NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
637036 | 6dhr | 30470 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HN GLY 1 -6.912 3.858 -1.364 2 HA2 GLY 1 2HA GLY 1 -6.607 6.283 -1.126 3 HA3 GLY 1 1HA GLY 1 -8.266 6.361 -0.561 4 H LEU 2 HN LEU 2 -7.794 3.914 1.131 5 HA LEU 2 HA LEU 2 -6.364 5.353 3.268 6 HB2 LEU 2 2HB LEU 2 -8.656 3.407 3.446 7 HB3 LEU 2 1HB LEU 2 -7.743 3.934 4.842 8 HG LEU 2 HG LEU 2 -9.416 5.697 3.052 9 HD11 LEU 2 1HD1 LEU 2 -10.748 4.200 4.450 10 HD12 LEU 2 2HD1 LEU 2 -10.887 5.870 4.996 11 HD13 LEU 2 3HD1 LEU 2 -9.862 4.736 5.877 12 HD21 LEU 2 1HD2 LEU 2 -7.873 6.325 5.571 13 HD22 LEU 2 2HD2 LEU 2 -9.006 7.413 4.782 14 HD23 LEU 2 3HD2 LEU 2 -7.529 6.938 3.951 15 HA PRO 3 HA PRO 3 -3.425 2.040 3.416 16 HB2 PRO 3 2HB PRO 3 -2.451 2.318 5.906 17 HB3 PRO 3 1HB PRO 3 -2.193 3.563 4.680 18 HG2 PRO 3 2HG PRO 3 -4.249 3.471 6.859 19 HG3 PRO 3 1HG PRO 3 -3.175 4.805 6.401 20 HD2 PRO 3 2HD PRO 3 -5.743 4.679 5.577 21 HD3 PRO 3 1HD PRO 3 -4.459 5.385 4.575 22 H ILE 4 HN ILE 4 -5.939 1.071 3.671 23 HA ILE 4 HA ILE 4 -6.585 -0.387 6.011 24 HB ILE 4 HB ILE 4 -7.453 -0.834 3.143 25 HG12 ILE 4 2HG1 ILE 4 -7.954 1.427 3.840 26 HG13 ILE 4 1HG1 ILE 4 -9.443 0.501 3.727 27 HG21 ILE 4 1HG2 ILE 4 -7.957 -2.769 4.495 28 HG22 ILE 4 2HG2 ILE 4 -9.433 -1.913 4.040 29 HG23 ILE 4 3HG2 ILE 4 -8.786 -1.747 5.675 30 HD11 ILE 4 1HD1 ILE 4 -7.971 1.215 6.254 31 HD12 ILE 4 2HD1 ILE 4 -9.438 0.245 6.170 32 HD13 ILE 4 3HD1 ILE 4 -9.470 1.939 5.671 33 H CYS 5 HN CYS 5 -4.472 -1.023 3.357 34 HA CYS 5 HA CYS 5 -4.508 -3.831 3.298 35 HB2 CYS 5 2HB CYS 5 -2.146 -2.082 2.596 36 HB3 CYS 5 1HB CYS 5 -2.559 -3.662 1.943 37 H GLY 6 HN GLY 6 -2.638 -1.542 5.222 38 HA2 GLY 6 2HA GLY 6 -1.459 -1.895 7.176 39 HA3 GLY 6 1HA GLY 6 -1.939 -3.592 7.117 40 H GLU 7 HN GLU 7 -0.403 -1.798 4.554 41 HA GLU 7 HA GLU 7 2.023 -3.371 4.891 42 HB2 GLU 7 2HB GLU 7 0.529 -2.933 2.316 43 HB3 GLU 7 1HB GLU 7 2.135 -3.620 2.439 44 HG2 GLU 7 2HG GLU 7 1.190 -5.469 3.758 45 HG3 GLU 7 1HG GLU 7 -0.421 -4.791 3.488 46 H THR 8 HN THR 8 3.844 -2.417 4.129 47 HA THR 8 HA THR 8 3.640 0.406 3.460 48 HB THR 8 HB THR 8 6.131 0.269 4.161 49 HG1 THR 8 1HG THR 8 5.171 -1.849 5.751 50 HG21 THR 8 1HG2 THR 8 3.928 0.074 6.229 51 HG22 THR 8 2HG2 THR 8 4.477 1.542 5.417 52 HG23 THR 8 3HG2 THR 8 