB ASP 6 0.439 6.282 11.680 34 2HB ASP 6 1HB ASP 6 0.014 4.589 11.504 35 H ARG 7 H ARG 7 -1.444 4.992 9.817 36 HA ARG 7 HA ARG 7 -1.384 2.354 8.691 37 1HB ARG 7 2HB ARG 7 -3.160 3.223 10.301 38 2HB ARG 7 1HB ARG 7 -3.826 4.111 8.937 39 1HG ARG 7 2HG ARG 7 -4.964 2.317 8.329 40 2HG ARG 7 1HG ARG 7 -3.457 1.422 8.123 41 1HD ARG 7 2HD ARG 7 -3.521 1.023 10.627 42 2HD ARG 7 1HD ARG 7 -5.174 1.637 10.584 43 HE ARG 7 HE ARG 7 -5.834 -0.378 9.757 44 1HH1 ARG 7 1HH1 ARG 7 -2.417 -0.018 9.138 45 2HH1 ARG 7 2HH1 ARG 7 -2.239 -1.619 8.503 46 1HH2 ARG 7 1HH2 ARG 7 -5.597 -2.484 8.928 47 2HH2 ARG 7 2HH2 ARG 7 -4.041 -3.018 8.383 48 H TYR 8 H TYR 8 -1.449 5.568 7.492 49 HA TYR 8 HA TYR 8 -2.686 5.287 4.986 50 1HB TYR 8 2HB TYR 8 -1.821 7.454 5.125 51 2HB TYR 8 1HB TYR 8 -0.490 6.941 6.111 52 HD1 TYR 8 1HD TYR 8 -1.581 6.218 2.641 53 HD2 TYR 8 2HD TYR 8 1.697 7.211 5.119 54 HE1 TYR 8 1HE TYR 8 -0.135 6.295 0.671 55 HE2 TYR 8 2HE TYR 8 3.153 7.302 3.174 56 HH TYR 8 HH TYR 8 3.234 7.311 0.919 57 H TYR 9 H TYR 9 0.475 5.059 6.211 58 HA TYR 9 HA TYR 9 1.414 3.998 3.870 59 1HB TYR 9 2HB TYR 9 2.875 5.436 5.109 60 2HB TYR 9 1HB TYR 9 2.758 4.377 6.532 61 HD1 TYR 9 1HD TYR 9 3.700 4.573 3.085 62 HD2 TYR 9 2HD TYR 9 4.087 2.419 6.728 63 HE1 TYR 9 1HE TYR 9 5.403 3.101 2.009 64 HE2 TYR 9 2HE TYR 9 5.859 0.997 5.713 65 HH TYR 9 HH TYR 9 6.592 0.263 3.528 66 H ARG 10 H ARG 10 0.643 2.689 7.026 67 HA ARG 10 HA ARG 10 2.020 0.270 6.651 68 1HB ARG 10 2HB ARG 10 1.168 0.919 8.774 69 2HB ARG 10 1HB ARG 10 -0.506 0.803 8.206 70 1HG ARG 10 2HG ARG 10 0.248 -1.135 9.588 71 2HG ARG 10 1HG ARG 10 -0.339 -1.575 7.985 72 1HD ARG 10 2HD ARG 10 1.745 -2.759 8.685 73 2HD ARG 10 1HD ARG 10 1.878 -1.872 7.171 74 HE ARG 10 HE ARG 10 2.896 -0.818 9.729 75 1HH1 ARG 10 1HH1 ARG 10 3.293 -1.431 6.305 76 2HH1 ARG 10 2HH1 ARG 10 4.828 -0.639 6.223 77 1HH2 ARG 10 1HH2 ARG 10 4.914 0.216 9.606 78 2HH2 ARG 10 2HH2 ARG 10 5.748 0.293 8.090 79 H GLU 11 H GLU 11 -0.718 1.676 5.283 80 HA GLU 11 HA GLU 11 -1.929 -0.588 4.054 81 1HB GLU 11 2HB GLU 11 -2.911 1.732 4.284 82 2HB GLU 11 1HB GLU 11 -1.815 2.219 2.996 83 1HG GLU 11 2HG GLU 11 -2.838 0.820 1.427 84 2HG GLU 11 1HG GLU 11 -3.708 -0.075 2.669 85 H ASN 12 H ASN 12 1.168 0.402 3.757 86 HA ASN 12 HA ASN 12 1.636 0.482 0.987 87 1HB ASN 12 2HB ASN 12 3.198 1.005 3.116 88 2HB ASN 12 1HB ASN 12 3.724 -0.634 2.760 89 1HD2 ASN 12 1HD2 ASN 12 5.492 -0.639 1.555 90 2HD2 ASN 12 2HD2 ASN 12 5.858 0.467 0.283 91 H MET 13 H MET 13 0.480 -1.906 2.993 92 HA MET 13 HA MET 13 1.770 -4.021 1.691 93 1HB MET 13 2HB MET 13 -0.283 -3.765 3.777 94 2HB MET 13 1HB MET 13 -0.491 -5.162 2.729 95 1HG MET 13 2HG MET 13 0.838 -6.141 4.249 96 2HG MET 13 1HG MET 13 2.115 -5.410 3.278 97 1HE MET 13 1HE MET 13 0.286 -5.105 6.968 98 2HE MET 13 2HE MET 13 -0.523 -4.222 5.673 99 3HE MET 13 3HE MET 13 0.330 -3.342 6.940 100 H TYR 14 H TYR 14 -0.613 -1.848 1.023 101 HA TYR 14 HA TYR 14 -1.943 -3.512 -0.827 102 1HB TYR 14 2HB TYR 14 -3.538 -1.848 -1.009 103 2HB TYR 14 1HB TYR 14 -2.787 -1.262 0.473 104 HD1 TYR 14 1HD TYR 14 -4.078 -0.053 -2.387 105 HD2 TYR 14 2HD TYR 14 -0.375 -0.016 -0.299 106 HE1 TYR 14 1HE TYR 14 -3.447 2.018 -3.558 107 HE2 TYR 14 2HE TYR 14 0.281 2.033 -1.481 108 HH TYR 14 HH TYR 14 -0.590 3.106 -3.961 109 H ARG 15 H ARG 15 0.730 -1.686 -0.511 110 HA ARG 15 HA ARG 15 1.247 -0.991 -3.235 111 1HB ARG 15 2HB ARG 15 2.131 -0.240 -0.694 112 2HB ARG 15 1HB ARG 15 3.511 -1.058 -1.403 113 1HG ARG 15 2HG ARG 15 2.724 0.574 -3.419 114 2HG ARG 15 1HG ARG 15 2.326 1.531 -1.989 115 1HD ARG 15 2HD ARG 15 4.472 2.032 -1.690 116 2HD ARG 15 1HD ARG 15 4.874 0.319 -1.587 117 HE ARG 15 HE ARG 15 5.463 2.043 -3.735 118 1HH1 ARG 15 1HH1 ARG 15 4.350 -1.211 -3.112 119 2HH1 ARG 15 2HH1 ARG 15 4.994 -1.847 -4.585 120 1HH2 ARG 15 1HH2 ARG 15 6.323 1.204 -5.665 121 2HH2 ARG 15 2HH2 ARG 15 6.121 -0.476 -6.033 122 H TYR 16 H TYR 16 1.640 -3.631 -1.044 123 HA TYR 16 HA TYR 16 3.831 -4.929 -2.330 124 1HB TYR 16 2HB TYR 16 1.749 -5.753 -0.323 125 2HB TYR 16 1HB TYR 16 3.141 -6.731 -0.752 126 HD1 TYR 16 1HD TYR 16 2.778 -3.076 0.035 127 HD2 TYR 16 2HD TYR 16 4.585 -6.830 0.933 128 HE1 TYR 16 1HE TYR 16 4.268 -1.981 1.649 129 HE2 TYR 16 2HE TYR 16 6.028 -5.735 2.593 130 HH TYR 16 HH TYR 16 6.816 -3.737 3.340 131 HA PRO 17 HA PRO 17 1.420 -7.768 -4.846 132 1HB PRO 17 2HB PRO 17 -0.206 -9.476 -3.439 133 2HB PRO 17 1HB PRO 17 1.360 -9.894 -4.145 134 1HG PRO 17 2HG PRO 17 0.672 -9.611 -1.364 135 2HG PRO 17 1HG PRO 17 2.230 -10.068 -2.065 136 1HD PRO 17 2HD PRO 17 1.506 -7.599 -0.833 137 2HD PRO 17 1HD PRO 17 3.054 -8.037 -1.555 138 H ASN 18 H ASN 18 0.272 -5.724 -4.792 139 HA ASN 18 HA ASN 18 -2.259 -5.416 -3.717 140 1HB ASN 18 2HB ASN 18 -2.103 -4.064 -6.253 141 2HB ASN 18 1HB ASN 18 -2.228 -3.387 -4.647 142 1HD2 ASN 18 1HD2 ASN 18 0.284 -5.045 -6.572 143 2HD2 ASN 18 2HD2 ASN 18 1.539 -3.923 -6.164 144 H GLN 19 H GLN 19 -3.834 -6.536 -4.004 145 HA GLN 19 HA GLN 19 -4.536 -8.685 -5.137 146 1HB GLN 19 2HB GLN 19 -6.839 -7.989 -5.074 147 2HB GLN 19 1HB GLN 19 -5.953 -7.160 -3.791 148 1HG GLN 19 2HG GLN 19 -6.373 -5.923 -6.507 149 2HG GLN 19 1HG GLN 19 -7.537 -5.735 -5.204 150 1HE2 GLN 19 1HE2 GLN 19 -4.368 -4.762 -6.435 151 2HE2 GLN 19 2HE2 GLN 19 -4.095 -3.561 -5.221 152 H VAL 20 H VAL 20 -3.381 -6.736 -7.392 153 HA VAL 20 HA VAL 20 -4.351 -8.117 -9.579 154 HB VAL 20 HB VAL 20 -6.498 -7.194 -9.345 155 1HG1 VAL 20 1HG1 VAL 20 -5.884 -4.357 -9.398 156 2HG1 VAL 20 2HG1 VAL 20 -5.218 -5.151 -7.975 157 3HG1 VAL 20 3HG1 VAL 20 -6.946 -5.245 -8.304 158 1HG2 VAL 20 1HG2 VAL 20 -5.568 -7.033 -11.613 159 2HG2 VAL 20 2HG2 VAL 20 -5.098 -5.370 -11.259 160 3HG2 VAL 20 3HG2 VAL 20 -6.803 -5.820 -11.281 161 H TYR 21 H TYR 21 -3.267 -5.220 -8.162 162 HA TYR 21 HA TYR 21 -2.264 -3.847 -10.370 163 1HB TYR 21 2HB TYR 21 -1.186 -4.304 -7.585 164 2HB TYR 21 1HB TYR 21 -0.465 -3.173 -8.664 165 HD1 TYR 21 1HD TYR 21 -0.762 -1.695 -6.737 166 HD2 TYR 21 2HD TYR 21 -3.995 -3.314 -8.977 167 HE1 TYR 21 1HE TYR 21 -2.290 0.029 -5.777 168 HE2 TYR 21 2HE TYR 21 -5.528 -1.615 -8.057 169 HH TYR 21 HH TYR 21 -4.923 1.004 -6.941 170 H TYR 22 H TYR 22 -1.408 -6.949 -9.192 171 HA TYR 22 HA TYR 22 0.459 -8.215 -9.534 172 1HB TYR 22 2HB TYR 22 1.066 -7.273 -12.202 173 2HB TYR 22 1HB TYR 22 0.246 -8.759 -11.743 174 HD1 TYR 22 1HD TYR 22 -1.999 -9.070 -12.514 175 HD2 TYR 22 2HD TYR 22 -0.520 -5.090 -12.148 176 HE1 TYR 22 1HE TYR 22 -4.038 -8.203 -13.559 177 HE2 TYR 22 2HE TYR 22 -2.555 -4.223 -13.112 178 HH TYR 22 HH TYR 22 -4.353 -4.949 -14.585 179 H ARG 23 H ARG 23 0.492 -5.284 -8.769 180 HA ARG 23 HA ARG 23 2.078 -4.011 -7.734 181 1HB ARG 23 2HB ARG 23 3.823 -5.790 -8.193 182 2HB ARG 23 1HB ARG 23 4.157 -4.951 -9.706 183 1HG ARG 23 2HG ARG 23 4.480 -2.866 -8.264 184 2HG ARG 23 1HG ARG 23 4.557 -3.982 -6.900 185 1HD ARG 23 2HD ARG 23 6.233 -4.955 -9.002 186 2HD ARG 23 1HD ARG 23 6.623 -3.265 -8.695 187 HE ARG 23 HE ARG 23 6.841 -3.975 -6.292 188 1HH1 ARG 23 1HH1 ARG 23 7.412 -6.224 -8.914 189 2HH1 ARG 23 2HH1 ARG 23 8.483 -7.214 -7.985 190 1HH2 ARG 23 1HH2 ARG 23 8.253 -5.280 -5.086 191 2HH2 ARG 23 2HH2 ARG 23 8.961 -6.682 -5.818 192 HA PRO 24 HA PRO 24 2.988 -1.376 -11.813 193 1HB PRO 24 2HB PRO 24 1.200 -2.008 -13.807 194 2HB PRO 24 1HB PRO 24 2.878 -2.574 -13.766 195 1HG PRO 24 2HG PRO 24 0.408 -3.939 -12.728 196 2HG PRO 24 1HG PRO 24 1.642 -4.595 -13.826 197 1HD PRO 24 2HD PRO 24 1.817 -5.222 -11.321 198 2HD PRO 24 1HD PRO 24 3.289 -4.614 -12.094 199 H VAL 25 H VAL 25 -0.203 -2.739 -10.975 200 HA VAL 25 HA VAL 25 -2.019 -1.704 -10.136 201 HB VAL 25 HB VAL 25 -0.693 0.971 -10.523 202 1HG1 VAL 25 1HG1 VAL 25 -2.182 1.247 -8.325 203 2HG1 VAL 25 2HG1 VAL 25 -3.121 0.003 -9.151 204 3HG1 VAL 25 3HG1 VAL 25 -2.799 1.542 -9.951 205 1HG2 VAL 25 1HG2 VAL 25 0.857 0.325 -9.055 206 2HG2 VAL 25 2HG2 VAL 25 -0.016 -1.157 -8.662 207 3HG2 VAL 25 3HG2 VAL 25 -0.430 0.352 -7.848 208 H CYS 26 H CYS 26 -1.081 -1.774 -13.127 209 HA CYS 26 HA CYS 26 -3.592 -0.815 -14.126 210 1HB CYS 26 2HB CYS 26 -2.187 1.259 -14.047 211 2HB CYS 26 1HB CYS 26 -1.093 0.499 -15.198 212 HG CYS 26 HG CYS 26 -4.052 1.057 -15.973 Start of MODEL 2 1 1H GLY 1 1HT GLY 1 2.577 13.021 13.526 2 2H GLY 1 2HT GLY 1 3.989 12.386 12.847 3 3H GLY 1 3HT GLY 1 3.914 12.690 14.509 4 1HA GLY 1 1HA GLY 1 3.329 10.319 13.202 5 2HA GLY 1 2HA GLY 1 3.129 10.675 14.912 6 H ASN 2 H ASN 2 1.554 9.388 12.452 7 HA ASN 2 HA ASN 2 -1.024 9.840 13.627 8 1HB ASN 2 2HB ASN 2 -1.727 10.429 11.042 9 2HB ASN 2 1HB ASN 2 -1.590 11.598 12.349 10 1HD2 ASN 2 1HD2 ASN 2 -0.875 13.335 11.251 11 2HD2 ASN 2 2HD2 ASN 2 0.609 13.394 10.367 12 H ASP 3 H ASP 3 -2.107 8.020 13.521 13 HA ASP 3 HA ASP 3 -1.179 5.698 12.290 14 1HB ASP 3 2HB ASP 3 -3.426 6.504 13.900 15 2HB ASP 3 1HB ASP 3 -3.896 5.302 12.701 16 H TYR 4 H TYR 4 -2.600 8.226 10.734 17 HA TYR 4 HA TYR 4 -4.060 6.698 8.753 18 1HB TYR 4 2HB TYR 4 -4.917 8.732 7.922 19 2HB TYR 4 1HB TYR 4 -4.911 8.924 9.666 20 HD1 TYR 4 1HD TYR 4 -3.988 10.830 10.601 21 HD2 TYR 4 2HD TYR 4 -2.879 9.744 6.641 22 HE1 TYR 4 1HE TYR 4 -2.784 12.960 10.363 23 HE2 TYR 4 2HE TYR 4 -1.664 11.869 6.395 24 HH TYR 4 HH TYR 4 -1.151 14.025 9.082 25 H GLU 5 H GLU 5 -1.170 8.505 9.218 26 HA GLU 5 HA GLU 5 -0.261 8.207 6.554 27 1HB GLU 5 2HB GLU 5 0.560 9.774 8.850 28 2HB GLU 5 1HB GLU 5 1.928 8.940 8.126 29 1HG GLU 5 2HG GLU 5 1.281 9.917 5.933 30 2HG GLU 5 1HG GLU 5 0.046 10.853 6.770 31 H ASP 6 H ASP 6 0.063 7.088 9.737 32 HA ASP 6 HA ASP 6 2.061 5.187 9.513 33 1HB ASP 6 2HB ASP 6 0.332 6.167 11.447 34 2HB ASP 6 1HB ASP 6 -0.156 4.489 11.269 35 H ARG 7 H ARG 7 -1.466 4.868 9.457 36 HA ARG 7 HA ARG 7 -1.362 2.204 8.372 37 1HB ARG 7 2HB ARG 7 -3.632 4.129 8.854 38 2HB ARG 7 1HB ARG 7 -3.873 2.659 7.929 39 1HG ARG 7 2HG ARG 7 -2.746 2.667 10.714 40 2HG ARG 7 1HG ARG 7 -4.469 2.519 10.360 41 1HD ARG 7 2HD ARG 7 -3.453 0.634 8.708 42 2HD ARG 7 1HD ARG 7 -2.287 0.572 10.027 43 HE ARG 7 HE ARG 7 -5.161 0.369 10.596 44 1HH1 ARG 7 1HH1 ARG 7 -1.970 -1.064 10.623 45 2HH1 ARG 7 2HH1 ARG 7 -2.441 -2.385 11.636 46 1HH2 ARG 7 1HH2 ARG 7 -5.772 -1.374 11.921 47 2HH2 ARG 7 2HH2 ARG 7 -4.595 -2.562 12.370 48 H TYR 8 H TYR 8 -1.259 5.412 7.138 49 HA TYR 8 HA TYR 8 -2.247 5.119 4.527 50 1HB TYR 8 2HB TYR 8 -1.370 7.265 4.704 51 2HB TYR 8 1HB TYR 8 -0.189 6.764 5.865 52 HD1 TYR 8 1HD TYR 8 -0.816 6.048 2.278 53 HD2 TYR 8 2HD TYR 8 2.117 6.958 5.187 54 HE1 TYR 8 1HE TYR 8 0.888 6.100 0.527 55 HE2 TYR 8 2HE TYR 8 3.825 7.021 3.460 56 HH TYR 8 HH TYR 8 3.371 5.787 0.387 57 H TYR 9 H TYR 9 0.772 4.818 6.065 58 HA TYR 9 HA TYR 9 1.928 3.754 3.827 59 1HB TYR 9 2HB TYR 9 3.280 5.106 5.311 60 2HB TYR 9 1HB TYR 9 2.999 3.947 6.632 61 HD1 TYR 9 1HD TYR 9 4.250 4.337 3.292 62 HD2 TYR 9 2HD TYR 9 4.255 1.963 6.816 63 HE1 TYR 9 1HE TYR 9 5.986 2.867 2.274 64 HE2 TYR 9 2HE TYR 9 6.060 0.534 5.866 65 HH TYR 9 HH TYR 9 7.466 1.215 2.671 66 H ARG 10 H ARG 10 0.773 2.443 6.846 67 HA ARG 10 HA ARG 10 1.999 -0.050 6.447 68 1HB ARG 10 2HB ARG 10 1.030 0.736 8.545 69 2HB ARG 10 1HB ARG 10 -0.594 0.439 7.891 70 1HG ARG 10 2HG ARG 10 0.159 -1.405 9.318 71 2HG ARG 10 1HG ARG 10 -0.057 -1.935 7.649 72 1HD ARG 10 2HD ARG 10 2.615 -1.043 7.895 73 2HD ARG 10 1HD ARG 10 2.282 -2.055 9.296 74 HE ARG 10 HE ARG 10 1.815 -3.868 7.841 75 1HH1 ARG 10 1HH1 ARG 10 3.108 -1.068 6.166 76 2HH1 ARG 10 2HH1 ARG 10 3.504 -1.962 4.744 77 1HH2 ARG 10 1HH2 ARG 10 2.366 -5.021 5.972 78 2HH2 ARG 10 2HH2 ARG 10 3.095 -4.197 4.635 79 H GLU 11 H GLU 11 -0.470 1.637 4.955 80 HA GLU 11 HA GLU 11 -1.802 -0.477 3.580 81 1HB GLU 11 2HB GLU 11 -2.537 1.977 3.853 82 2HB GLU 11 1HB GLU 11 -1.412 2.300 2.538 83 1HG GLU 11 2HG GLU 11 -2.604 0.994 1.022 84 2HG GLU 11 1HG GLU 11 -3.530 0.206 2.294 85 H ASN 12 H ASN 12 1.332 0.128 3.631 86 HA ASN 12 HA ASN 12 2.220 0.364 0.993 87 1HB ASN 12 2HB ASN 12 3.466 0.337 3.377 88 2HB ASN 12 1HB ASN 12 3.688 -1.345 2.935 89 1HD2 ASN 12 1HD2 ASN 12 3.618 1.385 0.720 90 2HD2 ASN 12 2HD2 ASN 12 5.270 1.268 0.245 91 H MET 13 H MET 13 0.449 -2.012 2.624 92 HA MET 13 HA MET 13 1.492 -4.183 1.227 93 1HB MET 13 2HB MET 13 -1.261 -3.997 2.443 94 2HB MET 13 1HB MET 13 -0.366 -5.467 2.085 95 1HG MET 13 2HG MET 13 1.192 -5.037 3.831 96 2HG MET 13 1HG MET 13 0.536 -3.422 4.092 97 1HE MET 13 1HE MET 13 -1.402 -3.685 6.867 98 2HE MET 13 2HE MET 13 0.154 -3.263 6.153 99 3HE MET 13 3HE MET 13 0.021 -4.672 7.204 100 H TYR 14 H TYR 14 -0.472 -1.591 0.571 101 HA TYR 14 HA TYR 14 -1.769 -2.804 -1.607 102 1HB TYR 14 2HB TYR 14 -3.047 -0.878 -1.780 103 2HB TYR 14 1HB TYR 14 -2.420 -0.582 -0.160 104 HD1 TYR 14 1HD TYR 14 -3.124 1.175 -2.916 105 HD2 TYR 14 2HD TYR 14 0.278 0.215 -0.554 106 HE1 TYR 14 1HE TYR 14 -1.980 3.188 -3.758 107 HE2 TYR 14 2HE TYR 14 1.441 2.192 -1.411 108 HH TYR 14 HH TYR 14 -0.139 4.453 -3.654 109 H ARG 15 H ARG 15 1.128 -1.662 -0.824 110 HA ARG 15 HA ARG 15 2.029 -0.839 -3.426 111 1HB ARG 15 2HB ARG 15 2.740 -0.332 -0.725 112 2HB ARG 15 1HB ARG 15 4.115 -1.138 -1.462 113 1HG ARG 15 2HG ARG 15 3.448 0.724 -3.344 114 2HG ARG 15 1HG ARG 15 3.070 1.557 -1.837 115 1HD ARG 15 2HD ARG 15 5.231 1.977 -1.537 116 2HD ARG 15 1HD ARG 15 5.544 0.244 -1.457 117 HE ARG 15 HE ARG 15 6.492 1.876 -3.430 118 1HH1 ARG 15 1HH1 ARG 15 4.534 -0.988 -3.286 119 2HH1 ARG 15 2HH1 ARG 15 4.867 -1.462 -4.901 120 1HH2 ARG 15 1HH2 ARG 15 7.029 1.204 -5.546 121 2HH2 ARG 15 2HH2 ARG 15 6.329 -0.247 -6.181 122 H TYR 16 H TYR 16 1.691 -3.600 -1.433 123 HA TYR 16 HA TYR 16 3.879 -5.164 -2.444 124 1HB TYR 16 2HB TYR 16 1.513 -5.700 -0.669 125 2HB TYR 16 1HB TYR 16 2.790 -6.862 -0.970 126 HD1 TYR 16 1HD TYR 16 2.910 -3.183 -0.282 127 HD2 TYR 16 2HD TYR 16 4.063 -7.123 0.890 128 HE1 TYR 16 1HE TYR 16 4.439 -2.256 1.392 129 HE2 TYR 16 2HE TYR 16 5.514 -6.178 2.616 130 HH TYR 16 HH TYR 16 5.961 -4.231 3.823 131 HA PRO 17 HA PRO 17 1.543 -7.644 -5.328 132 1HB PRO 17 2HB PRO 17 0.367 -9.787 -4.040 133 2HB PRO 17 1HB PRO 17 1.888 -9.827 -4.943 134 1HG PRO 17 2HG PRO 17 1.598 -10.170 -2.161 135 2HG PRO 17 1HG PRO 17 3.113 -9.895 -3.034 136 1HD PRO 17 2HD PRO 17 1.527 -8.036 -1.399 137 2HD PRO 17 1HD PRO 17 3.233 -7.941 -1.877 138 H ASN 18 H ASN 18 0.059 -5.996 -5.170 139 HA ASN 18 HA ASN 18 -2.412 -6.308 -3.878 140 1HB ASN 18 2HB ASN 18 -2.076 -4.575 -6.266 141 2HB ASN 18 1HB ASN 18 -2.960 -4.255 -4.787 142 1HD2 ASN 18 1HD2 ASN 18 -0.521 -3.066 -6.417 143 2HD2 ASN 18 2HD2 ASN 18 0.556 -2.619 -5.147 144 H GLN 19 H GLN 19 -3.850 -7.589 -4.372 145 HA GLN 19 HA GLN 19 -4.149 -9.683 -5.740 146 1HB GLN 19 2HB GLN 19 -6.536 -9.405 -5.767 147 2HB GLN 19 1HB GLN 19 -5.876 -8.562 -4.363 148 1HG GLN 19 2HG GLN 19 -6.367 -7.162 -6.981 149 2HG GLN 19 1HG GLN 19 -7.617 -7.309 -5.755 150 1HE2 GLN 19 1HE2 GLN 19 -4.714 -5.603 -6.725 151 2HE2 GLN 19 2HE2 GLN 19 -4.690 -4.530 -5.372 152 H VAL 20 H VAL 20 -3.499 -7.125 -7.645 153 HA VAL 20 HA VAL 20 -3.896 -8.502 -10.055 154 HB VAL 20 HB VAL 20 -6.184 -8.068 -9.974 155 1HG1 VAL 20 1HG1 VAL 20 -7.203 -6.270 -8.990 156 2HG1 VAL 20 2HG1 VAL 20 -5.994 -5.143 -9.603 157 3HG1 VAL 20 3HG1 VAL 20 -5.643 -6.124 -8.187 158 1HG2 VAL 20 1HG2 VAL 20 -6.555 -6.879 -11.901 159 2HG2 VAL 20 2HG2 VAL 20 -4.839 -7.268 -12.030 160 3HG2 VAL 20 3HG2 VAL 20 -5.343 -5.664 -11.494 161 H TYR 21 H TYR 21 -3.438 -5.632 -8.262 162 HA TYR 21 HA TYR 21 -2.498 -3.923 -10.319 163 1HB TYR 21 2HB TYR 21 -1.461 -4.270 -7.498 164 2HB TYR 21 1HB TYR 21 -1.255 -2.865 -8.459 165 HD1 TYR 21 1HD TYR 21 -1.975 -2.135 -6.087 166 HD2 TYR 21 2HD TYR 21 -4.497 -3.896 -9.027 167 HE1 TYR 21 1HE TYR 21 -3.973 -1.170 -4.946 168 HE2 TYR 21 2HE TYR 21 -6.500 -2.952 -7.909 169 HH TYR 21 HH TYR 21 -6.237 -0.641 -5.319 170 H TYR 22 H TYR 22 -1.333 -6.911 -9.181 171 HA TYR 22 HA TYR 22 0.738 -7.860 -9.303 172 1HB TYR 22 2HB TYR 22 1.621 -6.485 -11.698 173 2HB TYR 22 1HB TYR 22 1.021 -8.132 -11.556 174 HD1 TYR 22 1HD TYR 22 -1.052 -8.706 -12.642 175 HD2 TYR 22 2HD TYR 22 -0.245 -4.598 -11.834 176 HE1 TYR 22 1HE TYR 22 -3.004 -8.046 -13.967 177 HE2 TYR 22 2HE TYR 22 -2.205 -3.946 -13.077 178 HH TYR 22 HH TYR 22 -4.619 -5.916 -13.925 179 H ARG 23 H ARG 23 0.156 -5.147 -8.166 180 HA ARG 23 HA ARG 23 1.356 -3.861 -6.691 181 1HB ARG 23 2HB ARG 23 3.456 -5.113 -7.099 182 2HB ARG 23 1HB ARG 23 3.716 -4.164 -8.560 183 1HG ARG 23 2HG ARG 23 3.617 -2.118 -7.081 184 2HG ARG 23 1HG ARG 23 3.729 -3.231 -5.718 185 1HD ARG 23 2HD ARG 23 5.734 -4.038 -7.494 186 2HD ARG 23 1HD ARG 23 5.810 -2.280 -7.489 187 HE ARG 23 HE ARG 23 6.069 -2.434 -5.049 188 1HH1 ARG 23 1HH1 ARG 23 6.837 -5.250 -6.962 189 2HH1 ARG 23 2HH1 ARG 23 7.863 -5.931 -5.750 190 1HH2 ARG 23 1HH2 ARG 23 7.405 -3.327 -3.469 191 2HH2 ARG 23 2HH2 ARG 23 8.186 -4.843 -3.767 192 HA PRO 24 HA PRO 24 2.175 -0.366 -10.081 193 1HB PRO 24 2HB PRO 24 1.159 -0.974 -12.542 194 2HB PRO 24 1HB PRO 24 2.855 -1.233 -12.094 195 1HG PRO 24 2HG PRO 24 0.556 -3.165 -11.900 196 2HG PRO 24 1HG PRO 24 2.095 -3.396 -12.760 197 1HD PRO 24 2HD PRO 24 1.925 -4.402 -10.392 198 2HD PRO 24 1HD PRO 24 3.330 -3.372 -10.703 199 H VAL 25 H VAL 25 -0.723 -2.465 -10.169 200 HA VAL 25 HA VAL 25 -2.918 -1.990 -10.062 201 HB VAL 25 HB VAL 25 -2.252 -0.548 -8.109 202 1HG1 VAL 25 1HG1 VAL 25 -2.714 1.996 -8.776 203 2HG1 VAL 25 2HG1 VAL 25 -1.944 1.455 -10.263 204 3HG1 VAL 25 3HG1 VAL 25 -1.097 1.299 -8.721 205 1HG2 VAL 25 1HG2 VAL 25 -4.536 -0.872 -8.310 206 2HG2 VAL 25 2HG2 VAL 25 -4.650 0.066 -9.789 207 3HG2 VAL 25 3HG2 VAL 25 -4.389 0.877 -8.248 208 H CYS 26 H CYS 26 -1.183 -1.336 -12.417 209 HA CYS 26 HA CYS 26 -3.280 -0.208 -14.028 210 1HB CYS 26 2HB CYS 26 -2.040 1.781 -13.062 211 2HB CYS 26 1HB CYS 26 -0.643 1.257 -13.994 212 HG CYS 26 HG CYS 26 -1.995 1.742 -16.172 Start of MODEL 3 1 1H GLY 1 1HT GLY 1 2.764 11.294 10.540 2 2H GLY 1 2HT GLY 1 4.171 12.085 11.041 3 3H GLY 1 3HT GLY 1 2.664 12.606 11.604 4 1HA GLY 1 1HA GLY 1 3.980 10.020 12.223 5 2HA GLY 1 2HA GLY 1 3.787 11.373 13.326 6 H ASN 2 H ASN 2 1.077 11.058 11.343 7 HA ASN 2 HA ASN 2 -0.491 10.094 13.561 8 1HB ASN 2 2HB ASN 2 -1.309 10.907 10.765 9 2HB ASN 2 1HB ASN 2 -2.419 10.523 12.077 10 1HD2 ASN 2 1HD2 ASN 2 -0.292 12.859 10.724 11 2HD2 ASN 2 2HD2 ASN 2 -0.656 14.145 11.818 12 H ASP 3 H ASP 3 -1.568 8.192 13.685 13 HA ASP 3 HA ASP 3 -0.489 5.915 12.492 14 1HB ASP 3 2HB ASP 3 -2.461 6.532 14.439 15 2HB ASP 3 1HB ASP 3 -3.122 5.324 13.343 16 H TYR 4 H TYR 4 -2.510 8.090 11.029 17 HA TYR 4 HA TYR 4 -3.932 6.196 9.359 18 1HB TYR 4 2HB TYR 4 -4.979 8.197 8.321 19 2HB TYR 4 1HB TYR 4 -5.272 8.075 10.046 20 HD1 TYR 4 1HD TYR 4 -5.095 9.993 11.296 21 HD2 TYR 4 2HD TYR 4 -2.866 9.712 7.683 22 HE1 TYR 4 1HE TYR 4 -4.368 12.326 11.572 23 HE2 TYR 4 2HE TYR 4 -2.129 12.046 7.956 24 HH TYR 4 HH TYR 4 -2.919 13.912 10.837 25 H GLU 5 H GLU 5 -1.354 8.466 9.326 26 HA GLU 5 HA GLU 5 -0.779 8.171 6.572 27 1HB GLU 5 2HB GLU 5 0.219 9.861 8.758 28 2HB GLU 5 1HB GLU 5 1.474 9.295 7.662 29 1HG GLU 5 2HG GLU 5 -0.043 10.140 5.786 30 2HG GLU 5 1HG GLU 5 -0.910 10.999 7.055 31 H ASP 6 H ASP 6 0.112 7.234 9.695 32 HA ASP 6 HA ASP 6 2.320 5.629 9.230 33 1HB ASP 6 2HB ASP 6 0.759 6.453 11.369 34 2HB ASP 6 1HB ASP 6 0.498 4.717 11.307 35 H ARG 7 H ARG 7 -1.093 4.838 9.717 36 HA ARG 7 HA ARG 7 -0.773 2.171 8.696 37 1HB ARG 7 2HB ARG 7 -2.841 3.541 10.089 38 2HB ARG 7 1HB ARG 7 -3.523 2.957 8.583 39 1HG ARG 7 2HG ARG 7 -2.255 0.745 9.319 40 2HG ARG 7 1HG ARG 7 -2.496 1.454 10.916 41 1HD ARG 7 2HD ARG 7 -4.455 0.321 10.757 42 2HD ARG 7 1HD ARG 7 -4.951 1.806 9.947 43 HE ARG 7 HE ARG 7 -5.296 0.551 8.086 44 1HH1 ARG 7 1HH1 ARG 7 -2.852 -1.044 10.004 45 2HH1 ARG 7 2HH1 ARG 7 -2.688 -2.376 8.911 46 1HH2 ARG 7 1HH2 ARG 7 -5.083 -1.206 6.651 47 2HH2 ARG 7 2HH2 ARG 7 -3.951 -2.468 7.008 48 H TYR 8 H TYR 8 -1.263 5.288 7.362 49 HA TYR 8 HA TYR 8 -2.605 4.761 4.958 50 1HB TYR 8 2HB TYR 8 -1.943 6.993 4.925 51 2HB TYR 8 1HB TYR 8 -0.524 6.667 5.863 52 HD1 TYR 8 1HD TYR 8 -1.726 5.734 2.482 53 HD2 TYR 8 2HD TYR 8 1.598 6.999 4.763 54 HE1 TYR 8 1HE TYR 8 -0.387 5.847 0.440 55 HE2 TYR 8 2HE TYR 8 2.948 7.125 2.745 56 HH TYR 8 HH TYR 8 2.713 7.315 0.373 57 H TYR 9 H TYR 9 0.650 4.853 5.983 58 HA TYR 9 HA TYR 9 1.502 3.790 3.613 59 1HB TYR 9 2HB TYR 9 2.973 5.331 4.734 60 2HB TYR 9 1HB TYR 9 3.038 4.266 6.158 61 HD1 TYR 9 1HD TYR 9 3.601 4.452 2.619 62 HD2 TYR 9 2HD TYR 9 4.519 2.413 6.237 63 HE1 TYR 9 1HE TYR 9 5.237 3.032 1.380 64 HE2 TYR 9 2HE TYR 9 6.233 1.053 5.047 65 HH TYR 9 HH TYR 9 7.511 0.994 3.055 66 H ARG 10 H ARG 10 1.060 2.548 6.847 67 HA ARG 10 HA ARG 10 2.493 0.165 6.427 68 1HB ARG 10 2HB ARG 10 1.870 0.834 8.596 69 2HB ARG 10 1HB ARG 10 0.144 0.748 8.213 70 1HG ARG 10 2HG ARG 10 0.775 -1.177 9.526 71 2HG ARG 10 1HG ARG 10 0.364 -1.688 7.888 72 1HD ARG 10 2HD ARG 10 2.438 -2.723 8.922 73 2HD ARG 10 1HD ARG 10 2.614 -2.028 7.314 74 HE ARG 10 HE ARG 10 3.501 -0.704 9.796 75 1HH1 ARG 10 1HH1 ARG 10 3.880 -1.356 6.379 76 2HH1 ARG 10 2HH1 ARG 10 5.331 -0.425 6.243 77 1HH2 ARG 10 1HH2 ARG 10 5.408 0.514 9.603 78 2HH2 ARG 10 2HH2 ARG 10 6.196 0.635 8.065 79 H GLU 11 H GLU 11 -0.416 1.422 5.286 80 HA GLU 11 HA GLU 11 -1.657 -0.924 4.265 81 1HB GLU 11 2HB GLU 11 -2.708 1.368 4.544 82 2HB GLU 11 1HB GLU 11 -1.776 1.860 3.137 83 1HG GLU 11 2HG GLU 11 -2.917 0.406 1.712 84 2HG GLU 11 1HG GLU 11 -3.611 -0.501 3.053 85 H ASN 12 H ASN 12 1.346 0.212 3.635 86 HA ASN 12 HA ASN 12 1.499 0.209 0.829 87 1HB ASN 12 2HB ASN 12 3.847 0.233 1.069 88 2HB ASN 12 1HB ASN 12 3.211 1.238 2.359 89 1HD2 ASN 12 1HD2 ASN 12 5.571 -0.749 1.712 90 2HD2 ASN 12 2HD2 ASN 12 5.798 -1.529 3.243 91 H MET 13 H MET 13 0.652 -2.136 2.946 92 HA MET 13 HA MET 13 1.970 -4.220 1.603 93 1HB MET 13 2HB MET 13 0.401 -5.730 2.870 94 2HB MET 13 1HB MET 13 1.380 -4.695 3.897 95 1HG MET 13 2HG MET 13 -0.583 -3.113 3.970 96 2HG MET 13 1HG MET 13 -1.525 -4.386 3.196 97 1HE MET 13 1HE MET 13 0.982 -3.631 5.790 98 2HE MET 13 2HE MET 13 0.776 -4.845 7.053 99 3HE MET 13 3HE MET 13 -0.201 -3.377 7.071 100 H TYR 14 H TYR 14 -0.556 -2.176 1.118 101 HA TYR 14 HA TYR 14 -1.969 -3.909 -0.621 102 1HB TYR 14 2HB TYR 14 -3.621 -2.292 -0.710 103 2HB TYR 14 1HB TYR 14 -2.797 -1.669 0.717 104 HD1 TYR 14 1HD TYR 14 -4.274 -0.562 -2.126 105 HD2 TYR 14 2HD TYR 14 -0.506 -0.313 -0.171 106 HE1 TYR 14 1HE TYR 14 -3.782 1.517 -3.349 107 HE2 TYR 14 2HE TYR 14 0.005 1.750 -1.397 108 HH TYR 14 HH TYR 14 -0.897 3.418 -2.668 109 H ARG 15 H ARG 15 0.634 -1.948 -0.480 110 HA ARG 15 HA ARG 15 0.964 -1.213 -3.213 111 1HB ARG 15 2HB ARG 15 1.956 -0.464 -0.736 112 2HB ARG 15 1HB ARG 15 3.322 -1.263 -1.483 113 1HG ARG 15 2HG ARG 15 2.559 0.325 -3.485 114 2HG ARG 15 1HG ARG 15 2.011 1.280 -2.102 115 1HD ARG 15 2HD ARG 15 4.101 1.914 -1.664 116 2HD ARG 15 1HD ARG 15 4.608 0.230 -1.538 117 HE ARG 15 HE ARG 15 5.180 1.993 -3.666 118 1HH1 ARG 15 1HH1 ARG 15 4.310 -1.326 -3.023 119 2HH1 ARG 15 2HH1 ARG 15 5.038 -1.932 -4.468 120 1HH2 ARG 15 1HH2 ARG 15 6.153 1.198 -5.569 121 2HH2 ARG 15 2HH2 ARG 15 6.089 -0.499 -5.917 122 H TYR 16 H TYR 16 1.564 -3.902 -1.134 123 HA TYR 16 HA TYR 16 3.703 -5.109 -2.586 124 1HB TYR 16 2HB TYR 16 1.747 -6.025 -0.494 125 2HB TYR 16 1HB TYR 16 3.111 -6.983 -1.046 126 HD1 TYR 16 1HD TYR 16 2.763 -3.368 -0.084 127 HD2 TYR 16 2HD TYR 16 4.671 -7.134 0.512 128 HE1 TYR 16 1HE TYR 16 4.345 -2.334 1.471 129 HE2 TYR 16 2HE TYR 16 6.215 -6.093 2.120 130 HH TYR 16 HH TYR 16 6.218 -4.039 3.625 131 HA PRO 17 HA PRO 17 1.185 -7.935 -5.042 132 1HB PRO 17 2HB PRO 17 -0.512 -9.547 -3.590 133 2HB PRO 17 1HB PRO 17 1.000 -10.054 -4.349 134 1HG PRO 17 2HG PRO 17 0.422 -9.735 -1.549 135 2HG PRO 17 1HG PRO 17 1.926 -10.285 -2.300 136 1HD PRO 17 2HD PRO 17 1.422 -7.796 -1.026 137 2HD PRO 17 1HD PRO 