5.554 0.690 6.526 53 H CYS 9 HN CYS 9 5.055 1.087 1.734 54 HA CYS 9 HA CYS 9 6.206 -1.128 0.387 55 HB2 CYS 9 2HB CYS 9 5.373 -0.439 -1.835 56 HB3 CYS 9 1HB CYS 9 4.088 -0.908 -0.743 57 H LEU 10 HN LEU 10 8.062 -0.463 1.199 58 HA LEU 10 HA LEU 10 9.156 2.084 0.420 59 HB2 LEU 10 2HB LEU 10 9.673 0.927 2.595 60 HB3 LEU 10 1HB LEU 10 10.510 -0.303 1.674 61 HG LEU 10 HG LEU 10 12.098 1.416 0.874 62 HD11 LEU 10 1HD1 LEU 10 10.672 3.360 1.074 63 HD12 LEU 10 2HD1 LEU 10 12.145 3.584 2.022 64 HD13 LEU 10 3HD1 LEU 10 10.624 3.170 2.822 65 HD21 LEU 10 1HD2 LEU 10 13.256 1.677 3.033 66 HD22 LEU 10 2HD2 LEU 10 12.674 0.036 2.758 67 HD23 LEU 10 3HD2 LEU 10 11.799 1.108 3.852 68 H LEU 11 HN LEU 11 9.358 -1.305 -0.383 69 HA LEU 11 HA LEU 11 11.241 -0.923 -2.542 70 HB2 LEU 11 2HB LEU 11 9.514 -3.315 -1.850 71 HB3 LEU 11 1HB LEU 11 10.828 -3.298 -3.001 72 HG LEU 11 HG LEU 11 11.148 -2.858 -0.034 73 HD11 LEU 11 1HD1 LEU 11 10.445 -5.124 -0.492 74 HD12 LEU 11 2HD1 LEU 11 12.149 -5.098 -0.033 75 HD13 LEU 11 3HD1 LEU 11 11.690 -5.286 -1.726 76 HD21 LEU 11 1HD2 LEU 11 13.538 -3.148 -0.502 77 HD22 LEU 11 2HD2 LEU 11 12.880 -1.751 -1.348 78 HD23 LEU 11 3HD2 LEU 11 13.187 -3.249 -2.227 79 H GLY 12 HN GLY 12 7.819 -1.201 -2.035 80 HA2 GLY 12 2HA GLY 12 6.429 0.208 -3.481 81 HA3 GLY 12 1HA GLY 12 7.476 -0.261 -4.802 82 H LYS 13 HN LYS 13 6.287 -2.642 -2.468 83 HA LYS 13 HA LYS 13 4.309 -3.439 -4.442 84 HB2 LYS 13 2HB LYS 13 6.301 -4.800 -4.870 85 HB3 LYS 13 1HB LYS 13 6.289 -5.354 -3.199 86 HG2 LYS 13 2HG LYS 13 4.165 -6.453 -3.539 87 HG3 LYS 13 1HG LYS 13 4.071 -5.822 -5.179 88 HD2 LYS 13 2HD LYS 13 6.073 -7.110 -5.773 89 HD3 LYS 13 1HD LYS 13 6.137 -7.750 -4.125 90 HE2 LYS 13 2HE LYS 13 3.977 -8.780 -4.398 91 HE3 LYS 13 1HE LYS 13 3.804 -8.066 -5.998 92 HZ1 LYS 13 1HZ LYS 13 4.462 -10.373 -6.137 93 HZ2 LYS 13 2HZ LYS 13 5.842 -10.092 -5.217 94 HZ3 LYS 13 3HZ LYS 13 5.691 -9.387 -6.729 95 H CYS 14 HN CYS 14 2.454 -4.165 -3.694 96 HA CYS 14 HA CYS 14 2.123 -4.558 -0.811 97 HB2 CYS 14 2HB CYS 14 0.095 -3.483 -2.790 98 HB3 CYS 14 1HB CYS 14 -0.043 -3.517 -1.035 99 H TYR 15 HN TYR 15 0.860 -6.389 -0.318 100 HA TYR 15 HA TYR 15 0.521 -8.178 -2.596 101 HB2 TYR 15 2HB TYR 15 0.752 -8.760 0.349 102 HB3 TYR 15 1HB TYR 15 0.394 -9.990 -0.859 103 HD1 TYR 15 1HD TYR 15 2.079 -10.815 -2.328 104 HD2 TYR 15 2HD TYR 15 2.972 -7.639 0.347 105 HE1 TYR 15 1HE TYR 15 4.442 -11.075 -2.830 106 HE2 TYR 15 2HE TYR 15 5.366 -7.891 -0.143 107 HH TYR 15 HH TYR 15 6.942 -9.496 -1.060 108 H THR 16 HN THR 16 -1.276 -6.594 -0.111 109 HA THR 16 HA THR 16 -3.647 -8.027 -0.114 110 HB THR 16 HB THR 16 -3.244 -5.027 0.105 111 HG1 THR 16 1HG THR 16 -2.047 -6.013 1.621 112 HG21 THR 16 1HG2 THR 16 -5.538 -6.746 1.097 113 HG22 THR 16 2HG2 THR 16 -5.618 -5.590 -0.230 114 HG23 THR 16 3HG2 THR 16 -5.338 -5.024 1.416 115 HA PRO 17 HA PRO 17 -5.052 -7.351 -4.351 116 HB2 PRO 17 2HB PRO 17 -7.664 -8.101 -3.946 117 HB3 PRO 17 1HB PRO 17 -6.340 -9.241 -4.210 118 HG2 PRO 17 2HG PRO 17 -7.621 -8.389 -1.653 119 HG3 PRO 17 1HG PRO 17 -7.090 -10.002 -2.163 120 HD2 PRO 17 2HD PRO 17 -5.660 -8.484 -0.469 121 HD3 PRO 17 1HD PRO 17 -4.884 -9.574 -1.636 122 H GLY 18 HN GLY 18 -5.817 -5.584 -5.332 123 HA2 GLY 18 2HA GLY 18 -6.990 -3.644 -5.707 124 HA3 GLY 18 1HA GLY 18 -7.976 -4.030 -4.300 125 H CYS 19 HN CYS 19 -4.516 -3.826 -4.218 126 HA CYS 19 HA CYS 19 -4.802 -1.451 -2.535 127 HB2 CYS 19 2HB CYS 19 -4.229 -3.552 -1.307 128 HB3 CYS 19 1HB CYS 19 -2.763 -3.662 -2.269 129 H SER 20 HN SER 20 -3.553 0.214 -3.087 130 HA SER 20 HA SER 20 -1.731 -0.197 -5.336 131 HB2 SER 20 2HB SER 20 -3.223 2.301 -4.524 132 HB3 SER 20 1HB SER 20 -2.264 2.067 -5.989 133 HG SER 20 HG SER 20 -3.907 0.120 -6.085 134 H CYS 21 HN CYS 21 0.319 0.400 -5.020 135 HA CYS 21 HA CYS 21 1.182 1.277 -2.457 136 HB2 CYS 21 2HB CYS 21 2.596 -0.253 -3.656 137 HB3 CYS 21 1HB CYS 21 2.650 0.811 -5.054 138 H ARG 22 HN ARG 22 1.458 3.257 -1.808 139 HA ARG 22 HA ARG 22 2.156 5.289 -3.727 140 HB2 ARG 22 2HB ARG 22 -0.231 5.688 -3.171 141 HB3 ARG 22 1HB ARG 22 0.178 5.657 -1.460 142 HG2 ARG 22 2HG ARG 22 1.599 7.604 -1.762 143 HG3 ARG 22 1HG ARG 22 1.141 7.671 -3.464 144 HD2 ARG 22 2HD ARG 22 -1.143 8.083 -2.886 145 HD3 ARG 22 1HD ARG 22 -0.802 7.823 -1.173 146 HE ARG 22 HE ARG 22 0.880 9.815 -2.058 147 HH11 ARG 22 1HH1 ARG 22 -2.601 9.362 -1.778 148 HH12 ARG 22 2HH1 ARG 22 -2.946 10.976 -1.352 149 HH21 ARG 22 1HH2 ARG 22 0.445 12.053 -1.449 150 HH22 ARG 22 2HH2 ARG 22 -1.162 12.537 -1.166 151 H ARG 23 HN ARG 23 4.161 5.025 -3.197 152 HA ARG 23 HA ARG 23 5.230 4.152 -0.905 153 HB2 ARG 23 2HB ARG 23 6.583 6.058 -2.795 154 