17 2.893 -8.306 -1.849 138 H ASN 18 H ASN 18 0.106 -5.781 -4.880 139 HA ASN 18 HA ASN 18 -2.452 -5.497 -3.843 140 1HB ASN 18 2HB ASN 18 -2.200 -3.961 -6.266 141 2HB ASN 18 1HB ASN 18 -2.364 -3.405 -4.619 142 1HD2 ASN 18 1HD2 ASN 18 0.184 -4.956 -6.582 143 2HD2 ASN 18 2HD2 ASN 18 1.440 -3.885 -6.059 144 H GLN 19 H GLN 19 -4.058 -6.529 -4.271 145 HA GLN 19 HA GLN 19 -4.761 -8.580 -5.574 146 1HB GLN 19 2HB GLN 19 -7.050 -7.829 -5.549 147 2HB GLN 19 1HB GLN 19 -6.196 -7.107 -4.181 148 1HG GLN 19 2HG GLN 19 -6.493 -5.708 -6.829 149 2HG GLN 19 1HG GLN 19 -7.675 -5.543 -5.543 150 1HE2 GLN 19 1HE2 GLN 19 -4.498 -4.570 -6.705 151 2HE2 GLN 19 2HE2 GLN 19 -4.184 -3.467 -5.410 152 H VAL 20 H VAL 20 -3.484 -6.486 -7.634 153 HA VAL 20 HA VAL 20 -4.379 -7.714 -9.951 154 HB VAL 20 HB VAL 20 -6.498 -6.729 -9.780 155 1HG1 VAL 20 1HG1 VAL 20 -6.503 -4.082 -9.586 156 2HG1 VAL 20 2HG1 VAL 20 -4.985 -4.391 -8.752 157 3HG1 VAL 20 3HG1 VAL 20 -6.478 -5.096 -8.150 158 1HG2 VAL 20 1HG2 VAL 20 -6.671 -5.385 -11.681 159 2HG2 VAL 20 2HG2 VAL 20 -5.262 -6.412 -11.951 160 3HG2 VAL 20 3HG2 VAL 20 -5.050 -4.734 -11.447 161 H TYR 21 H TYR 21 -3.246 -4.960 -8.314 162 HA TYR 21 HA TYR 21 -2.100 -3.504 -10.413 163 1HB TYR 21 2HB TYR 21 -1.192 -4.117 -7.596 164 2HB TYR 21 1HB TYR 21 -0.399 -2.948 -8.578 165 HD1 TYR 21 1HD TYR 21 -0.776 -1.626 -6.542 166 HD2 TYR 21 2HD TYR 21 -3.892 -2.943 -9.111 167 HE1 TYR 21 1HE TYR 21 -2.306 0.080 -5.554 168 HE2 TYR 21 2HE TYR 21 -5.430 -1.257 -8.160 169 HH TYR 21 HH TYR 21 -4.437 1.329 -6.356 170 H TYR 22 H TYR 22 -1.435 -6.685 -9.365 171 HA TYR 22 HA TYR 22 0.404 -8.005 -9.639 172 1HB TYR 22 2HB TYR 22 1.222 -6.991 -12.215 173 2HB TYR 22 1HB TYR 22 0.291 -8.444 -11.875 174 HD1 TYR 22 1HD TYR 22 -1.899 -8.595 -12.824 175 HD2 TYR 22 2HD TYR 22 -0.261 -4.721 -12.134 176 HE1 TYR 22 1HE TYR 22 -3.811 -7.570 -13.958 177 HE2 TYR 22 2HE TYR 22 -2.175 -3.702 -13.188 178 HH TYR 22 HH TYR 22 -4.048 -4.993 -15.232 179 H ARG 23 H ARG 23 0.500 -5.135 -8.707 180 HA ARG 23 HA ARG 23 2.065 -3.991 -7.505 181 1HB ARG 23 2HB ARG 23 3.739 -5.909 -8.350 182 2HB ARG 23 1HB ARG 23 4.351 -4.560 -9.301 183 1HG ARG 23 2HG ARG 23 4.676 -3.250 -7.292 184 2HG ARG 23 1HG ARG 23 3.982 -4.543 -6.313 185 1HD ARG 23 2HD ARG 23 6.192 -5.396 -8.039 186 2HD ARG 23 1HD ARG 23 6.645 -4.206 -6.821 187 HE ARG 23 HE ARG 23 5.338 -6.776 -6.195 188 1HH1 ARG 23 1HH1 ARG 23 7.627 -4.243 -5.428 189 2HH1 ARG 23 2HH1 ARG 23 8.168 -5.011 -3.976 190 1HH2 ARG 23 1HH2 ARG 23 6.054 -7.773 -4.289 191 2HH2 ARG 23 2HH2 ARG 23 7.277 -7.011 -3.328 192 HA PRO 24 HA PRO 24 3.366 -1.157 -11.343 193 1HB PRO 24 2HB PRO 24 1.628 -1.582 -13.448 194 2HB PRO 24 1HB PRO 24 3.292 -2.183 -13.385 195 1HG PRO 24 2HG PRO 24 0.755 -3.568 -12.562 196 2HG PRO 24 1HG PRO 24 2.040 -4.175 -13.628 197 1HD PRO 24 2HD PRO 24 2.059 -4.968 -11.163 198 2HD PRO 24 1HD PRO 24 3.583 -4.333 -11.806 199 H VAL 25 H VAL 25 0.034 -2.365 -10.770 200 HA VAL 25 HA VAL 25 -1.743 -1.248 -9.952 201 HB VAL 25 HB VAL 25 -0.208 1.339 -10.136 202 1HG1 VAL 25 1HG1 VAL 25 -2.008 1.300 -7.967 203 2HG1 VAL 25 2HG1 VAL 25 -2.877 0.693 -9.376 204 3HG1 VAL 25 3HG1 VAL 25 -2.090 2.269 -9.440 205 1HG2 VAL 25 1HG2 VAL 25 0.297 -0.888 -8.431 206 2HG2 VAL 25 2HG2 VAL 25 -0.335 0.440 -7.457 207 3HG2 VAL 25 3HG2 VAL 25 1.093 0.685 -8.462 208 H CYS 26 H CYS 26 -0.986 -1.556 -12.815 209 HA CYS 26 HA CYS 26 -1.780 -0.995 -14.877 210 1HB CYS 26 2HB CYS 26 -3.864 -1.644 -13.615 211 2HB CYS 26 1HB CYS 26 -4.154 0.070 -13.343 212 HG CYS 26 HG CYS 26 -5.242 -1.234 -15.609 Start of MODEL 4 1 1H GLY 1 1HT GLY 1 4.567 10.247 13.161 2 2H GLY 1 2HT GLY 1 4.139 9.623 11.649 3 3H GLY 1 3HT GLY 1 3.382 9.045 13.046 4 1HA GLY 1 1HA GLY 1 2.965 11.757 13.115 5 2HA GLY 1 2HA GLY 1 2.730 11.304 11.434 6 H ASN 2 H ASN 2 0.607 11.195 11.095 7 HA ASN 2 HA ASN 2 -1.213 10.342 13.156 8 1HB ASN 2 2HB ASN 2 -1.744 11.028 10.256 9 2HB ASN 2 1HB ASN 2 -2.963 10.822 11.510 10 1HD2 ASN 2 1HD2 ASN 2 -1.193 13.026 9.837 11 2HD2 ASN 2 2HD2 ASN 2 -1.301 14.367 10.920 12 H ASP 3 H ASP 3 -2.369 8.482 13.222 13 HA ASP 3 HA ASP 3 -1.255 6.125 12.211 14 1HB ASP 3 2HB ASP 3 -3.459 6.907 13.877 15 2HB ASP 3 1HB ASP 3 -3.938 5.587 12.816 16 H TYR 4 H TYR 4 -2.959 8.328 10.473 17 HA TYR 4 HA TYR 4 -4.398 6.481 8.771 18 1HB TYR 4 2HB TYR 4 -5.489 8.316 7.833 19 2HB TYR 4 1HB TYR 4 -5.265 8.818 9.503 20 HD1 TYR 4 1HD TYR 4 -4.198 10.841 9.987 21 HD2 TYR 4 2HD TYR 4 -3.792 9.161 6.100 22 HE1 TYR 4 1HE TYR 4 -3.099 12.899 9.219 23 HE2 TYR 4 2HE TYR 4 -2.690 11.218 5.321 24 HH TYR 4 HH TYR 4 -2.602 13.614 5.961 25 H GLU 5 H GLU 5 -1.688 8.633 8.777 26 HA GLU 5 HA GLU 5 -0.934 8.021 6.126 27 1HB GLU 5 2HB GLU 5 1.231 9.296 6.879 28 2HB GLU 5 1HB GLU 5 -0.232 10.190 6.508 29 1HG GLU 5 2HG GLU 5 -0.289 11.052 8.539 30 2HG GLU 5 1HG GLU 5 -0.199 9.458 9.273 31 H ASP 6 H ASP 6 -0.197 7.489 9.372 32 HA ASP 6 HA ASP 6 2.018 5.854 9.240 33 1HB ASP 6 2HB ASP 6 0.293 6.848 11.169 34 2HB ASP 6 1HB ASP 6 0.039 5.115 11.245 35 H ARG 7 H ARG 7 -1.397 5.027 9.584 36 HA ARG 7 HA ARG 7 -0.976 2.287 8.839 37 1HB ARG 7 2HB ARG 7 -2.938 3.433 10.263 38 2HB ARG 7 1HB ARG 7 -3.716 3.440 8.687 39 1HG ARG 7 2HG ARG 7 -4.311 1.334 9.015 40 2HG ARG 7 1HG ARG 7 -2.605 0.876 9.033 41 1HD ARG 7 2HD ARG 7 -2.474 1.143 11.393 42 2HD ARG 7 1HD ARG 7 -4.055 1.919 11.456 43 HE ARG 7 HE ARG 7 -5.023 -0.148 11.499 44 1HH1 ARG 7 1HH1 ARG 7 -1.741 -0.482 10.361 45 2HH1 ARG 7 2HH1 ARG 7 -1.766 -2.212 10.415 46 1HH2 ARG 7 1HH2 ARG 7 -5.059 -2.423 11.569 47 2HH2 ARG 7 2HH2 ARG 7 -3.651 -3.315 11.097 48 H TYR 8 H TYR 8 -1.475 5.260 7.182 49 HA TYR 8 HA TYR 8 -2.676 4.441 4.778 50 1HB TYR 8 2HB TYR 8 -2.099 6.683 4.548 51 2HB TYR 8 1HB TYR 8 -0.724 6.519 5.586 52 HD1 TYR 8 1HD TYR 8 -1.685 5.163 2.269 53 HD2 TYR 8 2HD TYR 8 1.423 6.888 4.558 54 HE1 TYR 8 1HE TYR 8 -0.239 5.140 0.298 55 HE2 TYR 8 2HE TYR 8 2.874 6.882 2.610 56 HH TYR 8 HH TYR 8 2.015 6.724 -0.344 57 H TYR 9 H TYR 9 0.504 4.764 5.953 58 HA TYR 9 HA TYR 9 1.557 3.554 3.751 59 1HB TYR 9 2HB TYR 9 2.884 5.209 4.894 60 2HB TYR 9 1HB TYR 9 2.870 4.221 6.373 61 HD1 TYR 9 1HD TYR 9 3.700 4.242 2.881 62 HD2 TYR 9 2HD TYR 9 4.404 2.446 6.670 63 HE1 TYR 9 1HE TYR 9 5.497 2.848 1.862 64 HE2 TYR 9 2HE TYR 9 6.267 1.110 5.704 65 HH TYR 9 HH TYR 9 7.865 1.449 3.510 66 H ARG 10 H ARG 10 0.915 2.489 7.018 67 HA ARG 10 HA ARG 10 2.410 0.117 6.775 68 1HB ARG 10 2HB ARG 10 1.645 0.861 8.884 69 2HB ARG 10 1HB ARG 10 -0.054 0.694 8.411 70 1HG ARG 10 2HG ARG 10 0.856 -1.138 9.887 71 2HG ARG 10 1HG ARG 10 0.086 -1.675 8.395 72 1HD ARG 10 2HD ARG 10 2.291 -2.783 9.037 73 2HD ARG 10 1HD ARG 10 2.137 -2.183 7.388 74 HE ARG 10 HE ARG 10 3.474 -0.572 9.454 75 1HH1 ARG 10 1HH1 ARG 10 3.564 -2.225 6.371 76 2HH1 ARG 10 2HH1 ARG 10 5.088 -1.544 5.917 77 1HH2 ARG 10 1HH2 ARG 10 5.473 0.318 8.846 78 2HH2 ARG 10 2HH2 ARG 10 6.171 -0.107 7.318 79 H GLU 11 H GLU 11 -0.442 1.294 5.437 80 HA GLU 11 HA GLU 11 -1.568 -1.115 4.400 81 1HB GLU 11 2HB GLU 11 -2.637 1.224 4.619 82 2HB GLU 11 1HB GLU 11 -1.771 1.587 3.130 83 1HG GLU 11 2HG GLU 11 -2.946 0.007 1.901 84 2HG GLU 11 1HG GLU 11 -3.541 -0.811 3.343 85 H ASN 12 H ASN 12 1.439 -0.077 3.913 86 HA ASN 12 HA ASN 12 1.769 0.082 1.132 87 1HB ASN 12 2HB ASN 12 3.445 0.452 3.245 88 2HB ASN 12 1HB ASN 12 3.958 -1.132 2.686 89 1HD2 ASN 12 1HD2 ASN 12 5.646 -0.980 1.388 90 2HD2 ASN 12 2HD2 ASN 12 5.913 0.249 0.207 91 H MET 13 H MET 13 0.742 -2.391 3.142 92 HA MET 13 HA MET 13 1.926 -4.443 1.657 93 1HB MET 13 2HB MET 13 -0.089 -4.314 3.830 94 2HB MET 13 1HB MET 13 -0.150 -5.727 2.786 95 1HG MET 13 2HG MET 13 2.060 -6.362 3.380 96 2HG MET 13 1HG MET 13 2.340 -4.834 4.210 97 1HE MET 13 1HE MET 13 0.594 -4.166 6.446 98 2HE MET 13 2HE MET 13 2.299 -4.603 6.548 99 3HE MET 13 3HE MET 13 1.139 -5.313 7.671 100 H TYR 14 H TYR 14 -0.502 -2.253 1.264 101 HA TYR 14 HA TYR 14 -1.971 -3.830 -0.550 102 1HB TYR 14 2HB TYR 14 -3.555 -2.152 -0.544 103 2HB TYR 14 1HB TYR 14 -2.671 -1.599 0.877 104 HD1 TYR 14 1HD TYR 14 -4.160 -0.373 -1.909 105 HD2 TYR 14 2HD TYR 14 -0.351 -0.317 -0.019 106 HE1 TYR 14 1HE TYR 14 -3.607 1.710 -3.099 107 HE2 TYR 14 2HE TYR 14 0.223 1.746 -1.218 108 HH TYR 14 HH TYR 14 -0.432 2.983 -3.192 109 H ARG 15 H ARG 15 0.732 -1.982 -0.375 110 HA ARG 15 HA ARG 15 1.043 -1.225 -3.109 111 1HB ARG 15 2HB ARG 15 2.195 -0.625 -0.603 112 2HB ARG 15 1HB ARG 15 3.478 -1.346 -1.556 113 1HG ARG 15 2HG ARG 15 2.446 0.402 -3.326 114 2HG ARG 15 1HG ARG 15 2.140 1.239 -1.799 115 1HD ARG 15 2HD ARG 15 4.281 1.820 -1.653 116 2HD ARG 15 1HD ARG 15 4.765 0.127 -1.719 117 HE ARG 15 HE ARG 15 5.014 2.040 -3.799 118 1HH1 ARG 15 1HH1 ARG 15 4.319 -1.335 -3.230 119 2HH1 ARG 15 2HH1 ARG 15 4.882 -1.844 -4.783 120 1HH2 ARG 15 1HH2 ARG 15 5.760 1.369 -5.847 121 2HH2 ARG 15 2HH2 ARG 15 5.705 -0.311 -6.267 122 H TYR 16 H TYR 16 1.573 -3.948 -1.056 123 HA TYR 16 HA TYR 16 3.629 -5.216 -2.574 124 1HB TYR 16 2HB TYR 16 1.743 -6.082 -0.401 125 2HB TYR 16 1HB TYR 16 3.086 -7.052 -0.985 126 HD1 TYR 16 1HD TYR 16 2.810 -3.416 -0.070 127 HD2 TYR 16 2HD TYR 16 4.662 -7.198 0.554 128 HE1 TYR 16 1HE TYR 16 4.440 -2.372 1.444 129 HE2 TYR 16 2HE TYR 16 6.253 -6.159 2.114 130 HH TYR 16 HH TYR 16 7.142 -3.371 2.257 131 HA PRO 17 HA PRO 17 0.956 -8.037 -4.889 132 1HB PRO 17 2HB PRO 17 -0.792 -9.522 -3.367 133 2HB PRO 17 1HB PRO 17 0.694 -10.120 -4.113 134 1HG PRO 17 2HG PRO 17 0.146 -9.635 -1.317 135 2HG PRO 17 1HG PRO 17 1.594 -10.337 -2.048 136 1HD PRO 17 2HD PRO 17 1.329 -7.777 -0.882 137 2HD PRO 17 1HD PRO 17 2.718 -8.411 -1.760 138 H ASN 18 H ASN 18 -0.008 -5.818 -4.749 139 HA ASN 18 HA ASN 18 -2.570 -5.433 -3.732 140 1HB ASN 18 2HB ASN 18 -2.261 -3.860 -6.098 141 2HB ASN 18 1HB ASN 18 -2.328 -3.333 -4.433 142 1HD2 ASN 18 1HD2 ASN 18 0.032 -5.011 -6.518 143 2HD2 ASN 18 2HD2 ASN 18 1.369 -4.028 -6.043 144 H GLN 19 H GLN 19 -4.208 -6.394 -4.213 145 HA GLN 19 HA GLN 19 -4.975 -8.375 -5.599 146 1HB GLN 19 2HB GLN 19 -7.231 -7.530 -5.588 147 2HB GLN 19 1HB GLN 19 -6.373 -6.900 -4.178 148 1HG GLN 19 2HG GLN 19 -6.549 -5.369 -6.768 149 2HG GLN 19 1HG GLN 19 -7.772 -5.230 -5.512 150 1HE2 GLN 19 1HE2 GLN 19 -4.478 -4.368 -6.470 151 2HE2 GLN 19 2HE2 GLN 19 -4.198 -3.319 -5.123 152 H VAL 20 H VAL 20 -3.567 -6.287 -7.583 153 HA VAL 20 HA VAL 20 -4.507 -7.380 -9.946 154 HB VAL 20 HB VAL 20 -6.601 -6.321 -9.703 155 1HG1 VAL 20 1HG1 VAL 20 -6.971 -4.417 -8.547 156 2HG1 VAL 20 2HG1 VAL 20 -5.723 -3.554 -9.446 157 3HG1 VAL 20 3HG1 VAL 20 -5.282 -4.549 -8.064 158 1HG2 VAL 20 1HG2 VAL 20 -4.796 -4.791 -11.509 159 2HG2 VAL 20 2HG2 VAL 20 -6.504 -4.392 -11.377 160 3HG2 VAL 20 3HG2 VAL 20 -6.014 -5.999 -11.918 161 H TYR 21 H TYR 21 -3.328 -4.711 -8.199 162 HA TYR 21 HA TYR 21 -2.116 -3.204 -10.195 163 1HB TYR 21 2HB TYR 21 -1.257 -4.020 -7.427 164 2HB TYR 21 1HB TYR 21 -0.372 -2.854 -8.335 165 HD1 TYR 21 1HD TYR 21 -0.675 -1.556 -6.299 166 HD2 TYR 21 2HD TYR 21 -3.879 -2.671 -8.862 167 HE1 TYR 21 1HE TYR 21 -2.117 0.188 -5.251 168 HE2 TYR 21 2HE TYR 21 -5.328 -0.944 -7.860 169 HH TYR 21 HH TYR 21 -4.180 1.547 -5.964 170 H TYR 22 H TYR 22 -1.512 -6.458 -9.308 171 HA TYR 22 HA TYR 22 0.281 -7.811 -9.693 172 1HB TYR 22 2HB TYR 22 1.083 -6.669 -12.225 173 2HB TYR 22 1HB TYR 22 0.136 -8.127 -11.950 174 HD1 TYR 22 1HD TYR 22 -2.080 -8.193 -12.845 175 HD2 TYR 22 2HD TYR 22 -0.353 -4.385 -12.017 176 HE1 TYR 22 1HE TYR 22 -4.002 -7.083 -13.877 177 HE2 TYR 22 2HE TYR 22 -2.274 -3.283 -12.973 178 HH TYR 22 HH TYR 22 -5.136 -4.995 -13.878 179 H ARG 23 H ARG 23 0.480 -4.999 -8.620 180 HA ARG 23 HA ARG 23 2.087 -3.947 -7.403 181 1HB ARG 23 2HB ARG 23 3.692 -5.876 -8.165 182 2HB ARG 23 1HB ARG 23 4.290 -4.666 -9.297 183 1HG ARG 23 2HG ARG 23 4.597 -3.136 -7.326 184 2HG ARG 23 1HG ARG 23 4.264 -4.531 -6.297 185 1HD ARG 23 2HD ARG 23 6.238 -5.121 -8.342 186 2HD ARG 23 1HD ARG 23 6.733 -3.776 -7.319 187 HE ARG 23 HE ARG 23 6.173 -5.401 -5.420 188 1HH1 ARG 23 1HH1 ARG 23 7.463 -6.386 -8.522 189 2HH1 ARG 23 2HH1 ARG 23 8.239 -7.794 -7.884 190 1HH2 ARG 23 1HH2 ARG 23 7.200 -7.254 -4.595 191 2HH2 ARG 23 2HH2 ARG 23 8.092 -8.286 -5.663 192 HA PRO 24 HA PRO 24 3.359 -0.975 -11.093 193 1HB PRO 24 2HB PRO 24 1.715 -1.230 -13.263 194 2HB PRO 24 1HB PRO 24 3.321 -1.971 -13.169 195 1HG PRO 24 2HG PRO 24 0.657 -3.179 -12.465 196 2HG PRO 24 1HG PRO 24 1.898 -3.831 -13.557 197 1HD PRO 24 2HD PRO 24 1.819 -4.742 -11.125 198 2HD PRO 24 1HD PRO 24 3.398 -4.241 -11.750 199 H VAL 25 H VAL 25 0.086 -2.265 -10.593 200 HA VAL 25 HA VAL 25 -1.753 -1.319 -9.778 201 HB VAL 25 HB VAL 25 -1.717 0.554 -8.456 202 1HG1 VAL 25 1HG1 VAL 25 0.334 -1.102 -8.137 203 2HG1 VAL 25 2HG1 VAL 25 0.091 0.307 -7.106 204 3HG1 VAL 25 3HG1 VAL 25 1.239 0.379 -8.443 205 1HG2 VAL 25 1HG2 VAL 25 0.561 2.079 -9.345 206 2HG2 VAL 25 2HG2 VAL 25 -1.115 2.585 -9.138 207 3HG2 VAL 25 3HG2 VAL 25 -0.593 1.863 -10.659 208 H CYS 26 H CYS 26 -0.910 -1.157 -12.617 209 HA CYS 26 HA CYS 26 -1.831 -0.461 -14.581 210 1HB CYS 26 2HB CYS 26 -3.941 -0.796 -13.066 211 2HB CYS 26 1HB CYS 26 -4.011 0.961 -13.091 212 HG CYS 26 HG CYS 26 -5.445 -0.233 -15.032 Start of MODEL 5 1 1H GLY 1 1HT GLY 1 1.890 7.020 16.920 2 2H GLY 1 2HT GLY 1 3.346 7.082 16.062 3 3H GLY 1 3HT GLY 1 2.045 6.188 15.454 4 1HA GLY 1 1HA GLY 1 1.955 9.121 15.867 5 2HA GLY 1 2HA GLY 1 2.418 8.379 14.342 6 H ASN 2 H ASN 2 0.621 9.465 13.369 7 HA ASN 2 HA ASN 2 -2.049 8.745 14.223 8 1HB ASN 2 2HB ASN 2 -2.446 9.964 11.829 9 2HB ASN 2 1HB ASN 2 -2.330 10.811 13.363 10 1HD2 ASN 2 1HD2 ASN 2 -0.890 10.205 10.327 11 2HD2 ASN 2 2HD2 ASN 2 0.451 11.282 10.488 12 H ASP 3 H ASP 3 -3.180 7.102 13.551 13 HA ASP 3 HA ASP 3 -2.188 5.024 11.988 14 1HB ASP 3 2HB ASP 3 -4.554 5.641 13.465 15 2HB ASP 3 1HB ASP 3 -4.991 4.854 11.951 16 H TYR 4 H TYR 4 -3.242 7.908 10.784 17 HA TYR 4 HA TYR 4 -4.482 6.879 8.375 18 1HB TYR 4 2HB TYR 4 -5.048 9.111 7.811 19 2HB TYR 4 1HB TYR 4 -5.329 8.980 9.539 20 HD1 TYR 4 1HD TYR 4 -4.493 10.617 10.935 21 HD2 TYR 4 2HD TYR 4 -2.704 10.081 7.115 22 HE1 TYR 4 1HE TYR 4 -3.092 12.599 11.322 23 HE2 TYR 4 2HE TYR 4 -1.292 12.061 7.492 24 HH TYR 4 HH TYR 4 -1.065 13.596 10.571 25 H GLU 5 H GLU 5 -1.611 8.386 9.536 26 HA GLU 5 HA GLU 5 -0.342 8.462 7.004 27 1HB GLU 5 2HB GLU 5 0.147 10.248 8.661 28 2HB GLU 5 1HB GLU 5 0.808 9.026 9.740 29 1HG GLU 5 2HG GLU 5 2.077 8.817 7.196 30 2HG GLU 5 1HG GLU 5 2.129 10.493 7.737 31 H ASP 6 H ASP 6 -0.418 6.896 10.012 32 HA ASP 6 HA ASP 6 1.561 4.996 9.746 33 1HB ASP 6 2HB ASP 6 -0.428 5.704 11.564 34 2HB ASP 6 1HB ASP 6 -0.842 4.069 11.084 35 H ARG 7 H ARG 7 -1.926 4.766 9.223 36 HA ARG 7 HA ARG 7 -1.688 2.310 7.749 37 1HB ARG 7 2HB ARG 7 -3.741 2.862 9.074 38 2HB ARG 7 1HB ARG 7 -4.100 4.130 7.907 39 1HG ARG 7 2HG ARG 7 -4.884 2.692 6.387 40 2HG ARG 7 1HG ARG 7 -3.627 1.500 6.716 41 1HD ARG 7 2HD ARG 7 -6.193 1.955 8.223 42 2HD ARG 7 1HD ARG 7 -5.698 0.515 7.333 43 HE ARG 7 HE ARG 7 -5.057 1.158 10.029 44 1HH1 ARG 7 1HH1 ARG 7 -3.812 -0.424 7.176 45 2HH1 ARG 7 2HH1 ARG 7 -2.774 -1.484 8.066 46 1HH2 ARG 7 1HH2 ARG 7 -3.695 -0.236 11.198 47 2HH2 ARG 7 2HH2 ARG 7 -2.707 -1.379 10.350 48 H TYR 8 H TYR 8 -1.471 5.664 7.018 49 HA TYR 8 HA TYR 8 -2.262 5.779 4.334 50 1HB TYR 8 2HB TYR 8 -1.334 7.853 4.899 51 2HB TYR 8 1HB TYR 8 -0.189 7.135 5.988 52 HD1 TYR 8 1HD TYR 8 -0.789 6.918 2.331 53 HD2 TYR 8 2HD TYR 8 2.128 7.363 5.355 54 HE1 TYR 8 1HE TYR 8 0.940 7.125 0.612 55 HE2 TYR 8 2HE TYR 8 3.860 7.584 3.668 56 HH TYR 8 HH TYR 8 4.291 7.831 1.475 57 H TYR 9 H TYR 9 0.655 5.205 5.994 58 HA TYR 9 HA TYR 9 1.874 4.376 3.684 59 1HB TYR 9 2HB TYR 9 3.227 5.580 5.260 60 2HB TYR 9 1HB TYR 9 2.875 4.378 6.522 61 HD1 TYR 9 1HD TYR 9 4.212 4.844 3.227 62 HD2 TYR 9 2HD TYR 9 4.121 2.375 6.682 63 HE1 TYR 9 1HE TYR 9 5.933 3.366 2.190 64 HE2 TYR 9 2HE TYR 9 5.920 0.947 5.730 65 HH TYR 9 HH TYR 9 6.984 0.398 3.758 66 H ARG 10 H ARG 10 0.639 2.779 6.550 67 HA ARG 10 HA ARG 10 1.968 0.354 6.055 68 1HB ARG 10 2HB ARG 10 0.926 0.799 8.146 69 2HB ARG 10 1HB ARG 10 -0.684 0.809 7.406 70 1HG ARG 10 2HG ARG 10 -0.068 -1.305 8.630 71 2HG ARG 10 1HG ARG 10 -0.591 -1.524 6.960 72 1HD ARG 10 2HD ARG 10 1.415 -2.873 7.616 73 2HD ARG 10 1HD ARG 10 1.652 -1.830 6.217 74 HE ARG 10 HE ARG 10 2.579 -1.098 8.918 75 1HH1 ARG 10 1HH1 ARG 10 3.150 -1.374 5.470 76 2HH1 ARG 10 2HH1 ARG 10 4.718 -0.648 5.556 77 1HH2 ARG 10 1HH2 ARG 10 4.637 -0.154 9.012 78 2HH2 ARG 10 2HH2 ARG 10 5.562 0.039 7.562 79 H GLU 11 H GLU 11 -0.499 2.022 4.520 80 HA GLU 11 HA GLU 11 -1.683 -0.059 2.997 81 1HB GLU 11 2HB GLU 11 -2.598 2.251 3.259 82 2HB GLU 11 1HB GLU 11 -1.286 2.818 2.230 83 1HG GLU 11 2HG GLU 11 -2.061 1.615 0.376 84 2HG GLU 11 1HG GLU 11 -3.164 0.658 1.360 85 H ASN 12 H ASN 12 1.485 0.844 3.117 86 HA ASN 12 HA ASN 12 2.251 0.949 0.402 87 1HB ASN 12 2HB ASN 12 3.564 1.204 2.848 88 2HB ASN 12 1HB ASN 12 4.214 -0.269 2.152 89 1HD2 ASN 12 1HD2 ASN 12 5.785 -0.073 0.681 90 2HD2 ASN 12 2HD2 ASN 12 6.230 1.392 -0.108 91 H MET 13 H MET 13 0.849 -1.401 2.317 92 HA MET 13 HA MET 13 2.187 -3.574 1.145 93 1HB MET 13 2HB MET 13 -0.506 -3.559 2.517 94 2HB MET 13 1HB MET 13 0.461 -4.985 2.163 95 1HG MET 13 2HG MET 13 1.439 -2.778 3.939 96 2HG MET 13 1HG MET 13 0.496 -4.136 4.544 97 1HE MET 13 1HE MET 13 4.432 -4.436 5.474 98 2HE MET 13 2HE MET 13 2.966 -3.552 5.905 99 3HE MET 13 3HE MET 13 4.011 -2.954 4.615 100 H TYR 14 H TYR 14 -0.115 -1.343 0.293 101 HA TYR 14 HA TYR 14 -1.336 -2.960 -1.654 102 1HB TYR 14 2HB TYR 14 -2.822 -1.223 -1.997 103 2HB TYR 14 1HB TYR 14 -2.172 -0.656 -0.461 104 HD1 TYR 14 1HD TYR 14 -3.229 0.658 -3.325 105 HD2 TYR 14 2HD TYR 14 0.407 0.401 -1.139 106 HE1 TYR 14 1HE TYR 14 -2.411 2.689 -4.455 107 HE2 TYR 14 2HE TYR 14 1.248 2.396 -2.282 108 HH TYR 14 HH TYR 14 -0.304 3.774 -4.993 109 H ARG 15 H ARG 15 1.432 -1.262 -1.200 110 HA ARG 15 HA ARG 15 2.122 -0.736 -3.928 111 1HB ARG 15 2HB ARG 15 3.030 -0.008 -1.314 112 2HB ARG 15 1HB ARG 15 4.376 -0.754 -2.160 113 1HG ARG 15 2HG ARG 15 3.340 0.962 -4.030 114 2HG ARG 15 1HG ARG 15 3.129 1.841 -2.513 115 1HD ARG 15 2HD ARG 15 5.281 2.393 -2.564 116 2HD ARG 15 1HD ARG 15 5.698 0.687 -2.420 117 HE ARG 15 HE ARG 15 6.138 2.281 -4.658 118 1HH1 ARG 15 1HH1 ARG 15 4.806 -0.865 -3.911 119 2HH1 ARG 15 2HH1 ARG 15 5.183 -1.530 -5.455 120 1HH2 ARG 15 1HH2 ARG 15 6.667 1.390 -6.680 121 2HH2 ARG 15 2HH2 ARG 15 6.260 -0.258 -7.024 122 H TYR 16 H TYR 16 2.228 -3.232 -1.573 123 HA TYR 16 HA TYR 16 4.319 -4.819 -2.746 124 1HB TYR 16 2HB TYR 16 2.265 -5.335 -0.589 125 2HB TYR 16 1HB TYR 16 3.652 -6.350 -0.932 126 HD1 TYR 16 1HD TYR 16 3.349 -2.616 -0.570 127 HD2 TYR 16 2HD TYR 16 5.077 -6.272 0.787 128 HE1 TYR 16 1HE TYR 16 4.859 -1.374 0.901 129 HE2 TYR 16 2HE TYR 16 6.526 -5.013 2.306 130 HH TYR 16 HH TYR 16 6.868 -1.581 2.130 131 HA PRO 17 HA PRO 17 1.611 -7.735 -4.880 132 1HB PRO 17 2HB PRO 17 0.296 -9.265 -2.903 133 2HB PRO 17 1HB PRO 17 1.493 -9.831 -4.073 134 1HG PRO 17 2HG PRO 17 1.943 -9.658 -1.351 135 2HG PRO 17 1HG PRO 17 3.213 -9.644 -2.584 136 1HD PRO 17 2HD PRO 17 2.146 -7.428 -0.960 137 2HD PRO 17 1HD PRO 17 3.717 -7.591 -1.757 138 H ASN 18 H ASN 18 0.439 -5.742 -4.838 139 HA ASN 18 HA ASN 18 -1.911 -5.344 -3.436 140 1HB ASN 18 2HB ASN 18 -2.324 -4.164 -5.937 141 2HB ASN 18 1HB ASN 18 -1.724 -3.379 -4.489 142 1HD2 ASN 18 1HD2 ASN 18 -0.604 -1.996 -5.865 143 2HD2 ASN 18 2HD2 ASN 18 0.942 -2.425 -6.517 144 H GLN 19 H GLN 19 -3.517 -6.497 -3.404 145 HA GLN 19 HA GLN 19 -4.287 -8.754 -4.248 146 1HB GLN 19 2HB GLN 19 -6.598 -8.109 -4.006 147 2HB GLN 19 1HB GLN 19 -5.610 -7.162 -2.890 148 1HG GLN 19 2HG GLN 19 -6.326 -6.154 -5.638 149 2HG GLN 19 1HG GLN 19 -7.369 -5.890 -4.246 150 1HE2 GLN 19 1HE2 GLN 19 -4.405 -4.949 -5.862 151 2HE2 GLN 19 2HE2 GLN 19 -4.009 -3.665 -4.772 152 H VAL 20 H VAL 20 -3.609 -6.713 -6.686 153 HA VAL 20 HA VAL 20 -4.597 -8.393 -8.699 154 HB VAL 20 HB VAL 20 -6.776 -7.542 -8.360 155 1HG1 VAL 20 1HG1 VAL 20 -5.365 -5.225 -7.459 156 2HG1 VAL 20 2HG1 VAL 20 -7.092 -5.543 -7.333 157 3HG1 VAL 20 3HG1 VAL 20 -6.448 -4.725 -8.756 158 1HG2 VAL 20 1HG2 VAL 20 -7.256 -6.721 -10.456 159 2HG2 VAL 20 2HG2 VAL 20 -5.655 -7.422 -10.706 160 3HG2 VAL 20 3HG2 VAL 20 -5.830 -5.683 -10.476 161 H TYR 21 H TYR 21 -3.492 -5.339 -7.598 162 HA TYR 21 HA TYR 21 -2.844 -4.209 -10.088 163 1HB TYR 21 2HB TYR 21 -1.730 -4.168 -7.316 164 2HB TYR 21 1HB TYR 21 -0.967 -3.233 -8.548 165 HD1 TYR 21 1HD TYR 21 -1.306 -1.342 -7.162 166 HD2 TYR 21 2HD TYR 21 -4.560 -3.577 -8.696 167 HE1 TYR 21 1HE TYR 21 -2.839 0.517 -6.577 168 HE2 TYR 21 2HE TYR 21 -6.121 -1.734 -8.142 169 HH TYR 21 HH TYR 21 -5.042 1.100 -6.336 170 H TYR 22 H TYR 22 -1.706 -7.035 -8.564 171 HA TYR 22 HA TYR 22 0.233 -8.203 -8.822 172 1HB TYR 22 2HB TYR 22 0.584 -7.761 -11.642 173 2HB TYR 22 1HB TYR 22 -0.161 -9.148 -10.859 174 HD1 TYR 22 1HD TYR 22 -2.398 -9.660 -11.504 175 HD2 TYR 22 2HD TYR 22 -1.099 -5.613 -11.766 176 HE1 TYR 22 1HE TYR 22 -4.522 -9.033 -12.554 177 HE2 TYR 22 2HE TYR 22 -3.211 -4.970 -12.737 178 HH TYR 22 HH TYR 22 -5.892 -6.657 -12.644 179 H ARG 23 H ARG 23 0.092 -5.179 -8.604 180 HA ARG 23 HA ARG 23 1.604 -3.623 -7.948 181 1HB ARG 23 2HB ARG 23 3.382 -5.609 -8.506 182 2HB ARG 23 1HB ARG 23 3.830 -4.408 -9.713 183 1HG ARG 23 2HG ARG 23 4.431 -2.843 -8.130 184 2HG ARG 23 1HG ARG 23 3.441 -3.587 -6.872 185 1HD ARG 23 2HD ARG 23 5.897 -4.876 -8.056 186 2HD ARG 23 1HD ARG 23 5.913 -3.893 -6.593 187 HE ARG 23 HE ARG 23 4.092 -6.167 -6.656 188 1HH1 ARG 23 1HH1 ARG 23 7.132 -4.840 -5.551 189 2HH1 ARG 23 2HH1 ARG 23 7.316 -6.004 -4.282 190 1HH2 ARG 23 1HH2 ARG 23 4.341 -7.693 -4.991 191 2HH2 ARG 23 2HH2 ARG 23 5.736 -7.623 -3.967 192 HA PRO 24 HA PRO 24 2.310 -1.967 -12.584 193 1HB PRO 24 2HB PRO 24 0.243 -2.856 -14.188 194 2HB PRO 24 1HB PRO 24 1.904 -3.465 -14.234 195 1HG PRO 24 2HG PRO 24 -0.449 -4.517 -12.703 196 2HG PRO 24 1HG PRO 24 0.679 -5.415 -13.741 197 1HD PRO 24 2HD PRO 24 1.055 -5.517 -11.177 198 2HD PRO 24 1HD PRO 24 2.463 -5.142 -12.183 199 H VAL 25 H VAL 25 -0.915 -2.604 -11.007 200 HA VAL 25 HA VAL 25 -1.890 -0.133 -12.155 201 HB VAL 25 HB VAL 25 -3.112 -1.822 -9.987 202 1HG1 VAL 25 1HG1 VAL 25 -4.252 0.140 -9.736 203 2HG1 VAL 25 2HG1 VAL 25 -5.211 -0.601 -11.017 204 3HG1 VAL 25 3HG1 VAL 25 -4.002 0.620 -11.415 205 1HG2 VAL 25 1HG2 VAL 25 -2.770 -2.452 -12.668 206 2HG2 VAL 25 2HG2 VAL 25 -4.440 -1.899 -12.545 207 3HG2 VAL 25 3HG2 VAL 25 -3.874 -3.226 -11.532 208 H CYS 26 H CYS 26 0.431 -0.537 -10.083 209 HA CYS 26 HA CYS 26 -0.024 2.003 -8.769 210 1HB CYS 26 2HB CYS 26 -0.964 0.574 -7.088 211 2HB CYS 26 1HB CYS 26 0.388 -0.547 -7.202 212 HG CYS 26 HG CYS 26 0.630 2.278 -5.918 Start of MODEL 6 1 1H GLY 1 1HT GLY 1 -3.929 12.017 15.022 2 2H GLY 1 2HT GLY 1 -2.336 12.379 15.459 3 3H GLY 1 3HT GLY 1 -2.678 10.951 14.622 4 1HA GLY 1 1HA GLY 1 -3.606 12.488 12.809 5 2HA GLY 1 2HA GLY 1 -2.671 13.727 13.626 6 H ASN 2 H ASN 2 -1.899 10.303 13.076 7 HA ASN 2 HA ASN 2 0.027 10.895 11.043 8 1HB ASN 2 2HB ASN 2 1.024 11.409 13.440 9 2HB ASN 2 1HB ASN 2 1.257 9.665 13.457 10 1HD2 ASN 2 1HD2 ASN 2 2.061 8.967 11.071 11 2HD2 ASN 2 2HD2 ASN 2 3.489 9.807 10.586 12 H ASP 3 H ASP 3 -1.194 8.613 13.421 13 HA ASP 3 HA ASP 3 -0.243 6.221 12.386 14 1HB ASP 3 2HB ASP 3 -1.999 7.040 14.411 15 2HB ASP 3 1HB ASP 3 -2.898 5.885 13.432 16 H TYR 4 H TYR 4 -2.347 8.298 10.872 17 HA TYR 4 HA TYR 4 -3.843 6.300 9.387 18 1HB TYR 4 2HB TYR 4 -4.924 8.263 8.278 19 2HB TYR 4 1HB TYR 4 -5.153 8.230 10.018 20 HD1 TYR 4 1HD TYR 4 -5.065 10.275 11.048 21 HD2 TYR 4 2HD TYR 4 -2.643 9.652 7.610 22 HE1 TYR 4 1HE TYR 4 -4.246 12.587 11.203 23 HE2 TYR 4 2HE TYR 4 -1.800 11.948 7.778 24 HH TYR 4 HH TYR 4 -3.133 14.237 10.075 