HB3 ARG 23 1HB ARG 23 7.398 5.055 -1.613 155 HG2 ARG 23 2HG ARG 23 6.557 3.047 -2.711 156 HG3 ARG 23 1HG ARG 23 5.758 4.041 -3.923 157 HD2 ARG 23 2HD ARG 23 7.968 4.957 -4.555 158 HD3 ARG 23 1HD ARG 23 8.702 3.853 -3.390 159 HE ARG 23 HE ARG 23 6.992 2.690 -5.406 160 HH11 ARG 23 1HH1 ARG 23 10.315 3.303 -4.363 161 HH12 ARG 23 2HH1 ARG 23 10.991 2.139 -5.412 162 HH21 ARG 23 1HH2 ARG 23 7.913 1.145 -6.817 163 HH22 ARG 23 2HH2 ARG 23 9.602 0.866 -6.833 164 HA PRO 24 HA PRO 24 6.600 4.023 0.359 165 HB2 PRO 24 2HB PRO 24 7.386 4.027 2.881 166 HB3 PRO 24 1HB PRO 24 8.179 5.052 1.680 167 HG2 PRO 24 2HG PRO 24 6.290 5.803 3.847 168 HG3 PRO 24 1HG PRO 24 7.602 6.741 3.119 169 HD2 PRO 24 2HD PRO 24 4.806 6.854 2.484 170 HD3 PRO 24 1HD PRO 24 6.130 7.744 1.710 171 H VAL 25 HN VAL 25 3.529 4.550 0.913 172 HA VAL 25 HA VAL 25 3.126 2.346 2.829 173 HB VAL 25 HB VAL 25 1.385 4.838 2.667 174 HG11 VAL 25 1HG1 VAL 25 0.145 2.888 3.391 175 HG12 VAL 25 2HG1 VAL 25 0.342 4.024 4.725 176 HG13 VAL 25 3HG1 VAL 25 1.340 2.572 4.649 177 HG21 VAL 25 1HG2 VAL 25 2.286 5.474 4.861 178 HG22 VAL 25 2HG2 VAL 25 3.543 5.433 3.624 179 HG23 VAL 25 3HG2 VAL 25 3.407 4.115 4.786 180 H CYS 26 HN CYS 26 1.248 1.015 2.377 181 HA CYS 26 HA CYS 26 0.336 1.213 -0.370 182 HB2 CYS 26 2HB CYS 26 -0.074 -0.881 1.763 183 HB3 CYS 26 1HB CYS 26 -0.705 -0.994 0.124 184 H TYR 27 HN TYR 27 -1.805 1.584 -0.938 185 HA TYR 27 HA TYR 27 -3.654 2.158 1.261 186 HB2 TYR 27 2HB TYR 27 -3.208 3.865 -1.196 187 HB3 TYR 27 1HB TYR 27 -4.534 4.081 -0.063 188 HD1 TYR 27 1HD TYR 27 -0.902 4.314 -0.504 189 HD2 TYR 27 2HD TYR 27 -4.182 5.224 2.016 190 HE1 TYR 27 1HE TYR 27 0.538 5.787 0.808 191 HE2 TYR 27 2HE TYR 27 -2.752 6.704 3.356 192 HH TYR 27 HH TYR 27 0.275 7.709 2.300 193 H LYS 28 HN LYS 28 -5.641 1.425 0.974 194 HA LYS 28 HA LYS 28 -6.265 0.161 -1.581 195 HB2 LYS 28 2HB LYS 28 -6.111 -1.407 0.322 196 HB3 LYS 28 1HB LYS 28 -7.297 -0.443 1.189 197 HG2 LYS 28 2HG LYS 28 -9.004 -1.016 -0.397 198 HG3 LYS 28 1HG LYS 28 -7.828 -1.855 -1.409 199 HD2 LYS 28 2HD LYS 28 -7.426 -3.472 0.362 200 HD3 LYS 28 1HD LYS 28 -8.553 -2.619 1.418 201 HE2 LYS 28 2HE LYS 28 -9.586 -4.583 0.389 202 HE3 LYS 28 1HE LYS 28 -10.374 -3.090 -0.111 203 HZ1 LYS 28 1HZ LYS 28 -10.070 -4.582 -1.928 204 HZ2 LYS 28 2HZ LYS 28 -8.415 -4.650 -1.741 