25 H GLU 5 H GLU 5 -1.279 8.553 9.153 26 HA GLU 5 HA GLU 5 -0.786 8.221 6.388 27 1HB GLU 5 2HB GLU 5 -0.208 10.262 8.039 28 2HB GLU 5 1HB GLU 5 1.285 9.348 8.205 29 1HG GLU 5 2HG GLU 5 1.777 9.550 5.903 30 2HG GLU 5 1HG GLU 5 0.156 10.139 5.536 31 H ASP 6 H ASP 6 0.243 7.358 9.491 32 HA ASP 6 HA ASP 6 2.411 5.714 8.982 33 1HB ASP 6 2HB ASP 6 0.941 6.643 11.156 34 2HB ASP 6 1HB ASP 6 0.693 4.903 11.189 35 H ARG 7 H ARG 7 -0.984 5.010 9.644 36 HA ARG 7 HA ARG 7 -0.789 2.287 8.770 37 1HB ARG 7 2HB ARG 7 -3.100 4.051 9.549 38 2HB ARG 7 1HB ARG 7 -3.380 2.491 8.797 39 1HG ARG 7 2HG ARG 7 -1.559 2.558 11.131 40 2HG ARG 7 1HG ARG 7 -3.282 2.800 11.427 41 1HD ARG 7 2HD ARG 7 -3.831 0.706 10.458 42 2HD ARG 7 1HD ARG 7 -2.207 0.506 9.805 43 HE ARG 7 HE ARG 7 -3.091 -0.206 12.407 44 1HH1 ARG 7 1HH1 ARG 7 -0.331 1.029 10.666 45 2HH1 ARG 7 2HH1 ARG 7 0.821 0.410 11.800 46 1HH2 ARG 7 1HH2 ARG 7 -1.578 -1.021 13.904 47 2HH2 ARG 7 2HH2 ARG 7 0.113 -0.755 13.639 48 H TYR 8 H TYR 8 -1.302 5.346 7.292 49 HA TYR 8 HA TYR 8 -2.718 4.691 4.960 50 1HB TYR 8 2HB TYR 8 -2.102 6.933 4.825 51 2HB TYR 8 1HB TYR 8 -0.638 6.670 5.712 52 HD1 TYR 8 1HD TYR 8 -1.947 5.526 2.433 53 HD2 TYR 8 2HD TYR 8 1.406 7.062 4.499 54 HE1 TYR 8 1HE TYR 8 -0.699 5.589 0.332 55 HE2 TYR 8 2HE TYR 8 2.664 7.141 2.422 56 HH TYR 8 HH TYR 8 1.393 5.794 -0.556 57 H TYR 9 H TYR 9 0.558 4.890 5.874 58 HA TYR 9 HA TYR 9 1.367 3.745 3.534 59 1HB TYR 9 2HB TYR 9 2.828 5.354 4.570 60 2HB TYR 9 1HB TYR 9 2.958 4.330 6.020 61 HD1 TYR 9 1HD TYR 9 3.441 4.458 2.467 62 HD2 TYR 9 2HD TYR 9 4.455 2.491 6.101 63 HE1 TYR 9 1HE TYR 9 5.087 3.056 1.226 64 HE2 TYR 9 2HE TYR 9 6.176 1.149 4.906 65 HH TYR 9 HH TYR 9 7.556 1.624 2.471 66 H ARG 10 H ARG 10 1.001 2.578 6.819 67 HA ARG 10 HA ARG 10 2.500 0.233 6.390 68 1HB ARG 10 2HB ARG 10 1.994 0.803 8.577 69 2HB ARG 10 1HB ARG 10 0.251 0.855 8.279 70 1HG ARG 10 2HG ARG 10 0.980 -1.142 9.567 71 2HG ARG 10 1HG ARG 10 0.143 -1.534 8.066 72 1HD ARG 10 2HD ARG 10 1.880 -2.938 7.774 73 2HD ARG 10 1HD ARG 10 2.692 -1.489 7.194 74 HE ARG 10 HE ARG 10 2.917 -2.399 9.986 75 1HH1 ARG 10 1HH1 ARG 10 4.390 -1.297 7.011 76 2HH1 ARG 10 2HH1 ARG 10 5.981 -1.232 7.685 77 1HH2 ARG 10 1HH2 ARG 10 5.013 -2.310 10.861 78 2HH2 ARG 10 2HH2 ARG 10 6.336 -1.805 9.864 79 H GLU 11 H GLU 11 -0.472 1.388 5.319 80 HA GLU 11 HA GLU 11 -1.677 -1.011 4.360 81 1HB GLU 11 2HB GLU 11 -2.716 1.325 4.642 82 2HB GLU 11 1HB GLU 11 -1.922 1.704 3.118 83 1HG GLU 11 2HG GLU 11 -3.179 0.151 1.924 84 2HG GLU 11 1HG GLU 11 -3.713 -0.672 3.386 85 H ASN 12 H ASN 12 1.267 0.176 3.647 86 HA ASN 12 HA ASN 12 1.380 0.186 0.848 87 1HB ASN 12 2HB ASN 12 3.771 0.067 1.103 88 2HB ASN 12 1HB ASN 12 3.119 1.230 2.247 89 1HD2 ASN 12 1HD2 ASN 12 5.480 -0.778 1.980 90 2HD2 ASN 12 2HD2 ASN 12 5.585 -1.437 3.579 91 H MET 13 H MET 13 0.583 -2.210 2.950 92 HA MET 13 HA MET 13 1.957 -4.233 1.580 93 1HB MET 13 2HB MET 13 0.300 -5.780 2.798 94 2HB MET 13 1HB MET 13 1.444 -4.893 3.791 95 1HG MET 13 2HG MET 13 -0.517 -4.613 4.944 96 2HG MET 13 1HG MET 13 -0.456 -3.142 3.980 97 1HE MET 13 1HE MET 13 -3.039 -2.971 4.729 98 2HE MET 13 2HE MET 13 -4.129 -3.263 3.373 99 3HE MET 13 3HE MET 13 -2.675 -2.290 3.145 100 H TYR 14 H TYR 14 -0.629 -2.277 1.093 101 HA TYR 14 HA TYR 14 -1.949 -4.069 -0.666 102 1HB TYR 14 2HB TYR 14 -3.697 -2.552 -0.739 103 2HB TYR 14 1HB TYR 14 -2.927 -1.941 0.723 104 HD1 TYR 14 1HD TYR 14 -4.487 -0.770 -2.012 105 HD2 TYR 14 2HD TYR 14 -0.681 -0.450 -0.141 106 HE1 TYR 14 1HE TYR 14 -4.124 1.391 -3.134 107 HE2 TYR 14 2HE TYR 14 -0.294 1.691 -1.274 108 HH TYR 14 HH TYR 14 -1.888 2.741 -3.842 109 H ARG 15 H ARG 15 0.534 -1.979 -0.480 110 HA ARG 15 HA ARG 15 0.856 -1.146 -3.186 111 1HB ARG 15 2HB ARG 15 1.769 -0.409 -0.694 112 2HB ARG 15 1HB ARG 15 3.178 -1.179 -1.390 113 1HG ARG 15 2HG ARG 15 2.484 0.410 -3.408 114 2HG ARG 15 1HG ARG 15 1.848 1.347 -2.049 115 1HD ARG 15 2HD ARG 15 3.902 2.019 -1.508 116 2HD ARG 15 1HD ARG 15 4.428 0.345 -1.348 117 HE ARG 15 HE ARG 15 5.076 2.116 -3.455 118 1HH1 ARG 15 1HH1 ARG 15 4.272 -1.225 -2.834 119 2HH1 ARG 15 2HH1 ARG 15 5.145 -1.823 -4.200 120 1HH2 ARG 15 1HH2 ARG 15 6.232 1.334 -5.254 121 2HH2 ARG 15 2HH2 ARG 15 6.266 -0.367 -5.576 122 H TYR 16 H TYR 16 1.594 -3.858 -1.164 123 HA TYR 16 HA TYR 16 3.812 -4.904 -2.609 124 1HB TYR 16 2HB TYR 16 1.839 -6.002 -0.621 125 2HB TYR 16 1HB TYR 16 3.253 -6.882 -1.170 126 HD1 TYR 16 1HD TYR 16 2.731 -3.338 -0.062 127 HD2 TYR 16 2HD TYR 16 4.802 -7.029 0.417 128 HE1 TYR 16 1HE TYR 16 4.215 -2.296 1.577 129 HE2 TYR 16 2HE TYR 16 6.255 -5.987 2.110 130 HH TYR 16 HH TYR 16 7.052 -3.476 2.560 131 HA PRO 17 HA PRO 17 1.534 -7.710 -5.307 132 1HB PRO 17 2HB PRO 17 -0.007 -9.524 -3.834 133 2HB PRO 17 1HB PRO 17 1.419 -9.896 -4.805 134 1HG PRO 17 2HG PRO 17 1.245 -9.988 -1.996 135 2HG PRO 17 1HG PRO 17 2.725 -10.056 -2.960 136 1HD PRO 17 2HD PRO 17 1.707 -7.891 -1.318 137 2HD PRO 17 1HD PRO 17 3.291 -8.065 -2.076 138 H ASN 18 H ASN 18 0.325 -5.703 -5.072 139 HA ASN 18 HA ASN 18 -2.188 -5.564 -3.934 140 1HB ASN 18 2HB ASN 18 -2.037 -4.038 -6.396 141 2HB ASN 18 1HB ASN 18 -2.310 -3.488 -4.762 142 1HD2 ASN 18 1HD2 ASN 18 0.394 -4.754 -6.725 143 2HD2 ASN 18 2HD2 ASN 18 1.557 -3.626 -6.109 144 H GLN 19 H GLN 19 -3.747 -6.683 -4.286 145 HA GLN 19 HA GLN 19 -4.419 -8.757 -5.561 146 1HB GLN 19 2HB GLN 19 -6.734 -8.118 -5.435 147 2HB GLN 19 1HB GLN 19 -5.856 -7.358 -4.104 148 1HG GLN 19 2HG GLN 19 -6.317 -5.950 -6.729 149 2HG GLN 19 1HG GLN 19 -7.476 -5.874 -5.408 150 1HE2 GLN 19 1HE2 GLN 19 -4.350 -4.732 -6.602 151 2HE2 GLN 19 2HE2 GLN 19 -4.093 -3.621 -5.300 152 H VAL 20 H VAL 20 -3.382 -6.549 -7.651 153 HA VAL 20 HA VAL 20 -4.305 -7.825 -9.938 154 HB VAL 20 HB VAL 20 -6.472 -6.958 -9.608 155 1HG1 VAL 20 1HG1 VAL 20 -5.145 -4.897 -8.236 156 2HG1 VAL 20 2HG1 VAL 20 -6.887 -5.103 -8.406 157 3HG1 VAL 20 3HG1 VAL 20 -5.997 -4.119 -9.567 158 1HG2 VAL 20 1HG2 VAL 20 -6.788 -5.430 -11.468 159 2HG2 VAL 20 2HG2 VAL 20 -5.653 -6.717 -11.880 160 3HG2 VAL 20 3HG2 VAL 20 -5.055 -5.105 -11.489 161 H TYR 21 H TYR 21 -3.219 -5.033 -8.320 162 HA TYR 21 HA TYR 21 -2.249 -3.518 -10.469 163 1HB TYR 21 2HB TYR 21 -1.123 -4.089 -7.718 164 2HB TYR 21 1HB TYR 21 -0.503 -2.853 -8.740 165 HD1 TYR 21 1HD TYR 21 -0.845 -1.595 -6.639 166 HD2 TYR 21 2HD TYR 21 -3.999 -3.105 -9.057 167 HE1 TYR 21 1HE TYR 21 -2.442 -0.025 -5.532 168 HE2 TYR 21 2HE TYR 21 -5.607 -1.563 -7.981 169 HH TYR 21 HH TYR 21 -4.675 1.059 -6.128 170 H TYR 22 H TYR 22 -1.393 -6.660 -9.438 171 HA TYR 22 HA TYR 22 0.477 -7.907 -9.815 172 1HB TYR 22 2HB TYR 22 1.132 -6.856 -12.423 173 2HB TYR 22 1HB TYR 22 0.270 -8.340 -12.048 174 HD1 TYR 22 1HD TYR 22 -1.958 -8.565 -12.888 175 HD2 TYR 22 2HD TYR 22 -0.418 -4.639 -12.274 176 HE1 TYR 22 1HE TYR 22 -3.959 -7.603 -13.923 177 HE2 TYR 22 2HE TYR 22 -2.407 -3.680 -13.231 178 HH TYR 22 HH TYR 22 -5.070 -5.727 -14.429 179 H ARG 23 H ARG 23 0.503 -5.037 -8.878 180 HA ARG 23 HA ARG 23 2.048 -3.807 -7.758 181 1HB ARG 23 2HB ARG 23 3.792 -5.674 -8.834 182 2HB ARG 23 1HB ARG 23 4.379 -4.143 -9.473 183 1HG ARG 23 2HG ARG 23 4.762 -3.268 -7.346 184 2HG ARG 23 1HG ARG 23 3.748 -4.483 -6.566 185 1HD ARG 23 2HD ARG 23 6.034 -5.539 -8.095 186 2HD ARG 23 1HD ARG 23 6.456 -4.595 -6.667 187 HE ARG 23 HE ARG 23 4.434 -6.566 -6.166 188 1HH1 ARG 23 1HH1 ARG 23 7.876 -6.020 -6.393 189 2HH1 ARG 23 2HH1 ARG 23 8.279 -7.353 -5.365 190 1HH2 ARG 23 1HH2 ARG 23 4.967 -8.318 -4.815 191 2HH2 ARG 23 2HH2 ARG 23 6.630 -8.656 -4.468 192 HA PRO 24 HA PRO 24 3.024 -0.973 -11.638 193 1HB PRO 24 2HB PRO 24 1.522 -1.511 -13.832 194 2HB PRO 24 1HB PRO 24 3.146 -2.186 -13.598 195 1HG PRO 24 2HG PRO 24 0.492 -3.400 -12.849 196 2HG PRO 24 1HG PRO 24 1.750 -4.102 -13.891 197 1HD PRO 24 2HD PRO 24 1.706 -4.826 -11.408 198 2HD PRO 24 1HD PRO 24 3.267 -4.308 -12.063 199 H VAL 25 H VAL 25 -0.199 -2.397 -11.014 200 HA VAL 25 HA VAL 25 -2.204 -1.462 -10.663 201 HB VAL 25 HB VAL 25 -0.923 -0.129 -8.948 202 1HG1 VAL 25 1HG1 VAL 25 -0.979 2.427 -9.676 203 2HG1 VAL 25 2HG1 VAL 25 -0.644 1.714 -11.252 204 3HG1 VAL 25 3HG1 VAL 25 0.445 1.411 -9.897 205 1HG2 VAL 25 1HG2 VAL 25 -3.442 0.801 -10.238 206 2HG2 VAL 25 2HG2 VAL 25 -2.754 1.722 -8.901 207 3HG2 VAL 25 3HG2 VAL 25 -3.186 0.032 -8.677 208 H CYS 26 H CYS 26 -0.830 -1.353 -13.283 209 HA CYS 26 HA CYS 26 -2.849 0.175 -14.651 210 1HB CYS 26 2HB CYS 26 -1.166 1.477 -16.000 211 2HB CYS 26 1HB CYS 26 -1.332 1.989 -14.324 212 HG CYS 26 HG CYS 26 1.039 0.133 -15.041 Start of MODEL 7 1 1H GLY 1 1HT GLY 1 3.040 12.462 9.698 2 2H GLY 1 2HT GLY 1 4.708 12.664 9.871 3 3H GLY 1 3HT GLY 1 3.664 13.187 11.094 4 1HA GLY 1 1HA GLY 1 4.154 10.375 10.279 5 2HA GLY 1 2HA GLY 1 4.720 11.138 11.756 6 H ASN 2 H ASN 2 1.546 11.308 10.167 7 HA ASN 2 HA ASN 2 0.235 10.783 12.680 8 1HB ASN 2 2HB ASN 2 -0.993 11.114 9.939 9 2HB ASN 2 1HB ASN 2 -1.818 11.246 11.490 10 1HD2 ASN 2 1HD2 ASN 2 -2.338 13.280 11.835 11 2HD2 ASN 2 2HD2 ASN 2 -1.327 14.653 11.553 12 H ASP 3 H ASP 3 -0.963 9.009 13.199 13 HA ASP 3 HA ASP 3 -0.158 6.494 12.336 14 1HB ASP 3 2HB ASP 3 -1.803 7.533 14.326 15 2HB ASP 3 1HB ASP 3 -2.841 6.446 13.409 16 H TYR 4 H TYR 4 -2.165 8.577 10.685 17 HA TYR 4 HA TYR 4 -3.774 6.556 9.356 18 1HB TYR 4 2HB TYR 4 -5.099 8.275 8.506 19 2HB TYR 4 1HB TYR 4 -4.630 8.913 10.075 20 HD1 TYR 4 1HD TYR 4 -3.320 10.896 10.251 21 HD2 TYR 4 2HD TYR 4 -4.037 9.154 6.438 22 HE1 TYR 4 1HE TYR 4 -2.458 12.928 9.169 23 HE2 TYR 4 2HE TYR 4 -3.175 11.181 5.344 24 HH TYR 4 HH TYR 4 -1.404 13.144 6.237 25 H GLU 5 H GLU 5 -1.125 8.700 8.894 26 HA GLU 5 HA GLU 5 -0.733 8.095 6.162 27 1HB GLU 5 2HB GLU 5 0.688 9.798 8.170 28 2HB GLU 5 1HB GLU 5 1.576 9.259 6.751 29 1HG GLU 5 2HG GLU 5 -0.927 10.290 5.897 30 2HG GLU 5 1HG GLU 5 -0.194 11.449 7.004 31 H ASP 6 H ASP 6 0.340 7.466 9.304 32 HA ASP 6 HA ASP 6 2.435 5.706 8.885 33 1HB ASP 6 2HB ASP 6 1.069 6.854 11.014 34 2HB ASP 6 1HB ASP 6 0.741 5.137 11.181 35 H ARG 7 H ARG 7 -0.965 5.164 9.682 36 HA ARG 7 HA ARG 7 -0.869 2.378 9.012 37 1HB ARG 7 2HB ARG 7 -3.046 4.259 9.823 38 2HB ARG 7 1HB ARG 7 -3.493 2.781 8.993 39 1HG ARG 7 2HG ARG 7 -1.605 2.442 11.217 40 2HG ARG 7 1HG ARG 7 -3.224 2.986 11.663 41 1HD ARG 7 2HD ARG 7 -4.194 1.100 10.451 42 2HD ARG 7 1HD ARG 7 -2.583 0.565 9.980 43 HE ARG 7 HE ARG 7 -3.867 0.175 12.519 44 1HH1 ARG 7 1HH1 ARG 7 -0.795 0.391 10.874 45 2HH1 ARG 7 2HH1 ARG 7 0.048 -0.539 12.066 46 1HH2 ARG 7 1HH2 ARG 7 -2.756 -1.050 14.086 47 2HH2 ARG 7 2HH2 ARG 7 -1.064 -1.358 13.886 48 H TYR 8 H TYR 8 -1.321 5.333 7.312 49 HA TYR 8 HA TYR 8 -2.795 4.535 5.061 50 1HB TYR 8 2HB TYR 8 -2.121 6.744 4.740 51 2HB TYR 8 1HB TYR 8 -0.652 6.508 5.624 52 HD1 TYR 8 1HD TYR 8 -2.027 5.112 2.468 53 HD2 TYR 8 2HD TYR 8 1.370 6.787 4.351 54 HE1 TYR 8 1HE TYR 8 -0.804 4.974 0.355 55 HE2 TYR 8 2HE TYR 8 2.602 6.666 2.260 56 HH TYR 8 HH TYR 8 1.326 5.016 -0.536 57 H TYR 9 H TYR 9 0.497 4.708 5.916 58 HA TYR 9 HA TYR 9 1.265 3.373 3.669 59 1HB TYR 9 2HB TYR 9 2.766 5.002 4.613 60 2HB TYR 9 1HB TYR 9 2.861 4.064 6.120 61 HD1 TYR 9 1HD TYR 9 3.367 3.973 2.572 62 HD2 TYR 9 2HD TYR 9 4.306 2.199 6.323 63 HE1 TYR 9 1HE TYR 9 5.002 2.474 1.431 64 HE2 TYR 9 2HE TYR 9 6.011 0.756 5.226 65 HH TYR 9 HH TYR 9 7.425 1.079 2.767 66 H ARG 10 H ARG 10 0.866 2.433 7.019 67 HA ARG 10 HA ARG 10 2.261 -0.002 6.743 68 1HB ARG 10 2HB ARG 10 1.723 0.811 8.880 69 2HB ARG 10 1HB ARG 10 -0.018 0.757 8.560 70 1HG ARG 10 2HG ARG 10 0.813 -1.097 10.010 71 2HG ARG 10 1HG ARG 10 -0.015 -1.638 8.550 72 1HD ARG 10 2HD ARG 10 2.231 -1.887 7.473 73 2HD ARG 10 1HD ARG 10 2.957 -1.553 9.044 74 HE ARG 10 HE ARG 10 1.343 -3.589 9.642 75 1HH1 ARG 10 1HH1 ARG 10 3.582 -3.175 6.993 76 2HH1 ARG 10 2HH1 ARG 10 3.915 -4.867 6.848 77 1HH2 ARG 10 1HH2 ARG 10 1.787 -5.816 9.449 78 2HH2 ARG 10 2HH2 ARG 10 2.896 -6.365 8.238 79 H GLU 11 H GLU 11 -0.684 1.220 5.640 80 HA GLU 11 HA GLU 11 -1.955 -1.182 4.759 81 1HB GLU 11 2HB GLU 11 -2.824 1.304 4.980 82 2HB GLU 11 1HB GLU 11 -2.222 1.415 3.330 83 1HG GLU 11 2HG GLU 11 -3.725 -0.146 2.526 84 2HG GLU 11 1HG GLU 11 -4.036 -0.817 4.126 85 H ASN 12 H ASN 12 1.013 -0.202 4.033 86 HA ASN 12 HA ASN 12 1.101 -0.136 1.243 87 1HB ASN 12 2HB ASN 12 3.500 -0.510 1.498 88 2HB ASN 12 1HB ASN 12 2.927 0.785 2.535 89 1HD2 ASN 12 1HD2 ASN 12 5.220 -1.175 2.557 90 2HD2 ASN 12 2HD2 ASN 12 5.211 -1.812 4.168 91 H MET 13 H MET 13 0.087 -2.546 3.216 92 HA MET 13 HA MET 13 1.414 -4.614 1.873 93 1HB MET 13 2HB MET 13 -1.172 -4.847 3.411 94 2HB MET 13 1HB MET 13 -0.071 -6.159 3.014 95 1HG MET 13 2HG MET 13 1.548 -5.388 4.557 96 2HG MET 13 1HG MET 13 0.699 -3.859 4.785 97 1HE MET 13 1HE MET 13 -0.921 -3.340 6.254 98 2HE MET 13 2HE MET 13 0.090 -3.913 7.580 99 3HE MET 13 3HE MET 13 -1.620 -4.343 7.526 100 H TYR 14 H TYR 14 -1.016 -2.491 1.278 101 HA TYR 14 HA TYR 14 -2.253 -4.112 -0.687 102 1HB TYR 14 2HB TYR 14 -3.938 -2.522 -0.796 103 2HB TYR 14 1HB TYR 14 -3.281 -2.067 0.773 104 HD1 TYR 14 1HD TYR 14 -4.551 -0.610 -1.967 105 HD2 TYR 14 2HD TYR 14 -0.912 -0.605 0.237 106 HE1 TYR 14 1HE TYR 14 -4.016 1.615 -2.871 107 HE2 TYR 14 2HE TYR 14 -0.352 1.601 -0.685 108 HH TYR 14 HH TYR 14 -2.275 3.115 -3.181 109 H ARG 15 H ARG 15 0.271 -2.138 -0.159 110 HA ARG 15 HA ARG 15 0.837 -1.127 -2.761 111 1HB ARG 15 2HB ARG 15 1.537 -0.579 -0.176 112 2HB ARG 15 1HB ARG 15 2.976 -1.381 -0.760 113 1HG ARG 15 2HG ARG 15 2.587 0.359 -2.732 114 2HG ARG 15 1HG ARG 15 1.846 1.243 -1.392 115 1HD ARG 15 2HD ARG 15 3.841 1.720 -0.517 116 2HD ARG 15 1HD ARG 15 4.304 0.020 -0.536 117 HE ARG 15 HE ARG 15 5.240 2.011 -2.289 118 1HH1 ARG 15 1HH1 ARG 15 4.136 -1.304 -2.305 119 2HH1 ARG 15 2HH1 ARG 15 5.083 -1.747 -3.683 120 1HH2 ARG 15 1HH2 ARG 15 6.500 1.428 -4.098 121 2HH2 ARG 15 2HH2 ARG 15 6.434 -0.195 -4.699 122 H TYR 16 H TYR 16 1.336 -4.001 -0.896 123 HA TYR 16 HA TYR 16 3.668 -4.988 -2.180 124 1HB TYR 16 2HB TYR 16 1.445 -6.190 -0.553 125 2HB TYR 16 1HB TYR 16 2.871 -7.087 -1.038 126 HD1 TYR 16 1HD TYR 16 2.375 -3.653 0.358 127 HD2 TYR 16 2HD TYR 16 4.267 -7.453 0.686 128 HE1 TYR 16 1HE TYR 16 3.712 -2.826 2.231 129 HE2 TYR 16 2HE TYR 16 5.565 -6.633 2.606 130 HH TYR 16 HH TYR 16 5.070 -4.533 4.430 131 HA PRO 17 HA PRO 17 1.733 -7.371 -5.426 132 1HB PRO 17 2HB PRO 17 0.305 -9.533 -4.392 133 2HB PRO 17 1HB PRO 17 1.842 -9.602 -5.264 134 1HG PRO 17 2HG PRO 17 1.465 -10.180 -2.542 135 2HG PRO 17 1HG PRO 17 3.016 -9.899 -3.344 136 1HD PRO 17 2HD PRO 17 1.515 -8.156 -1.540 137 2HD PRO 17 1HD PRO 17 3.210 -8.063 -2.040 138 H ASN 18 H ASN 18 0.294 -5.583 -5.108 139 HA ASN 18 HA ASN 18 -2.263 -5.780 -4.103 140 1HB ASN 18 2HB ASN 18 -2.106 -4.152 -6.526 141 2HB ASN 18 1HB ASN 18 -2.662 -3.715 -4.931 142 1HD2 ASN 18 1HD2 ASN 18 0.453 -4.556 -6.469 143 2HD2 ASN 18 2HD2 ASN 18 1.339 -3.279 -5.702 144 H GLN 19 H GLN 19 -3.713 -7.017 -4.610 145 HA GLN 19 HA GLN 19 -4.048 -9.107 -5.973 146 1HB GLN 19 2HB GLN 19 -6.427 -8.734 -6.042 147 2HB GLN 19 1HB GLN 19 -5.757 -7.915 -4.629 148 1HG GLN 19 2HG GLN 19 -6.146 -6.498 -7.261 149 2HG GLN 19 1HG GLN 19 -7.421 -6.595 -6.054 150 1HE2 GLN 19 1HE2 GLN 19 -4.362 -5.076 -6.929 151 2HE2 GLN 19 2HE2 GLN 19 -4.349 -3.974 -5.598 152 H VAL 20 H VAL 20 -3.203 -6.621 -7.883 153 HA VAL 20 HA VAL 20 -3.670 -7.970 -10.281 154 HB VAL 20 HB VAL 20 -5.952 -7.404 -10.169 155 1HG1 VAL 20 1HG1 VAL 20 -6.730 -5.666 -8.978 156 2HG1 VAL 20 2HG1 VAL 20 -5.885 -4.538 -10.038 157 3HG1 VAL 20 3HG1 VAL 20 -5.060 -5.217 -8.639 158 1HG2 VAL 20 1HG2 VAL 20 -4.493 -6.716 -12.240 159 2HG2 VAL 20 2HG2 VAL 20 -5.072 -5.110 -11.797 160 3HG2 VAL 20 3HG2 VAL 20 -6.226 -6.390 -12.179 161 H TYR 21 H TYR 21 -3.106 -5.117 -8.515 162 HA TYR 21 HA TYR 21 -2.134 -3.433 -10.550 163 1HB TYR 21 2HB TYR 21 -1.180 -3.926 -7.722 164 2HB TYR 21 1HB TYR 21 -0.688 -2.575 -8.660 165 HD1 TYR 21 1HD TYR 21 -1.398 -1.562 -6.475 166 HD2 TYR 21 2HD TYR 21 -4.052 -3.258 -9.335 167 HE1 TYR 21 1HE TYR 21 -3.295 -0.296 -5.466 168 HE2 TYR 21 2HE TYR 21 -5.949 -2.008 -8.361 169 HH TYR 21 HH TYR 21 -5.491 0.480 -5.998 170 H TYR 22 H TYR 22 -0.993 -6.456 -9.430 171 HA TYR 22 HA TYR 22 1.042 -7.450 -9.619 172 1HB TYR 22 2HB TYR 22 1.830 -6.272 -12.139 173 2HB TYR 22 1HB TYR 22 1.148 -7.871 -11.862 174 HD1 TYR 22 1HD TYR 22 -0.942 -8.388 -12.906 175 HD2 TYR 22 2HD TYR 22 -0.004 -4.292 -12.178 176 HE1 TYR 22 1HE TYR 22 -2.943 -7.695 -14.139 177 HE2 TYR 22 2HE TYR 22 -2.005 -3.605 -13.339 178 HH TYR 22 HH TYR 22 -3.708 -5.585 -15.399 179 H ARG 23 H ARG 23 0.600 -4.632 -8.659 180 HA ARG 23 HA ARG 23 1.871 -3.254 -7.362 181 1HB ARG 23 2HB ARG 23 3.897 -4.821 -8.019 182 2HB ARG 23 1HB ARG 23 4.305 -3.467 -9.071 183 1HG ARG 23 2HG ARG 23 3.929 -2.052 -6.912 184 2HG ARG 23 1HG ARG 23 4.207 -3.592 -6.097 185 1HD ARG 23 2HD ARG 23 6.074 -2.326 -8.104 186 2HD ARG 23 1HD ARG 23 6.273 -2.255 -6.353 187 HE ARG 23 HE ARG 23 6.970 -4.418 -8.064 188 1HH1 ARG 23 1HH1 ARG 23 5.783 -3.679 -4.867 189 2HH1 ARG 23 2HH1 ARG 23 6.405 -5.134 -4.164 190 1HH2 ARG 23 1HH2 ARG 23 7.792 -6.330 -7.141 191 2HH2 ARG 23 2HH2 ARG 23 7.544 -6.639 -5.454 192 HA PRO 24 HA PRO 24 2.804 -0.157 -11.051 193 1HB PRO 24 2HB PRO 24 1.529 -0.813 -13.371 194 2HB PRO 24 1HB PRO 24 3.226 -1.207 -13.050 195 1HG PRO 24 2HG PRO 24 0.785 -2.906 -12.586 196 2HG PRO 24 1HG PRO 24 2.251 -3.324 -13.500 197 1HD PRO 24 2HD PRO 24 2.069 -4.157 -11.050 198 2HD PRO 24 1HD PRO 24 3.579 -3.367 -11.523 199 H VAL 25 H VAL 25 -0.249 -2.010 -10.796 200 HA VAL 25 HA VAL 25 -2.395 -1.366 -10.668 201 HB VAL 25 HB VAL 25 -1.639 -0.183 -8.638 202 1HG1 VAL 25 1HG1 VAL 25 -1.121 2.041 -10.568 203 2HG1 VAL 25 2HG1 VAL 25 -0.091 1.420 -9.274 204 3HG1 VAL 25 3HG1 VAL 25 -1.518 2.380 -8.884 205 1HG2 VAL 25 1HG2 VAL 25 -4.004 0.161 -10.046 206 2HG2 VAL 25 2HG2 VAL 25 -3.560 1.786 -9.526 207 3HG2 VAL 25 3HG2 VAL 25 -3.735 0.497 -8.338 208 H CYS 26 H CYS 26 -0.790 -0.825 -13.038 209 HA CYS 26 HA CYS 26 -2.759 0.724 -14.469 210 1HB CYS 26 2HB CYS 26 -0.935 2.327 -13.525 211 2HB CYS 26 1HB CYS 26 0.079 1.643 -14.791 212 HG CYS 26 HG CYS 26 -1.300 3.886 -15.479 Start of MODEL 8 1 1H GLY 1 1HT GLY 1 4.726 8.758 14.068 2 2H GLY 1 2HT GLY 1 4.535 9.003 12.405 3 3H GLY 1 3HT GLY 1 3.460 7.999 13.239 4 1HA GLY 1 1HA GLY 1 3.508 10.549 14.458 5 2HA GLY 1 2HA GLY 1 3.197 10.715 12.736 6 H ASN 2 H ASN 2 1.131 10.667 12.185 7 HA ASN 2 HA ASN 2 -0.863 9.762 14.064 8 1HB ASN 2 2HB ASN 2 -1.244 10.801 11.250 9 2HB ASN 2 1HB ASN 2 -2.476 10.667 12.501 10 1HD2 ASN 2 1HD2 ASN 2 0.305 12.425 11.390 11 2HD2 ASN 2 2HD2 ASN 2 0.108 13.793 12.428 12 H ASP 3 H ASP 3 -2.035 7.946 13.963 13 HA ASP 3 HA ASP 3 -1.133 5.677 12.638 14 1HB ASP 3 2HB ASP 3 -3.129 6.330 14.511 15 2HB ASP 3 1HB ASP 3 -3.914 5.405 13.236 16 H TYR 4 H TYR 4 -2.790 8.172 11.231 17 HA TYR 4 HA TYR 4 -4.296 6.625 9.304 18 1HB TYR 4 2HB TYR 4 -5.290 8.639 8.625 19 2HB TYR 4 1HB TYR 4 -5.079 8.853 10.357 20 HD1 TYR 4 1HD TYR 4 -3.880 10.689 11.192 21 HD2 TYR 4 2HD TYR 4 -3.574 9.703 7.068 22 HE1 TYR 4 1HE TYR 4 -2.665 12.789 10.787 23 HE2 TYR 4 2HE TYR 4 -2.358 11.797 6.650 24 HH TYR 4 HH TYR 4 -0.869 13.526 8.819 25 H GLU 5 H GLU 5 -1.492 8.606 9.618 26 HA GLU 5 HA GLU 5 -0.724 8.427 6.905 27 1HB GLU 5 2HB GLU 5 0.143 9.956 9.233 28 2HB GLU 5 1HB GLU 5 1.500 9.300 8.325 29 1HG GLU 5 2HG GLU 5 -0.291 10.402 6.448 30 2HG GLU 5 1HG GLU 5 -0.123 11.574 7.754 31 H ASP 6 H ASP 6 -0.123 7.262 10.017 32 HA ASP 6 HA ASP 6 2.006 5.545 9.617 33 1HB ASP 6 2HB ASP 6 0.324 6.339 11.681 34 2HB ASP 6 1HB ASP 6 -0.009 4.626 11.500 35 H ARG 7 H ARG 7 -1.474 4.944 9.795 36 HA ARG 7 HA ARG 7 -1.229 2.325 8.634 37 1HB ARG 7 2HB ARG 7 -3.533 3.994 9.539 38 2HB ARG 7 1HB ARG 7 -3.847 2.732 8.366 39 1HG ARG 7 2HG ARG 7 -2.282 2.039 10.795 40 2HG ARG 7 1HG ARG 7 -4.028 2.267 10.940 41 1HD ARG 7 2HD ARG 7 -4.506 0.492 9.529 42 2HD ARG 7 1HD ARG 7 -2.917 0.542 8.767 43 HE ARG 7 HE ARG 7 -2.934 -0.196 11.567 44 1HH1 ARG 7 1HH1 ARG 7 -2.989 -1.306 8.255 45 2HH1 ARG 7 2HH1 ARG 7 -2.396 -2.885 8.645 46 1HH2 ARG 7 1HH2 ARG 7 -2.160 -2.278 12.077 47 2HH2 ARG 7 2HH2 ARG 7 -1.930 -3.438 10.812 48 H TYR 8 H TYR 8 -1.476 5.543 7.469 49 HA TYR 8 HA TYR 8 -2.689 5.227 4.962 50 1HB TYR 8 2HB TYR 8 -1.908 7.426 5.127 51 2HB TYR 8 1HB TYR 8 -0.537 6.951 6.080 52 HD1 TYR 8 1HD TYR 8 -1.678 6.192 2.641 53 HD2 TYR 8 2HD TYR 8 1.612 7.331 5.039 54 HE1 TYR 8 1HE TYR 8 -0.288 6.335 0.637 55 HE2 TYR 8 2HE TYR 8 3.013 7.488 3.058 56 HH TYR 8 HH TYR 8 2.741 7.818 0.619 57 H TYR 9 H TYR 9 0.485 5.124 6.168 58 HA TYR 9 HA TYR 9 1.451 4.117 3.814 59 1HB TYR 9 2HB TYR 9 2.863 5.612 5.048 60 2HB TYR 9 1HB TYR 9 2.791 4.550 6.471 61 HD1 TYR 9 1HD TYR 9 3.707 4.757 3.014 62 HD2 TYR 9 2HD TYR 9 4.220 2.676 6.681 63 HE1 TYR 9 1HE TYR 9 5.475 3.356 1.946 64 HE2 TYR 9 2HE TYR 9 6.055 1.331 5.679 65 HH TYR 9 HH TYR 9 6.885 1.620 2.234 66 H ARG 10 H ARG 10 0.791 2.774 6.983 67 HA ARG 10 HA ARG 10 2.243 0.411 6.568 68 1HB ARG 10 2HB ARG 10 1.375 1.054 8.711 69 2HB ARG 10 1HB ARG 10 -0.288 0.777 8.161 70 1HG ARG 10 2HG ARG 10 0.310 -1.141 9.405 71 2HG ARG 10 1HG ARG 10 0.403 -1.618 7.709 72 1HD ARG 10 2HD ARG 10 2.937 -0.631 8.320 73 2HD ARG 10 1HD ARG 10 2.466 -1.574 9.731 74 HE ARG 10 HE ARG 10 2.243 -3.490 8.325 75 1HH1 ARG 10 1HH1 ARG 10 3.725 -0.736 6.739 76 2HH1 ARG 10 2HH1 ARG 10 4.428 -1.694 5.483 77 1HH2 ARG 10 1HH2 ARG 10 3.176 -4.728 6.672 78 2HH2 ARG 10 2HH2 ARG 10 4.123 -3.952 5.446 79 H GLU 11 H GLU 11 -0.561 1.718 5.251 80 HA GLU 11 HA GLU 11 -1.711 -0.588 4.052 81 1HB GLU 11 2HB GLU 11 -2.768 1.703 4.323 82 2HB GLU 11 1HB GLU 11 -1.747 2.214 2.983 83 1HG GLU 11 2HG GLU 11 -2.783 0.760 1.475 84 2HG GLU 11 1HG GLU 11 -3.567 -0.151 2.761 85 H ASN 12 H ASN 12 1.334 0.483 3.707 86 HA ASN 12 HA ASN 12 1.770 0.629 0.936 87 1HB ASN 12 2HB ASN 12 3.345 1.052 3.110 88 2HB ASN 12 1HB ASN 12 3.899 -0.536 2.606 89 1HD2 ASN 12 1HD2 ASN 12 5.591 -0.447 1.317 90 2HD2 ASN 12 2HD2 ASN 12 5.930 0.788 0.166 91 H MET 13 H MET 13 0.692 -1.824 2.937 92 HA MET 13 HA MET 13 1.953 -3.899 1.545 93 1HB MET 13 2HB MET 13 -0.453 -3.923 3.363 94 2HB MET 13 1HB MET 13 0.256 -5.376 2.675 95 1HG MET 13 2HG MET 13 2.272 -5.067 3.899 96 2HG MET 13 1HG MET 13 1.767 -3.463 4.431 97 1HE MET 13 1HE MET 13 -0.538 -3.162 5.316 98 2HE MET 13 2HE MET 13 -0.238 -3.465 7.028 99 3HE MET 13 3HE MET 13 -1.500 -4.361 6.182 100 H TYR 14 H TYR 14 -0.486 -1.749 1.012 101 HA TYR 14 HA TYR 14 -1.867 -3.396 -0.813 102 1HB TYR 14 2HB TYR 14 -3.480 -1.747 -0.911 103 2HB TYR 14 1HB TYR 14 -2.669 -1.156 0.537 104 HD1 TYR 14 1HD TYR 14 -4.089 0.033 -2.281 105 HD2 TYR 14 2HD TYR 14 -0.315 0.132 -0.324 106 HE1 TYR 14 1HE TYR 14 -3.537 2.119 -3.467 107 HE2 TYR 14 2HE TYR 14 0.260 2.197 -1.520 108 HH TYR 14 HH TYR 14 -0.858 4.063 -2.616 109 H ARG 15 H ARG 15 0.793 -1.521 -0.574 110 HA ARG 15 HA ARG 15 1.191 -0.810 -3.310 111 1HB ARG 15 2HB ARG 15 2.172 -0.068 -0.792 112 2HB ARG 15 1HB ARG 15 3.537 -0.819 -1.598 113 1HG ARG 15 2HG ARG 15 2.600 0.806 -3.539 114 2HG ARG 15 1HG ARG 15 2.199 1.725 -2.085 115 1HD ARG 15 2HD ARG 15 4.324 2.327 -1.831 116 2HD ARG 15 1HD ARG 15 4.826 0.637 -1.804 117 HE ARG 15 HE ARG 15 5.209 2.462 -3.921 118 1HH1 ARG 15 1HH1 ARG 15 4.331 -0.872 -3.342 119 2HH1 ARG 15 2HH1 ARG 15 4.969 -1.432 -4.849 120 1HH2 ARG 15 1HH2 ARG 15 6.046 1.728 -5.902 121 2HH2 ARG 15 2HH2 ARG 15 5.947 0.047 -6.304 122 H TYR 16 H TYR 16 1.679 -3.486 -1.194 123 HA TYR 16 HA TYR 16 3.858 -4.715 -2.575 124 1HB TYR 16 2HB TYR 16 1.883 -5.591 -0.491 125 2HB TYR 16 1HB TYR 16 3.271 -6.544 -0.990 126 HD1 TYR 16 1HD TYR 16 2.892 -2.897 -0.160 127 HD2 TYR 16 2HD TYR 16 4.778 -6.636 0.640 128 HE1 TYR 16 1HE TYR 16 4.440 -1.793 1.394 129 HE2 TYR 16 2HE TYR 16 6.279 -5.532 2.243 130 HH TYR 16 HH TYR 16 6.198 -3.358 3.681 131 HA PRO 17 HA PRO 17 1.384 -7.621 -4.979 132 1HB PRO 17 2HB PRO 17 -0.203 -9.344 -3.628 133 2HB PRO 17 1HB PRO 17 1.440 -9.719 -4.170 134 1HG PRO 17 2HG PRO 17 0.444 -9.206 -1.465 135 2HG PRO 17 1HG PRO 17 1.988 -9.909 -1.970 136 1HD PRO 17 2HD PRO 17 1.576 -7.333 -0.954 137 2HD PRO 17 1HD PRO 17 3.040 -7.924 -1.734 138 H ASN 18 H ASN 18 0.229 -5.564 -4.924 139 HA ASN 18 HA ASN 18 -2.312 -5.310 -3.838 140 1HB ASN 18 2HB ASN 18 -2.164 -3.984 -6.402 141 2HB ASN 18 1HB ASN 18 -2.383 -3.295 -4.812 142 1HD2 ASN 18 1HD2 ASN 18 0.269 -4.823 -6.653 143 2HD2 ASN 18 2HD2 ASN 18 1.452 -3.642 -6.204 144 H GLN 19 H GLN 19 -3.882 -6.453 -4.146 145 HA GLN 19 HA GLN 19 -4.495 -8.640 -5.254 146 1HB GLN 19 2HB GLN 19 -6.817 -8.019 -5.254 147 2HB GLN 19 1HB GLN 19 -5.990 -7.126 -3.975 148 1HG GLN 19 2HG GLN 19 -6.404 -5.993 -6.734 149 2HG GLN 19 1HG GLN 19 -7.577 -5.783 -5.443 150 1HE2 GLN 19 1HE2 GLN 19 -4.437 -4.776 -6.709 151 2HE2 GLN 19 2HE2 GLN 19 -4.194 -3.525 -5.542 152 H VAL 20 H VAL 20 -3.456 -6.545 -7.480 153 HA VAL 20 HA VAL 20 -4.260 -8.053 -9.687 154 HB VAL 20 HB VAL 20 -6.436 -7.175 -9.527 155 1HG1 VAL 20 1HG1 VAL 20 -6.795 -5.302 -8.332 156 2HG1 VAL 20 2HG1 VAL 20 -6.166 -4.375 -9.690 157 3HG1 VAL 20 3HG1 VAL 20 -5.082 -4.902 -8.409 158 1HG2 VAL 20 1HG2 VAL 20 -5.067 -6.884 -11.741 159 2HG2 VAL 20 2HG2 VAL 20 -5.356 -5.174 -11.412 160 3HG2 VAL 20 3HG2 VAL 20 -6.718 -6.279 -11.598 161 H TYR 21 H TYR 21 -3.227 -5.135 -8.276 162 HA TYR 21 HA TYR 21 -2.191 -3.812 -10.523 163 1HB TYR 21 2HB TYR 21 -1.187 -4.133 -7.689 164 2HB TYR 21 1HB TYR 21 -0.508 -3.002 -8.788 165 HD1 TYR 21 1HD TYR 21 -0.920 -1.531 -6.846 166 HD2 TYR 21 2HD TYR 21 -4.005 -3.270 -9.198 167 HE1 TYR 21 1HE TYR 21 -2.539 0.152 -5.965 168 HE2 TYR 21 2HE TYR 21 -5.629 -1.613 -8.348 169 HH TYR 21 HH TYR 21 -5.341 0.892 -7.336 170 H TYR 22 H TYR 22 -1.381 -6.842 -9.168 171 HA TYR 22 HA TYR 22 0.498 -8.116 -9.347 172 1HB TYR 22 2HB TYR 22 1.250 -7.319 -12.021 173 2HB TYR 22 1HB TYR 22 0.391 -8.772 -11.530 174 HD1 TYR 22 1HD TYR 22 -1.790 -9.114 -12.430 175 HD2 TYR 22 2HD TYR 22 -0.336 -5.121 -12.142 176 HE1 TYR 22 1HE TYR 22 -3.759 -8.298 -13.633 177 HE2 TYR 22 2HE TYR 22 -2.306 -4.299 -13.266 178 HH TYR 22 HH TYR 22 -4.510 -4.927 -13.861 179 H ARG 23 H ARG 23 0.503 -5.164 -8.705 180 HA ARG 23 HA ARG 23 2.017 -3.834 -7.660 181 1HB ARG 23 2HB ARG 23 3.782 -5.791 -8.417 182 2HB ARG 23 1HB ARG 23 4.382 -4.392 -9.302 183 1HG ARG 23 2HG ARG 23 4.532 -3.117 -7.256 184 2HG ARG 23 1HG ARG 23 3.826 -4.453 -6.344 185 1HD ARG 23 2HD ARG 23 6.275 -4.966 -7.958 186 2HD ARG 23 1HD ARG 23 6.439 -4.080 -6.444 187 HE ARG 23 HE ARG 23 5.785 -6.876 -6.770 188 1HH1 ARG 23 1HH1 ARG 23 5.747 -4.123 -4.622 189 2HH1 ARG 23 2HH1 ARG 23 5.710 -5.089 -3.186 190 1HH2 ARG 23 1HH2 ARG 23 5.727 -8.144 -4.883 191 2HH2 ARG 23 2HH2 ARG 23 5.697 -7.371 -3.334 192 HA PRO 24 HA PRO 24 3.120 -1.376 -11.781 193 1HB PRO 24 2HB PRO 24 1.455 -2.093 -13.843 194 2HB PRO 24 1HB PRO 24 3.123 -2.670 -13.684 195 1HG PRO 24 2HG PRO 24 0.588 -3.970 -12.718 196 2HG PRO 24 1HG PRO 24 1.862 -4.680 -13.734 197 1HD PRO 24 2HD PRO 24 1.923 -5.208 -11.201 198 2HD PRO 24 1HD PRO 24 3.433 -4.641 -11.931 199 H VAL 25 H VAL 25 -0.093 -2.760 -11.043 200 HA VAL 25 HA VAL 25 -1.972 -1.735 -10.342 201 HB VAL 25 HB VAL 25 -0.677 0.958 -10.717 202 1HG1 VAL 25 1HG1 VAL 25 -2.862 1.416 -10.274 203 2HG1 VAL 25 2HG1 VAL 25 -2.248 1.300 -8.626 204 3HG1 VAL 25 3HG1 VAL 25 -3.104 -0.064 -9.346 205 1HG2 VAL 25 1HG2 VAL 25 -0.096 -1.115 -8.730 206 2HG2 VAL 25 2HG2 VAL 25 -0.463 0.468 -8.047 207 3HG2 VAL 25 3HG2 VAL 25 0.848 0.292 -9.212 208 H CYS 26 H CYS 26 -0.997 -2.005 -13.244 209 HA CYS 26 HA CYS 26 -3.395 -0.929 -14.401 210 1HB CYS 26 2HB CYS 26 -1.810 1.015 -14.429 211 2HB CYS 26 1HB CYS 26 -0.755 0.071 -15.476 212 HG CYS 26 HG CYS 26 -2.699 0.126 -17.276 Start of MODEL 9 1 1H GLY 1 1HT GLY 1 -2.007 11.010 17.365 2 2H GLY 1 2HT GLY 1 -0.454 11.665 17.224 3 3H GLY 1 3HT GLY 1 -0.696 10.009 16.988 4 1HA GLY 1 1HA GLY 1 -2.305 10.789 15.123 5 2HA GLY 1 2HA GLY 1 -1.345 12.259 15.212 6 H ASN 2 H ASN 2 -0.986 11.487 12.904 7 HA ASN 2 HA ASN 2 0.617 10.913 11.386 8 1HB ASN 2 2HB ASN 2 2.205 11.351 13.364 9 2HB ASN 2 1HB ASN 2 2.243 9.600 13.545 10 1HD2 ASN 2 1HD2 ASN 2 2.228 11.730 10.706 11 2HD2 ASN 2 2HD2 ASN 2 3.673 11.090 10.009 12 H ASP 3 H ASP 3 -0.365 8.520 13.749 13 HA ASP 3 HA ASP 3 0.369 6.175 12.460 14 1HB ASP 3 2HB ASP 3 -1.134 6.939 14.719 15 2HB ASP 3 1HB ASP 3 -2.119 5.804 13.803 16 H TYR 4 H TYR 4 -1.805 8.404 11.311 17 HA TYR 4 HA TYR 4 -3.573 6.527 9.971 18 1HB TYR 4 2HB TYR 4 -4.557 8.706 9.004 19 2HB TYR 4 1HB TYR 4 -4.817 8.378 10.712 20 HD1 TYR 4 1HD TYR 4 -4.376 10.048 12.247 21 HD2 TYR 4 2HD TYR 4 -2.470 10.199 8.450 22 HE1 TYR 4 1HE TYR 4 -3.429 12.244 12.816 23 HE2 TYR 4 2HE TYR 4 -1.512 12.390 9.009 24 HH TYR 4 HH TYR 4 -0.968 13.569 11.545 25 H GLU 5 H GLU 5 -0.996 8.736 9.435 26 HA GLU 5 HA GLU 5 -0.911 8.440 6.626 27 1HB GLU 5 2HB GLU 5 0.090 10.351 8.381 28 2HB GLU 5 1HB GLU 5 1.521 9.457 7.891 29 1HG GLU 5 2HG GLU 5 0.232 9.879 5.510 30 2HG GLU 5 1HG GLU 5 -0.103 11.360 6.404 31 H ASP 6 H ASP 6 0.533 7.504 9.537 32 HA ASP 6 HA ASP 6 2.572 5.840 8.694 33 1HB ASP 6 2HB ASP 6 1.449 6.731 11.075 34 2HB ASP 6 1HB ASP 6 1.174 4.997 11.101 35 H ARG 7 H ARG 7 -0.707 5.142 9.805 36 HA ARG 7 HA ARG 7 -0.651 2.441 8.838 37 1HB ARG 7 2HB ARG 7 -2.893 4.163 9.910 38 2HB ARG 7 1HB ARG 7 -3.159 2.538 9.300 39 1HG ARG 7 2HG ARG 7 -1.342 3.258 11.591 40 2HG ARG 7 1HG ARG 7 -2.964 2.576 11.734 41 1HD ARG 7 2HD ARG 7 -1.863 0.773 10.083 42 2HD ARG 7 1HD ARG 7 -0.417 1.294 10.947 43 HE ARG 7 HE ARG 7 -2.442 0.752 12.811 44 1HH1 ARG 7 1HH1 ARG 7 -0.384 -0.921 10.546 45 2HH1 ARG 7 2HH1 ARG 7 -0.371 -2.397 11.450 46 1HH2 ARG 7 1HH2 ARG 7 -2.429 -1.192 14.005 47 2HH2 ARG 7 2HH2 ARG 7 -1.532 -2.552 13.413 48 H TYR 8 H TYR 8 -1.346 5.541 7.537 49 HA TYR 8 HA TYR 8 -3.092 4.958 5.416 50 1HB TYR 8 2HB TYR 8 -2.484 7.208 5.252 51 2HB TYR 8 1HB TYR 8 -0.909 6.909 5.912 52 HD1 TYR 8 1HD TYR 8 -2.694 5.857 2.840 53 HD2 TYR 8 2HD TYR 8 0.950 7.312 4.416 54 HE1 TYR 8 1HE TYR 8 -1.774 5.953 0.579 55 HE2 TYR 8 2HE TYR 8 1.883 7.422 2.173 56 HH TYR 8 HH TYR 8 1.170 7.541 -0.126 57 H TYR 9 H TYR 9 0.273 5.150 5.857 58 HA TYR 9 HA TYR 9 0.767 4.053 3.405 59 1HB TYR 9 2HB TYR 9 2.323 5.677 4.227 60 2HB TYR 9 1HB TYR 9 2.629 4.695 5.676 61 HD1 TYR 9 1HD TYR 9 2.798 4.798 2.101 62 HD2 TYR 9 2HD TYR 9 4.135 2.851 5.637 63 HE1 TYR 9 1HE TYR 9 4.370 3.431 0.730 64 HE2 TYR 9 2HE TYR 9 5.780 1.542 4.308 65 HH TYR 9 HH TYR 9 6.609 1.122 2.269 66 H ARG 10 H ARG 10 0.839 2.834 6.684 67 HA ARG 10 HA ARG 10 2.341 0.538 6.094 68 1HB ARG 10 2HB ARG 10 1.898 1.211 8.329 69 2HB ARG 10 1HB ARG 10 0.160 0.919 8.139 70 1HG ARG 10 2HG ARG 10 1.110 -0.921 9.351 71 2HG ARG 10 1HG ARG 10 0.673 -1.487 7.737 72 1HD ARG 10 2HD ARG 10 3.408 -0.449 8.005 73 2HD ARG 10 1HD ARG 10 3.076 -1.915 8.923 74 HE ARG 10 HE ARG 10 2.244 -2.821 6.710 75 1HH1 ARG 10 1HH1 ARG 10 4.770 -0.408 6.921 76 2HH1 ARG 10 2HH1 ARG 10 5.484 -0.855 5.411 77 1HH2 ARG 10 1HH2 ARG 10 3.191 -3.397 4.726 78 2HH2 ARG 10 2HH2 ARG 10 4.590 -2.546 4.166 79 H GLU 11 H GLU 11 -0.770 1.613 5.336 80 HA GLU 11 HA GLU 11 -1.981 -0.809 4.456 81 1HB GLU 11 2HB GLU 11 -3.057 1.492 4.809 82 2HB GLU 11 1HB GLU 11 -2.381 1.900 3.235 83 1HG GLU 11 2HG GLU 11 -3.673 0.309 2.123 84 2HG GLU 11 1HG GLU 11 -4.078 -0.533 3.616 85 H ASN 12 H ASN 12 0.862 0.452 3.512 86 HA ASN 12 HA ASN 12 0.786 0.405 0.704 87 1HB ASN 12 2HB ASN 12 3.225 0.277 0.846 88 2HB ASN 12 1HB ASN 12 2.590 1.545 1.888 89 1HD2 ASN 12 1HD2 ASN 12 5.070 -0.148 1.865 90 2HD2 ASN 12 2HD2 ASN 12 5.181 -0.760 3.480 91 H MET 13 H MET 13 0.218 -1.941 2.923 92 HA MET 13 HA MET 13 1.562 -3.995 1.574 93 1HB MET 13 2HB MET 13 -0.379 -5.348 2.932 94 2HB MET 13 1HB MET 13 1.180 -4.930 3.620 95 1HG MET 13 2HG MET 13 0.245 -3.611 5.134 96 2HG MET 13 1HG MET 13 -0.693 -2.755 3.916 97 1HE MET 13 1HE MET 13 -3.455 -2.687 5.065 98 2HE MET 13 2HE MET 13 -1.977 -2.393 5.982 99 3HE MET 13 3HE MET 13 -3.213 -3.472 6.626 100 H TYR 14 H TYR 14 -1.119 -2.134 1.126 101 HA TYR 14 HA TYR 14 -2.428 -4.048 -0.493 102 1HB TYR 14 2HB TYR 14 -4.236 -2.594 -0.587 103 2HB TYR 14 1HB TYR 14 -3.445 -1.904 0.829 104 HD1 TYR 14 1HD TYR 14 -5.099 -0.892 -1.922 105 HD2 TYR 14 2HD TYR 14 -1.275 -0.378 -0.131 106 HE1 TYR 14 1HE TYR 14 -4.820 1.226 -3.144 107 HE2 TYR 14 2HE TYR 14 -0.972 1.719 -1.367 108 HH TYR 14 HH TYR 14 -2.659 3.517 -2.382 109 H ARG 15 H ARG 15 -0.026 -1.851 -0.527 110 HA ARG 15 HA ARG 15 0.115 -1.174 -3.289 111 1HB ARG 15 2HB ARG 15 1.153 -0.268 -0.880 112 2HB ARG 15 1HB ARG 15 2.547 -0.937 -1.701 113 1HG ARG 15 2HG ARG 15 1.577 0.497 -3.687 114 2HG ARG 15 1HG ARG 15 0.884 1.409 -2.339 115 1HD ARG 15 2HD ARG 15 2.850 2.371 -1.950 116 2HD ARG 15 1HD ARG 15 3.589 0.789 -1.708 117 HE ARG 15 HE ARG 15 3.829 2.468 -4.015 118 1HH1 ARG 15 1HH1 ARG 15 3.861 -0.842 -2.912 119 2HH1 ARG 15 2HH1 ARG 15 4.856 -1.400 -4.212 120 1HH2 ARG 15 1HH2 ARG 15 5.143 1.739 -5.728 121 2HH2 ARG 15 2HH2 ARG 15 5.590 0.068 -5.811 122 H TYR 16 H TYR 16 1.057 -3.736 -1.169 123 HA TYR 16 HA TYR 16 3.272 -4.738 -2.649 124 1HB TYR 16 2HB TYR 16 1.477 -5.753 -0.485 125 2HB TYR 16 1HB TYR 16 2.890 -6.637 -1.051 126 HD1 TYR 16 1HD TYR 16 2.297 -3.021 -0.234 127 HD2 TYR 16 2HD TYR 16 4.482 -6.603 0.477 128 HE1 TYR 16 1HE TYR 16 3.841 -1.788 1.228 129 HE2 TYR 16 2HE TYR 16 5.994 -5.383 1.991 130 HH TYR 16 HH TYR 16 6.164 -3.404 3.249 131 HA PRO 17 HA PRO 17 1.023 -7.971 -4.895 132 1HB PRO 17 2HB PRO 17 -0.705 -9.550 -3.551 133 2HB PRO 17 1HB PRO 17 0.977 -9.993 -3.895 134 1HG PRO 17 2HG PRO 17 -0.273 -9.109 -1.368 135 2HG PRO 17 1HG PRO 17 1.214 -10.037 -1.618 136 1HD PRO 17 2HD PRO 17 1.126 -7.396 -0.878 137 2HD PRO 17 1HD PRO 17 2.499 -8.158 -1.664 138 H ASN 18 H ASN 18 -0.140 -5.783 -4.932 139 HA ASN 18 HA ASN 18 -2.799 -5.626 -4.124 140 1HB ASN 18 2HB ASN 18 -2.284 -4.254 -6.655 141 2HB ASN 18 1HB ASN 18 -2.934 -3.629 -5.160 142 1HD2 ASN 18 1HD2 ASN 18 0.179 -4.749 -6.482 143 2HD2 ASN 18 2HD2 ASN 18 1.118 -3.518 -5.706 144 H GLN 19 H GLN 19 -4.336 -6.735 -4.683 145 HA GLN 19 HA GLN 19 -4.740 -8.915 -5.899 146 1HB GLN 19 2HB GLN 19 -7.046 -8.350 -6.222 147 2HB GLN 19 1HB GLN 19 -6.438 -7.430 -4.844 148 1HG GLN 19 2HG GLN 19 -6.502 -6.324 -7.647 149 2HG GLN 19 1HG GLN 19 -7.832 -6.128 -6.516 150 1HE2 GLN 19 1HE2 GLN 19 -4.563 -5.053 -7.369 151 2HE2 GLN 19 2HE2 GLN 19 -4.512 -3.794 -6.188 152 H VAL 20 H VAL 20 -3.463 -6.700 -7.901 153 HA VAL 20 HA VAL 20 -3.857 -8.220 -10.222 154 HB VAL 20 HB VAL 20 -6.053 -7.346 -10.346 155 1HG1 VAL 20 1HG1 VAL 20 -6.446 -4.861 -10.347 156 2HG1 VAL 20 2HG1 VAL 20 -4.778 -4.679 -9.818 157 3HG1 VAL 20 3HG1 VAL 20 -5.934 -5.515 -8.795 158 1HG2 VAL 20 1HG2 VAL 20 -5.979 -5.903 -12.353 159 2HG2 VAL 20 2HG2 VAL 20 -4.987 -7.357 -12.473 160 3HG2 VAL 20 3HG2 VAL 20 -4.232 -5.796 -12.144 161 H TYR 21 H TYR 21 -3.112 -5.283 -8.656 162 HA TYR 21 HA TYR 21 -1.726 -3.959 -10.720 163 1HB TYR 21 2HB TYR 21 -1.150 -4.234 -7.761 164 2HB TYR 21 1HB TYR 21 -0.381 -3.079 -8.768 165 HD1 TYR 21 1HD TYR 21 -1.183 -1.743 -6.781 166 HD2 TYR 21 2HD TYR 21 -3.696 -3.381 -9.795 167 HE1 TYR 21 1HE TYR 21 -2.980 -0.132 -6.154 168 HE2 TYR 21 2HE TYR 21 -5.493 -1.791 -9.201 169 HH TYR 21 HH TYR 21 -5.822 0.291 -8.086 170 H TYR 22 H TYR 22 -1.101 -6.948 -9.179 171 HA TYR 22 HA TYR 22 0.800 -8.189 -9.045 172 1HB TYR 22 2HB TYR 22 1.968 -7.397 -11.567 173 2HB TYR 22 1HB TYR 22 1.065 -8.864 -11.210 174 HD1 TYR 22 1HD TYR 22 -0.962 -9.244 -12.426 175 HD2 TYR 22 2HD TYR 22 0.417 -5.233 -12.003 176 HE1 TYR 22 1HE TYR 22 -2.715 -8.467 -13.949 177 HE2 TYR 22 2HE TYR 22 -1.350 -4.450 -13.445 178 HH TYR 22 HH TYR 22 -2.815 -5.227 -15.163 179 H ARG 23 H ARG 23 0.630 -5.224 -8.460 180 HA ARG 23 HA ARG 23 1.939 -3.863 -7.177 181 1HB ARG 23 2HB ARG 23 3.788 -5.733 -7.402 182 2HB ARG 23 1HB ARG 23 4.479 -4.600 -8.559 183 1HG ARG 23 2HG ARG 23 4.387 -2.842 -6.811 184 2HG ARG 23 1HG ARG 23 3.852 -4.073 -5.664 185 1HD ARG 23 2HD ARG 23 6.438 -4.144 -7.216 186 2HD ARG 23 1HD ARG 23 6.281 -3.643 -5.533 187 HE ARG 23 HE ARG 23 5.305 -6.026 -5.281 188 1HH1 ARG 23 1HH1 ARG 23 7.951 -5.115 -7.380 189 2HH1 ARG 23 2HH1 ARG 23 8.688 -6.679 -7.325 190 1HH2 ARG 23 1HH2 ARG 23 6.282 -8.076 -5.213 191 2HH2 ARG 23 2HH2 ARG 23 7.745 -8.357 -6.097 192 HA PRO 24 HA PRO 24 3.672 -1.413 -11.071 193 1HB PRO 24 2HB PRO 24 2.506 -2.187 -13.422 194 2HB PRO 24 1HB PRO 24 4.101 -2.741 -12.890 195 1HG PRO 24 2HG PRO 24 1.428 -4.056 -12.482 196 2HG PRO 24 1HG PRO 24 2.899 -4.765 -13.181 197 1HD PRO 24 2HD PRO 24 2.392 -5.247 -10.685 198 2HD PRO 24 1HD PRO 24 4.030 -4.708 -11.087 199 H VAL 25 H VAL 25 0.346 -2.797 -11.151 200 HA VAL 25 HA VAL 25 -1.678 -1.833 -11.347 201 HB VAL 25 HB VAL 25 -1.032 -0.775 -9.201 202 1HG1 VAL 25 1HG1 VAL 25 0.804 0.588 -9.635 203 2HG1 VAL 25 2HG1 VAL 25 -0.512 1.731 -9.359 204 3HG1 VAL 25 3HG1 VAL 25 0.014 1.374 -11.004 205 1HG2 VAL 25 1HG2 VAL 25 -2.911 0.523 -9.113 206 2HG2 VAL 25 2HG2 VAL 25 -3.206 -0.336 -10.627 207 3HG2 VAL 25 3HG2 VAL 25 -2.569 1.310 -10.655 208 H CYS 26 H CYS 26 0.329 -1.517 -13.452 209 HA CYS 26 HA CYS 26 0.596 -0.480 -15.467 210 1HB CYS 26 2HB CYS 26 -2.215 -0.659 -14.931 211 2HB CYS 26 1HB CYS 26 -1.898 0.825 -15.823 212 HG CYS 26 HG CYS 26 -1.647 -0.508 -17.848 Start of MODEL 10 1 1H GLY 1 1HT GLY 1 3.599 11.172 9.994 2 2H GLY 1 2HT GLY 1 3.345 10.355 11.454 3 3H GLY 1 3HT GLY 1 4.684 11.372 11.277 4 1HA GLY 1 1HA GLY 1 3.468 12.940 12.252 5 2HA GLY 1 2HA GLY 1 2.645 13.043 10.703 6 H ASN 2 H ASN 2 1.432 10.400 10.938 7 HA ASN 2 HA ASN 2 -0.182 10.441 13.316 8 1HB ASN 2 2HB ASN 2 -1.250 11.438 10.705 9 2HB ASN 2 1HB ASN 2 -2.313 10.541 11.786 10 1HD2 ASN 2 1HD2 ASN 2 -1.642 13.516 10.894 11 2HD2 ASN 2 2HD2 ASN 2 -1.889 14.378 12.370 12 H ASP 3 H ASP 3 -1.344 8.569 13.634 13 HA ASP 3 HA ASP 3 -0.346 6.206 12.556 14 1HB ASP 3 2HB ASP 3 -2.037 6.926 14.619 15 2HB ASP 3 1HB ASP 3 -3.051 5.938 13.572 16 H TYR 4 H TYR 4 -2.392 8.316 11.045 17 HA TYR 4 HA TYR 4 -3.937 6.388 9.539 18 1HB TYR 4 2HB TYR 4 -5.301 8.113 8.865 19 2HB TYR 4 1HB TYR 4 -4.749 8.748 10.406 20 HD1 TYR 4 1HD TYR 4 -3.616 10.811 10.516 21 HD2 TYR 4 2HD TYR 4 -4.196 8.944 6.739 22 HE1 TYR 4 1HE TYR 4 -2.844 12.859 9.394 23 HE2 TYR 4 2HE TYR 4 -3.425 10.986 5.607 24 HH TYR 4 HH TYR 4 -3.334 13.861 6.853 25 H GLU 5 H GLU 5 -1.289 8.562 9.279 26 HA GLU 5 HA GLU 5 -0.826 8.124 6.527 27 1HB GLU 5 2HB GLU 5 0.591 9.676 8.669 28 2HB GLU 5 1HB GLU 5 1.438 9.279 7.180 29 1HG GLU 5 2HG GLU 5 -1.166 10.420 6.664 30 2HG GLU 5 1HG GLU 5 -0.160 11.487 7.639 31 H ASP 6 H ASP 6 0.182 7.332 9.655 32 HA ASP 6 HA ASP 6 2.304 5.618 9.190 33 1HB ASP 6 2HB ASP 6 0.860 6.624 11.341 34 2HB ASP 6 1HB ASP 6 0.557 4.892 11.401 35 H ARG 7 H ARG 7 -1.104 4.976 9.867 36 HA ARG 7 HA ARG 7 -0.919 2.242 9.025 37 1HB ARG 7 2HB ARG 7 -3.143 3.996 9.958 38 2HB ARG 7 1HB ARG 7 -3.564 2.611 8.971 39 1HG ARG 7 2HG ARG 7 -1.701 2.000 11.142 40 2HG ARG 7 1HG ARG 7 -3.285 2.566 11.674 41 1HD ARG 7 2HD ARG 7 -4.291 0.670 11.050 42 2HD ARG 7 1HD ARG 7 -3.445 0.633 9.505 43 HE ARG 7 HE ARG 7 -2.144 -0.265 11.989 44 1HH1 ARG 7 1HH1 ARG 7 -3.121 -0.859 8.680 45 2HH1 ARG 7 2HH1 ARG 7 -2.256 -2.352 8.569 46 1HH2 ARG 7 1HH2 ARG 7 -1.019 -2.232 11.834 47 2HH2 ARG 7 2HH2 ARG 7 -1.064 -3.131 10.355 48 H TYR 8 H TYR 8 -1.398 5.286 7.502 49 HA TYR 8 HA TYR 8 -2.824 4.601 5.182 50 1HB TYR 8 2HB TYR 8 -2.179 6.830 4.994 51 2HB TYR 8 1HB TYR 8 -0.721 6.573 5.888 52 HD1 TYR 8 1HD TYR 8 -2.031 5.341 2.643 53 HD2 TYR 8 2HD TYR 8 1.321 6.936 4.663 54 HE1 TYR 8 1HE TYR 8 -0.780 5.334 0.543 55 HE2 TYR 8 2HE TYR 8 2.582 6.949 2.587 56 HH TYR 8 HH TYR 8 2.164 6.966 0.165 57 H TYR 9 H TYR 9 0.455 4.766 6.095 58 HA TYR 9 HA TYR 9 1.263 3.566 3.784 59 1HB TYR 9 2HB TYR 9 2.725 5.179 4.813 60 2HB TYR 9 1HB TYR 9 2.841 4.167 6.271 61 HD1 TYR 9 1HD TYR 9 3.350 4.266 2.724 62 HD2 TYR 9 2HD TYR 9 4.320 2.321 6.379 63 HE1 TYR 9 1HE TYR 9 5.003 2.849 1.509 64 HE2 TYR 9 2HE TYR 9 6.047 0.961 5.213 65 HH TYR 9 HH TYR 9 6.209 0.752 1.804 66 H ARG 10 H ARG 10 0.865 2.455 7.081 67 HA ARG 10 HA ARG 10 2.323 0.076 6.675 68 1HB ARG 10 2HB ARG 10 1.808 0.732 8.858 69 2HB ARG 10 1HB ARG 10 0.063 0.702 8.559 70 1HG ARG 10 2HG ARG 10 0.864 -1.232 9.888 71 2HG ARG 10 1HG ARG 10 0.072 -1.701 8.384 72 1HD ARG 10 2HD ARG 10 1.900 -3.045 8.247 73 2HD ARG 10 1HD ARG 10 2.575 -1.604 7.491 74 HE ARG 10 HE ARG 10 2.932 -1.894 10.367 75 1HH1 ARG 10 1HH1 ARG 10 4.311 -2.161 7.166 76 2HH1 ARG 10 2HH1 ARG 10 5.944 -2.163 7.739 77 1HH2 ARG 10 1HH2 ARG 10 5.081 -1.902 11.112 78 2HH2 ARG 10 2HH2 ARG 10 6.381 -2.021 9.975 79 H GLU 11 H GLU 11 -0.632 1.279 5.609 80 HA GLU 11 HA GLU 11 -1.871 -1.109 4.657 81 1HB GLU 11 2HB GLU 11 -2.835 1.295 4.937 82 2HB GLU 11 1HB GLU 11 -2.110 1.571 3.357 83 1HG GLU 11 2HG GLU 11 -3.476 0.018 2.305 84 2HG GLU 11 1HG GLU 11 -3.929 -0.754 3.823 85 H ASN 12 H ASN 12 1.092 -0.034 3.972 86 HA ASN 12 HA ASN 12 1.233 0.057 1.180 87 1HB ASN 12 2HB ASN 12 3.625 -0.267 1.475 88 2HB ASN 12 1HB ASN 12 3.019 0.973 2.563 89 1HD2 ASN 12 1HD2 ASN 12 5.292 -1.088 2.472 90 2HD2 ASN 12 2HD2 ASN 12 5.285 -1.745 4.076 91 H MET 13 H MET 13 0.303 -2.369 3.210 92 HA MET 13 HA MET 13 1.582 -4.430 1.818 93 1HB MET 13 2HB MET 13 -0.805 -4.468 3.663 94 2HB MET 13 1HB MET 13 -0.123 -5.920 2.945 95 1HG MET 13 2HG MET 13 1.969 -5.549 4.101 96 2HG MET 13 1HG MET 13 1.350 -4.040 4.773 97 1HE MET 13 1HE MET 13 -0.101 -4.624 7.770 98 2HE MET 13 2HE MET 13 -1.490 -4.770 6.694 99 3HE MET 13 3HE MET 13 -0.172 -3.672 6.287 100 H TYR 14 H TYR 14 -0.890 -2.302 1.309 101 HA TYR 14 HA TYR 14 -2.231 -3.961 -0.546 102 1HB TYR 14 2HB TYR 14 -3.889 -2.334 -0.647 103 2HB TYR 14 1HB TYR 14 -3.144 -1.825 0.866 104 HD1 TYR 14 1HD TYR 14 -4.493 -0.473 -1.911 105 HD2 TYR 14 2HD TYR 14 -0.788 -0.444 0.178 106 HE1 TYR 14 1HE TYR 14 -3.938 1.697 -2.936 107 HE2 TYR 14 2HE TYR 14 -0.212 1.700 -0.857 108 HH TYR 14 HH TYR 14 -1.400 2.897 -3.425 109 H ARG 15 H ARG 15 0.337 -1.987 -0.234 110 HA ARG 15 HA ARG 15 0.794 -1.123 -2.906 111 1HB ARG 15 2HB ARG 15 1.672 -0.519 -0.354 112 2HB ARG 15 1HB ARG 15 3.067 -1.294 -1.072 113 1HG ARG 15 2HG ARG 15 2.538 0.384 -3.014 114 2HG ARG 15 1HG ARG 15 1.742 1.267 -1.704 115 1HD ARG 15 2HD ARG 15 3.710 1.959 -0.916 116 2HD ARG 15 1HD ARG 15 4.278 0.295 -0.792 117 HE ARG 15 HE ARG 15 5.079 2.193 -2.716 118 1HH1 ARG 15 1HH1 ARG 15 4.231 -1.184 -2.438 119 2HH1 ARG 15 2HH1 ARG 15 5.243 -1.677 -3.748 120 1HH2 ARG 15 1HH2 ARG 15 6.416 1.549 -4.439 121 2HH2 ARG 15 2HH2 ARG 15 6.490 -0.123 -4.887 122 H TYR 16 H TYR 16 1.348 -3.908 -0.912 123 HA TYR 16 HA TYR 16 3.550 -5.026 -2.332 124 1HB TYR 16 2HB TYR 16 1.493 -6.059 -0.408 125 2HB TYR 16 1HB TYR 16 2.878 -6.999 -0.942 126 HD1 TYR 16 1HD TYR 16 2.477 -3.462 0.223 127 HD2 TYR 16 2HD TYR 16 4.372 -7.244 0.681 128 HE1 TYR 16 1HE TYR 16 3.952 -2.518 1.929 129 HE2 TYR 16 2HE TYR 16 5.818 -6.302 2.440 130 HH TYR 16 HH TYR 16 5.337 -3.841 4.121 131 HA PRO 17 HA PRO 17 1.123 -7.687 -5.053 132 1HB PRO 17 2HB PRO 17 -0.628 -9.414 -3.944 133 2HB PRO 17 1HB PRO 17 1.036 -9.839 -4.378 134 1HG PRO 17 2HG PRO 17 -0.156 -9.405 -1.726 135 2HG PRO 17 1HG PRO 17 1.359 -10.213 -2.152 136 1HD PRO 17 2HD PRO 17 1.113 -7.688 -1.007 137 2HD PRO 17 1HD PRO 17 2.561 -8.334 -1.768 138 H ASN 18 H ASN 18 0.103 -5.585 -4.937 139 HA ASN 18 HA ASN 18 -2.439 -5.175 -3.926 140 1HB ASN 18 2HB ASN 18 -1.933 -3.797 -6.457 141 2HB ASN 18 1HB ASN 18 -2.423 -3.147 -4.916 142 1HD2 ASN 18 1HD2 ASN 18 0.438 -4.474 -6.569 143 2HD2 ASN 18 2HD2 ASN 18 1.573 -3.429 -5.776 144 H GLN 19 H GLN 19 -4.062 -6.205 -4.301 145 HA GLN 19 HA GLN 19 -4.826 -8.268 -5.535 146 1HB GLN 19 2HB GLN 19 -7.093 -7.498 -5.502 147 2HB GLN 19 1HB GLN 19 -6.216 -6.715 -4.184 148 1HG GLN 19 2HG GLN 19 -6.535 -5.429 -6.890 149 2HG GLN 19 1HG GLN 19 -7.719 -5.223 -5.609 150 1HE2 GLN 19 1HE2 GLN 19 -4.461 -4.370 -6.726 151 2HE2 GLN 19 2HE2 GLN 19 -4.196 -3.179 -5.500 152 H VAL 20 H VAL 20 -3.541 -6.273 -7.685 153 HA VAL 20 HA VAL 20 -4.503 -7.569 -9.937 154 HB VAL 20 HB VAL 20 -6.599 -6.527 -9.724 155 1HG1 VAL 20 1HG1 VAL 20 -5.693 -3.738 -9.685 156 2HG1 VAL 20 2HG1 VAL 20 -5.339 -4.644 -8.220 157 3HG1 VAL 20 3HG1 VAL 20 -7.001 -4.502 -8.783 158 1HG2 VAL 20 1HG2 VAL 20 -6.528 -6.144 -11.900 159 2HG2 VAL 20 2HG2 VAL 20 -4.848 -5.637 -11.815 160 3HG2 VAL 20 3HG2 VAL 20 -6.130 -4.474 -11.506 161 H TYR 21 H TYR 21 -3.343 -4.751 -8.424 162 HA TYR 21 HA TYR 21 -2.142 -3.400 -10.541 163 1HB TYR 21 2HB TYR 21 -1.224 -3.991 -7.723 164 2HB TYR 21 1HB TYR 21 -0.406 -2.864 -8.734 165 HD1 TYR 21 1HD TYR 21 -0.748 -1.472 -6.712 166 HD2 TYR 21 2HD TYR 21 -3.897 -2.780 -9.258 167 HE1 TYR 21 1HE TYR 21 -2.240 0.291 -5.767 168 HE2 TYR 21 2HE TYR 21 -5.397 -1.036 -8.349 169 HH TYR 21 HH TYR 21 -4.216 1.439 -6.147 170 H TYR 22 H TYR 22 -1.506 -6.566 -9.370 171 HA TYR 22 HA TYR 22 0.299 -7.931 -9.650 172 1HB TYR 22 2HB TYR 22 1.081 -6.992 -12.276 173 2HB TYR 22 1HB TYR 22 0.159 -8.437 -11.877 174 HD1 TYR 22 1HD TYR 22 -2.069 -8.610 -12.748 175 HD2 TYR 22 2HD TYR 22 -0.381 -4.726 -12.265 176 HE1 TYR 22 1HE TYR 22 -4.000 -7.615 -13.873 177 HE2 TYR 22 2HE TYR 22 -2.310 -3.732 -13.304 178 HH TYR 22 HH TYR 22 -4.422 -4.121 -14.075 179 H ARG 23 H ARG 23 0.436 -5.026 -8.840 180 HA ARG 23 HA ARG 23 2.017 -3.852 -7.692 181 1HB ARG 23 2HB ARG 23 3.726 -5.660 -8.074 182 2HB ARG 23 1HB ARG 23 4.134 -4.873 -9.596 183 1HG ARG 23 2HG ARG 23 4.464 -2.761 -8.170 184 2HG ARG 23 1HG ARG 23 4.512 -3.876 -6.803 185 1HD ARG 23 2HD ARG 23 6.320 -3.910 -9.219 186 2HD ARG 23 1HD ARG 23 6.759 -3.430 -7.579 187 HE ARG 23 HE ARG 23 5.756 -6.140 -7.938 188 1HH1 ARG 23 1HH1 ARG 23 8.523 -4.042 -7.570 189 2HH1 ARG 23 2HH1 ARG 23 9.572 -5.311 -7.037 190 1HH2 ARG 23 1HH2 ARG 23 7.142 -7.813 -7.243 191 2HH2 ARG 23 2HH2 ARG 23 8.790 -7.450 -6.850 192 HA PRO 24 HA PRO 24 3.223 -1.182 -11.671 193 1HB PRO 24 2HB PRO 24 1.527 -1.729 -13.770 194 2HB PRO 24 1HB PRO 24 3.190 -2.323 -13.658 195 1HG PRO 24 2HG PRO 24 0.645 -3.674 -12.809 196 2HG PRO 24 1HG PRO 24 1.945 -4.326 -13.829 197 1HD PRO 24 2HD PRO 24 1.916 -5.000 -11.324 198 2HD PRO 24 1HD PRO 24 3.455 -4.427 -11.987 199 H VAL 25 H VAL 25 0.006 -2.478 -10.953 200 HA VAL 25 HA VAL 25 -1.837 -1.475 -10.206 201 HB VAL 25 HB VAL 25 -1.837 0.581 -9.186 202 1HG1 VAL 25 1HG1 VAL 25 1.144 0.296 -9.343 203 2HG1 VAL 25 2HG1 VAL 25 0.142 -0.868 -8.476 204 3HG1 VAL 25 3HG1 VAL 25 0.150 0.826 -7.985 205 1HG2 VAL 25 1HG2 VAL 25 -1.322 2.515 -10.178 206 2HG2 VAL 25 2HG2 VAL 25 -0.871 1.583 -11.601 207 3HG2 VAL 25 3HG2 VAL 25 0.352 2.023 -10.415 208 H CYS 26 H CYS 26 -0.854 -1.516 -13.115 209 HA CYS 26 HA CYS 26 -3.283 -0.430 -14.190 210 1HB CYS 26 2HB CYS 26 -2.094 1.020 -15.864 211 2HB CYS 26 1HB CYS 26 -2.044 1.616 -14.210 212 HG CYS 26 HG CYS 26 0.469 0.304 -14.364 Start of MODEL 11 1 1H GLY 1 1HT GLY 1 3.831 11.278 14.680 2 2H GLY 1 2HT GLY 1 5.036 10.465 13.818 3 3H GLY 1 3HT GLY 1 3.905 9.589 14.720 4 1HA GLY 1 1HA GLY 1 3.014 11.357 12.540 5 2HA GLY 1 2HA GLY 1 3.614 9.746 12.179 6 H ASN 2 H ASN 2 0.972 10.738 11.715 7 HA ASN 2 HA ASN 2 -0.744 9.578 13.722 8 1HB ASN 2 2HB ASN 2 -1.400 10.690 10.987 9 2HB ASN 2 1HB ASN 2 -2.568 10.295 12.248 10 1HD2 ASN 2 1HD2 ASN 2 -1.023 12.769 10.823 11 2HD2 ASN 2 2HD2 ASN 2 -1.014 13.914 12.118 12 H ASP 3 H ASP 3 -1.819 7.677 13.595 13 HA ASP 3 HA ASP 3 -0.741 5.527 12.195 14 1HB ASP 3 2HB ASP 3 -2.672 5.927 14.170 15 2HB ASP 3 1HB ASP 3 -3.482 5.029 12.891 