205 HZ3 LYS 28 3HZ LYS 28 -9.174 -3.194 -2.210 206 H ASN 29 HN ASN 29 -7.317 1.648 -2.638 207 HA ASN 29 HA ASN 29 -8.933 3.031 -3.349 208 HB2 ASN 29 2HB ASN 29 -10.501 2.009 -0.963 209 HB3 ASN 29 1HB ASN 29 -11.178 3.020 -2.230 210 HD21 ASN 29 1HD2 ASN 29 -12.010 0.408 -1.419 211 HD22 ASN 29 2HD2 ASN 29 -11.841 -0.638 -2.784 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 -6.447 4.171 -1.259 2 HA2 GLY 1 2HA GLY 1 -5.320 6.229 -0.805 3 HA3 GLY 1 1HA GLY 1 -6.877 7.045 -0.829 4 H LEU 2 HN LEU 2 -7.499 4.378 0.858 5 HA LEU 2 HA LEU 2 -6.844 5.704 3.382 6 HB2 LEU 2 2HB LEU 2 -9.040 3.718 2.734 7 HB3 LEU 2 1HB LEU 2 -8.650 4.228 4.356 8 HG LEU 2 HG LEU 2 -10.590 5.394 3.713 9 HD11 LEU 2 1HD1 LEU 2 -8.282 7.292 3.457 10 HD12 LEU 2 2HD1 LEU 2 -9.039 6.736 4.950 11 HD13 LEU 2 3HD1 LEU 2 -9.951 7.731 3.815 12 HD21 LEU 2 1HD2 LEU 2 -10.478 5.103 1.302 13 HD22 LEU 2 2HD2 LEU 2 -9.161 6.272 1.206 14 HD23 LEU 2 3HD2 LEU 2 -10.771 6.795 1.705 15 HA PRO 3 HA PRO 3 -4.173 2.290 4.119 16 HB2 PRO 3 2HB PRO 3 -3.777 2.606 6.800 17 HB3 PRO 3 1HB PRO 3 -2.988 3.610 5.580 18 HG2 PRO 3 2HG PRO 3 -5.300 4.239 7.336 19 HG3 PRO 3 1HG PRO 3 -4.043 5.309 6.704 20 HD2 PRO 3 2HD PRO 3 -6.629 5.107 5.712 21 HD3 PRO 3 1HD PRO 3 -5.236 5.771 4.841 22 H ILE 4 HN ILE 4 -6.288 1.164 3.650 23 HA ILE 4 HA ILE 4 -7.659 -0.149 5.802 24 HB ILE 4 HB ILE 4 -7.489 -0.984 2.894 25 HG12 ILE 4 2HG1 ILE 4 -8.339 1.314 3.038 26 HG13 ILE 4 1HG1 ILE 4 -9.620 0.215 2.549 27 HG21 ILE 4 1HG2 ILE 4 -8.307 -2.770 4.288 28 HG22 ILE 4 2HG2 ILE 4 -9.636 -2.129 3.317 29 HG23 ILE 4 3HG2 ILE 4 -9.499 -1.696 5.019 30 HD11 ILE 4 1HD1 ILE 4 -9.216 1.374 5.297 31 HD12 ILE 4 2HD1 ILE 4 -10.498 0.256 4.828 32 HD13 ILE 4 3HD1 ILE 4 -10.432 1.868 4.118 33 H CYS 5 HN CYS 5 -5.224 -1.061 3.429 34 HA CYS 5 HA CYS 5 -4.737 -3.620 4.538 35 HB2 CYS 5 2HB CYS 5 -3.008 -1.966 2.678 36 HB3 CYS 5 1HB CYS 5 -2.953 -3.715 2.882 37 H GLY 6 HN GLY 6 -2.769 -0.600 4.456 38 HA2 GLY 6 2HA GLY 6 -1.575 0.377 6.153 39 HA3 GLY 6 1HA GLY 6 -2.141 -0.885 7.234 40 H GLU 7 HN GLU 7 -0.702 -2.029 4.388 41 HA GLU 7 HA GLU 7 1.582 -2.881 5.931 42 HB2 GLU 7 2HB GLU 7 2.077 -4.350 3.972 43 HB3 GLU 7 1HB GLU 7 0.520 -4.673 4.712 44 HG2 GLU 7 2HG GLU 7 -0.564 -3.392 2.904 45 HG3 GLU 7 1HG GLU 7 1.018 -3.139 2.168 46 H THR 8 HN THR 8 3.717 -2.625 5.071 47 HA THR 8 HA THR 8 3.897 -0.103 3.711 48 HB THR 8 HB THR 8 6.357 -0.409 4.491 49 HG1 THR 8 1HG THR 8 6.511 -2.349 5.356 50 HG21 THR 8 1HG2 THR 8 4.037 0.052 6.351 51 HG22 THR 8 2HG2 THR 8 4.840 1.264 5.352 52 HG23 THR 8 3HG2 THR 8 5.703 0.520 6.708 53 H CYS 9 HN CYS 9 4.831 0.155 1.848 54 HA CYS 9 HA CYS 9 6.051 -2.141 0.599 55 HB2 CYS 9 2HB CYS 9 4.787 -1.627 -1.504 56 HB3 CYS 9 1HB CYS 9 3.792 -2.240 -0.189 57 H LEU 10 HN LEU 10 7.913 -1.021 1.125 58 HA LEU 10 HA LEU 10 8.455 1.581 0.057 59 HB2 LEU 10 2HB LEU 10 9.525 0.642 2.111 60 HB3 LEU 10 1HB LEU 10 10.383 -0.500 1.098 61 HG LEU 10 HG LEU 10 11.536 1.392 -0.012 62 HD11 LEU 10 1HD1 LEU 10 9.859 3.110 0.347 63 HD12 LEU 10 2HD1 LEU 10 11.417 3.608 1.012 64 HD13 LEU 10 3HD1 LEU 10 10.142 3.033 2.085 65 HD21 LEU 10 1HD2 LEU 10 11.791 1.321 2.992 66 HD22 LEU 10 2HD2 LEU 10 13.000 1.945 1.869 67 HD23 LEU 10 3HD2 LEU 10 12.591 0.231 1.861 68 H LEU 11 HN LEU 11 8.560 -1.610 -1.032 69 HA LEU 11 HA LEU 11 10.466 -1.298 -3.130 70 HB2 LEU 11 2HB LEU 11 8.340 -3.390 -2.721 71 HB3 LEU 11 1HB LEU 11 9.602 -3.461 -3.935 72 HG LEU 11 HG LEU 11 10.021 -3.516 -0.945 73 HD11 LEU 11 1HD1 LEU 11 10.323 -5.661 -3.033 74 HD12 LEU 11 2HD1 LEU 11 9.073 -5.579 -1.790 75 HD13 LEU 11 3HD1 LEU 11 10.762 -5.807 -1.333 76 HD21 LEU 11 1HD2 LEU 11 12.369 -4.002 -1.517 77 HD22 LEU 11 2HD2 LEU 11 11.871 -2.399 -2.044 78 HD23 LEU 11 3HD2 LEU 11 11.996 -3.710 -3.216 79 H GLY 12 HN GLY 12 7.133 -0.485 -2.806 80 HA2 GLY 12 2HA GLY 12 6.224 1.069 -4.370 81 HA3 GLY 12 1HA GLY 12 7.185 0.308 -5.629 82 H LYS 13 HN LYS 13 5.930 -2.179 -3.898 83 HA LYS 13 HA LYS 13 3.330 -2.157 -5.221 84 HB2 LYS 13 2HB LYS 13 5.005 -3.377 -6.660 85 HB3 LYS 13 1HB LYS 13 5.228 -4.501 -5.330 86 HG2 LYS 13 2HG LYS 13 2.809 -5.073 -5.478 87 HG3 LYS 13 1HG LYS 13 2.695 -4.041 -6.902 88 HD2 LYS 13 2HD LYS 13 2.965 -6.264 -7.697 89 HD3 LYS 13 1HD LYS 13 4.513 -5.455 -7.931 90 HE2 LYS 13 2HE LYS 13 4.940 -7.649 -7.050 91 HE3 LYS 13 1HE LYS 13 5.299 -6.482 -5.787 92 HZ1 LYS 13 1HZ LYS 13 3.087 -6.991 -4.788 93 HZ2 LYS 13 2HZ LYS 13 4.040 -8.369 -4.925 94 HZ3 LYS 13 3HZ LYS 13 2.827 -8.109 -6.021 95 H CYS 14 HN CYS 14 1.792 -3.305 -4.038 96 HA CYS 14 HA CYS 14 2.510 -3.904 -1.307 97 HB2 CYS 14 2HB CYS 14 -0.149 -4.124 -2.732 98 HB3 CYS 14 1HB CYS 