16 H TYR 4 H TYR 4 -2.617 7.883 10.869 17 HA TYR 4 HA TYR 4 -4.084 6.246 8.990 18 1HB TYR 4 2HB TYR 4 -5.131 8.241 8.229 19 2HB TYR 4 1HB TYR 4 -5.059 8.368 9.979 20 HD1 TYR 4 1HD TYR 4 -4.282 10.328 10.931 21 HD2 TYR 4 2HD TYR 4 -3.177 9.421 6.924 22 HE1 TYR 4 1HE TYR 4 -3.231 12.540 10.726 23 HE2 TYR 4 2HE TYR 4 -2.118 11.631 6.711 24 HH TYR 4 HH TYR 4 -2.234 13.833 7.733 25 H GLU 5 H GLU 5 -1.385 8.382 9.195 26 HA GLU 5 HA GLU 5 -0.703 8.127 6.465 27 1HB GLU 5 2HB GLU 5 0.123 9.869 8.657 28 2HB GLU 5 1HB GLU 5 1.478 9.291 7.693 29 1HG GLU 5 2HG GLU 5 -0.809 10.260 6.138 30 2HG GLU 5 1HG GLU 5 -0.005 11.485 7.118 31 H ASP 6 H ASP 6 0.089 7.172 9.615 32 HA ASP 6 HA ASP 6 2.345 5.619 9.210 33 1HB ASP 6 2HB ASP 6 0.657 6.331 11.300 34 2HB ASP 6 1HB ASP 6 0.451 4.592 11.163 35 H ARG 7 H ARG 7 -1.058 4.724 9.540 36 HA ARG 7 HA ARG 7 -0.631 2.102 8.447 37 1HB ARG 7 2HB ARG 7 -2.516 2.680 10.053 38 2HB ARG 7 1HB ARG 7 -3.306 3.488 8.703 39 1HG ARG 7 2HG ARG 7 -3.545 1.457 7.507 40 2HG ARG 7 1HG ARG 7 -2.471 0.601 8.614 41 1HD ARG 7 2HD ARG 7 -4.131 1.007 10.427 42 2HD ARG 7 1HD ARG 7 -5.215 1.692 9.221 43 HE ARG 7 HE ARG 7 -5.388 -0.471 8.211 44 1HH1 ARG 7 1HH1 ARG 7 -3.746 -0.457 11.302 45 2HH1 ARG 7 2HH1 ARG 7 -4.001 -2.145 11.578 46 1HH2 ARG 7 1HH2 ARG 7 -5.703 -2.697 8.582 47 2HH2 ARG 7 2HH2 ARG 7 -5.103 -3.413 10.040 48 H TYR 8 H TYR 8 -1.199 5.252 7.180 49 HA TYR 8 HA TYR 8 -2.406 4.708 4.710 50 1HB TYR 8 2HB TYR 8 -1.879 6.974 4.747 51 2HB TYR 8 1HB TYR 8 -0.479 6.712 5.737 52 HD1 TYR 8 1HD TYR 8 -1.498 5.775 2.296 53 HD2 TYR 8 2HD TYR 8 1.658 7.172 4.728 54 HE1 TYR 8 1HE TYR 8 -0.086 5.991 0.313 55 HE2 TYR 8 2HE TYR 8 3.080 7.403 2.775 56 HH TYR 8 HH TYR 8 2.196 7.641 -0.144 57 H TYR 9 H TYR 9 0.808 4.951 5.869 58 HA TYR 9 HA TYR 9 1.781 3.968 3.508 59 1HB TYR 9 2HB TYR 9 3.143 5.565 4.699 60 2HB TYR 9 1HB TYR 9 3.236 4.467 6.096 61 HD1 TYR 9 1HD TYR 9 3.858 4.776 2.575 62 HD2 TYR 9 2HD TYR 9 4.809 2.699 6.161 63 HE1 TYR 9 1HE TYR 9 5.603 3.487 1.340 64 HE2 TYR 9 2HE TYR 9 6.629 1.472 4.981 65 HH TYR 9 HH TYR 9 6.818 1.025 1.891 66 H ARG 10 H ARG 10 1.280 2.653 6.701 67 HA ARG 10 HA ARG 10 2.853 0.360 6.256 68 1HB ARG 10 2HB ARG 10 2.112 1.050 8.427 69 2HB ARG 10 1HB ARG 10 0.427 0.666 8.022 70 1HG ARG 10 2HG ARG 10 1.630 -1.694 7.472 71 2HG ARG 10 1HG ARG 10 2.653 -1.105 8.781 72 1HD ARG 10 2HD ARG 10 0.633 -0.757 10.159 73 2HD ARG 10 1HD ARG 10 -0.343 -1.440 8.860 74 HE ARG 10 HE ARG 10 1.120 -2.881 10.802 75 1HH1 ARG 10 1HH1 ARG 10 0.268 -2.949 7.417 76 2HH1 ARG 10 2HH1 ARG 10 0.399 -4.670 7.291 77 1HH2 ARG 10 1HH2 ARG 10 1.280 -5.150 10.637 78 2HH2 ARG 10 2HH2 ARG 10 0.968 -5.919 9.117 79 H GLU 11 H GLU 11 -0.056 1.525 5.046 80 HA GLU 11 HA GLU 11 -1.163 -0.870 3.978 81 1HB GLU 11 2HB GLU 11 -2.361 1.337 4.220 82 2HB GLU 11 1HB GLU 11 -1.393 1.912 2.865 83 1HG GLU 11 2HG GLU 11 -2.339 0.374 1.378 84 2HG GLU 11 1HG GLU 11 -3.050 -0.571 2.681 85 H ASN 12 H ASN 12 1.794 0.382 3.495 86 HA ASN 12 HA ASN 12 2.126 0.378 0.691 87 1HB ASN 12 2HB ASN 12 4.457 0.431 1.104 88 2HB ASN 12 1HB ASN 12 3.725 1.442 2.334 89 1HD2 ASN 12 1HD2 ASN 12 2.839 -0.932 3.908 90 2HD2 ASN 12 2HD2 ASN 12 4.271 -1.516 4.667 91 H MET 13 H MET 13 1.315 -1.975 2.884 92 HA MET 13 HA MET 13 2.707 -3.993 1.497 93 1HB MET 13 2HB MET 13 1.067 -3.896 3.907 94 2HB MET 13 1HB MET 13 0.705 -5.298 2.903 95 1HG MET 13 2HG MET 13 2.345 -6.007 4.423 96 2HG MET 13 1HG MET 13 3.184 -5.771 2.891 97 1HE MET 13 1HE MET 13 2.419 -2.891 5.951 98 2HE MET 13 2HE MET 13 3.679 -3.735 6.848 99 3HE MET 13 3HE MET 13 2.276 -4.621 6.249 100 H TYR 14 H TYR 14 0.077 -2.083 1.061 101 HA TYR 14 HA TYR 14 -1.290 -3.970 -0.548 102 1HB TYR 14 2HB TYR 14 -3.047 -2.495 -0.571 103 2HB TYR 14 1HB TYR 14 -2.145 -1.628 0.669 104 HD1 TYR 14 1HD TYR 14 -3.896 -1.106 -2.234 105 HD2 TYR 14 2HD TYR 14 -0.126 -0.200 -0.495 106 HE1 TYR 14 1HE TYR 14 -3.666 0.819 -3.754 107 HE2 TYR 14 2HE TYR 14 0.135 1.702 -2.011 108 HH TYR 14 HH TYR 14 -0.784 2.903 -3.661 109 H ARG 15 H ARG 15 1.169 -1.702 -0.648 110 HA ARG 15 HA ARG 15 1.368 -1.200 -3.435 111 1HB ARG 15 2HB ARG 15 2.752 -0.554 -0.980 112 2HB ARG 15 1HB ARG 15 3.901 -1.000 -2.213 113 1HG ARG 15 2HG ARG 15 3.107 0.736 -3.649 114 2HG ARG 15 1HG ARG 15 1.809 1.121 -2.521 115 1HD ARG 15 2HD ARG 15 4.193 1.148 -1.029 116 2HD ARG 15 1HD ARG 15 4.545 2.008 -2.521 117 HE ARG 15 HE ARG 15 3.541 3.748 -1.456 118 1HH1 ARG 15 1HH1 ARG 15 1.556 0.914 -0.861 119 2HH1 ARG 15 2HH1 ARG 15 0.407 1.784 0.086 120 1HH2 ARG 15 1HH2 ARG 15 2.036 4.850 -0.172 121 2HH2 ARG 15 2HH2 ARG 15 0.686 3.994 0.492 122 H TYR 16 H TYR 16 2.152 -3.744 -1.264 123 HA TYR 16 HA TYR 16 4.121 -5.039 -2.897 124 1HB TYR 16 2HB TYR 16 2.389 -5.795 -0.581 125 2HB TYR 16 1HB TYR 16 3.695 -6.811 -1.182 126 HD1 TYR 16 1HD TYR 16 3.451 -3.108 -0.430 127 HD2 TYR 16 2HD TYR 16 5.315 -6.870 0.298 128 HE1 TYR 16 1HE TYR 16 5.154 -1.994 0.956 129 HE2 TYR 16 2HE TYR 16 6.991 -5.762 1.737 130 HH TYR 16 HH TYR 16 7.281 -3.724 3.012 131 HA PRO 17 HA PRO 17 1.025 -7.897 -4.796 132 1HB PRO 17 2HB PRO 17 -0.815 -9.004 -3.149 133 2HB PRO 17 1HB PRO 17 0.646 -9.843 -3.706 134 1HG PRO 17 2HG PRO 17 0.018 -8.708 -1.064 135 2HG PRO 17 1HG PRO 17 1.240 -9.909 -1.502 136 1HD PRO 17 2HD PRO 17 1.756 -7.286 -0.843 137 2HD PRO 17 1HD PRO 17 2.850 -8.319 -1.740 138 H ASN 18 H ASN 18 0.400 -5.618 -4.928 139 HA ASN 18 HA ASN 18 -1.816 -4.489 -3.779 140 1HB ASN 18 2HB ASN 18 -0.527 -4.174 -6.463 141 2HB ASN 18 1HB ASN 18 -2.041 -3.345 -6.113 142 1HD2 ASN 18 1HD2 ASN 18 -2.023 -1.581 -4.835 143 2HD2 ASN 18 2HD2 ASN 18 -0.594 -0.859 -4.162 144 H GLN 19 H GLN 19 -3.664 -5.247 -3.640 145 HA GLN 19 HA GLN 19 -4.938 -7.350 -4.251 146 1HB GLN 19 2HB GLN 19 -7.029 -6.188 -4.065 147 2HB GLN 19 1HB GLN 19 -5.832 -5.330 -3.096 148 1HG GLN 19 2HG GLN 19 -6.371 -4.552 -5.947 149 2HG GLN 19 1HG GLN 19 -7.367 -3.944 -4.633 150 1HE2 GLN 19 1HE2 GLN 19 -4.285 -3.715 -6.262 151 2HE2 GLN 19 2HE2 GLN 19 -3.683 -2.395 -5.323 152 H VAL 20 H VAL 20 -3.806 -5.796 -6.854 153 HA VAL 20 HA VAL 20 -5.106 -7.423 -8.731 154 HB VAL 20 HB VAL 20 -7.037 -6.142 -8.613 155 1HG1 VAL 20 1HG1 VAL 20 -5.967 -3.474 -9.079 156 2HG1 VAL 20 2HG1 VAL 20 -5.462 -4.162 -7.540 157 3HG1 VAL 20 3HG1 VAL 20 -7.176 -4.003 -7.910 158 1HG2 VAL 20 1HG2 VAL 20 -5.578 -4.728 -10.786 159 2HG2 VAL 20 2HG2 VAL 20 -7.275 -5.206 -10.735 160 3HG2 VAL 20 3HG2 VAL 20 -6.018 -6.432 -10.894 161 H TYR 21 H TYR 21 -3.470 -4.550 -7.896 162 HA TYR 21 HA TYR 21 -2.339 -3.837 -10.378 163 1HB TYR 21 2HB TYR 21 -1.251 -3.840 -7.563 164 2HB TYR 21 1HB TYR 21 -0.466 -3.018 -8.851 165 HD1 TYR 21 1HD TYR 21 -0.615 -1.345 -6.950 166 HD2 TYR 21 2HD TYR 21 -3.926 -2.692 -9.260 167 HE1 TYR 21 1HE TYR 21 -1.909 0.668 -6.253 168 HE2 TYR 21 2HE TYR 21 -5.229 -0.683 -8.592 169 HH TYR 21 HH TYR 21 -4.191 1.428 -6.082 170 H TYR 22 H TYR 22 -2.016 -6.706 -8.553 171 HA TYR 22 HA TYR 22 -0.399 -8.324 -8.574 172 1HB TYR 22 2HB TYR 22 0.473 -7.890 -11.312 173 2HB TYR 22 1HB TYR 22 -0.563 -9.172 -10.694 174 HD1 TYR 22 1HD TYR 22 -2.894 -9.222 -11.354 175 HD2 TYR 22 2HD TYR 22 -0.708 -5.592 -11.831 176 HE1 TYR 22 1HE TYR 22 -4.749 -8.255 -12.627 177 HE2 TYR 22 2HE TYR 22 -2.552 -4.608 -13.025 178 HH TYR 22 HH TYR 22 -4.794 -6.139 -14.528 179 H ARG 23 H ARG 23 0.063 -5.363 -8.213 180 HA ARG 23 HA ARG 23 1.787 -4.225 -7.220 181 1HB ARG 23 2HB ARG 23 3.315 -6.182 -7.329 182 2HB ARG 23 1HB ARG 23 3.676 -5.775 -9.006 183 1HG ARG 23 2HG ARG 23 4.317 -3.462 -8.056 184 2HG ARG 23 1HG ARG 23 4.412 -4.313 -6.512 185 1HD ARG 23 2HD ARG 23 6.312 -5.373 -7.079 186 2HD ARG 23 1HD ARG 23 5.758 -5.683 -8.724 187 HE ARG 23 HE ARG 23 6.427 -2.939 -8.285 188 1HH1 ARG 23 1HH1 ARG 23 7.740 -6.084 -9.027 189 2HH1 ARG 23 2HH1 ARG 23 9.139 -5.451 -9.824 190 1HH2 ARG 23 1HH2 ARG 23 8.259 -2.101 -9.339 191 2HH2 ARG 23 2HH2 ARG 23 9.433 -3.185 -10.005 192 HA PRO 24 HA PRO 24 3.210 -2.248 -11.511 193 1HB PRO 24 2HB PRO 24 1.713 -3.094 -13.641 194 2HB PRO 24 1HB PRO 24 3.300 -3.770 -13.222 195 1HG PRO 24 2HG PRO 24 0.570 -4.728 -12.403 196 2HG PRO 24 1HG PRO 24 1.863 -5.660 -13.187 197 1HD PRO 24 2HD PRO 24 1.622 -5.874 -10.623 198 2HD PRO 24 1HD PRO 24 3.245 -5.537 -11.245 199 H VAL 25 H VAL 25 -0.149 -3.115 -10.726 200 HA VAL 25 HA VAL 25 -2.062 -1.927 -10.752 201 HB VAL 25 HB VAL 25 -0.828 -0.393 -9.259 202 1HG1 VAL 25 1HG1 VAL 25 -0.096 1.816 -10.338 203 2HG1 VAL 25 2HG1 VAL 25 0.001 0.884 -11.829 204 3HG1 VAL 25 3HG1 VAL 25 0.989 0.430 -10.438 205 1HG2 VAL 25 1HG2 VAL 25 -2.420 1.405 -11.003 206 2HG2 VAL 25 2HG2 VAL 25 -2.455 1.213 -9.251 207 3HG2 VAL 25 3HG2 VAL 25 -3.215 0.005 -10.288 208 H CYS 26 H CYS 26 -0.559 -2.532 -13.236 209 HA CYS 26 HA CYS 26 -2.311 -1.111 -15.028 210 1HB CYS 26 2HB CYS 26 -0.451 -0.274 -16.473 211 2HB CYS 26 1HB CYS 26 -0.562 0.535 -14.915 212 HG CYS 26 HG CYS 26 1.819 -1.005 -15.925 Start of MODEL 12 1 1H GLY 1 1HT GLY 1 5.859 11.337 12.532 2 2H GLY 1 2HT GLY 1 6.212 11.204 10.883 3 3H GLY 1 3HT GLY 1 5.033 10.210 11.577 4 1HA GLY 1 1HA GLY 1 4.723 13.131 11.698 5 2HA GLY 1 2HA GLY 1 4.320 12.279 10.215 6 H ASN 2 H ASN 2 2.927 10.224 10.668 7 HA ASN 2 HA ASN 2 1.138 10.437 12.914 8 1HB ASN 2 2HB ASN 2 -0.136 10.699 10.206 9 2HB ASN 2 1HB ASN 2 -0.860 10.941 11.790 10 1HD2 ASN 2 1HD2 ASN 2 0.986 12.345 9.248 11 2HD2 ASN 2 2HD2 ASN 2 1.041 13.951 9.883 12 H ASP 3 H ASP 3 0.592 8.498 13.491 13 HA ASP 3 HA ASP 3 1.374 6.163 12.180 14 1HB ASP 3 2HB ASP 3 0.000 6.893 14.609 15 2HB ASP 3 1HB ASP 3 -0.676 5.424 13.912 16 H TYR 4 H TYR 4 -1.242 8.081 11.399 17 HA TYR 4 HA TYR 4 -2.951 5.936 10.449 18 1HB TYR 4 2HB TYR 4 -4.551 7.703 9.847 19 2HB TYR 4 1HB TYR 4 -4.096 7.786 11.541 20 HD1 TYR 4 1HD TYR 4 -3.684 9.859 12.422 21 HD2 TYR 4 2HD TYR 4 -3.049 9.262 8.260 22 HE1 TYR 4 1HE TYR 4 -3.174 12.248 12.165 23 HE2 TYR 4 2HE TYR 4 -2.528 11.650 7.991 24 HH TYR 4 HH TYR 4 -1.648 13.611 10.221 25 H GLU 5 H GLU 5 -0.827 8.409 9.389 26 HA GLU 5 HA GLU 5 -1.250 7.999 6.624 27 1HB GLU 5 2HB GLU 5 -0.389 10.191 7.857 28 2HB GLU 5 1HB GLU 5 1.172 9.398 7.680 29 1HG GLU 5 2HG GLU 5 1.136 10.635 5.772 30 2HG GLU 5 1HG GLU 5 0.394 9.147 5.185 31 H ASP 6 H ASP 6 0.789 7.337 9.239 32 HA ASP 6 HA ASP 6 2.824 5.870 8.063 33 1HB ASP 6 2HB ASP 6 2.079 6.733 10.592 34 2HB ASP 6 1HB ASP 6 1.971 4.983 10.706 35 H ARG 7 H ARG 7 -0.105 4.882 9.776 36 HA ARG 7 HA ARG 7 0.075 2.166 8.864 37 1HB ARG 7 2HB ARG 7 -1.870 3.703 10.517 38 2HB ARG 7 1HB ARG 7 -2.476 2.284 9.683 39 1HG ARG 7 2HG ARG 7 -0.076 2.257 11.498 40 2HG ARG 7 1HG ARG 7 -1.718 1.865 12.014 41 1HD ARG 7 2HD ARG 7 -1.711 0.158 10.114 42 2HD ARG 7 1HD ARG 7 0.034 0.399 10.064 43 HE ARG 7 HE ARG 7 -0.219 -0.184 12.599 44 1HH1 ARG 7 1HH1 ARG 7 -1.871 -1.667 9.898 45 2HH1 ARG 7 2HH1 ARG 7 -2.090 -3.181 10.706 46 1HH2 ARG 7 1HH2 ARG 7 -0.503 -2.182 13.654 47 2HH2 ARG 7 2HH2 ARG 7 -1.312 -3.475 12.833 48 H TYR 8 H TYR 8 -1.187 5.124 7.642 49 HA TYR 8 HA TYR 8 -3.207 4.286 5.881 50 1HB TYR 8 2HB TYR 8 -2.861 6.576 5.557 51 2HB TYR 8 1HB TYR 8 -1.180 6.451 5.950 52 HD1 TYR 8 1HD TYR 8 -3.300 5.090 3.217 53 HD2 TYR 8 2HD TYR 8 0.335 7.032 4.171 54 HE1 TYR 8 1HE TYR 8 -2.755 5.212 0.835 55 HE2 TYR 8 2HE TYR 8 0.890 7.171 1.809 56 HH TYR 8 HH TYR 8 -1.239 6.768 -0.630 57 H TYR 9 H TYR 9 0.140 4.794 5.721 58 HA TYR 9 HA TYR 9 0.338 3.666 3.239 59 1HB TYR 9 2HB TYR 9 1.796 5.484 3.785 60 2HB TYR 9 1HB TYR 9 2.449 4.582 5.169 61 HD1 TYR 9 1HD TYR 9 2.003 4.610 1.622 62 HD2 TYR 9 2HD TYR 9 4.128 2.944 4.900 63 HE1 TYR 9 1HE TYR 9 3.474 3.395 0.017 64 HE2 TYR 9 2HE TYR 9 5.682 1.795 3.326 65 HH TYR 9 HH TYR 9 5.005 1.246 0.184 66 H ARG 10 H ARG 10 1.094 2.607 6.473 67 HA ARG 10 HA ARG 10 2.686 0.419 5.726 68 1HB ARG 10 2HB ARG 10 2.338 1.366 7.977 69 2HB ARG 10 1HB ARG 10 0.765 0.554 8.057 70 1HG ARG 10 2HG ARG 10 3.448 -0.809 7.772 71 2HG ARG 10 1HG ARG 10 2.536 -0.654 9.269 72 1HD ARG 10 2HD ARG 10 0.920 -2.164 8.599 73 2HD ARG 10 1HD ARG 10 1.271 -1.942 6.893 74 HE ARG 10 HE ARG 10 2.392 -3.888 8.558 75 1HH1 ARG 10 1HH1 ARG 10 3.336 -1.632 6.061 76 2HH1 ARG 10 2HH1 ARG 10 4.709 -2.562 5.567 77 1HH2 ARG 10 1HH2 ARG 10 4.184 -5.119 7.898 78 2HH2 ARG 10 2HH2 ARG 10 5.185 -4.552 6.603 79 H GLU 11 H GLU 11 -0.611 1.202 5.504 80 HA GLU 11 HA GLU 11 -1.735 -1.333 4.844 81 1HB GLU 11 2HB GLU 11 -2.887 0.921 5.426 82 2HB GLU 11 1HB GLU 11 -2.651 1.280 3.719 83 1HG GLU 11 2HG GLU 11 -4.026 -0.462 3.026 84 2HG GLU 11 1HG GLU 11 -3.972 -1.251 4.599 85 H ASN 12 H ASN 12 0.786 0.058 3.407 86 HA ASN 12 HA ASN 12 0.157 0.138 0.678 87 1HB ASN 12 2HB ASN 12 2.560 0.067 0.312 88 2HB ASN 12 1HB ASN 12 2.167 1.226 1.573 89 1HD2 ASN 12 1HD2 ASN 12 4.530 -0.558 0.820 90 2HD2 ASN 12 2HD2 ASN 12 4.996 -1.263 2.332 91 H MET 13 H MET 13 0.111 -2.346 2.873 92 HA MET 13 HA MET 13 1.136 -4.289 1.137 93 1HB MET 13 2HB MET 13 0.304 -4.248 3.849 94 2HB MET 13 1HB MET 13 -0.688 -5.442 3.024 95 1HG MET 13 2HG MET 13 0.960 -6.893 3.221 96 2HG MET 13 1HG MET 13 1.934 -5.888 2.150 97 1HE MET 13 1HE MET 13 4.306 -3.999 4.401 98 2HE MET 13 2HE MET 13 3.002 -3.526 3.313 99 3HE MET 13 3HE MET 13 4.118 -4.808 2.846 100 H TYR 14 H TYR 14 -1.660 -2.486 1.482 101 HA TYR 14 HA TYR 14 -3.243 -4.352 0.070 102 1HB TYR 14 2HB TYR 14 -5.055 -2.986 0.501 103 2HB TYR 14 1HB TYR 14 -3.963 -2.277 1.688 104 HD1 TYR 14 1HD TYR 14 -6.304 -1.322 -0.529 105 HD2 TYR 14 2HD TYR 14 -2.181 -0.630 0.252 106 HE1 TYR 14 1HE TYR 14 -6.447 0.822 -1.728 107 HE2 TYR 14 2HE TYR 14 -2.302 1.496 -0.966 108 HH TYR 14 HH TYR 14 -5.100 2.427 -2.800 109 H ARG 15 H ARG 15 -0.977 -2.066 -0.417 110 HA ARG 15 HA ARG 15 -1.461 -1.321 -3.100 111 1HB ARG 15 2HB ARG 15 0.255 -0.588 -0.943 112 2HB ARG 15 1HB ARG 15 1.244 -0.951 -2.334 113 1HG ARG 15 2HG ARG 15 -0.071 0.671 -3.627 114 2HG ARG 15 1HG ARG 15 -0.968 1.061 -2.158 115 1HD ARG 15 2HD ARG 15 0.657 2.406 -1.446 116 2HD ARG 15 1HD ARG 15 1.854 1.124 -1.634 117 HE ARG 15 HE ARG 15 1.586 3.367 -3.283 118 1HH1 ARG 15 1HH1 ARG 15 2.007 -0.087 -3.554 119 2HH1 ARG 15 2HH1 ARG 15 2.830 0.001 -5.067 120 1HH2 ARG 15 1HH2 ARG 15 2.691 3.493 -5.267 121 2HH2 ARG 15 2HH2 ARG 15 3.234 2.040 -6.039 122 H TYR 16 H TYR 16 -0.124 -3.930 -1.328 123 HA TYR 16 HA TYR 16 1.751 -4.849 -3.247 124 1HB TYR 16 2HB TYR 16 0.594 -5.784 -0.668 125 2HB TYR 16 1HB TYR 16 1.733 -6.783 -1.574 126 HD1 TYR 16 1HD TYR 16 1.447 -3.161 -0.743 127 HD2 TYR 16 2HD TYR 16 3.693 -6.749 -0.633 128 HE1 TYR 16 1HE TYR 16 3.359 -1.913 0.196 129 HE2 TYR 16 2HE TYR 16 5.602 -5.539 0.361 130 HH TYR 16 HH TYR 16 6.479 -3.180 0.398 131 HA PRO 17 HA PRO 17 -0.780 -8.661 -4.518 132 1HB PRO 17 2HB PRO 17 -3.015 -8.664 -2.733 133 2HB PRO 17 1HB PRO 17 -1.951 -10.015 -3.164 134 1HG PRO 17 2HG PRO 17 -1.930 -8.422 -0.772 135 2HG PRO 17 1HG PRO 17 -0.889 -9.794 -1.178 136 1HD PRO 17 2HD PRO 17 -0.041 -7.203 -0.934 137 2HD PRO 17 1HD PRO 17 0.811 -8.435 -1.835 138 H ASN 18 H ASN 18 -1.450 -5.776 -4.751 139 HA ASN 18 HA ASN 18 -4.130 -5.299 -4.876 140 1HB ASN 18 2HB ASN 18 -1.720 -4.256 -6.222 141 2HB ASN 18 1HB ASN 18 -3.258 -3.895 -6.990 142 1HD2 ASN 18 1HD2 ASN 18 -1.113 -2.467 -5.507 143 2HD2 ASN 18 2HD2 ASN 18 -1.965 -1.445 -4.402 144 H GLN 19 H GLN 19 -5.582 -6.213 -5.908 145 HA GLN 19 HA GLN 19 -5.850 -8.373 -7.216 146 1HB GLN 19 2HB GLN 19 -7.796 -7.509 -8.355 147 2HB GLN 19 1HB GLN 19 -7.621 -6.687 -6.804 148 1HG GLN 19 2HG GLN 19 -6.455 -5.542 -9.330 149 2HG GLN 19 1HG GLN 19 -8.125 -5.245 -8.870 150 1HE2 GLN 19 1HE2 GLN 19 -4.772 -4.407 -8.270 151 2HE2 GLN 19 2HE2 GLN 19 -5.111 -3.218 -7.059 152 H VAL 20 H VAL 20 -3.793 -6.242 -8.587 153 HA VAL 20 HA VAL 20 -3.343 -7.775 -10.891 154 HB VAL 20 HB VAL 20 -5.253 -6.802 -11.859 155 1HG1 VAL 20 1HG1 VAL 20 -4.468 -3.990 -11.607 156 2HG1 VAL 20 2HG1 VAL 20 -4.895 -4.754 -10.080 157 3HG1 VAL 20 3HG1 VAL 20 -6.056 -4.729 -11.404 158 1HG2 VAL 20 1HG2 VAL 20 -3.246 -4.919 -12.923 159 2HG2 VAL 20 2HG2 VAL 20 -4.356 -5.987 -13.782 160 3HG2 VAL 20 3HG2 VAL 20 -2.906 -6.645 -13.021 161 H TYR 21 H TYR 21 -2.987 -4.911 -9.026 162 HA TYR 21 HA TYR 21 -0.858 -3.752 -10.513 163 1HB TYR 21 2HB TYR 21 -1.430 -3.861 -7.555 164 2HB TYR 21 1HB TYR 21 -0.310 -2.780 -8.267 165 HD1 TYR 21 1HD TYR 21 -1.795 -1.400 -6.707 166 HD2 TYR 21 2HD TYR 21 -3.001 -3.005 -10.450 167 HE1 TYR 21 1HE TYR 21 -3.644 0.265 -6.810 168 HE2 TYR 21 2HE TYR 21 -4.841 -1.345 -10.592 169 HH TYR 21 HH TYR 21 -5.235 1.181 -8.131 170 H TYR 22 H TYR 22 -1.133 -6.701 -8.866 171 HA TYR 22 HA TYR 22 0.439 -8.070 -7.951 172 1HB TYR 22 2HB TYR 22 2.587 -7.446 -9.781 173 2HB TYR 22 1HB TYR 22 1.493 -8.822 -9.836 174 HD1 TYR 22 1HD TYR 22 0.087 -9.054 -11.769 175 HD2 TYR 22 2HD TYR 22 1.554 -5.178 -10.781 176 HE1 TYR 22 1HE TYR 22 -0.817 -8.162 -13.866 177 HE2 TYR 22 2HE TYR 22 0.610 -4.279 -12.809 178 HH TYR 22 HH TYR 22 -0.070 -5.000 -15.006 179 H ARG 23 H ARG 23 0.234 -5.132 -7.457 180 HA ARG 23 HA ARG 23 0.937 -3.827 -5.747 181 1HB ARG 23 2HB ARG 23 2.495 -5.496 -4.838 182 2HB ARG 23 1HB ARG 23 3.681 -5.062 -6.065 183 1HG ARG 23 2HG ARG 23 3.537 -2.696 -5.148 184 2HG ARG 23 1HG ARG 23 2.682 -3.397 -3.776 185 1HD ARG 23 2HD ARG 23 4.547 -4.385 -2.945 186 2HD ARG 23 1HD ARG 23 5.206 -4.726 -4.545 187 HE ARG 23 HE ARG 23 5.448 -2.047 -4.357 188 1HH1 ARG 23 1HH1 ARG 23 6.394 -4.662 -2.245 189 2HH1 ARG 23 2HH1 ARG 23 7.748 -3.807 -1.588 190 1HH2 ARG 23 1HH2 ARG 23 7.233 -0.923 -3.492 191 2HH2 ARG 23 2HH2 ARG 23 8.226 -1.689 -2.298 192 HA PRO 24 HA PRO 24 4.216 -1.444 -8.553 193 1HB PRO 24 2HB PRO 24 4.098 -2.244 -11.176 194 2HB PRO 24 1HB PRO 24 5.337 -2.784 -10.032 195 1HG PRO 24 2HG PRO 24 2.727 -4.103 -10.733 196 2HG PRO 24 1HG PRO 24 4.354 -4.816 -10.749 197 1HD PRO 24 2HD PRO 24 2.874 -5.262 -8.674 198 2HD PRO 24 1HD PRO 24 4.523 -4.697 -8.371 199 H VAL 25 H VAL 25 1.095 -2.722 -9.705 200 HA VAL 25 HA VAL 25 -0.670 -1.734 -10.680 201 HB VAL 25 HB VAL 25 -0.615 -0.369 -8.581 202 1HG1 VAL 25 1HG1 VAL 25 0.990 1.479 -10.308 203 2HG1 VAL 25 2HG1 VAL 25 1.320 0.921 -8.665 204 3HG1 VAL 25 3HG1 VAL 25 0.023 2.079 -8.959 205 1HG2 VAL 25 1HG2 VAL 25 -1.576 1.431 -10.742 206 2HG2 VAL 25 2HG2 VAL 25 -2.372 0.933 -9.252 207 3HG2 VAL 25 3HG2 VAL 25 -2.269 -0.183 -10.613 208 H CYS 26 H CYS 26 1.919 -1.844 -12.008 209 HA CYS 26 HA CYS 26 2.829 -1.281 -14.011 210 1HB CYS 26 2HB CYS 26 0.101 -1.130 -14.383 211 2HB CYS 26 1HB CYS 26 0.657 0.434 -14.963 212 HG CYS 26 HG CYS 26 2.379 -1.468 -16.328 Start of MODEL 13 1 1H GLY 1 1HT GLY 1 -5.037 10.277 10.950 2 2H GLY 1 2HT GLY 1 -5.999 11.347 11.839 3 3H GLY 1 3HT GLY 1 -5.280 10.022 12.605 4 1HA GLY 1 1HA GLY 1 -3.930 12.421 11.503 5 2HA GLY 1 2HA GLY 1 -4.021 11.936 13.190 6 H ASN 2 H ASN 2 -2.319 11.651 10.245 7 HA ASN 2 HA ASN 2 -0.262 10.815 9.771 8 1HB ASN 2 2HB ASN 2 -0.278 10.859 12.651 9 2HB ASN 2 1HB ASN 2 0.630 9.474 12.058 10 1HD2 ASN 2 1HD2 ASN 2 1.885 10.272 9.900 11 2HD2 ASN 2 2HD2 ASN 2 2.917 11.622 10.209 12 H ASP 3 H ASP 3 -2.551 8.749 11.430 13 HA ASP 3 HA ASP 3 -1.461 6.238 10.903 14 1HB ASP 3 2HB ASP 3 -4.123 7.319 11.566 15 2HB ASP 3 1HB ASP 3 -4.093 5.712 10.847 16 H TYR 4 H TYR 4 -2.467 8.453 8.677 17 HA TYR 4 HA TYR 4 -3.439 6.596 6.670 18 1HB TYR 4 2HB TYR 4 -3.680 8.657 5.252 19 2HB TYR 4 1HB TYR 4 -4.641 8.683 6.725 20 HD1 TYR 4 1HD TYR 4 -4.612 10.581 8.024 21 HD2 TYR 4 2HD TYR 4 -1.308 9.817 5.459 22 HE1 TYR 4 1HE TYR 4 -3.636 12.746 8.646 23 HE2 TYR 4 2HE TYR 4 -0.319 11.978 6.085 24 HH TYR 4 HH TYR 4 -1.501 13.854 8.691 25 H GLU 5 H GLU 5 -0.739 8.528 7.563 26 HA GLU 5 HA GLU 5 0.792 7.977 5.241 27 1HB GLU 5 2HB GLU 5 0.940 10.062 6.910 28 2HB GLU 5 1HB GLU 5 2.062 8.990 7.739 29 1HG GLU 5 2HG GLU 5 3.657 9.633 6.357 30 2HG GLU 5 1HG GLU 5 2.758 8.920 5.017 31 H ASP 6 H ASP 6 0.345 7.196 8.500 32 HA ASP 6 HA ASP 6 2.316 5.307 8.944 33 1HB ASP 6 2HB ASP 6 0.193 6.488 10.307 34 2HB ASP 6 1HB ASP 6 -0.234 4.786 10.239 35 H ARG 7 H ARG 7 -1.110 4.976 8.159 36 HA ARG 7 HA ARG 7 -0.833 2.212 7.418 37 1HB ARG 7 2HB ARG 7 -2.967 3.469 8.303 38 2HB ARG 7 1HB ARG 7 -3.209 3.847 6.602 39 1HG ARG 7 2HG ARG 7 -4.362 1.920 6.617 40 2HG ARG 7 1HG ARG 7 -2.763 1.191 6.451 41 1HD ARG 7 2HD ARG 7 -2.756 0.401 8.573 42 2HD ARG 7 1HD ARG 7 -3.631 1.794 9.205 43 HE ARG 7 HE ARG 7 -5.403 0.314 7.643 44 1HH1 ARG 7 1HH1 ARG 7 -3.595 -0.041 10.610 45 2HH1 ARG 7 2HH1 ARG 7 -4.744 -1.121 11.327 46 1HH2 ARG 7 1HH2 ARG 7 -6.917 -1.103 8.588 47 2HH2 ARG 7 2HH2 ARG 7 -6.631 -1.722 10.181 48 H TYR 8 H TYR 8 -0.349 5.233 5.887 49 HA TYR 8 HA TYR 8 -0.882 4.701 3.186 50 1HB TYR 8 2HB TYR 8 0.073 6.814 3.330 51 2HB TYR 8 1HB TYR 8 1.049 6.375 4.693 52 HD1 TYR 8 1HD TYR 8 0.875 5.381 1.132 53 HD2 TYR 8 2HD TYR 8 3.442 6.373 4.337 54 HE1 TYR 8 1HE TYR 8 2.789 5.246 -0.381 55 HE2 TYR 8 2HE TYR 8 5.362 6.246 2.851 56 HH TYR 8 HH TYR 8 5.868 4.963 0.626 57 H TYR 9 H TYR 9 1.817 4.433 5.245 58 HA TYR 9 HA TYR 9 3.227 3.071 3.342 59 1HB TYR 9 2HB TYR 9 4.445 4.485 4.857 60 2HB TYR 9 1HB TYR 9 3.856 3.543 6.245 61 HD1 TYR 9 1HD TYR 9 5.636 3.383 3.143 62 HD2 TYR 9 2HD TYR 9 4.905 1.514 6.890 63 HE1 TYR 9 1HE TYR 9 7.387 1.689 2.616 64 HE2 TYR 9 2HE TYR 9 6.717 -0.130 6.438 65 HH TYR 9 HH TYR 9 8.972 0.215 4.004 66 H ARG 10 H ARG 10 1.540 2.145 6.269 67 HA ARG 10 HA ARG 10 2.647 -0.444 6.369 68 1HB ARG 10 2HB ARG 10 1.436 0.400 8.206 69 2HB ARG 10 1HB ARG 10 -0.051 0.558 7.258 70 1HG ARG 10 2HG ARG 10 -0.619 -1.580 7.597 71 2HG ARG 10 1HG ARG 10 1.009 -2.153 7.232 72 1HD ARG 10 2HD ARG 10 1.729 -1.850 9.446 73 2HD ARG 10 1HD ARG 10 0.349 -0.828 9.843 74 HE ARG 10 HE ARG 10 -0.831 -2.710 10.348 75 1HH1 ARG 10 1HH1 ARG 10 1.863 -3.612 8.325 76 2HH1 ARG 10 2HH1 ARG 10 1.562 -5.311 8.465 77 1HH2 ARG 10 1HH2 ARG 10 -1.233 -4.942 10.535 78 2HH2 ARG 10 2HH2 ARG 10 -0.199 -6.069 9.721 79 H GLU 11 H GLU 11 0.528 1.180 4.317 80 HA GLU 11 HA GLU 11 -0.633 -1.012 2.929 81 1HB GLU 11 2HB GLU 11 -1.352 1.435 2.875 82 2HB GLU 11 1HB GLU 11 0.000 1.674 1.772 83 1HG GLU 11 2HG GLU 11 -0.904 0.289 0.151 84 2HG GLU 11 1HG GLU 11 -2.048 -0.436 1.273 85 H ASN 12 H ASN 12 2.511 -0.528 3.355 86 HA ASN 12 HA ASN 12 3.654 -0.522 0.784 87 1HB ASN 12 2HB ASN 12 5.677 -1.099 1.834 88 2HB ASN 12 1HB ASN 12 4.846 -0.119 3.029 89 1HD2 ASN 12 1HD2 ASN 12 3.253 -1.691 4.379 90 2HD2 ASN 12 2HD2 ASN 12 4.078 -3.034 5.073 91 H MET 13 H MET 13 1.726 -2.731 2.445 92 HA MET 13 HA MET 13 2.885 -4.955 1.177 93 1HB MET 13 2HB MET 13 0.838 -6.205 1.944 94 2HB MET 13 1HB MET 13 1.749 -5.453 3.245 95 1HG MET 13 2HG MET 13 -0.477 -5.012 3.751 96 2HG MET 13 1HG MET 13 0.117 -3.511 3.047 97 1HE MET 13 1HE MET 13 -1.522 -2.356 2.423 98 2HE MET 13 2HE MET 13 -3.114 -3.107 2.470 99 3HE MET 13 3HE MET 13 -2.449 -2.540 0.937 100 H TYR 14 H TYR 14 0.921 -2.432 0.399 101 HA TYR 14 HA TYR 14 -0.310 -3.806 -1.723 102 1HB TYR 14 2HB TYR 14 -1.758 -2.022 -1.898 103 2HB TYR 14 1HB TYR 14 -1.056 -1.519 -0.368 104 HD1 TYR 14 1HD TYR 14 -2.162 -0.001 -3.092 105 HD2 TYR 14 2HD TYR 14 1.537 -0.646 -1.162 106 HE1 TYR 14 1HE TYR 14 -1.262 2.032 -4.162 107 HE2 TYR 14 2HE TYR 14 2.485 1.345 -2.200 108 HH TYR 14 HH TYR 14 0.483 3.612 -3.947 109 H ARG 15 H ARG 15 2.517 -2.357 -0.982 110 HA ARG 15 HA ARG 15 3.411 -1.581 -3.576 111 1HB ARG 15 2HB ARG 15 4.413 -1.576 -0.831 112 2HB ARG 15 1HB ARG 15 5.644 -2.036 -1.980 113 1HG ARG 15 2HG ARG 15 5.499 0.019 -3.105 114 2HG ARG 15 1HG ARG 15 3.993 0.439 -2.297 115 1HD ARG 15 2HD ARG 15 5.975 -0.129 -0.329 116 2HD ARG 15 1HD ARG 15 6.646 1.007 -1.489 117 HE ARG 15 HE ARG 15 5.545 2.509 -0.185 118 1HH1 ARG 15 1HH1 ARG 15 3.207 -0.051 -0.917 119 2HH1 ARG 15 2HH1 ARG 15 1.951 0.728 -0.023 120 1HH2 ARG 15 1HH2 ARG 15 3.887 3.422 1.000 121 2HH2 ARG 15 2HH2 ARG 15 2.332 2.669 1.060 122 H TYR 16 H TYR 16 3.162 -4.341 -1.552 123 HA TYR 16 HA TYR 16 4.988 -6.043 -2.967 124 1HB TYR 16 2HB TYR 16 2.700 -6.566 -1.065 125 2HB TYR 16 1HB TYR 16 3.932 -7.732 -1.513 126 HD1 TYR 16 1HD TYR 16 4.276 -4.117 -0.454 127 HD2 TYR 16 2HD TYR 16 5.159 -8.229 0.290 128 HE1 TYR 16 1HE TYR 16 5.851 -3.467 1.311 129 HE2 TYR 16 2HE TYR 16 6.676 -7.564 2.098 130 HH TYR 16 HH TYR 16 8.116 -5.421 2.610 131 HA PRO 17 HA PRO 17 1.784 -7.620 -5.718 132 1HB PRO 17 2HB PRO 17 0.638 -9.876 -4.853 133 2HB PRO 17 1HB PRO 17 2.212 -9.837 -5.682 134 1HG PRO 17 2HG PRO 17 1.638 -10.479 -2.904 135 2HG PRO 17 1HG PRO 17 3.177 -10.601 -3.769 136 1HD PRO 17 2HD PRO 17 2.309 -8.567 -1.897 137 2HD PRO 17 1HD PRO 17 3.898 -8.768 -2.652 138 H ASN 18 H ASN 18 0.358 -5.984 -5.190 139 HA ASN 18 HA ASN 18 -1.808 -6.305 -3.419 140 1HB ASN 18 2HB ASN 18 -1.136 -4.483 -5.670 141 2HB ASN 18 1HB ASN 18 -2.819 -4.582 -5.173 142 1HD2 ASN 18 1HD2 ASN 18 -0.628 -2.564 -5.090 143 2HD2 ASN 18 2HD2 ASN 18 -0.580 -1.980 -3.455 144 H GLN 19 H GLN 19 -3.409 -7.598 -3.681 145 HA GLN 19 HA GLN 19 -3.873 -9.658 -5.101 146 1HB GLN 19 2HB GLN 19 -6.248 -9.436 -4.784 147 2HB GLN 19 1HB GLN 19 -5.419 -8.678 -3.425 148 1HG GLN 19 2HG GLN 19 -6.227 -7.070 -5.826 149 2HG GLN 19 1HG GLN 19 -7.376 -7.410 -4.539 150 1HE2 GLN 19 1HE2 GLN 19 -4.738 -5.436 -5.564 151 2HE2 GLN 19 2HE2 GLN 19 -4.585 -4.527 -4.102 152 H VAL 20 H VAL 20 -3.661 -6.828 -6.768 153 HA VAL 20 HA VAL 20 -4.140 -8.007 -9.269 154 HB VAL 20 HB VAL 20 -6.435 -7.820 -8.912 155 1HG1 VAL 20 1HG1 VAL 20 -6.873 -5.055 -8.394 156 2HG1 VAL 20 2HG1 VAL 20 -5.713 -5.666 -7.217 157 3HG1 VAL 20 3HG1 VAL 20 -7.293 -6.431 -7.375 158 1HG2 VAL 20 1HG2 VAL 20 -5.353 -6.679 -11.002 159 2HG2 VAL 20 2HG2 VAL 20 -6.070 -5.233 -10.292 160 3HG2 VAL 20 3HG2 VAL 20 -7.093 -6.603 -10.722 161 H TYR 21 H TYR 21 -3.670 -5.292 -7.234 162 HA TYR 21 HA TYR 21 -3.144 -3.345 -9.255 163 1HB TYR 21 2HB TYR 21 -1.859 -3.779 -6.562 164 2HB TYR 21 1HB TYR 21 -1.822 -2.307 -7.425 165 HD1 TYR 21 1HD TYR 21 -2.453 -1.868 -4.925 166 HD2 TYR 21 2HD TYR 21 -5.020 -3.508 -7.888 167 HE1 TYR 21 1HE TYR 21 -4.421 -1.179 -3.584 168 HE2 TYR 21 2HE TYR 21 -7.005 -2.811 -6.576 169 HH TYR 21 HH TYR 21 -7.678 -2.134 -4.469 170 H TYR 22 H TYR 22 -1.609 -6.260 -8.424 171 HA TYR 22 HA TYR 22 0.524 -6.979 -8.770 172 1HB TYR 22 2HB TYR 22 1.051 -5.396 -11.142 173 2HB TYR 22 1HB TYR 22 0.630 -7.102 -11.050 174 HD1 TYR 22 1HD TYR 22 -1.476 -7.832 -11.968 175 HD2 TYR 22 2HD TYR 22 -0.993 -3.702 -11.018 176 HE1 TYR 22 1HE TYR 22 -3.599 -7.313 -13.072 177 HE2 TYR 22 2HE TYR 22 -3.118 -3.199 -12.040 178 HH TYR 22 HH TYR 22 -5.392 -4.985 -12.597 179 H ARG 23 H ARG 23 -0.226 -4.439 -7.412 180 HA ARG 23 HA ARG 23 0.960 -3.130 -5.938 181 1HB ARG 23 2HB ARG 23 3.156 -4.056 -6.664 182 2HB ARG 23 1HB ARG 23 3.145 -2.936 -8.028 183 1HG ARG 23 2HG ARG 23 2.887 -1.088 -6.322 184 2HG ARG 23 1HG ARG 23 3.275 -2.302 -5.110 185 1HD ARG 23 2HD ARG 23 5.428 -2.693 -6.094 186 2HD ARG 23 1HD ARG 23 5.032 -1.659 -7.468 187 HE ARG 23 HE ARG 23 4.848 -0.270 -4.982 188 1HH1 ARG 23 1HH1 ARG 23 7.093 -1.390 -7.404 189 2HH1 ARG 23 2HH1 ARG 23 8.263 -0.159 -7.068 190 1HH2 ARG 23 1HH2 ARG 23 6.380 1.350 -4.538 191 2HH2 ARG 23 2HH2 ARG 23 7.859 1.398 -5.437 192 HA PRO 24 HA PRO 24 1.040 0.714 -9.045 193 1HB PRO 24 2HB PRO 24 -0.191 0.138 -11.438 194 2HB PRO 24 1HB PRO 24 1.563 0.171 -11.203 195 1HG PRO 24 2HG PRO 24 -0.316 -2.169 -11.027 196 2HG PRO 24 1HG PRO 24 1.180 -2.034 -11.976 197 1HD PRO 24 2HD PRO 24 1.316 -3.269 -9.700 198 2HD PRO 24 1HD PRO 24 2.529 -2.016 -10.005 199 H VAL 25 H VAL 25 -1.562 -1.737 -9.232 200 HA VAL 25 HA VAL 25 -3.724 -1.601 -8.591 201 HB VAL 25 HB VAL 25 -4.528 -0.002 -7.190 202 1HG1 VAL 25 1HG1 VAL 25 -2.948 0.386 -5.635 203 2HG1 VAL 25 2HG1 VAL 25 -1.841 1.134 -6.785 204 3HG1 VAL 25 3HG1 VAL 25 -1.970 -0.621 -6.699 205 1HG2 VAL 25 1HG2 VAL 25 -3.360 2.460 -7.475 206 2HG2 VAL 25 2HG2 VAL 25 -4.917 1.980 -8.147 207 3HG2 VAL 25 3HG2 VAL 25 -3.465 1.894 -9.141 208 H CYS 26 H CYS 26 -2.436 -0.543 -11.211 209 HA CYS 26 HA CYS 26 -4.955 -0.087 -12.527 210 1HB CYS 26 2HB CYS 26 -4.063 2.028 -13.649 211 2HB CYS 26 1HB CYS 26 -4.606 2.185 -11.982 212 HG CYS 26 HG CYS 26 -2.331 3.410 -12.222 Start of MODEL 14 1 1H GLY 1 1HT GLY 1 3.888 8.903 11.935 2 2H GLY 1 2HT GLY 1 3.571 10.425 11.269 3 3H GLY 1 3HT GLY 1 2.545 9.123 10.929 4 1HA GLY 1 1HA GLY 1 2.600 9.287 13.676 5 2HA GLY 1 2HA GLY 1 2.484 10.945 13.110 6 H ASN 2 H ASN 2 0.988 10.514 10.769 7 HA ASN 2 HA ASN 2 -1.630 10.191 11.938 8 1HB ASN 2 2HB ASN 2 -0.811 10.844 9.098 9 2HB ASN 2 1HB ASN 2 -2.451 10.916 9.732 10 1HD2 ASN 2 1HD2 ASN 2 -3.083 12.636 10.936 11 2HD2 ASN 2 2HD2 ASN 2 -2.098 14.027 11.211 12 H ASP 3 H ASP 3 -3.049 8.583 11.580 13 HA ASP 3 HA ASP 3 -2.177 6.009 10.945 14 1HB ASP 3 2HB ASP 3 -4.573 7.266 11.831 15 2HB ASP 3 1HB ASP 3 -4.977 6.130 10.547 16 H TYR 4 H TYR 4 -2.784 8.458 8.809 17 HA TYR 4 HA TYR 4 -3.751 6.833 6.608 18 1HB TYR 4 2HB TYR 4 -4.216 8.801 5.455 19 2HB TYR 4 1HB TYR 4 -4.517 9.274 7.120 20 HD1 TYR 4 1HD TYR 4 -3.340 11.066 8.090 21 HD2 TYR 4 2HD TYR 4 -2.031 9.477 4.370 22 HE1 TYR 4 1HE TYR 4 -1.795 12.961 7.835 23 HE2 TYR 4 2HE TYR 4 -0.481 11.367 4.102 24 HH TYR 4 HH TYR 4 -0.678 14.155 5.750 25 H GLU 5 H GLU 5 -0.974 8.439 7.824 26 HA GLU 5 HA GLU 5 0.683 7.911 5.596 27 1HB GLU 5 2HB GLU 5 1.306 8.958 8.362 28 2HB GLU 5 1HB GLU 5 2.526 8.718 7.119 29 1HG GLU 5 2HG GLU 5 0.997 10.276 5.706 30 2HG GLU 5 1HG GLU 5 0.362 10.758 7.278 31 H ASP 6 H ASP 6 -0.120 6.931 8.725 32 HA ASP 6 HA ASP 6 1.621 4.825 9.162 33 1HB ASP 6 2HB ASP 6 -0.465 6.122 10.462 34 2HB ASP 6 1HB ASP 6 -1.065 4.488 10.226 35 H ARG 7 H ARG 7 -1.747 4.902 8.089 36 HA ARG 7 HA ARG 7 -1.691 2.173 7.188 37 1HB ARG 7 2HB ARG 7 -3.720 4.357 7.131 38 2HB ARG 7 1HB ARG 7 -3.866 3.094 5.924 39 1HG ARG 7 2HG ARG 7 -3.430 1.765 8.346 40 2HG ARG 7 1HG ARG 7 -4.590 3.046 8.699 41 1HD ARG 7 2HD ARG 7 -6.013 2.279 6.879 42 2HD ARG 7 1HD ARG 7 -4.843 1.027 6.472 43 HE ARG 7 HE ARG 7 -6.643 1.065 8.770 44 1HH1 ARG 7 1HH1 ARG 7 -4.065 -0.547 7.043 45 2HH1 ARG 7 2HH1 ARG 7 -4.317 -2.061 7.840 46 1HH2 ARG 7 1HH2 ARG 7 -6.967 -0.928 9.813 47 2HH2 ARG 7 2HH2 ARG 7 -5.960 -2.279 9.410 48 H TYR 8 H TYR 8 -0.825 5.242 5.913 49 HA TYR 8 HA TYR 8 -1.047 4.860 3.141 50 1HB TYR 8 2HB TYR 8 -0.020 6.913 3.514 51 2HB TYR 8 1HB TYR 8 0.754 6.355 4.958 52 HD1 TYR 8 1HD TYR 8 0.975 5.469 1.371 53 HD2 TYR 8 2HD TYR 8 3.163 6.293 4.889 54 HE1 TYR 8 1HE TYR 8 3.054 5.253 0.107 55 HE2 TYR 8 2HE TYR 8 5.247 6.087 3.655 56 HH TYR 8 HH TYR 8 6.114 6.128 1.464 57 H TYR 9 H TYR 9 1.338 4.342 5.520 58 HA TYR 9 HA TYR 9 2.946 3.022 3.756 59 1HB TYR 9 2HB TYR 9 3.977 4.267 5.547 60 2HB TYR 9 1HB TYR 9 3.164 3.239 6.749 61 HD1 TYR 9 1HD TYR 9 5.362 3.249 3.913 62 HD2 TYR 9 2HD TYR 9 4.040 1.130 7.356 63 HE1 TYR 9 1HE TYR 9 7.111 1.520 3.494 64 HE2 TYR 9 2HE TYR 9 5.841 -0.558 7.021 65 HH TYR 9 HH TYR 9 7.186 -1.439 5.075 66 H ARG 10 H ARG 10 0.799 2.008 6.324 67 HA ARG 10 HA ARG 10 1.744 -0.645 6.389 68 1HB ARG 10 2HB ARG 10 0.320 0.241 8.078 69 2HB ARG 10 1HB ARG 10 -1.025 0.417 6.936 70 1HG ARG 10 2HG ARG 10 -1.674 -1.683 7.296 71 2HG ARG 10 1HG ARG 10 -0.064 -2.291 6.912 72 1HD ARG 10 2HD ARG 10 -0.103 -1.046 9.516 73 2HD ARG 10 1HD ARG 10 -1.336 -2.299 9.400 74 HE ARG 10 HE ARG 10 0.323 -3.899 9.194 75 1HH1 ARG 10 1HH1 ARG 10 1.729 -0.701 9.133 76 2HH1 ARG 10 2HH1 ARG 10 3.346 -1.276 9.357 77 1HH2 ARG 10 1HH2 ARG 10 2.450 -4.650 9.485 78 2HH2 ARG 10 2HH2 ARG 10 3.757 -3.514 9.555 79 H GLU 11 H GLU 11 0.043 1.242 4.182 80 HA GLU 11 HA GLU 11 -1.001 -0.782 2.459 81 1HB GLU 11 2HB GLU 11 -1.574 1.727 2.530 82 2HB GLU 11 1HB GLU 11 -0.094 1.930 1.597 83 1HG GLU 11 2HG GLU 11 -0.893 0.692 -0.194 84 2HG GLU 11 1HG GLU 11 -2.203 -0.004 0.751 85 H ASN 12 H ASN 12 2.049 -0.477 3.396 86 HA ASN 12 HA ASN 12 3.568 -0.356 1.027 87 1HB ASN 12 2HB ASN 12 5.388 -1.078 2.323 88 2HB ASN 12 1HB ASN 12 4.418 -0.151 3.453 89 1HD2 ASN 12 1HD2 ASN 12 2.545 -1.816 4.341 90 2HD2 ASN 12 2HD2 ASN 12 3.235 -3.214 5.076 91 H MET 13 H MET 13 1.331 -2.539 2.251 92 HA MET 13 HA MET 13 2.550 -4.775 1.050 93 1HB MET 13 2HB MET 13 0.241 -5.843 1.375 94 2HB MET 13 1HB MET 13 1.107 -5.384 2.833 95 1HG MET 13 2HG MET 13 -0.229 -3.227 2.770 96 2HG MET 13 1HG MET 13 -1.223 -4.004 1.540 97 1HE MET 13 1HE MET 13 0.597 -5.169 4.702 98 2HE MET 13 2HE MET 13 -0.693 -5.647 5.806 99 3HE MET 13 3HE MET 13 -0.391 -3.938 5.488 100 H TYR 14 H TYR 14 0.863 -2.075 0.086 101 HA TYR 14 HA TYR 14 -0.125 -3.335 -2.215 102 1HB TYR 14 2HB TYR 14 -1.389 -1.485 -2.655 103 2HB TYR 14 1HB TYR 14 -0.965 -1.030 -1.009 104 HD1 TYR 14 1HD TYR 14 -1.470 0.610 -3.825 105 HD2 TYR 14 2HD TYR 14 1.770 -0.356 -1.313 106 HE1 TYR 14 1HE TYR 14 -0.257 2.596 -4.656 107 HE2 TYR 14 2HE TYR 14 3.033 1.578 -2.109 108 HH TYR 14 HH TYR 14 2.574 3.770 -3.151 109 H ARG 15 H ARG 15 2.720 -2.176 -1.091 110 HA ARG 15 HA ARG 15 3.929 -1.504 -3.617 111 1HB ARG 15 2HB ARG 15 4.726 -1.523 -0.775 112 2HB ARG 15 1HB ARG 15 5.998 -1.966 -1.883 113 1HG ARG 15 2HG ARG 15 5.948 0.104 -2.956 114 2HG ARG 15 1HG ARG 15 4.373 0.508 -2.282 115 1HD ARG 15 2HD ARG 15 6.276 -0.046 -0.193 116 2HD ARG 15 1HD ARG 15 6.892 1.193 -1.276 117 HE ARG 15 HE ARG 15 5.607 2.533 0.042 118 1HH1 ARG 15 1HH1 ARG 15 3.545 -0.182 -0.935 119 2HH1 ARG 15 2HH1 ARG 15 2.179 0.452 -0.099 120 1HH2 ARG 15 1HH2 ARG 15 3.792 3.276 1.126 121 2HH2 ARG 15 2HH2 ARG 15 2.309 2.385 1.056 122 H TYR 16 H TYR 16 3.241 -4.149 -1.567 123 HA TYR 16 HA TYR 16 5.097 -6.027 -2.688 124 1HB TYR 16 2HB TYR 16 2.628 -6.310 -0.958 125 2HB TYR 16 1HB TYR 16 3.834 -7.557 -1.221 126 HD1 TYR 16 1HD TYR 16 4.226 -3.888 -0.360 127 HD2 TYR 16 2HD TYR 16 4.920 -7.971 0.695 128 HE1 TYR 16 1HE TYR 16 5.679 -3.176 1.484 129 HE2 TYR 16 2HE TYR 16 6.301 -7.235 2.571 130 HH TYR 16 HH TYR 16 6.658 -3.872 3.452 131 HA PRO 17 HA PRO 17 2.146 -7.599 -5.699 132 1HB PRO 17 2HB PRO 17 1.197 -9.984 -4.849 133 2HB PRO 17 1HB PRO 17 2.718 -9.779 -5.737 134 1HG PRO 17 2HG PRO 17 2.376 -10.617 -3.010 135 2HG PRO 17 1HG PRO 17 3.894 -10.373 -3.887 136 1HD PRO 17 2HD PRO 17 2.592 -8.637 -1.918 137 2HD PRO 17 1HD PRO 17 4.253 -8.576 -2.534 138 H ASN 18 H ASN 18 0.607 -6.113 -5.187 139 HA ASN 18 HA ASN 18 -1.548 -6.684 -3.464 140 1HB ASN 18 2HB ASN 18 -1.666 -4.733 -5.725 141 2HB ASN 18 1HB ASN 18 -2.436 -4.627 -4.152 142 1HD2 ASN 18 1HD2 ASN 18 -1.083 -2.456 -5.066 143 2HD2 ASN 18 2HD2 ASN 18 0.354 -2.216 -4.117 144 H GLN 19 H GLN 19 -3.020 -8.041 -3.835 145 HA GLN 19 HA GLN 19 -3.418 -9.982 -5.426 146 1HB GLN 19 2HB GLN 19 -5.770 -9.958 -4.991 147 2HB GLN 19 1HB GLN 19 -4.949 -9.218 -3.617 148 1HG GLN 19 2HG GLN 19 -5.985 -7.542 -5.885 149 2HG GLN 19 1HG GLN 19 -7.042 -8.046 -4.573 150 1HE2 GLN 19 1HE2 GLN 19 -4.480 -5.890 -5.544 151 2HE2 GLN 19 2HE2 GLN 19 -4.388 -5.027 -4.048 152 H VAL 20 H VAL 20 -3.337 -7.087 -6.925 153 HA VAL 20 HA VAL 20 -3.958 -8.111 -9.463 154 HB VAL 20 HB VAL 20 -6.240 -7.981 -8.983 155 1HG1 VAL 20 1HG1 VAL 20 -5.529 -6.103 -7.080 156 2HG1 VAL 20 2HG1 VAL 20 -7.174 -6.608 -7.457 157 3HG1 VAL 20 3HG1 VAL 20 -6.486 -5.184 -8.237 158 1HG2 VAL 20 1HG2 VAL 20 -5.793 -5.322 -10.239 159 2HG2 VAL 20 2HG2 VAL 20 -7.046 -6.513 -10.589 160 3HG2 VAL 20 3HG2 VAL 20 -5.378 -6.818 -11.075 161 H TYR 21 H TYR 21 -3.589 -5.511 -7.280 162 HA TYR 21 HA TYR 21 -3.154 -3.405 -9.120 163 1HB TYR 21 2HB TYR 21 -1.741 -4.029 -6.528 164 2HB TYR 21 1HB TYR 21 -1.794 -2.484 -7.259 165 HD1 TYR 21 1HD TYR 21 -2.352 -2.383 -4.653 166 HD2 TYR 21 2HD TYR 21 -4.965 -3.676 -7.753 167 HE1 TYR 21 1HE TYR 21 -4.310 -1.863 -3.211 168 HE2 TYR 21 2HE TYR 21 -6.930 -3.152 -6.336 169 HH TYR 21 HH TYR 21 -6.770 -1.280 -3.586 170 H TYR 22 H TYR 22 -1.466 -6.323 -8.641 171 HA TYR 22 HA TYR 22 0.676 -6.920 -9.161 172 1HB TYR 22 2HB TYR 22 1.008 -5.098 -11.396 173 2HB TYR 22 1HB TYR 22 0.664 -6.823 -11.445 174 HD1 TYR 22 1HD TYR 22 -1.467 -7.564 -12.306 175 HD2 TYR 22 2HD TYR 22 -1.083 -3.518 -11.015 176 HE1 TYR 22 1HE TYR 22 -3.669 -7.042 -13.240 177 HE2 TYR 22 2HE TYR 22 -3.280 -3.016 -11.871 178 HH TYR 22 HH TYR 22 -5.120 -5.380 -13.757 179 H ARG 23 H ARG 23 -0.097 -4.538 -7.535 180 HA ARG 23 HA ARG 23 1.076 -3.306 -6.016 181 1HB ARG 23 2HB ARG 23 3.255 -4.201 -6.914 182 2HB ARG 23 1HB ARG 23 3.249 -2.868 -8.066 183 1HG ARG 23 2HG ARG 23 2.981 -1.351 -6.035 184 2HG ARG 23 1HG ARG 23 3.451 -2.761 -5.085 185 1HD ARG 23 2HD ARG 23 5.434 -1.494 -5.506 186 2HD ARG 23 1HD ARG 23 5.501 -2.939 -6.513 187 HE ARG 23 HE ARG 23 5.233 -1.624 -8.404 188 1HH1 ARG 23 1HH1 ARG 23 4.962 0.324 -5.516 189 2HH1 ARG 23 2HH1 ARG 23 5.093 1.824 -6.369 190 1HH2 ARG 23 1HH2 ARG 23 5.396 0.349 -9.522 191 2HH2 ARG 23 2HH2 ARG 23 5.337 1.840 -8.642 192 HA PRO 24 HA PRO 24 1.042 0.739 -8.833 193 1HB PRO 24 2HB PRO 24 -0.384 0.349 -11.160 194 2HB PRO 24 1HB PRO 24 1.382 0.385 -11.064 195 1HG PRO 24 2HG PRO 24 -0.463 -1.980 -10.972 196 2HG PRO 24 1HG PRO 24 0.980 -1.749 -11.978 197 1HD PRO 24 2HD PRO 24 1.210 -3.182 -9.819 198 2HD PRO 24 1HD PRO 24 2.434 -1.937 -10.106 199 H VAL 25 H VAL 25 -1.573 -1.693 -9.061 200 HA VAL 25 HA VAL 25 -3.674 -1.656 -8.244 201 HB VAL 25 HB VAL 25 -4.348 -0.272 -6.577 202 1HG1 VAL 25 1HG1 VAL 25 -1.661 0.831 -6.197 203 2HG1 VAL 25 2HG1 VAL 25 -1.725 -0.911 -6.450 204 3HG1 VAL 25 3HG1 VAL 25 -2.640 -0.180 -5.135 205 1HG2 VAL 25 1HG2 VAL 25 -3.212 2.206 -6.590 206 2HG2 VAL 25 2HG2 VAL 25 -4.801 1.817 -7.244 207 3HG2 VAL 25 3HG2 VAL 25 -3.402 1.888 -8.313 208 H CYS 26 H CYS 26 -2.693 -0.354 -10.836 209 HA CYS 26 HA CYS 26 -4.855 1.451 -11.471 210 1HB CYS 26 2HB CYS 26 -2.720 1.917 -12.477 211 2HB CYS 26 1HB CYS 26 -2.619 0.289 -13.136 212 HG CYS 26 HG CYS 26 -4.919 1.275 -14.496 Start of MODEL 15 1 1H GLY 1 1HT GLY 1 2.492 11.062 13.949 2 2H GLY 1 2HT GLY 1 1.753 11.561 12.512 3 3H GLY 1 3HT GLY 1 3.422 11.286 12.554 4 1HA GLY 1 1HA GLY 1 2.597 9.394 11.516 5 2HA GLY 1 2HA GLY 1 2.869 8.908 13.182 6 H ASN 2 H ASN 2 0.347 10.247 11.067 7 HA ASN 2 HA ASN 2 -1.748 9.260 12.780 8 1HB ASN 2 2HB ASN 2 -1.960 10.475 10.025 9 2HB ASN 2 1HB ASN 2 -3.265 10.280 11.189 10 1HD2 ASN 2 1HD2 ASN 2 -0.387 12.053 10.373 11 2HD2 ASN 2 2HD2 ASN 2 -0.640 13.363 11.472 12 H ASP 3 H ASP 3 -3.495 7.933 11.885 13 HA ASP 3 HA ASP 3 -2.592 5.438 11.008 14 1HB ASP 3 2HB ASP 3 -5.071 6.641 11.790 15 2HB ASP 3 1HB ASP 3 -5.329 5.611 10.386 16 H TYR 4 H TYR 4 -3.027 8.166 9.147 17 HA TYR 4 HA TYR 4 -3.781 6.798 6.700 18 1HB TYR 4 2HB TYR 4 -4.011 8.939 5.686 19 2HB TYR 4 1HB TYR 4 -4.737 9.070 7.282 20 HD1 TYR 4 1HD TYR 4 -4.133 10.826 8.672 21 HD2 TYR 4 2HD TYR 4 -1.558 9.765 5.458 22 HE1 TYR 4 1HE TYR 4 -2.751 12.806 9.135 23 HE2 TYR 4 2HE TYR 4 -0.165 11.741 5.914 24 HH TYR 4 HH TYR 4 -0.561 13.655 8.755 25 H GLU 5 H GLU 5 -1.137 8.271 8.315 26 HA GLU 5 HA GLU 5 0.700 8.024 6.180 27 1HB GLU 5 2HB GLU 5 0.702 9.243 8.830 28 2HB GLU 5 1HB GLU 5 2.176 8.336 8.521 29 1HG GLU 5 2HG GLU 5 1.980 9.708 6.218 30 2HG GLU 5 1HG GLU 5 1.205 10.841 7.324 31 H ASP 6 H ASP 6 -0.351 6.652 9.081 32 HA ASP 6 HA ASP 6 1.369 4.501 9.390 33 1HB ASP 6 2HB ASP 6 -0.835 5.626 10.665 34 2HB ASP 6 1HB ASP 6 -1.397 4.039 10.167 35 H ARG 7 H ARG 7 -1.896 4.743 8.069 36 HA ARG 7 HA ARG 7 -1.793 2.163 6.817 37 1HB ARG 7 2HB ARG 7 -3.739 4.461 6.458 38 2HB ARG 7 1HB ARG 7 -3.910 2.899 5.675 39 1HG ARG 7 2HG ARG 7 -3.571 2.687 8.558 40 2HG ARG 7 1HG ARG 7 -4.989 3.625 8.092 41 1HD ARG 7 2HD ARG 7 -4.316 0.829 7.194 42 2HD ARG 7 1HD ARG 7 -5.564 1.281 8.348 43 HE ARG 7 HE ARG 7 -6.147 2.658 6.036 44 1HH1 ARG 7 1HH1 ARG 7 -5.791 -0.691 6.954 45 2HH1 ARG 7 2HH1 ARG 7 -6.932 -1.263 5.784 46 1HH2 ARG 7 1HH2 ARG 7 -7.653 1.906 4.497 47 2HH2 ARG 7 2HH2 ARG 7 -7.989 0.211 4.390 48 H TYR 8 H TYR 8 -0.751 5.341 6.044 49 HA TYR 8 HA TYR 8 -0.745 5.333 3.233 50 1HB TYR 8 2HB TYR 8 0.286 7.298 3.961 51 2HB TYR 8 1HB TYR 8 0.941 6.528 5.369 52 HD1 TYR 8 1HD TYR 8 1.404 6.077 1.719 53 HD2 TYR 8 2HD TYR 8 3.350 6.418 5.457 54 HE1 TYR 8 1HE TYR 8 3.566 5.923 0.589 55 HE2 TYR 8 2HE TYR 8 5.513 6.273 4.353 56 HH TYR 8 HH TYR 8 5.803 5.496 0.965 57 H TYR 9 H TYR 9 1.436 4.481 5.710 58 HA TYR 9 HA TYR 9 3.154 3.338 3.923 59 1HB TYR 9 2HB TYR 9 4.089 4.371 5.881 60 2HB TYR 9 1HB TYR 9 3.172 3.263 6.928 61 HD1 TYR 9 1HD TYR 9 5.597 3.483 4.295 62 HD2 TYR 9 2HD TYR 9 3.929 1.063 7.368 63 HE1 TYR 9 1HE TYR 9 7.331 1.749 3.841 64 HE2 TYR 9 2HE TYR 9 5.706 -0.642 7.004 65 HH TYR 9 HH TYR 9 8.373 -0.096 4.777 66 H ARG 10 H ARG 10 0.798 2.077 6.189 67 HA ARG 10 HA ARG 10 1.762 -0.570 6.050 68 1HB ARG 10 2HB ARG 10 0.179 0.160 7.701 69 2HB ARG 10 1HB ARG 10 -1.077 0.365 6.464 70 1HG ARG 10 2HG ARG 10 -0.265 -2.226 6.066 71 2HG ARG 10 1HG ARG 10 -0.132 -2.055 7.817 72 1HD ARG 10 2HD ARG 10 -2.355 -2.881 6.932 73 2HD ARG 10 1HD ARG 10 -2.412 -1.510 8.040 74 HE ARG 10 HE ARG 10 -3.183 -0.187 6.329 75 1HH1 ARG 10 1HH1 ARG 10 -2.066 -3.219 5.013 76 2HH1 ARG 10 2HH1 ARG 10 -2.747 -2.929 3.448 77 1HH2 ARG 10 1HH2 ARG 10 -4.079 0.194 4.280 78 2HH2 ARG 10 2HH2 ARG 10 -3.889 -0.991 3.030 79 H GLU 11 H GLU 11 0.257 1.549 3.923 80 HA GLU 11 HA GLU 11 -0.660 -0.275 1.929 81 1HB GLU 11 2HB GLU 11 -1.211 2.211 2.136 82 2HB GLU 11 1HB GLU 11 0.383 2.485 1.434 83 1HG GLU 11 2HG GLU 11 -0.161 1.409 -0.555 84 2HG GLU 11 1HG GLU 11 -1.604 0.675 0.136 85 H ASN 12 H ASN 12 2.299 -0.093 3.179 86 HA ASN 12 HA ASN 12 4.016 0.091 0.947 87 1HB ASN 12 2HB ASN 12 5.706 -0.707 2.352 88 2HB ASN 12 1HB ASN 12 4.650 0.139 3.469 89 1HD2 ASN 12 1HD2 ASN 12 2.621 -1.869 3.616 90 2HD2 ASN 12 2HD2 ASN 12 3.283 -3.208 4.476 91 H MET 13 H MET 13 1.633 -2.042 1.949 92 HA MET 13 HA MET 13 2.802 -4.309 0.772 93 1HB MET 13 2HB MET 13 0.681 -3.920 2.503 94 2HB MET 13 1HB MET 13 -0.116 -4.343 0.993 95 1HG MET 13 2HG MET 13 0.627 -6.473 1.034 96 2HG MET 13 1HG MET 13 2.154 -6.044 1.805 97 1HE MET 13 1HE MET 13 1.088 -5.622 5.542 98 2HE MET 13 2HE MET 13 1.443 -4.463 4.262 99 3HE MET 13 3HE MET 13 2.479 -5.872 4.487 100 H TYR 14 H TYR 14 1.241 -1.510 -0.279 101 HA TYR 14 HA TYR 14 0.190 -2.668 -2.578 102 1HB TYR 14 2HB TYR 14 -0.831 -0.688 -3.072 103 2HB TYR 14 1HB TYR 14 -0.383 -0.289 -1.416 104 HD1 TYR 14 1HD TYR 14 -0.622 1.403 -4.249 105 HD2 TYR 14 2HD TYR 14 2.394 0.034 -1.655 106 HE1 TYR 14 1HE TYR 14 0.865 3.203 -5.057 107 HE2 TYR 14 2HE TYR 14 3.924 1.755 -2.425 108 HH TYR 14 HH TYR 14 4.161 3.577 -3.747 109 H ARG 15 H ARG 15 3.162 -1.918 -1.520 110 HA ARG 15 HA ARG 15 4.437 -1.504 -4.088 111 1HB ARG 15 2HB ARG 15 5.298 -1.532 -1.241 112 2HB ARG 15 1HB ARG 15 6.480 -2.046 -2.411 113 1HG ARG 15 2HG ARG 15 6.565 0.025 -3.434 114 2HG ARG 15 1HG ARG 15 5.001 0.505 -2.784 115 1HD ARG 15 2HD ARG 15 6.898 -0.116 -0.688 116 2HD ARG 15 1HD ARG 15 7.492 1.155 -1.753 117 HE ARG 15 HE ARG 15 6.140 2.483 -0.493 118 1HH1 ARG 15 1HH1 ARG 15 4.356 -0.477 -1.184 119 2HH1 ARG 15 2HH1 ARG 15 2.913 0.075 -0.435 120 1HH2 ARG 15 1HH2 ARG 15 4.228 3.200 0.478 121 2HH2 ARG 15 2HH2 ARG 15 2.835 2.172 0.502 122 H TYR 16 H TYR 16 3.502 -3.887 -1.807 123 HA TYR 16 HA TYR 16 5.198 -6.007 -2.705 124 1HB TYR 16 2HB TYR 16 2.790 -5.902 -0.865 125 2HB TYR 16 1HB TYR 16 3.913 -7.239 -0.998 126 HD1 TYR 16 1HD TYR 16 4.470 -3.491 -0.589 127 HD2 TYR 16 2HD TYR 16 5.117 -7.469 0.870 128 HE1 TYR 16 1HE TYR 16 6.029 -2.646 1.109 129 HE2 TYR 16 2HE TYR 16 6.582 -6.576 2.593 130 HH TYR 16 HH TYR 16 8.156 -4.326 2.713 131 HA PRO 17 HA PRO 17 2.124 -7.813 -5.427 132 1HB PRO 17 2HB PRO 17 1.356 -10.151 -4.304 133 2HB PRO 17 1HB PRO 17 2.801 -9.965 -5.325 134 1HG PRO 17 2HG PRO 17 2.712 -10.579 -2.521 135 2HG PRO 17 1HG PRO 17 4.146 -10.318 -3.523 136 1HD PRO 17 2HD PRO 17 2.854 -8.492 -1.616 137 2HD PRO 17 1HD PRO 17 4.478 -8.401 -2.324 138 H ASN 18 H ASN 18 0.554 -6.351 -4.858 139 HA ASN 18 HA ASN 18 -1.424 -7.081 -2.958 140 1HB ASN 18 2HB ASN 18 -1.453 -4.869 -4.982 141 2HB ASN 18 1HB ASN 18 -2.511 -5.017 -3.590 142 1HD2 ASN 18 1HD2 ASN 18 0.775 -4.577 -4.634 143 2HD2 ASN 18 2HD2 ASN 18 1.370 -3.827 -3.172 144 H GLN 19 H GLN 19 -2.969 -8.275 -3.287 145 HA GLN 19 HA GLN 19 -3.569 -10.132 -4.908 146 1HB GLN 19 2HB GLN 19 -5.893 -9.949 -4.332 147 2HB GLN 19 1HB GLN 19 -4.941 -9.312 -2.991 148 1HG GLN 19 2HG GLN 19 -5.963 -7.491 -5.149 149 2HG GLN 19 1HG GLN 19 -6.994 -7.963 -3.808 150 1HE2 GLN 19 1HE2 GLN 19 -4.467 -5.807 -4.858 151 2HE2 GLN 19 2HE2 GLN 19 -4.235 -5.061 -3.314 152 H VAL 20 H VAL 20 -3.381 -7.180 -6.305 153 HA VAL 20 HA VAL 20 -4.199 -8.048 -8.830 154 HB VAL 20 HB VAL 20 -6.441 -7.853 -8.148 155 1HG1 VAL 20 1HG1 VAL 20 -6.716 -5.116 -7.425 156 2HG1 VAL 20 2HG1 VAL 20 -5.447 -5.830 -6.435 157 3HG1 VAL 20 3HG1 VAL 20 -7.059 -6.540 -6.445 158 1HG2 VAL 20 1HG2 VAL 20 -6.152 -5.198 -9.415 159 2HG2 VAL 20 2HG2 VAL 20 -7.262 -6.514 -9.798 160 3HG2 VAL 20 3HG2 VAL 20 -5.571 -6.616 -10.287 161 H TYR 21 H TYR 21 -3.295 -5.617 -6.600 162 HA TYR 21 HA TYR 21 -3.026 -3.491 -8.491 163 1HB TYR 21 2HB TYR 21 -1.309 -4.132 -6.081 164 2HB TYR 21 1HB TYR 21 -1.479 -2.599 -6.822 165 HD1 TYR 21 1HD TYR 21 -1.611 -2.467 -4.182 166 HD2 TYR 21 2HD TYR 21 -4.676 -3.746 -6.850 167 HE1 TYR 21 1HE TYR 21 -3.339 -1.877 -2.482 168 HE2 TYR 21 2HE TYR 21 -6.405 -3.164 -5.177 169 HH TYR 21 HH TYR 21 -6.131 -1.224 -2.847 170 H TYR 22 H TYR 22 -1.502 -6.496 -8.138 171 HA TYR 22 HA TYR 22 0.533 -7.233 -8.842 172 1HB TYR 22 2HB TYR 22 0.748 -5.569 -11.195 173 2HB TYR 22 1HB TYR 22 0.234 -7.250 -11.109 174 HD1 TYR 22 1HD TYR 22 -1.984 -7.783 -11.833 175 HD2 TYR 22 2HD TYR 22 -1.172 -3.794 -10.571 176 HE1 TYR 22 1HE TYR 22 -4.211 -7.080 -12.574 177 HE2 TYR 22 2HE TYR 22 -3.389 -3.110 -11.235 178 HH TYR 22 HH TYR 22 -5.854 -5.144 -11.871 179 H ARG 23 H ARG 23 0.092 -4.760 -7.256 180 HA ARG 23 HA ARG 23 1.526 -3.541 -5.939 181 1HB ARG 23 2HB ARG 23 3.548 -4.493 -7.025 182 2HB ARG 23 1HB ARG 23 3.371 -3.314 -8.323 183 1HG ARG 23 2HG ARG 23 3.427 -1.545 -6.495 184 2HG ARG 23 1HG ARG 23 4.004 -2.832 -5.441 185 1HD ARG 23 2HD ARG 23 5.849 -1.515 -6.408 186 2HD ARG 23 1HD ARG 23 5.914 -3.211 -6.884 187 HE ARG 23 HE ARG 23 5.598 -2.575 -9.058 188 1HH1 ARG 23 1HH1 ARG 23 4.765 0.096 -6.971 189 2HH1 ARG 23 2HH1 ARG 23 4.546 1.211 -8.279 190 1HH2 ARG 23 1HH2 ARG 23 5.309 -1.107 -10.777 191 2HH2 ARG 23 2HH2 ARG 23 4.854 0.528 -10.437 192 HA PRO 24 HA PRO 24 1.227 0.443 -8.837 193 1HB PRO 24 2HB PRO 24 -0.414 0.038 -11.005 194 2HB PRO 24 1HB PRO 24 1.355 -0.006 -11.079 195 1HG PRO 24 2HG PRO 24 -0.564 -2.285 -10.674 196 2HG PRO 24 1HG PRO 24 0.737 -2.152 -11.876 197 1HD PRO 24 2HD PRO 24 1.238 -3.506 -9.725 198 2HD PRO 24 1HD PRO 24 2.423 -2.273 -10.184 199 H VAL 25 H VAL 25 -1.409 -1.944 -8.643 200 HA VAL 25 HA VAL 25 -3.423 -1.835 -7.642 201 HB VAL 25 HB VAL 25 -3.919 -0.370 -5.996 202 1HG1 VAL 25 1HG1 VAL 25 -1.426 -1.097 -5.901 203 2HG1 VAL 25 2HG1 VAL 25 -2.046 0.081 -4.750 204 3HG1 VAL 25 3HG1 VAL 25 -1.113 0.618 -6.145 205 1HG2 VAL 25 1HG2 VAL 25 -3.147 2.086 -6.044 206 2HG2 VAL 25 2HG2 VAL 25 -4.476 1.601 -7.092 207 3HG2 VAL 25 3HG2 VAL 25 -2.861 1.808 -7.759 208 H CYS 26 H CYS 26 -2.737 -0.845 -10.395 209 HA CYS 26 HA CYS 26 -3.920 -0.234 -12.240 210 1HB CYS 26 2HB CYS 26 -5.818 -1.313 -10.561 211 2HB CYS 26 1HB CYS 26 -6.489 0.274 -10.921 212 HG CYS 26 HG CYS 26 -6.915 -1.921 -12.673 Start of MODEL 16 1 1H GLY 1 1HT GLY 1 2.700 11.670 13.040 2 2H GLY 1 2HT GLY 1 2.530 11.156 14.641 3 3H GLY 1 3HT GLY 1 1.186 11.733 13.793 4 1HA GLY 1 1HA GLY 1 2.428 9.580 12.405 5 2HA GLY 1 2HA GLY 1 1.980 9.114 14.038 6 H ASN 2 H ASN 2 0.756 10.425 11.003 7 HA ASN 2 HA ASN 2 -1.998 10.112 11.817 8 1HB ASN 2 2HB ASN 2 -1.087 10.576 8.989 9 2HB ASN 2 1HB ASN 2 -2.590 11.073 9.758 10 1HD2 ASN 2 1HD2 ASN 2 0.771 11.777 9.307 11 2HD2 ASN 2 2HD2 ASN 2 0.741 13.366 9.984 12 H ASP 3 H ASP 3 -3.252 8.416 11.501 13 HA ASP 3 HA ASP 3 -2.267 5.900 10.799 14 1HB ASP 3 2HB ASP 3 -4.738 7.046 11.688 15 2HB ASP 3 1HB ASP 3 -5.048 5.840 10.442 16 H TYR 4 H TYR 4 -2.982 8.360 8.714 17 HA TYR 4 HA TYR 4 -3.955 6.748 6.510 18 1HB TYR 4 2HB TYR 4 -4.262 8.795 5.307 19 2HB TYR 4 1HB TYR 4 -4.867 9.059 6.935 20 HD1 TYR 4 1HD TYR 4 -4.233 10.973 8.066 21 HD2 TYR 4 2HD TYR 4 -1.776 9.564 4.892 22 HE1 TYR 4 1HE TYR 4 -2.839 12.990 8.258 23 HE2 TYR 4 2HE TYR 4 -0.372 11.574 5.079 24 HH TYR 4 HH TYR 4 -0.713 13.824 7.698 25 H GLU 5 H GLU 5 -1.181 8.440 7.650 26 HA GLU 5 HA GLU 5 0.436 7.922 5.393 27 1HB GLU 5 2HB GLU 5 0.901 9.954 6.673 28 2HB GLU 5 1HB GLU 5 1.121 8.997 8.131 29 1HG GLU 5 2HG GLU 5 3.287 8.991 7.669 30 2HG GLU 5 1HG GLU 5 2.916 7.899 6.336 31 H ASP 6 H ASP 6 -0.242 6.970 8.561 32 HA ASP 6 HA ASP 6 1.575 4.934 8.988 33 1HB ASP 6 2HB ASP 6 -0.528 6.163 10.313 34 2HB ASP 6 1HB ASP 6 -1.091 4.515 10.087 35 H ARG 7 H ARG 7 -1.812 4.854 7.962 36 HA ARG 7 HA ARG 7 -1.631 2.121 7.079 37 1HB ARG 7 2HB ARG 7 -3.778 4.165 7.123 38 2HB ARG 7 1HB ARG 7 -3.869 2.992 5.822 39 1HG ARG 7 2HG ARG 7 -3.600 1.214 7.610 40 2HG ARG 7 1HG ARG 7 -3.930 2.496 8.776 41 1HD ARG 7 2HD ARG 7 -5.916 2.769 6.852 42 2HD ARG 7 1HD ARG 7 -5.747 1.027 7.068 43 HE ARG 7 HE ARG 7 -6.985 2.801 8.855 44 1HH1 ARG 7 1HH1 ARG 7 -4.784 0.087 8.860 45 2HH1 ARG 7 2HH1 ARG 7 -5.214 -0.419 10.458 46 1HH2 ARG 7 1HH2 ARG 7 -7.551 2.133 10.959 47 2HH2 ARG 7 2HH2 ARG 7 -6.785 0.741 11.647 48 H TYR 8 H TYR 8 -0.923 5.211 5.781 49 HA TYR 8 HA TYR 8 -1.161 4.803 3.012 50 1HB TYR 8 2HB TYR 8 -0.220 6.900 3.354 51 2HB TYR 8 1HB TYR 8 0.574 6.394 4.805 52 HD1 TYR 8 1HD TYR 8 0.834 5.487 1.228 53 HD2 TYR 8 2HD TYR 8 2.987 6.418 4.743 54 HE1 TYR 8 1HE TYR 8 2.922 5.321 -0.029 55 HE2 TYR 8 2HE TYR 8 5.080 6.260 3.513 56 HH TYR 8 HH TYR 8 5.624 4.766 1.014 57 H TYR 9 H TYR 9 1.248 4.392 5.391 58 HA TYR 9 HA TYR 9 2.917 3.159 3.611 59 1HB TYR 9 2HB TYR 9 3.892 4.475 5.384 60 2HB TYR 9 1HB TYR 9 3.155 3.408 6.601 61 HD1 TYR 9 1HD TYR 9 5.317 3.519 3.730 62 HD2 TYR 9 2HD TYR 9 4.159 1.368 7.213 63 HE1 TYR 9 1HE TYR 9 7.144 1.882 3.299 64 HE2 TYR 9 2HE TYR 9 6.042 -0.224 6.866 65 HH TYR 9 HH TYR 9 7.376 -1.012 4.622 66 H ARG 10 H ARG 10 0.864 2.062 6.213 67 HA ARG 10 HA ARG 10 1.922 -0.548 6.285 68 1HB ARG 10 2HB ARG 10 0.493 0.319 7.986 69 2HB ARG 10 1HB ARG 10 -0.879 0.409 6.866 70 1HG ARG 10 2HG ARG 10 -1.449 -1.663 7.433 71 2HG ARG 10 1HG ARG 10 0.085 -2.246 6.784 72 1HD ARG 10 2HD ARG 10 1.080 -1.557 9.044 73 2HD ARG 10 1HD ARG 10 -0.589 -1.467 9.606 74 HE ARG 10 HE ARG 10 -0.672 -3.756 9.624 75 1HH1 ARG 10 1HH1 ARG 10 2.111 -2.742 7.777 76 2HH1 ARG 10 2HH1 ARG 10 2.758 -4.342 7.637 77 1HH2 ARG 10 1HH2 ARG 10 0.182 -5.866 9.437 78 2HH2 ARG 10 2HH2 ARG 10 1.666 -6.113 8.577 79 H GLU 11 H GLU 11 0.135 1.257 4.088 80 HA GLU 11 HA GLU 11 -0.864 -0.815 2.396 81 1HB GLU 11 2HB GLU 11 -1.559 1.655 2.452 82 2HB GLU 11 1HB GLU 11 -0.088 1.942 1.530 83 1HG GLU 11 2HG GLU 11 -0.811 0.696 -0.276 84 2HG GLU 11 1HG GLU 11 -2.077 -0.098 0.653 85 H ASN 12 H ASN 12 2.181 -0.373 3.299 86 HA ASN 12 HA ASN 12 3.676 -0.214 0.914 87 1HB ASN 12 2HB ASN 12 5.539 -0.839 2.206 88 2HB ASN 12 1HB ASN 12 4.540 0.060 3.334 89 1HD2 ASN 12 1HD2 ASN 12 2.727 -1.705 4.217 90 2HD2 ASN 12 2HD2 ASN 12 3.488 -3.048 4.983 91 H MET 13 H MET 13 1.541 -2.453 2.182 92 HA MET 13 HA MET 13 2.810 -4.662 0.985 93 1HB MET 13 2HB MET 13 -0.053 -4.429 1.926 94 2HB MET 13 1HB MET 13 0.789 -5.925 1.543 95 1HG MET 13 2HG MET 13 2.232 -5.682 3.424 96 2HG MET 13 1HG MET 13 1.628 -4.058 3.745 97 1HE MET 13 1HE MET 13 -1.534 -4.464 3.288 98 2HE MET 13 2HE MET 13 -0.795 -3.529 4.588 99 3HE MET 13 3HE MET 13 -2.012 -4.749 4.962 100 H TYR 14 H TYR 14 1.033 -2.019 0.016 101 HA TYR 14 HA TYR 14 0.010 -3.340 -2.237 102 1HB TYR 14 2HB TYR 14 -1.289 -1.524 -2.694 103 2HB TYR 14 1HB TYR 14 -0.836 -1.013 -1.071 104 HD1 TYR 14 1HD TYR 14 -1.375 0.501 -3.991 105 HD2 TYR 14 2HD TYR 14 1.850 -0.290 -1.396 106 HE1 TYR 14 1HE TYR 14 -0.191 2.477 -4.883 107 HE2 TYR 14 2HE TYR 14 3.084 1.634 -2.256 108 HH TYR 14 HH TYR 14 1.954 4.064 -3.611 109 H ARG 15 H ARG 15 2.857 -2.108 -1.192 110 HA ARG 15 HA ARG 15 4.008 -1.449 -3.748 111 1HB ARG 15 2HB ARG 15 4.843 -1.418 -0.924 112 2HB ARG 15 1HB ARG 15 6.109 -1.869 -2.032 113 1HG ARG 15 2HG ARG 15 6.029 0.177 -3.147 114 2HG ARG 15 1HG ARG 15 4.452 0.576 -2.473 115 1HD ARG 15 2HD ARG 15 6.373 0.084 -0.386 116 2HD ARG 15 1HD ARG 15 6.965 1.315 -1.495 117 HE ARG 15 HE ARG 15 5.663 2.663 -0.201 118 1HH1 ARG 15 1HH1 ARG 15 3.643 -0.112 -1.090 119 2HH1 ARG 15 2HH1 ARG 15 2.281 0.501 -0.232 120 1HH2 ARG 15 1HH2 ARG 15 3.848 3.380 0.921 121 2HH2 ARG 15 2HH2 ARG 15 2.384 2.456 0.885 122 H TYR 16 H TYR 16 3.396 -4.088 -1.671 123 HA TYR 16 HA TYR 16 5.237 -5.952 -2.839 124 1HB TYR 16 2HB TYR 16 2.824 -6.253 -1.039 125 2HB TYR 16 1HB TYR 16 4.047 -7.479 -1.319 126 HD1 TYR 16 1HD TYR 16 4.352 -3.784 -0.447 127 HD2 TYR 16 2HD TYR 16 5.230 -7.857 0.531 128 HE1 TYR 16 1HE TYR 16 5.830 -3.047 1.364 129 HE2 TYR 16 2HE TYR 16 6.636 -7.088 2.374 130 HH TYR 16 HH TYR 16 6.814 -4.963 3.843 131 HA PRO 17 HA PRO 17 2.196 -7.542 -5.753 132 1HB PRO 17 2HB PRO 17 1.301 -9.942 -4.896 133 2HB PRO 17 1HB PRO 17 2.798 -9.716 -5.819 134 1HG PRO 17 2HG PRO 17 2.521 -10.559 -3.081 135 2HG PRO 17 1HG PRO 17 4.012 -10.331 -4.006 136 1HD PRO 17 2HD PRO 17 2.802 -8.582 -1.992 137 2HD PRO 17 1HD PRO 17 4.430 -8.516 -2.685 138 H ASN 18 H ASN 18 0.642 -6.096 -5.198 139 HA ASN 18 HA ASN 18 -1.436 -6.732 -3.400 140 1HB ASN 18 2HB ASN 18 -1.698 -4.753 -5.618 141 2HB ASN 18 1HB ASN 18 -2.358 -4.676 -3.995 142 1HD2 ASN 18 1HD2 ASN 18 -1.045 -2.489 -5.057 143 2HD2 ASN 18 2HD2 ASN 18 0.429 -2.233 -4.175 144 H GLN 19 H GLN 19 -2.927 -8.071 -3.748 145 HA GLN 19 HA GLN 19 -3.353 -10.021 -5.308 146 1HB GLN 19 2HB GLN 19 -5.705 -9.982 -4.834 147 2HB GLN 19 1HB GLN 19 -4.849 -9.242 -3.482 148 1HG GLN 19 2HG GLN 19 -5.910 -7.570 -5.733 149 2HG GLN 19 1HG GLN 19 -6.951 -8.061 -4.404 150 1HE2 GLN 19 1HE2 GLN 19 -4.469 -5.887 -5.449 151 2HE2 GLN 19 2HE2 GLN 19 -4.312 -5.032 -3.955 152 H VAL 20 H VAL 20 -3.307 -7.144 -6.850 153 HA VAL 20 HA VAL 20 -3.955 -8.194 -9.372 154 HB VAL 20 HB VAL 20 -6.229 -8.090 -8.890 155 1HG1 VAL 20 1HG1 VAL 20 -6.720 -5.407 -8.076 156 2HG1 VAL 20 2HG1 VAL 20 -5.465 -6.080 -7.040 157 3HG1 VAL 20 3HG1 VAL 20 -7.024 -6.891 -7.173 158 1HG2 VAL 20 1HG2 VAL 20 -5.269 -5.770 -10.446 159 2HG2 VAL 20 2HG2 VAL 20 -6.980 -5.853 -10.053 160 3HG2 VAL 20 3HG2 VAL 20 -6.219 -7.162 -10.957 161 H TYR 21 H TYR 21 -3.562 -5.573 -7.208 162 HA TYR 21 HA TYR 21 -3.126 -3.494 -9.084 163 1HB TYR 21 2HB TYR 21 -1.645 -4.023 -6.507 164 2HB TYR 21 1HB TYR 21 -1.853 -2.491 -7.236 165 HD1 TYR 21 1HD TYR 21 -2.323 -2.532 -4.577 166 HD2 TYR 21 2HD TYR 21 -4.926 -3.832 -7.680 167 HE1 TYR 21 1HE TYR 21 -4.280 -2.185 -3.077 168 HE2 TYR 21 2HE TYR 21 -6.886 -3.491 -6.207 169 HH TYR 21 HH TYR 21 -7.349 -3.407 -3.757 170 H TYR 22 H TYR 22 -1.462 -6.416 -8.565 171 HA TYR 22 HA TYR 22 0.675 -7.033 -9.091 172 1HB TYR 22 2HB TYR 22 1.014 -5.244 -11.347 173 2HB TYR 22 1HB TYR 22 0.639 -6.962 -11.379 174 HD1 TYR 22 1HD TYR 22 -1.496 -7.668 -12.252 175 HD2 TYR 22 2HD TYR 22 -1.053 -3.628 -10.960 176 HE1 TYR 22 1HE TYR 22 -3.686 -7.111 -13.198 177 HE2 TYR 22 2HE TYR 22 -3.240 -3.090 -11.825 178 HH TYR 22 HH TYR 22 -5.356 -5.554 -13.204 179 H ARG 23 H ARG 23 -0.099 -4.633 -7.488 180 HA ARG 23 HA ARG 23 1.092 -3.389 -5.982 181 1HB ARG 23 2HB ARG 23 3.259 -4.262 -6.838 182 2HB ARG 23 1HB ARG 23 3.221 -3.026 -8.092 183 1HG ARG 23 2HG ARG 23 2.954 -1.371 -6.143 184 2HG ARG 23 1HG ARG 23 3.525 -2.707 -5.146 185 1HD ARG 23 2HD ARG 23 5.641 -2.552 -5.915 186 2HD ARG 23 1HD ARG 23 5.116 -2.236 -7.566 187 HE ARG 23 HE ARG 23 5.594 -0.264 -5.472 188 1HH1 ARG 23 1HH1 ARG 23 4.561 -0.942 -8.743 189 2HH1 ARG 23 2HH1 ARG 23 4.715 0.701 -9.260 190 1HH2 ARG 23 1HH2 ARG 23 5.794 1.890 -6.156 191 2HH2 ARG 23 2HH2 ARG 23 5.413 2.308 -7.793 192 HA PRO 24 HA PRO 24 1.015 0.642 -8.820 193 1HB PRO 24 2HB PRO 24 -0.244 0.253 -11.222 194 2HB PRO 24 1HB PRO 24 1.516 0.215 -11.017 195 1HG PRO 24 2HG PRO 24 -0.432 -2.073 -10.912 196 2HG PRO 24 1HG PRO 24 1.009 -1.917 -11.940 197 1HD PRO 24 2HD PRO 24 1.263 -3.288 -9.766 198 2HD PRO 24 1HD PRO 24 2.467 -2.019 -10.040 199 H VAL 25 H VAL 25 -1.561 -1.825 -8.819 200 HA VAL 25 HA VAL 25 -3.771 -1.688 -8.425 201 HB VAL 25 HB VAL 25 -3.011 -0.597 -6.317 202 1HG1 VAL 25 1HG1 VAL 25 -3.213 1.856 -7.984 203 2HG1 VAL 25 2HG1 VAL 25 -2.024 1.412 -6.758 204 3HG1 VAL 25 3HG1 VAL 25 -3.632 1.947 -6.275 205 1HG2 VAL 25 1HG2 VAL 25 -5.645 0.196 -7.514 206 2HG2 VAL 25 2HG2 VAL 25 -5.217 0.580 -5.849 207 3HG2 VAL 25 3HG2 VAL 25 -5.293 -1.096 -6.374 208 H CYS 26 H CYS 26 -2.517 -0.473 -10.804 209 HA CYS 26 HA CYS 26 -4.913 0.684 -11.900 210 1HB CYS 26 2HB CYS 26 -3.000 2.447 -10.845 211 2HB CYS 26 1HB CYS 26 -2.778 2.504 -12.589 212 HG CYS 26 HG CYS 26 -5.153 3.632 -11.050 Start of MODEL 17 1 1H GLY 1 1HT GLY 1 1.912 12.718 9.963 2 2H GLY 1 2HT GLY 1 3.556 12.386 10.181 3 3H GLY 1 3HT GLY 1 2.479 12.208 11.473 4 1HA GLY 1 1HA GLY 1 2.161 10.637 8.994 5 2HA GLY 1 2HA GLY 1 3.250 10.106 10.269 6 H ASN 2 H ASN 2 -0.105 10.990 9.589 7 HA ASN 2 HA ASN 2 -1.031 9.753 12.035 8 1HB ASN 2 2HB ASN 2 -2.597 10.931 9.733 9 2HB ASN 2 1HB ASN 2 -3.271 10.433 11.278 10 1HD2 ASN 2 1HD2 ASN 2 -0.933 12.636 9.810 11 2HD2 ASN 2 2HD2 ASN 2 -1.095 13.879 10.996 12 H ASP 3 H ASP 3 -3.339 8.505 11.340 13 HA ASP 3 HA ASP 3 -2.534 5.930 10.644 14 1HB ASP 3 2HB ASP 3 -4.967 7.280 11.354 15 2HB ASP 3 1HB ASP 3 -5.269 6.088 10.094 16 H TYR 4 H TYR 4 -2.875 8.468 8.561 17 HA TYR 4 HA TYR 4 -3.809 6.952 6.273 18 1HB TYR 4 2HB TYR 4 -3.828 9.024 5.054 19 2HB TYR 4 1HB TYR 4 -4.602 9.301 6.606 20 HD1 TYR 4 1HD TYR 4 -3.789 10.945 8.087 21 HD2 TYR 4 2HD TYR 4 -1.480 9.856 4.690 22 HE1 TYR 4 1HE TYR 4 -2.319 12.874 8.479 23 HE2 TYR 4 2HE TYR 4 0.004 11.779 5.076 24 HH TYR 4 HH TYR 4 -0.763 14.282 7.278 25 H GLU 5 H GLU 5 -1.003 8.379 7.657 26 HA GLU 5 HA GLU 5 0.714 7.710 5.509 27 1HB GLU 5 2HB GLU 5 0.984 9.225 8.020 28 2HB GLU 5 1HB GLU 5 2.399 8.279 7.577 29 1HG GLU 5 2HG GLU 5 1.065 10.208 5.706 30 2HG GLU 5 1HG GLU 5 2.381 10.663 6.787 31 H ASP 6 H ASP 6 -0.262 6.855 8.633 32 HA ASP 6 HA ASP 6 1.356 4.686 9.201 33 1HB ASP 6 2HB ASP 6 -0.743 6.078 10.364 34 2HB ASP 6 1HB ASP 6 -1.408 4.476 10.094 35 H ARG 7 H ARG 7 -1.942 4.865 7.950 36 HA ARG 7 HA ARG 7 -1.934 2.125 7.080 37 1HB ARG 7 2HB ARG 7 -4.004 3.559 7.713 38 2HB ARG 7 1HB ARG 7 -3.887 4.186 6.074 39 1HG ARG 7 2HG ARG 7 -4.945 2.408 5.289 40 2HG ARG 7 1HG ARG 7 -3.735 1.337 5.997 41 1HD ARG 7 2HD ARG 7 -6.137 2.462 7.433 42 2HD ARG 7 1HD ARG 7 -6.007 0.827 6.789 43 HE ARG 7 HE ARG 7 -4.750 1.875 9.181 44 1HH1 ARG 7 1HH1 ARG 7 -4.866 -0.713 6.840 45 2HH1 ARG 7 2HH1 ARG 7 -4.109 -1.862 7.890 46 1HH2 ARG 7 1HH2 ARG 7 -3.751 0.364 10.559 47 2HH2 ARG 7 2HH2 ARG 7 -3.476 -1.252 9.999 48 H TYR 8 H TYR 8 -0.891 5.144 5.819 49 HA TYR 8 HA TYR 8 -0.976 4.737 3.038 50 1HB TYR 8 2HB TYR 8 0.105 6.751 3.422 51 2HB TYR 8 1HB TYR 8 0.726 6.215 4.943 52 HD1 TYR 8 1HD TYR 8 1.268 5.317 1.390 53 HD2 TYR 8 2HD TYR 8 3.123 6.004 5.122 54 HE1 TYR 8 1HE TYR 8 3.455 5.027 0.340 55 HE2 TYR 8 2HE TYR 8 5.310 5.717 4.103 56 HH TYR 8 HH TYR 8 5.808 5.693 0.771 57 H TYR 9 H TYR 9 1.239 4.166 5.561 58 HA TYR 9 HA TYR 9 2.928 2.797 3.916 59 1HB TYR 9 2HB TYR 9 3.851 4.004 5.793 60 2HB TYR 9 1HB TYR 9 2.930 2.979 6.919 61 HD1 TYR 9 1HD TYR 9 5.280 2.937 4.202 62 HD2 TYR 9 2HD TYR 9 3.746 0.877 7.591 63 HE1 TYR 9 1HE TYR 9 7.008 1.172 3.879 64 HE2 TYR 9 2HE TYR 9 5.526 -0.853 7.354 65 HH TYR 9 HH TYR 9 7.024 -1.749 5.786 66 H ARG 10 H ARG 10 0.583 1.850 6.332 67 HA ARG 10 HA ARG 10 1.411 -0.844 6.424 68 1HB ARG 10 2HB ARG 10 -0.061 0.115 8.041 69 2HB ARG 10 1HB ARG 10 -1.338 0.332 6.830 70 1HG ARG 10 2HG ARG 10 -1.730 -1.628 8.274 71 2HG ARG 10 1HG ARG 10 -1.547 -2.074 6.576 72 1HD ARG 10 2HD ARG 10 -0.335 -3.575 8.148 73 2HD ARG 10 1HD ARG 10 0.701 -2.809 6.945 74 HE ARG 10 HE ARG 10 0.508 -1.484 9.525 75 1HH1 ARG 10 1HH1 ARG 10 2.323 -3.628 7.446 76 2HH1 ARG 10 2HH1 ARG 10 3.803 -3.418 8.319 77 1HH2 ARG 10 1HH2 ARG 10 2.454 -1.216 10.671 78 2HH2 ARG 10 2HH2 ARG 10 3.878 -2.053 10.148 79 H GLU 11 H GLU 11 -0.093 1.139 4.155 80 HA GLU 11 HA GLU 11 -1.108 -0.834 2.349 81 1HB GLU 11 2HB GLU 11 -1.643 1.681 2.435 82 2HB GLU 11 1HB GLU 11 -0.112 1.877 1.587 83 1HG GLU 11 2HG GLU 11 -0.829 0.699 -0.271 84 2HG GLU 11 1HG GLU 11 -2.192 -0.011 0.587 85 H ASN 12 H ASN 12 1.887 -0.624 3.445 86 HA ASN 12 HA ASN 12 3.537 -0.473 1.169 87 1HB ASN 12 2HB ASN 12 5.264 -1.321 2.533 88 2HB ASN 12 1HB ASN 12 4.288 -0.344 3.615 89 1HD2 ASN 12 1HD2 ASN 12 2.370 -1.788 4.550 90 2HD2 ASN 12 2HD2 ASN 12 2.902 -3.269 5.253 91 H MET 13 H MET 13 1.194 -2.642 2.216 92 HA MET 13 HA MET 13 2.423 -4.859 1.001 93 1HB MET 13 2HB MET 13 -0.075 -4.383 2.451 94 2HB MET 13 1HB MET 13 -0.259 -5.495 1.102 95 1HG MET 13 2HG MET 13 1.350 -6.987 1.996 96 2HG MET 13 1HG MET 13 1.847 -5.816 3.217 97 1HE MET 13 1HE MET 13 -0.013 -5.644 5.822 98 2HE MET 13 2HE MET 13 -1.547 -5.336 5.007 99 3HE MET 13 3HE MET 13 -0.067 -4.586 4.412 100 H TYR 14 H TYR 14 0.878 -2.086 0.022 101 HA TYR 14 HA TYR 14 -0.062 -3.267 -2.338 102 1HB TYR 14 2HB TYR 14 -1.224 -1.359 -2.807 103 2HB TYR 14 1HB TYR 14 -0.841 -0.930 -1.144 104 HD1 TYR 14 1HD TYR 14 -1.094 0.690 -4.049 105 HD2 TYR 14 2HD TYR 14 1.880 -0.351 -1.266 106 HE1 TYR 14 1HE TYR 14 0.267 2.601 -4.821 107 HE2 TYR 14 2HE TYR 14 3.290 1.507 -1.990 108 HH TYR 14 HH TYR 14 2.220 4.074 -3.618 109 H ARG 15 H ARG 15 2.780 -2.244 -1.075 110 HA ARG 15 HA ARG 15 4.130 -1.590 -3.535 111 1HB ARG 15 2HB ARG 15 4.799 -1.701 -0.658 112 2HB ARG 15 1HB ARG 15 6.100 -2.163 -1.719 113 1HG ARG 15 2HG ARG 15 6.209 -0.070 -2.711 114 2HG ARG 15 1HG ARG 15 4.586 0.363 -2.181 115 1HD ARG 15 2HD ARG 15 6.304 -0.259 0.058 116 2HD ARG 15 1HD ARG 15 6.994 1.014 -0.941 117 HE ARG 15 HE ARG 15 5.584 2.321 0.276 118 1HH1 ARG 15 1HH1 ARG 15 3.679 -0.438 -0.844 119 2HH1 ARG 15 2HH1 ARG 15 2.246 0.133 -0.088 120 1HH2 ARG 15 1HH2 ARG 15 3.669 3.003 1.241 121 2HH2 ARG 15 2HH2 ARG 15 2.228 2.062 1.069 122 H TYR 16 H TYR 16 3.247 -4.229 -1.549 123 HA TYR 16 HA TYR 16 5.055 -6.178 -2.620 124 1HB TYR 16 2HB TYR 16 2.515 -6.381 -0.981 125 2HB TYR 16 1HB TYR 16 3.690 -7.662 -1.204 126 HD1 TYR 16 1HD TYR 16 4.148 -4.011 -0.277 127 HD2 TYR 16 2HD TYR 16 4.688 -8.128 0.745 128 HE1 TYR 16 1HE TYR 16 5.526 -3.366 1.641 129 HE2 TYR 16 2HE TYR 16 5.995 -7.452 2.695 130 HH TYR 16 HH TYR 16 7.535 -5.117 3.176 131 HA PRO 17 HA PRO 17 2.124 -7.568 -5.736 132 1HB PRO 17 2HB PRO 17 1.113 -9.954 -5.009 133 2HB PRO 17 1HB PRO 17 2.685 -9.755 -5.802 134 1HG PRO 17 2HG PRO 17 2.157 -10.636 -3.106 135 2HG PRO 17 1HG PRO 17 3.723 -10.466 -3.911 136 1HD PRO 17 2HD PRO 17 2.447 -8.694 -1.966 137 2HD PRO 17 1HD PRO 17 4.123 -8.687 -2.543 138 H ASN 18 H ASN 18 0.609 -6.068 -5.229 139 HA ASN 18 HA ASN 18 -1.587 -6.620 -3.547 140 1HB ASN 18 2HB ASN 18 -1.674 -4.626 -5.758 141 2HB ASN 18 1HB ASN 18 -2.377 -4.517 -4.155 142 1HD2 ASN 18 1HD2 ASN 18 -1.003 -2.371 -5.089 143 2HD2 ASN 18 2HD2 ASN 18 0.478 -2.188 -4.204 144 H GLN 19 H GLN 19 -3.052 -7.970 -3.975 145 HA GLN 19 HA GLN 19 -3.479 -9.830 -5.664 146 1HB GLN 19 2HB GLN 19 -5.824 -9.807 -5.188 147 2HB GLN 19 1HB GLN 19 -4.969 -9.156 -3.790 148 1HG GLN 19 2HG GLN 19 -6.043 -7.354 -5.937 149 2HG GLN 19 1HG GLN 19 -7.063 -7.908 -4.619 150 1HE2 GLN 19 1HE2 GLN 19 -4.507 -5.731 -5.564 151 2HE2 GLN 19 2HE2 GLN 19 -4.360 -4.943 -4.033 152 H VAL 20 H VAL 20 -3.309 -6.905 -7.062 153 HA VAL 20 HA VAL 20 -4.022 -7.773 -9.618 154 HB VAL 20 HB VAL 20 -6.292 -7.675 -9.073 155 1HG1 VAL 20 1HG1 VAL 20 -6.369 -4.892 -8.125 156 2HG1 VAL 20 2HG1 VAL 20 -5.614 -6.044 -7.032 157 3HG1 VAL 20 3HG1 VAL 20 -7.277 -6.293 -7.559 158 1HG2 VAL 20 1HG2 VAL 20 -5.961 -6.649 -11.170 159 2HG2 VAL 20 2HG2 VAL 20 -5.495 -5.126 -10.412 160 3HG2 VAL 20 3HG2 VAL 20 -7.161 -5.688 -10.306 161 H TYR 21 H TYR 21 -3.614 -5.298 -7.304 162 HA TYR 21 HA TYR 21 -3.214 -3.076 -9.002 163 1HB TYR 21 2HB TYR 21 -1.745 -3.916 -6.502 164 2HB TYR 21 1HB TYR 21 -1.733 -2.323 -7.126 165 HD1 TYR 21 1HD TYR 21 -2.236 -2.224 -4.561 166 HD2 TYR 21 2HD TYR 21 -4.969 -3.466 -7.576 167 HE1 TYR 21 1HE TYR 21 -4.136 -1.700 -3.046 168 HE2 TYR 21 2HE TYR 21 -6.876 -2.940 -6.086 169 HH TYR 21 HH TYR 21 -7.458 -2.483 -3.922 170 H TYR 22 H TYR 22 -1.496 -6.021 -8.766 171 HA TYR 22 HA TYR 22 0.626 -6.562 -9.417 172 1HB TYR 22 2HB TYR 22 0.860 -4.606 -11.545 173 2HB TYR 22 1HB TYR 22 0.514 -6.324 -11.690 174 HD1 TYR 22 1HD TYR 22 -1.644 -7.007 -12.535 175 HD2 TYR 22 2HD TYR 22 -1.222 -3.061 -10.972 176 HE1 TYR 22 1HE TYR 22 -3.877 -6.427 -13.354 177 HE2 TYR 22 2HE TYR 22 -3.449 -2.509 -11.714 178 HH TYR 22 HH TYR 22 -5.715 -4.584 -12.529 179 H ARG 23 H ARG 23 -0.104 -4.282 -7.619 180 HA ARG 23 HA ARG 23 1.133 -3.127 -6.077 181 1HB ARG 23 2HB ARG 23 3.277 -3.942 -7.126 182 2HB ARG 23 1HB ARG 23 3.201 -2.551 -8.203 183 1HG ARG 23 2HG ARG 23 3.148 -1.084 -6.198 184 2HG ARG 23 1HG ARG 23 3.413 -2.519 -5.207 185 1HD ARG 23 2HD ARG 23 5.597 -2.472 -5.606 186 2HD ARG 23 1HD ARG 23 5.329 -2.435 -7.346 187 HE ARG 23 HE ARG 23 5.012 0.056 -6.992 188 1HH1 ARG 23 1HH1 ARG 23 7.108 -1.885 -4.971 189 2HH1 ARG 23 2HH1 ARG 23 8.144 -0.561 -4.569 190 1HH2 ARG 23 1HH2 ARG 23 6.385 1.789 -6.462 191 2HH2 ARG 23 2HH2 ARG 23 7.738 1.520 -5.414 192 HA PRO 24 HA PRO 24 0.892 1.076 -8.644 193 1HB PRO 24 2HB PRO 24 -0.495 0.818 -10.993 194 2HB PRO 24 1HB PRO 24 1.273 0.817 -10.891 195 1HG PRO 24 2HG PRO 24 -0.608 -1.529 -10.872 196 2HG PRO 24 1HG PRO 24 0.791 -1.260 -11.933 197 1HD PRO 24 2HD PRO 24 1.132 -2.786 -9.866 198 2HD PRO 24 1HD PRO 24 2.322 -1.501 -10.117 199 H VAL 25 H VAL 25 -1.598 -1.454 -8.863 200 HA VAL 25 HA VAL 25 -3.675 -1.520 -8.015 201 HB VAL 25 HB VAL 25 -4.448 -0.123 -6.401 202 1HG1 VAL 25 1HG1 VAL 25 -1.801 -0.618 -6.264 203 2HG1 VAL 25 2HG1 VAL 25 -2.744 0.120 -4.971 204 3HG1 VAL 25 3HG1 VAL 25 -1.820 1.135 -6.078 205 1HG2 VAL 25 1HG2 VAL 25 -4.449 2.204 -6.328 206 2HG2 VAL 25 2HG2 VAL 25 -4.607 1.859 -8.046 207 3HG2 VAL 25 3HG2 VAL 25 -3.050 2.341 -7.385 208 H CYS 26 H CYS 26 -2.772 -0.152 -10.648 209 HA CYS 26 HA CYS 26 -3.796 0.592 -12.537 210 1HB CYS 26 2HB CYS 26 -5.422 -1.353 -11.463 211 2HB CYS 26 1HB CYS 26 -6.538 -0.011 -11.690 212 HG CYS 26 HG CYS 26 -6.674 -0.801 -13.999 Start of MODEL 18 1 1H GLY 1 1HT GLY 1 3.068 11.200 13.353 2 2H GLY 1 2HT GLY 1 4.323 11.488 12.255 3 3H GLY 1 3HT GLY 1 4.212 9.994 13.039 4 1HA GLY 1 1HA GLY 1 2.665 11.038 10.787 5 2HA GLY 1 2HA GLY 1 3.327 9.429 11.032 6 H ASN 2 H ASN 2 0.544 10.755 10.517 7 HA ASN 2 HA ASN 2 -1.010 9.741 12.727 8 1HB ASN 2 2HB ASN 2 -1.608 11.178 10.178 9 2HB ASN 2 1HB ASN 2 -2.912 10.341 11.011 10 1HD2 ASN 2 1HD2 ASN 2 -1.205 13.185 10.752 11 2HD2 ASN 2 2HD2 ASN 2 -1.713 13.939 12.221 12 H ASP 3 H ASP 3 -2.999 8.382 12.074 13 HA ASP 3 HA ASP 3 -2.138 5.832 11.307 14 1HB ASP 3 2HB ASP 3 -4.677 7.112 12.016 15 2HB ASP 3 1HB ASP 3 -4.824 5.668 11.019 16 H TYR 4 H TYR 4 -2.748 8.391 9.307 17 HA TYR 4 HA TYR 4 -3.749 6.868 7.046 18 1HB TYR 4 2HB TYR 4 -4.086 8.917 5.900 19 2HB TYR 4 1HB TYR 4 -4.640 9.185 7.543 20 HD1 TYR 4 1HD TYR 4 -3.669 10.875 8.900 21 HD2 TYR 4 2HD TYR 4 -1.925 9.924 5.138 22 HE1 TYR 4 1HE TYR 4 -2.305 12.916 9.024 23 HE2 TYR 4 2HE TYR 4 -0.547 11.960 5.258 24 HH TYR 4 HH TYR 4 0.032 13.737 6.480 25 H GLU 5 H GLU 5 -0.957 8.374 8.309 26 HA GLU 5 HA GLU 5 0.684 7.952 6.047 27 1HB GLU 5 2HB GLU 5 1.289 8.853 8.867 28 2HB GLU 5 1HB GLU 5 2.537 8.624 7.648 29 1HG GLU 5 2HG GLU 5 0.432 10.293 6.642 30 2HG GLU 5 1HG GLU 5 1.060 10.932 8.158 31 H ASP 6 H ASP 6 -0.117 6.813 9.133 32 HA ASP 6 HA ASP 6 1.576 4.645 9.437 33 1HB ASP 6 2HB ASP 6 -0.476 5.902 10.818 34 2HB ASP 6 1HB ASP 6 -1.127 4.308 10.469 35 H ARG 7 H ARG 7 -1.786 4.863 8.392 36 HA ARG 7 HA ARG 7 -1.818 2.196 7.333 37 1HB ARG 7 2HB ARG 7 -3.858 3.548 8.158 38 2HB ARG 7 1HB ARG 7 -3.800 4.347 6.593 39 1HG ARG 7 2HG ARG 7 -4.857 2.655 5.627 40 2HG ARG 7 1HG ARG 7 -3.674 1.502 6.247 41 1HD ARG 7 2HD ARG 7 -5.311 2.279 8.418 42 2HD ARG 7 1HD ARG 7 -6.379 1.922 7.065 43 HE ARG 7 HE ARG 7 -5.392 -0.284 6.969 44 1HH1 ARG 7 1HH1 ARG 7 -4.711 1.562 9.863 45 2HH1 ARG 7 2HH1 ARG 7 -4.353 0.162 10.813 46 1HH2 ARG 7 1HH2 ARG 7 -4.917 -2.116 8.227 47 2HH2 ARG 7 2HH2 ARG 7 -4.469 -1.920 9.888 48 H TYR 8 H TYR 8 -0.836 5.291 6.231 49 HA TYR 8 HA TYR 8 -1.067 5.064 3.438 50 1HB TYR 8 2HB TYR 8 0.010 7.064 3.895 51 2HB TYR 8 1HB TYR 8 0.719 6.444 5.343 52 HD1 TYR 8 1HD TYR 8 1.061 5.700 1.724 53 HD2 TYR 8 2HD TYR 8 3.121 6.301 5.367 54 HE1 TYR 8 1HE TYR 8 3.189 5.457 0.548 55 HE2 TYR 8 2HE TYR 8 5.247 6.066 4.217 56 HH TYR 8 HH TYR 8 5.578 6.184 0.899 57 H TYR 9 H TYR 9 1.267 4.329 5.813 58 HA TYR 9 HA TYR 9 2.884 3.078 3.990 59 1HB TYR 9 2HB TYR 9 3.883 4.209 5.889 60 2HB TYR 9 1HB TYR 9 3.052 3.090 6.992 61 HD1 TYR 9 1HD TYR 9 5.284 3.319 4.193 62 HD2 TYR 9 2HD TYR 9 3.923 0.950 7.452 63 HE1 TYR 9 1HE TYR 9 7.057 1.643 3.684 64 HE2 TYR 9 2HE TYR 9 5.744 -0.699 7.023 65 HH TYR 9 HH TYR 9 7.825 -0.445 4.172 66 H ARG 10 H ARG 10 0.682 1.994 6.465 67 HA ARG 10 HA ARG 10 1.535 -0.692 6.374 68 1HB ARG 10 2HB ARG 10 0.158 0.152 8.115 69 2HB ARG 10 1HB ARG 10 -1.177 0.462 6.993 70 1HG ARG 10 2HG ARG 10 -1.949 -1.551 7.576 71 2HG ARG 10 1HG ARG 10 -0.634 -2.214 6.606 72 1HD ARG 10 2HD ARG 10 -0.669 -1.706 9.573 73 2HD ARG 10 1HD ARG 10 -0.532 -3.256 8.744 74 HE ARG 10 HE ARG 10 1.585 -1.474 9.376 75 1HH1 ARG 10 1HH1 ARG 10 0.517 -3.736 6.941 76 2HH1 ARG 10 2HH1 ARG 10 2.122 -4.104 6.404 77 1HH2 ARG 10 1HH2 ARG 10 3.694 -1.964 8.675 78 2HH2 ARG 10 2HH2 ARG 10 3.925 -3.102 7.390 79 H GLU 11 H GLU 11 -0.082 1.403 4.300 80 HA GLU 11 HA GLU 11 -1.159 -0.464 2.415 81 1HB GLU 11 2HB GLU 11 -1.729 2.021 2.656 82 2HB GLU 11 1HB GLU 11 -0.203 2.310 1.830 83 1HG GLU 11 2HG GLU 11 -0.897 1.262 -0.112 84 2HG GLU 11 1HG GLU 11 -2.255 0.476 0.684 85 H ASN 12 H ASN 12 1.823 -0.377 3.451 86 HA ASN 12 HA ASN 12 3.469 -0.051 1.198 87 1HB ASN 12 2HB ASN 12 5.044 -1.508 2.513 88 2HB ASN 12 1HB ASN 12 4.501 -0.073 3.372 89 1HD2 ASN 12 1HD2 ASN 12 3.588 -3.476 2.907 90 2HD2 ASN 12 2HD2 ASN 12 3.131 -3.749 4.549 91 H MET 13 H MET 13 1.108 -2.281 2.122 92 HA MET 13 HA MET 13 2.248 -4.401 0.687 93 1HB MET 13 2HB MET 13 -0.134 -4.020 2.309 94 2HB MET 13 1HB MET 13 -0.471 -4.951 0.857 95 1HG MET 13 2HG MET 13 1.156 -6.595 1.442 96 2HG MET 13 1HG MET 13 1.742 -5.613 2.782 97 1HE MET 13 1HE MET 13 -1.288 -4.579 3.814 98 2HE MET 13 2HE MET 13 0.149 -4.883 4.792 99 3HE MET 13 3HE MET 13 -1.373 -5.681 5.189 100 H TYR 14 H TYR 14 0.731 -1.532 -0.073 101 HA TYR 14 HA TYR 14 -0.388 -2.516 -2.445 102 1HB TYR 14 2HB TYR 14 -1.443 -0.520 -2.771 103 2HB TYR 14 1HB TYR 14 -0.983 -0.232 -1.097 104 HD1 TYR 14 1HD TYR 14 -1.225 1.590 -3.882 105 HD2 TYR 14 2HD TYR 14 1.757 0.186 -1.263 106 HE1 TYR 14 1HE TYR 14 0.238 3.453 -4.580 107 HE2 TYR 14 2HE TYR 14 3.265 1.984 -1.931 108 HH TYR 14 HH TYR 14 2.193 4.711 -3.637 109 H ARG 15 H ARG 15 2.563 -1.789 -1.308 110 HA ARG 15 HA ARG 15 3.840 -1.092 -3.806 111 1HB ARG 15 2HB ARG 15 4.661 -1.314 -0.977 112 2HB ARG 15 1HB ARG 15 5.872 -1.791 -2.135 113 1HG ARG 15 2HG ARG 15 5.975 0.325 -3.092 114 2HG ARG 15 1HG ARG 15 4.428 0.800 -2.401 115 1HD ARG 15 2HD ARG 15 6.360 0.037 -0.378 116 2HD ARG 15 1HD ARG 15 6.926 1.374 -1.374 117 HE ARG 15 HE ARG 15 5.620 2.605 0.024 118 1HH1 ARG 15 1HH1 ARG 15 3.738 -0.256 -0.891 119 2HH1 ARG 15 2HH1 ARG 15 2.329 0.279 -0.069 120 1HH2 ARG 15 1HH2 ARG 15 3.750 3.277 1.079 121 2HH2 ARG 15 2HH2 ARG 15 2.331 2.283 1.044 122 H TYR 16 H TYR 16 2.942 -3.753 -1.849 123 HA TYR 16 HA TYR 16 4.730 -5.702 -2.929 124 1HB TYR 16 2HB TYR 16 2.240 -5.847 -1.210 125 2HB TYR 16 1HB TYR 16 3.365 -7.164 -1.466 126 HD1 TYR 16 1HD TYR 16 3.915 -3.508 -0.584 127 HD2 TYR 16 2HD TYR 16 4.488 -7.631 0.427 128 HE1 TYR 16 1HE TYR 16 5.400 -2.875 1.259 129 HE2 TYR 16 2HE TYR 16 5.892 -6.957 2.302 130 HH TYR 16 HH TYR 16 6.271 -3.663 3.288 131 HA PRO 17 HA PRO 17 1.813 -7.197 -6.002 132 1HB PRO 17 2HB PRO 17 1.030 -9.665 -5.229 133 2HB PRO 17 1HB PRO 17 2.521 -9.341 -6.144 134 1HG PRO 17 2HG PRO 17 2.302 -10.310 -3.450 135 2HG PRO 17 1HG PRO 17 3.782 -9.918 -4.337 136 1HD PRO 17 2HD PRO 17 2.375 -8.350 -2.285 137 2HD PRO 17 1HD PRO 17 4.032 -8.164 -2.888 138 H ASN 18 H ASN 18 0.206 -5.849 -5.368 139 HA ASN 18 HA ASN 18 -1.819 -6.791 -3.626 140 1HB ASN 18 2HB ASN 18 -1.677 -4.384 -5.425 141 2HB ASN 18 1HB ASN 18 -2.964 -4.691 -4.268 142 1HD2 ASN 18 1HD2 ASN 18 0.511 -4.349 -4.570 143 2HD2 ASN 18 2HD2 ASN 18 0.800 -3.647 -2.995 144 H GLN 19 H GLN 19 -3.376 -7.965 -4.153 145 HA GLN 19 HA GLN 19 -3.749 -9.785 -5.850 146 1HB GLN 19 2HB GLN 19 -6.146 -9.613 -5.680 147 2HB GLN 19 1HB GLN 19 -5.428 -9.010 -4.184 148 1HG GLN 19 2HG GLN 19 -6.133 -7.166 -6.456 149 2HG GLN 19 1HG GLN 19 -7.317 -7.627 -5.238 150 1HE2 GLN 19 1HE2 GLN 19 -4.859 -5.377 -6.037 151 2HE2 GLN 19 2HE2 GLN 19 -4.709 -4.684 -4.462 152 H VAL 20 H VAL 20 -3.728 -6.659 -7.038 153 HA VAL 20 HA VAL 20 -3.894 -7.540 -9.703 154 HB VAL 20 HB VAL 20 -6.253 -7.494 -9.291 155 1HG1 VAL 20 1HG1 VAL 20 -7.047 -4.895 -9.047 156 2HG1 VAL 20 2HG1 VAL 20 -5.597 -4.924 -8.051 157 3HG1 VAL 20 3HG1 VAL 20 -6.922 -6.025 -7.700 158 1HG2 VAL 20 1HG2 VAL 20 -6.157 -5.075 -10.887 159 2HG2 VAL 20 2HG2 VAL 20 -6.671 -6.703 -11.331 160 3HG2 VAL 20 3HG2 VAL 20 -4.961 -6.276 -11.373 161 H TYR 21 H TYR 21 -3.055 -5.344 -7.379 162 HA TYR 21 HA TYR 21 -2.569 -3.224 -9.318 163 1HB TYR 21 2HB TYR 21 -1.363 -3.449 -6.560 164 2HB TYR 21 1HB TYR 21 -1.731 -2.033 -7.440 165 HD1 TYR 21 1HD TYR 21 -2.207 -2.182 -4.683 166 HD2 TYR 21 2HD TYR 21 -4.669 -3.407 -7.924 167 HE1 TYR 21 1HE TYR 21 -4.236 -1.853 -3.273 168 HE2 TYR 21 2HE TYR 21 -6.691 -3.096 -6.550 169 HH TYR 21 HH TYR 21 -7.148 -1.456 -4.299 170 H TYR 22 H TYR 22 -1.328 -6.146 -8.144 171 HA TYR 22 HA TYR 22 0.801 -6.986 -8.147 172 1HB TYR 22 2HB TYR 22 1.599 -5.741 -10.656 173 2HB TYR 22 1HB TYR 22 1.131 -7.417 -10.373 174 HD1 TYR 22 1HD TYR 22 -0.910 -8.232 -11.315 175 HD2 TYR 22 2HD TYR 22 -0.378 -4.023 -10.907 176 HE1 TYR 22 1HE TYR 22 -2.949 -7.842 -12.605 177 HE2 TYR 22 2HE TYR 22 -2.411 -3.634 -12.126 178 HH TYR 22 HH TYR 22 -3.789 -4.833 -13.860 179 H ARG 23 H ARG 23 0.106 -4.575 -6.966 180 HA ARG 23 HA ARG 23 1.336 -3.205 -5.529 181 1HB ARG 23 2HB ARG 23 3.562 -3.654 -6.333 182 2HB ARG 23 1HB ARG 23 3.225 -2.874 -7.873 183 1HG ARG 23 2HG ARG 23 2.841 -0.752 -6.603 184 2HG ARG 23 1HG ARG 23 3.442 -1.583 -5.182 185 1HD ARG 23 2HD ARG 23 4.904 -0.787 -7.666 186 2HD ARG 23 1HD ARG 23 5.303 -0.442 -5.985 187 HE ARG 23 HE ARG 23 5.412 -3.240 -6.652 188 1HH1 ARG 23 1HH1 ARG 23 7.172 -0.226 -6.572 189 2HH1 ARG 23 2HH1 ARG 23 8.726 -0.990 -6.572 190 1HH2 ARG 23 1HH2 ARG 23 7.459 -4.245 -6.658 191 2HH2 ARG 23 2HH2 ARG 23 8.889 -3.270 -6.622 192 HA PRO 24 HA PRO 24 0.513 0.791 -8.224 193 1HB PRO 24 2HB PRO 24 -0.562 0.136 -10.719 194 2HB PRO 24 1HB PRO 24 1.060 0.762 -10.415 195 1HG PRO 24 2HG PRO 24 0.155 -2.076 -10.721 196 2HG PRO 24 1HG PRO 24 1.593 -1.283 -11.392 197 1HD PRO 24 2HD PRO 24 1.872 -2.830 -9.281 198 2HD PRO 24 1HD PRO 24 2.689 -1.253 -9.295 199 H VAL 25 H VAL 25 -1.879 -0.942 -10.165 200 HA VAL 25 HA VAL 25 -3.769 -1.160 -8.089 201 HB VAL 25 HB VAL 25 -5.375 0.516 -9.344 202 1HG1 VAL 25 1HG1 VAL 25 -4.576 0.453 -6.922 203 2HG1 VAL 25 2HG1 VAL 25 -5.093 2.011 -7.568 204 3HG1 VAL 25 3HG1 VAL 25 -3.376 1.648 -7.416 205 1HG2 VAL 25 1HG2 VAL 25 -3.747 2.619 -9.629 206 2HG2 VAL 25 2HG2 VAL 25 -4.207 1.571 -10.970 207 3HG2 VAL 25 3HG2 VAL 25 -2.656 1.343 -10.165 208 H CYS 26 H CYS 26 -3.303 -0.841 -11.572 209 HA CYS 26 HA CYS 26 -4.732 -3.301 -12.020 210 1HB CYS 26 2HB CYS 26 -6.074 -0.737 -12.327 211 2HB CYS 26 1HB CYS 26 -6.069 -1.657 -13.828 212 HG CYS 26 HG CYS 26 -7.509 -3.436 -12.763 Start of MODEL 19 1 1H GLY 1 1HT GLY 1 2.218 11.249 14.897 2 2H GLY 1 2HT GLY 1 2.549 9.608 14.655 3 3H GLY 1 3HT GLY 1 0.956 10.121 14.901 4 1HA GLY 1 1HA GLY 1 2.206 11.461 12.700 5 2HA GLY 1 2HA GLY 1 2.157 9.718 12.487 6 H ASN 2 H ASN 2 0.496 9.157 11.277 7 HA ASN 2 HA ASN 2 -2.187 9.920 11.994 8 1HB ASN 2 2HB ASN 2 -1.230 10.630 9.214 9 2HB ASN 2 1HB ASN 2 -2.811 10.954 9.920 10 1HD2 ASN 2 1HD2 ASN 2 0.361 12.077 9.470 11 2HD2 ASN 2 2HD2 ASN 2 0.234 13.526 10.402 12 H ASP 3 H ASP 3 -3.555 8.307 11.532 13 HA ASP 3 HA ASP 3 -2.704 5.798 10.716 14 1HB ASP 3 2HB ASP 3 -5.153 7.051 11.497 15 2HB ASP 3 1HB ASP 3 -5.451 5.948 10.156 16 H TYR 4 H TYR 4 -3.094 8.404 8.730 17 HA TYR 4 HA TYR 4 -3.992 6.990 6.366 18 1HB TYR 4 2HB TYR 4 -4.324 9.047 5.363 19 2HB TYR 4 1HB TYR 4 -4.600 9.461 7.047 20 HD1 TYR 4 1HD TYR 4 -3.307 11.118 8.103 21 HD2 TYR 4 2HD TYR 4 -2.073 9.599 4.328 22 HE1 TYR 4 1HE TYR 4 -1.623 12.905 7.944 23 HE2 TYR 4 2HE TYR 4 -0.386 11.382 4.157 24 HH TYR 4 HH TYR 4 -0.397 14.091 5.780 25 H GLU 5 H GLU 5 -1.223 8.384 7.844 26 HA GLU 5 HA GLU 5 0.548 7.849 5.702 27 1HB GLU 5 2HB GLU 5 0.870 9.014 8.449 28 2HB GLU 5 1HB GLU 5 2.284 8.461 7.558 29 1HG GLU 5 2HG GLU 5 0.889 10.041 5.751 30 2HG GLU 5 1HG GLU 5 0.766 10.899 7.285 31 H ASP 6 H ASP 6 -0.487 6.819 8.751 32 HA ASP 6 HA ASP 6 1.167 4.650 9.244 33 1HB ASP 6 2HB ASP 6 -0.962 5.971 10.441 34 2HB ASP 6 1HB ASP 6 -1.596 4.365 10.110 35 H ARG 7 H ARG 7 -2.120 4.848 7.941 36 HA ARG 7 HA ARG 7 -2.060 2.145 6.953 37 1HB ARG 7 2HB ARG 7 -4.052 4.300 7.018 38 2HB ARG 7 1HB ARG 7 -4.070 3.399 5.516 39 1HG ARG 7 2HG ARG 7 -3.913 1.502 7.587 40 2HG ARG 7 1HG ARG 7 -5.136 2.681 8.063 41 1HD ARG 7 2HD ARG 7 -6.503 2.187 6.293 42 2HD ARG 7 1HD ARG 7 -5.167 1.667 5.268 43 HE ARG 7 HE ARG 7 -6.777 0.009 6.880 44 1HH1 ARG 7 1HH1 ARG 7 -3.451 0.484 5.965 45 2HH1 ARG 7 2HH1 ARG 7 -3.038 -1.182 6.140 46 1HH2 ARG 7 1HH2 ARG 7 -6.224 -2.193 7.137 47 2HH2 ARG 7 2HH2 ARG 7 -4.598 -2.702 6.819 48 H TYR 8 H TYR 8 -1.016 5.232 5.869 49 HA TYR 8 HA TYR 8 -1.020 4.936 3.077 50 1HB TYR 8 2HB TYR 8 0.017 6.950 3.572 51 2HB TYR 8 1HB TYR 8 0.628 6.356 5.075 52 HD1 TYR 8 1HD TYR 8 1.200 5.528 1.510 53 HD2 TYR 8 2HD TYR 8 3.026 6.252 5.253 54 HE1 TYR 8 1HE TYR 8 3.398 5.265 0.470 55 HE2 TYR 8 2HE TYR 8 5.224 5.999 4.242 56 HH TYR 8 HH TYR 8 5.672 5.793 0.818 57 H TYR 9 H TYR 9 1.134 4.272 5.637 58 HA TYR 9 HA TYR 9 2.874 2.999 3.961 59 1HB TYR 9 2HB TYR 9 3.740 4.150 5.899 60 2HB TYR 9 1HB TYR 9 2.850 3.035 6.964 61 HD1 TYR 9 1HD TYR 9 5.243 3.249 4.290 62 HD2 TYR 9 2HD TYR 9 3.700 0.898 7.483 63 HE1 TYR 9 1HE TYR 9 7.029 1.561 3.883 64 HE2 TYR 9 2HE TYR 9 5.529 -0.759 7.160 65 HH TYR 9 HH TYR 9 7.698 -0.585 4.395 66 H ARG 10 H ARG 10 0.494 1.900 6.279 67 HA ARG 10 HA ARG 10 1.430 -0.768 6.220 68 1HB ARG 10 2HB ARG 10 -0.055 -0.049 7.905 69 2HB ARG 10 1HB ARG 10 -1.339 0.311 6.735 70 1HG ARG 10 2HG ARG 10 -1.730 -1.806 7.938 71 2HG ARG 10 1HG ARG 10 -1.552 -2.045 6.200 72 1HD ARG 10 2HD ARG 10 -0.358 -3.724 7.591 73 2HD ARG 10 1HD ARG 10 0.667 -2.852 6.457 74 HE ARG 10 HE ARG 10 0.522 -2.162 9.318 75 1HH1 ARG 10 1HH1 ARG 10 2.370 -2.750 6.405 76 2HH1 ARG 10 2HH1 ARG 10 3.888 -2.409 7.159 77 1HH2 ARG 10 1HH2 ARG 10 2.520 -1.717 10.300 78 2HH2 ARG 10 2HH2 ARG 10 3.976 -1.827 9.367 79 H GLU 11 H GLU 11 -0.085 1.304 4.060 80 HA GLU 11 HA GLU 11 -1.012 -0.571 2.105 81 1HB GLU 11 2HB GLU 11 -1.646 1.896 2.296 82 2HB GLU 11 1HB GLU 11 -0.067 2.221 1.592 83 1HG GLU 11 2HG GLU 11 -0.577 1.145 -0.392 84 2HG GLU 11 1HG GLU 11 -1.987 0.346 0.293 85 H ASN 12 H ASN 12 1.909 -0.443 3.328 86 HA ASN 12 HA ASN 12 3.651 -0.136 1.127 87 1HB ASN 12 2HB ASN 12 4.157 -0.318 3.731 88 2HB ASN 12 1HB ASN 12 4.251 -2.032 3.348 89 1HD2 ASN 12 1HD2 ASN 12 6.306 -2.566 3.256 90 2HD2 ASN 12 2HD2 ASN 12 7.544 -1.701 2.417 91 H MET 13 H MET 13 1.300 -2.341 2.060 92 HA MET 13 HA MET 13 2.468 -4.531 0.762 93 1HB MET 13 2HB MET 13 -0.141 -4.003 2.065 94 2HB MET 13 1HB MET 13 -0.102 -5.268 0.842 95 1HG MET 13 2HG MET 13 1.598 -6.459 2.064 96 2HG MET 13 1HG MET 13 1.698 -5.157 3.251 97 1HE MET 13 1HE MET 13 -1.430 -5.388 5.312 98 2HE MET 13 2HE MET 13 -1.691 -4.590 3.760 99 3HE MET 13 3HE MET 13 -0.172 -4.358 4.626 100 H TYR 14 H TYR 14 0.965 -1.687 -0.149 101 HA TYR 14 HA TYR 14 -0.092 -2.716 -2.517 102 1HB TYR 14 2HB TYR 14 -1.095 -0.710 -2.914 103 2HB TYR 14 1HB TYR 14 -0.660 -0.395 -1.241 104 HD1 TYR 14 1HD TYR 14 -0.846 1.419 -4.001 105 HD2 TYR 14 2HD TYR 14 2.127 -0.069 -1.425 106 HE1 TYR 14 1HE TYR 14 0.658 3.236 -4.724 107 HE2 TYR 14 2HE TYR 14 3.676 1.684 -2.118 108 HH TYR 14 HH TYR 14 2.638 4.250 -4.372 109 H ARG 15 H ARG 15 2.850 -2.056 -1.347 110 HA ARG 15 HA ARG 15 4.201 -1.513 -3.851 111 1HB ARG 15 2HB ARG 15 4.939 -1.604 -0.988 112 2HB ARG 15 1HB ARG 15 6.171 -2.154 -2.083 113 1HG ARG 15 2HG ARG 15 6.342 -0.087 -3.130 114 2HG ARG 15 1HG ARG 15 4.781 0.444 -2.517 115 1HD ARG 15 2HD ARG 15 6.654 -0.244 -0.401 116 2HD ARG 15 1HD ARG 15 7.242 1.052 -1.439 117 HE ARG 15 HE ARG 15 5.904 2.330 -0.112 118 1HH1 ARG 15 1HH1 ARG 15 4.047 -0.538 -1.001 119 2HH1 ARG 15 2HH1 ARG 15 2.621 0.009 -0.220 120 1HH2 ARG 15 1HH2 ARG 15 4.010 3.023 0.899 121 2HH2 ARG 15 2HH2 ARG 15 2.595 2.025 0.859 122 H TYR 16 H TYR 16 3.186 -4.021 -1.748 123 HA TYR 16 HA TYR 16 4.922 -6.092 -2.685 124 1HB TYR 16 2HB TYR 16 2.420 -6.072 -0.977 125 2HB TYR 16 1HB TYR 16 3.522 -7.421 -1.135 126 HD1 TYR 16 1HD TYR 16 4.091 -3.727 -0.445 127 HD2 TYR 16 2HD TYR 16 4.638 -7.798 0.768 128 HE1 TYR 16 1HE TYR 16 5.535 -3.015 1.383 129 HE2 TYR 16 2HE TYR 16 6.008 -7.036 2.636 130 HH TYR 16 HH TYR 16 6.299 -4.904 4.000 131 HA PRO 17 HA PRO 17 1.933 -7.677 -5.654 132 1HB PRO 17 2HB PRO 17 1.082 -10.075 -4.774 133 2HB PRO 17 1HB PRO 17 2.619 -9.839 -5.635 134 1HG PRO 17 2HG PRO 17 2.229 -10.609 -2.880 135 2HG PRO 17 1HG PRO 17 3.757 -10.397 -3.746 136 1HD PRO 17 2HD PRO 17 2.434 -8.595 -1.852 137 2HD PRO 17 1HD PRO 17 4.099 -8.535 -2.460 138 H ASN 18 H ASN 18 0.352 -6.232 -5.089 139 HA ASN 18 HA ASN 18 -1.703 -7.008 -3.291 140 1HB ASN 18 2HB ASN 18 -1.610 -4.729 -5.238 141 2HB ASN 18 1HB ASN 18 -2.745 -4.905 -3.910 142 1HD2 ASN 18 1HD2 ASN 18 0.588 -4.467 -4.771 143 2HD2 ASN 18 2HD2 ASN 18 1.124 -3.780 -3.256 144 H GLN 19 H GLN 19 -3.206 -8.236 -3.718 145 HA GLN 19 HA GLN 19 -3.726 -10.017 -5.446 146 1HB GLN 19 2HB GLN 19 -6.073 -9.891 -4.959 147 2HB GLN 19 1HB GLN 19 -5.169 -9.345 -3.546 148 1HG GLN 19 2HG GLN 19 -6.159 -7.410 -5.616 149 2HG GLN 19 1HG GLN 19 -7.186 -7.939 -4.296 150 1HE2 GLN 19 1HE2 GLN 19 -4.681 -5.729 -5.251 151 2HE2 GLN 19 2HE2 GLN 19 -4.429 -5.062 -3.676 152 H VAL 20 H VAL 20 -3.528 -7.014 -6.700 153 HA VAL 20 HA VAL 20 -4.254 -7.763 -9.283 154 HB VAL 20 HB VAL 20 -6.520 -7.612 -8.686 155 1HG1 VAL 20 1HG1 VAL 20 -6.170 -6.348 -6.574 156 2HG1 VAL 20 2HG1 VAL 20 -7.521 -5.741 -7.522 157 3HG1 VAL 20 3HG1 VAL 20 -5.981 -4.888 -7.535 158 1HG2 VAL 20 1HG2 VAL 20 -7.290 -6.174 -10.282 159 2HG2 VAL 20 2HG2 VAL 20 -5.585 -6.272 -10.719 160 3HG2 VAL 20 3HG2 VAL 20 -6.180 -4.892 -9.798 161 H TYR 21 H TYR 21 -3.449 -5.434 -6.904 162 HA TYR 21 HA TYR 21 -3.135 -3.209 -8.677 163 1HB TYR 21 2HB TYR 21 -1.527 -3.972 -6.227 164 2HB TYR 21 1HB TYR 21 -1.646 -2.404 -6.902 165 HD1 TYR 21 1HD TYR 21 -1.912 -2.356 -4.278 166 HD2 TYR 21 2HD TYR 21 -4.847 -3.541 -7.123 167 HE1 TYR 21 1HE TYR 21 -3.718 -1.813 -2.643 168 HE2 TYR 21 2HE TYR 21 -6.657 -3.012 -5.516 169 HH TYR 21 HH TYR 21 -7.033 -1.668 -3.551 170 H TYR 22 H TYR 22 -1.626 -6.233 -8.462 171 HA TYR 22 HA TYR 22 0.434 -6.933 -9.132 172 1HB TYR 22 2HB TYR 22 0.748 -5.074 -11.324 173 2HB TYR 22 1HB TYR 22 0.251 -6.759 -11.402 174 HD1 TYR 22 1HD TYR 22 -1.945 -7.255 -12.232 175 HD2 TYR 22 2HD TYR 22 -1.203 -3.356 -10.683 176 HE1 TYR 22 1HE TYR 22 -4.138 -6.507 -13.030 177 HE2 TYR 22 2HE TYR 22 -3.392 -2.632 -11.400 178 HH TYR 22 HH TYR 22 -5.026 -3.491 -13.455 179 H ARG 23 H ARG 23 -0.071 -4.569 -7.379 180 HA ARG 23 HA ARG 23 1.302 -3.462 -5.916 181 1HB ARG 23 2HB ARG 23 3.378 -4.346 -6.933 182 2HB ARG 23 1HB ARG 23 3.268 -3.112 -8.189 183 1HG ARG 23 2HG ARG 23 3.304 -1.392 -6.379 184 2HG ARG 23 1HG ARG 23 3.641 -2.694 -5.244 185 1HD ARG 23 2HD ARG 23 5.772 -2.981 -5.980 186 2HD ARG 23 1HD ARG 23 5.370 -2.537 -7.638 187 HE ARG 23 HE ARG 23 6.067 -0.730 -5.455 188 1HH1 ARG 23 1HH1 ARG 23 5.072 -1.134 -8.779 189 2HH1 ARG 23 2HH1 ARG 23 5.495 0.483 -9.226 190 1HH2 ARG 23 1HH2 ARG 23 6.611 1.396 -6.048 191 2HH2 ARG 23 2HH2 ARG 23 6.367 1.918 -7.681 192 HA PRO 24 HA PRO 24 1.191 0.710 -8.582 193 1HB PRO 24 2HB PRO 24 -0.396 0.403 -10.821 194 2HB PRO 24 1HB PRO 24 1.374 0.406 -10.838 195 1HG PRO 24 2HG PRO 24 -0.503 -1.930 -10.638 196 2HG PRO 24 1HG PRO 24 0.849 -1.707 -11.768 197 1HD PRO 24 2HD PRO 24 1.281 -3.172 -9.679 198 2HD PRO 24 1HD PRO 24 2.457 -1.888 -10.001 199 H VAL 25 H VAL 25 -1.499 -1.650 -8.644 200 HA VAL 25 HA VAL 25 -3.522 -1.515 -7.613 201 HB VAL 25 HB VAL 25 -3.182 1.403 -7.002 202 1HG1 VAL 25 1HG1 VAL 25 -5.039 -0.691 -6.275 203 2HG1 VAL 25 2HG1 VAL 25 -5.176 1.056 -6.087 204 3HG1 VAL 25 3HG1 VAL 25 -4.356 0.098 -4.854 205 1HG2 VAL 25 1HG2 VAL 25 -1.501 -0.720 -6.018 206 2HG2 VAL 25 2HG2 VAL 25 -2.406 0.029 -4.701 207 3HG2 VAL 25 3HG2 VAL 25 -1.393 1.020 -5.754 208 H CYS 26 H CYS 26 -2.837 -0.768 -10.387 209 HA CYS 26 HA CYS 26 -3.888 -0.039 -12.265 210 1HB CYS 26 2HB CYS 26 -5.761 -1.317 -10.719 211 2HB CYS 26 1HB CYS 26 -6.542 0.230 -11.033 212 HG CYS 26 HG CYS 26 -6.189 -0.339 -13.637 Start of MODEL 20 1 1H GLY 1 1HT GLY 1 1.519 11.122 15.026 2 2H GLY 1 2HT GLY 1 3.176 10.821 14.862 3 3H GLY 1 3HT GLY 1 2.097 9.532 15.044 4 1HA GLY 1 1HA GLY 1 2.658 11.180 12.689 5 2HA GLY 1 2HA GLY 1 2.434 9.442 12.802 6 H ASN 2 H ASN 2 0.840 9.064 11.385 7 HA ASN 2 HA ASN 2 -1.822 9.938 12.051 8 1HB ASN 2 2HB ASN 2 -0.845 10.587 9.272 9 2HB ASN 2 1HB ASN 2 -2.370 11.043 10.021 10 1HD2 ASN 2 1HD2 ASN 2 0.848 11.911 9.439 11 2HD2 ASN 2 2HD2 ASN 2 0.879 13.363 10.374 12 H ASP 3 H ASP 3 -3.217 8.376 11.605 13 HA ASP 3 HA ASP 3 -2.463 5.848 10.757 14 1HB ASP 3 2HB ASP 3 -4.875 7.197 11.547 15 2HB ASP 3 1HB ASP 3 -5.203 6.040 10.259 16 H TYR 4 H TYR 4 -2.845 8.487 8.786 17 HA TYR 4 HA TYR 4 -3.811 7.072 6.452 18 1HB TYR 4 2HB TYR 4 -3.789 9.213 5.319 19 2HB TYR 4 1HB TYR 4 -4.607 9.387 6.862 20 HD1 TYR 4 1HD TYR 4 -4.106 11.234 8.147 21 HD2 TYR 4 2HD TYR 4 -1.188 9.822 5.391 22 HE1 TYR 4 1HE TYR 4 -2.672 13.159 8.686 23 HE2 TYR 4 2HE TYR 4 0.252 11.740 5.931 24 HH TYR 4 HH TYR 4 -0.750 14.450 7.355 25 H GLU 5 H GLU 5 -0.979 8.456 7.837 26 HA GLU 5 HA GLU 5 0.704 7.865 5.643 27 1HB GLU 5 2HB GLU 5 0.910 9.706 7.676 28 2HB GLU 5 1HB GLU 5 2.004 8.436 8.211 29 1HG GLU 5 2HG GLU 5 3.156 10.180 6.942 30 2HG GLU 5 1HG GLU 5 3.271 8.605 6.164 31 H ASP 6 H ASP 6 -0.240 6.880 8.736 32 HA ASP 6 HA ASP 6 1.403 4.705 9.218 33 1HB ASP 6 2HB ASP 6 -0.679 6.039 10.457 34 2HB ASP 6 1HB ASP 6 -1.370 4.463 10.101 35 H ARG 7 H ARG 7 -1.907 4.921 7.993 36 HA ARG 7 HA ARG 7 -1.896 2.226 6.991 37 1HB ARG 7 2HB ARG 7 -3.822 4.523 6.588 38 2HB ARG 7 1HB ARG 7 -4.015 2.981 5.773 39 1HG ARG 7 2HG ARG 7 -3.676 2.287 8.431 40 2HG ARG 7 1HG ARG 7 -4.689 3.732 8.483 41 1HD ARG 7 2HD ARG 7 -6.207 1.960 8.315 42 2HD ARG 7 1HD ARG 7 -6.090 2.596 6.674 43 HE ARG 7 HE ARG 7 -5.279 0.571 6.018 44 1HH1 ARG 7 1HH1 ARG 7 -4.759 0.894 9.451 45 2HH1 ARG 7 2HH1 ARG 7 -4.177 -0.726 9.642 46 1HH2 ARG 7 1HH2 ARG 7 -4.511 -1.560 6.264 47 2HH2 ARG 7 2HH2 ARG 7 -4.034 -2.119 7.833 48 H TYR 8 H TYR 8 -0.840 5.296 5.872 49 HA TYR 8 HA TYR 8 -0.913 5.012 3.077 50 1HB TYR 8 2HB TYR 8 0.170 7.005 3.562 51 2HB TYR 8 1HB TYR 8 0.806 6.392 5.047 52 HD1 TYR 8 1HD TYR 8 1.297 5.595 1.458 53 HD2 TYR 8 2HD TYR 8 3.199 6.240 5.178 54 HE1 TYR 8 1HE TYR 8 3.472 5.334 0.374 55 HE2 TYR 8 2HE TYR 8 5.375 5.980 4.121 56 HH TYR 8 HH TYR 8 5.918 6.178 0.929 57 H TYR 9 H TYR 9 1.290 4.328 5.580 58 HA TYR 9 HA TYR 9 2.978 3.033 3.876 59 1HB TYR 9 2HB TYR 9 3.899 4.189 5.793 60 2HB TYR 9 1HB TYR 9 3.022 3.089 6.881 61 HD1 TYR 9 1HD TYR 9 5.326 3.230 4.123 62 HD2 TYR 9 2HD TYR 9 3.881 0.976 7.429 63 HE1 TYR 9 1HE TYR 9 7.078 1.518 3.688 64 HE2 TYR 9 2HE TYR 9 5.680 -0.709 7.071 65 HH TYR 9 HH TYR 9 8.144 -0.580 5.825 66 H ARG 10 H ARG 10 0.669 1.984 6.294 67 HA ARG 10 HA ARG 10 1.535 -0.705 6.248 68 1HB ARG 10 2HB ARG 10 0.119 0.108 7.956 69 2HB ARG 10 1HB ARG 10 -1.186 0.462 6.809 70 1HG ARG 10 2HG ARG 10 -1.938 -1.648 6.853 71 2HG ARG 10 1HG ARG 10 -0.313 -2.320 6.713 72 1HD ARG 10 2HD ARG 10 -0.070 -1.611 9.191 73 2HD ARG 10 1HD ARG 10 -1.830 -1.529 9.172 74 HE ARG 10 HE ARG 10 -1.927 -3.833 9.003 75 1HH1 ARG 10 1HH1 ARG 10 1.385 -2.754 8.717 76 2HH1 ARG 10 2HH1 ARG 10 2.047 -4.343 8.901 77 1HH2 ARG 10 1HH2 ARG 10 -1.049 -5.922 9.240 78 2HH2 ARG 10 2HH2 ARG 10 0.668 -6.137 9.198 79 H GLU 11 H GLU 11 -0.023 1.361 4.106 80 HA GLU 11 HA GLU 11 -1.045 -0.538 2.221 81 1HB GLU 11 2HB GLU 11 -1.652 1.943 2.428 82 2HB GLU 11 1HB GLU 11 -0.118 2.241 1.616 83 1HG GLU 11 2HG GLU 11 -0.771 1.159 -0.316 84 2HG GLU 11 1HG GLU 11 -2.117 0.347 0.473 85 H ASN 12 H ASN 12 1.939 -0.349 3.299 86 HA ASN 12 HA ASN 12 3.570 -0.009 1.032 87 1HB ASN 12 2HB ASN 12 5.325 -0.935 2.317 88 2HB ASN 12 1HB ASN 12 4.357 -0.022 3.461 89 1HD2 ASN 12 1HD2 ASN 12 2.474 -1.494 4.374 90 2HD2 ASN 12 2HD2 ASN 12 3.008 -3.019 4.975 91 H MET 13 H MET 13 1.309 -2.296 1.996 92 HA MET 13 HA MET 13 2.536 -4.402 0.600 93 1HB MET 13 2HB MET 13 0.016 -4.049 2.100 94 2HB MET 13 1HB MET 13 -0.043 -5.217 0.786 95 1HG MET 13 2HG MET 13 1.729 -6.497 1.755 96 2HG MET 13 1HG MET 13 2.013 -5.263 2.980 97 1HE MET 13 1HE MET 13 0.360 -4.392 4.407 98 2HE MET 13 2HE MET 13 -0.072 -5.583 5.634 99 3HE MET 13 3HE MET 13 -1.307 -4.954 4.543 100 H TYR 14 H TYR 14 0.900 -1.609 -0.172 101 HA TYR 14 HA TYR 14 -0.215 -2.644 -2.520 102 1HB TYR 14 2HB TYR 14 -1.353 -0.696 -2.807 103 2HB TYR 14 1HB TYR 14 -0.846 -0.382 -1.152 104 HD1 TYR 14 1HD TYR 14 -1.236 1.415 -3.953 105 HD2 TYR 14 2HD TYR 14 1.864 0.140 -1.405 106 HE1 TYR 14 1HE TYR 14 0.144 3.324 -4.698 107 HE2 TYR 14 2HE TYR 14 3.286 1.982 -2.117 108 HH TYR 14 HH TYR 14 2.544 3.926 -4.821 109 H ARG 15 H ARG 15 2.726 -1.834 -1.431 110 HA ARG 15 HA ARG 15 3.932 -1.101 -3.953 111 1HB ARG 15 2HB ARG 15 4.818 -1.270 -1.142 112 2HB ARG 15 1HB ARG 15 6.018 -1.720 -2.317 113 1HG ARG 15 2HG ARG 15 6.056 0.386 -3.285 114 2HG ARG 15 1HG ARG 15 4.491 0.821 -2.603 115 1HD ARG 15 2HD ARG 15 6.468 0.145 -0.580 116 2HD ARG 15 1HD ARG 15 6.953 1.509 -1.581 117 HE ARG 15 HE ARG 15 5.606 2.662 -0.156 118 1HH1 ARG 15 1HH1 ARG 15 3.855 -0.262 -1.091 119 2HH1 ARG 15 2HH1 ARG 15 2.431 0.191 -0.246 120 1HH2 ARG 15 1HH2 ARG 15 3.721 3.224 0.929 121 2HH2 ARG 15 2HH2 ARG 15 2.349 2.171 0.891 122 H TYR 16 H TYR 16 3.158 -3.762 -1.950 123 HA TYR 16 HA TYR 16 4.957 -5.685 -3.068 124 1HB TYR 16 2HB TYR 16 2.537 -5.881 -1.253 125 2HB TYR 16 1HB TYR 16 3.701 -7.161 -1.530 126 HD1 TYR 16 1HD TYR 16 4.116 -3.470 -0.685 127 HD2 TYR 16 2HD TYR 16 4.920 -7.559 0.307 128 HE1 TYR 16 1HE TYR 16 5.624 -2.761 1.117 129 HE2 TYR 16 2HE TYR 16 6.341 -6.815 2.137 130 HH TYR 16 HH TYR 16 7.153 -5.100 3.303 131 HA PRO 17 HA PRO 17 1.932 -7.304 -5.994 132 1HB PRO 17 2HB PRO 17 1.267 -9.781 -5.155 133 2HB PRO 17 1HB PRO 17 2.714 -9.428 -6.130 134 1HG PRO 17 2HG PRO 17 2.624 -10.360 -3.416 135 2HG PRO 17 1HG PRO 17 4.055 -9.939 -4.365 136 1HD PRO 17 2HD PRO 17 2.681 -8.379 -2.281 137 2HD PRO 17 1HD PRO 17 4.310 -8.160 -2.946 138 H ASN 18 H ASN 18 0.337 -5.988 -5.313 139 HA ASN 18 HA ASN 18 -1.594 -6.934 -3.473 140 1HB ASN 18 2HB ASN 18 -1.639 -4.579 -5.342 141 2HB ASN 18 1HB ASN 18 -2.807 -4.883 -4.065 142 1HD2 ASN 18 1HD2 ASN 18 0.604 -4.373 -4.707 143 2HD2 ASN 18 2HD2 ASN 18 1.000 -3.670 -3.161 144 H GLN 19 H GLN 19 -3.104 -8.178 -3.890 145 HA GLN 19 HA GLN 19 -3.549 -10.006 -5.578 146 1HB GLN 19 2HB GLN 19 -5.923 -9.902 -5.194 147 2HB GLN 19 1HB GLN 19 -5.091 -9.307 -3.758 148 1HG GLN 19 2HG GLN 19 -6.056 -7.436 -5.914 149 2HG GLN 19 1HG GLN 19 -7.104 -7.962 -4.602 150 1HE2 GLN 19 1HE2 GLN 19 -4.730 -5.651 -5.567 151 2HE2 GLN 19 2HE2 GLN 19 -4.497 -4.965 -3.997 152 H VAL 20 H VAL 20 -3.733 -6.855 -6.696 153 HA VAL 20 HA VAL 20 -4.130 -7.696 -9.360 154 HB VAL 20 HB VAL 20 -6.435 -7.744 -8.774 155 1HG1 VAL 20 1HG1 VAL 20 -5.833 -5.685 -7.039 156 2HG1 VAL 20 2HG1 VAL 20 -7.450 -6.295 -7.386 157 3HG1 VAL 20 3HG1 VAL 20 -6.820 -4.907 -8.273 158 1HG2 VAL 20 1HG2 VAL 20 -7.182 -6.680 -10.630 159 2HG2 VAL 20 2HG2 VAL 20 -5.450 -6.515 -10.914 160 3HG2 VAL 20 3HG2 VAL 20 -6.360 -5.176 -10.218 161 H TYR 21 H TYR 21 -3.085 -5.552 -7.110 162 HA TYR 21 HA TYR 21 -2.872 -3.349 -9.020 163 1HB TYR 21 2HB TYR 21 -1.444 -3.680 -6.369 164 2HB TYR 21 1HB TYR 21 -1.788 -2.221 -7.192 165 HD1 TYR 21 1HD TYR 21 -2.165 -2.283 -4.467 166 HD2 TYR 21 2HD TYR 21 -4.774 -3.616 -7.554 167 HE1 TYR 21 1HE TYR 21 -4.112 -1.944 -2.960 168 HE2 TYR 21 2HE TYR 21 -6.730 -3.281 -6.069 169 HH TYR 21 HH TYR 21 -6.538 -1.554 -3.144 170 H TYR 22 H TYR 22 -1.433 -6.240 -7.997 171 HA TYR 22 HA TYR 22 0.681 -7.043 -8.265 172 1HB TYR 22 2HB TYR 22 1.183 -5.705 -10.811 173 2HB TYR 22 1HB TYR 22 0.804 -7.401 -10.524 174 HD1 TYR 22 1HD TYR 22 -1.306 -8.271 -11.243 175 HD2 TYR 22 2HD TYR 22 -0.862 -4.051 -10.852 176 HE1 TYR 22 1HE TYR 22 -3.489 -7.931 -12.293 177 HE2 TYR 22 2HE TYR 22 -3.034 -3.711 -11.839 178 HH TYR 22 HH TYR 22 -4.520 -5.493 -13.679 179 H ARG 23 H ARG 23 -0.026 -4.444 -7.155 180 HA ARG 23 HA ARG 23 1.193 -3.023 -5.799 181 1HB ARG 23 2HB ARG 23 3.402 -3.799 -6.501 182 2HB ARG 23 1HB ARG 23 3.251 -2.905 -8.013 183 1HG ARG 23 2HG ARG 23 2.861 -0.859 -6.499 184 2HG ARG 23 1HG ARG 23 3.546 -1.868 -5.241 185 1HD ARG 23 2HD ARG 23 5.630 -1.600 -6.007 186 2HD ARG 23 1HD ARG 23 5.133 -1.892 -7.674 187 HE ARG 23 HE ARG 23 4.259 0.659 -6.922 188 1HH1 ARG 23 1HH1 ARG 23 7.241 -1.054 -7.504 189 2HH1 ARG 23 2HH1 ARG 23 8.096 0.358 -8.027 190 1HH2 ARG 23 1HH2 ARG 23 5.392 2.524 -7.582 191 2HH2 ARG 23 2HH2 ARG 23 7.050 2.389 -8.064 192 HA PRO 24 HA PRO 24 1.008 0.681 -9.133 193 1HB PRO 24 2HB PRO 24 -0.458 -0.252 -11.337 194 2HB PRO 24 1HB PRO 24 1.273 0.109 -11.306 195 1HG PRO 24 2HG PRO 24 -0.127 -2.501 -10.850 196 2HG PRO 24 1HG PRO 24 1.306 -2.172 -11.842 197 1HD PRO 24 2HD PRO 24 1.694 -3.221 -9.495 198 2HD PRO 24 1HD PRO 24 2.660 -1.794 -9.907 199 H VAL 25 H VAL 25 -1.561 -1.821 -9.032 200 HA VAL 25 HA VAL 25 -3.675 -1.688 -8.193 201 HB VAL 25 HB VAL 25 -3.499 1.285 -7.790 202 1HG1 VAL 25 1HG1 VAL 25 -4.801 -0.752 -6.015 203 2HG1 VAL 25 2HG1 VAL 25 -5.609 -0.120 -7.449 204 3HG1 VAL 25 3HG1 VAL 25 -5.135 0.974 -6.151 205 1HG2 VAL 25 1HG2 VAL 25 -1.560 0.811 -6.646 206 2HG2 VAL 25 2HG2 VAL 25 -2.080 -0.815 -6.219 207 3HG2 VAL 25 3HG2 VAL 25 -2.761 0.572 -5.380 208 H CYS 26 H CYS 26 -2.679 -0.956 -10.960 209 HA CYS 26 HA CYS 26 -3.531 -0.335 -12.968 210 1HB CYS 26 2HB CYS 26 -5.248 -2.019 -12.159 211 2HB CYS 26 1HB CYS 26 -6.245 -0.647 -11.686 212 HG CYS 26 HG CYS 26 -7.042 -0.559 -13.987
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