14 0.113 -4.209 -0.996 99 H TYR 15 HN TYR 15 1.561 -5.933 -0.375 100 HA TYR 15 HA TYR 15 2.042 -8.131 -2.201 101 HB2 TYR 15 2HB TYR 15 2.304 -7.920 0.796 102 HB3 TYR 15 1HB TYR 15 2.293 -9.475 -0.033 103 HD1 TYR 15 1HD TYR 15 4.139 -6.259 0.244 104 HD2 TYR 15 2HD TYR 15 4.203 -10.264 -1.173 105 HE1 TYR 15 1HE TYR 15 6.522 -6.021 -0.301 106 HE2 TYR 15 2HE TYR 15 6.581 -10.046 -1.710 107 HH TYR 15 HH TYR 15 8.124 -8.114 -2.297 108 H THR 16 HN THR 16 -0.331 -6.611 -0.223 109 HA THR 16 HA THR 16 -2.242 -8.733 -0.703 110 HB THR 16 HB THR 16 -2.654 -5.908 0.357 111 HG1 THR 16 1HG THR 16 -1.633 -6.935 1.906 112 HG21 THR 16 1HG2 THR 16 -4.874 -6.687 1.082 113 HG22 THR 16 2HG2 THR 16 -4.574 -8.255 0.339 114 HG23 THR 16 3HG2 THR 16 -4.714 -6.816 -0.669 115 HA PRO 17 HA PRO 17 -2.936 -7.065 -4.810 116 HB2 PRO 17 2HB PRO 17 -4.816 -8.866 -5.596 117 HB3 PRO 17 1HB PRO 17 -3.090 -9.240 -5.560 118 HG2 PRO 17 2HG PRO 17 -5.224 -9.952 -3.596 119 HG3 PRO 17 1HG PRO 17 -3.860 -10.925 -4.171 120 HD2 PRO 17 2HD PRO 17 -3.888 -9.628 -1.772 121 HD3 PRO 17 1HD PRO 17 -2.400 -9.979 -2.673 122 H GLY 18 HN GLY 18 -4.235 -5.450 -5.388 123 HA2 GLY 18 2HA GLY 18 -6.413 -4.550 -5.831 124 HA3 GLY 18 1HA GLY 18 -7.012 -5.425 -4.425 125 H CYS 19 HN CYS 19 -4.071 -4.126 -3.739 126 HA CYS 19 HA CYS 19 -5.274 -1.732 -2.550 127 HB2 CYS 19 2HB CYS 19 -4.514 -3.832 -1.105 128 HB3 CYS 19 1HB CYS 19 -2.913 -3.166 -1.375 129 H SER 20 HN SER 20 -4.166 0.133 -3.137 130 HA SER 20 HA SER 20 -2.070 -0.277 -5.088 131 HB2 SER 20 2HB SER 20 -4.006 1.148 -5.684 132 HB3 SER 20 1HB SER 20 -3.587 2.235 -4.363 133 HG SER 20 HG SER 20 -2.834 2.844 -6.482 134 H CYS 21 HN CYS 21 -0.059 0.541 -4.903 135 HA CYS 21 HA CYS 21 0.718 1.101 -2.164 136 HB2 CYS 21 2HB CYS 21 1.854 -0.751 -3.226 137 HB3 CYS 21 1HB CYS 21 2.365 0.290 -4.549 138 H ARG 22 HN ARG 22 0.960 3.127 -1.625 139 HA ARG 22 HA ARG 22 2.215 4.919 -3.558 140 HB2 ARG 22 2HB ARG 22 0.455 5.620 -1.178 141 HB3 ARG 22 1HB ARG 22 1.247 6.772 -2.223 142 HG2 ARG 22 2HG ARG 22 -0.883 4.848 -3.146 143 HG3 ARG 22 1HG ARG 22 -1.188 6.507 -2.644 144 HD2 ARG 22 2HD ARG 22 -1.105 6.486 -5.035 145 HD3 ARG 22 1HD ARG 22 0.371 7.252 -4.468 146 HE ARG 22 HE ARG 22 0.857 4.509 -4.876 147 HH11 ARG 22 1HH1 ARG 22 0.264 7.442 -6.773 148 HH12 ARG 22 2HH1 ARG 22 1.045 6.839 -8.163 149 HH21 ARG 22 1HH2 ARG 22 1.951 3.732 -6.753 150 HH22 ARG 22 2HH2 ARG 22 2.022 4.716 -8.149 151 H ARG 23 HN ARG 23 4.199 4.171 -3.047 152 HA ARG 23 HA ARG 23 5.055 3.232 -0.691 153 HB2 ARG 23 2HB ARG 23 7.381 3.534 -1.431 154 HB3 ARG 23 1HB ARG 23 6.347 2.862 -2.674 155 HG2 ARG 23 2HG ARG 23 6.277 5.027 -3.794 156 HG3 ARG 23 1HG ARG 23 7.268 5.723 -2.510 157 HD2 ARG 23 2HD ARG 23 9.051 4.112 -3.031 158 HD3 ARG 23 1HD ARG 23 8.072 3.468 -4.343 159 HE ARG 23 HE ARG 23 8.247 6.093 -4.918 160 HH11 ARG 23 1HH1 ARG 23 10.627 3.539 -4.315 161 HH12 ARG 23 2HH1 ARG 23 11.889 4.288 -5.163 162 HH21 ARG 23 1HH2 ARG 23 9.982 7.098 -6.175 163 HH22 ARG 23 2HH2 ARG 23 11.506 6.344 -6.276 164 HA PRO 24 HA PRO 24 6.405 2.817 0.603 165 HB2 PRO 24 2HB PRO 24 7.039 2.738 3.148 166 HB3 PRO 24 1HB PRO 24 8.099 3.536 1.979 167 HG2 PRO 24 2HG PRO 24 6.246 4.743 3.973 168 HG3 PRO 24 1HG PRO 24 7.822 5.319 3.409 169 HD2 PRO 24 2HD PRO 24 5.272 6.160 2.494 170 HD3 PRO 24 1HD PRO 24 6.848 6.560 1.780 171 H VAL 25 HN VAL 25 3.534 4.240 1.262 172 HA VAL 25 HA VAL 25 2.738 2.125 3.141 173 HB VAL 25 HB VAL 25 1.334 4.793 2.789 174 HG11 VAL 25 1HG1 VAL 25 0.137 4.188 4.845 175 HG12 VAL 25 2HG1 VAL 25 0.961 2.627 4.859 176 HG13 VAL 25 3HG1 VAL 25 -0.154 3.023 3.552 177 HG21 VAL 25 1HG2 VAL 25 3.534 5.141 3.791 178 HG22 VAL 25 2HG2 VAL 25 3.184 3.910 5.007 179 HG23 VAL 25 3HG2 VAL 25 2.258 5.409 4.980 180 H CYS 26 HN CYS 26 1.114 0.789 2.607 181 HA CYS 26 HA CYS 26 0.110 0.988 -0.101 182 HB2 CYS 26 2HB CYS 26 1.090 -1.108 0.767 183 HB3 CYS 26 1HB CYS 26 -0.195 -1.181 1.965 184 H TYR 27 HN TYR 27 -1.895 1.636 -0.591 185 HA TYR 27 HA TYR 27 -3.816 2.056 1.599 186 HB2 TYR 27 2HB TYR 27 -3.239 3.871 -0.737 187 HB3 TYR 27 1HB TYR 27 -4.578 4.064 0.376 188 HD1 TYR 27 1HD TYR 27 -1.073 4.615 -0.233 189 HD2 TYR 27 2HD TYR 27 -4.105 4.729 2.722 190 HE1 TYR 27 1HE TYR 27 0.338 6.074 1.143 191 HE2 TYR 27 2HE TYR 27 -2.720 6.177 4.112 192 HH TYR 27 HH TYR 27 -0.325 6.690 4.385 193 H LYS 28 HN LYS 28 -5.892 1.660 1.112 194 HA LYS 28 HA LYS 28 -6.475 0.672 -1.563 195 HB2 LYS 28 2HB LYS 28 -6.866 -1.113 -0.021 196 HB3 LYS 28 1HB LYS 28 -7.677 -0.037 1.117 197 HG2 LYS 28 2HG LYS 28 -9.568 0.190 -0.387 198 HG3 LYS 28 1HG LYS 28 -8.733 -0.782 -1.596 199 HD2 LYS 28 2HD LYS 28 -9.367 -1.845 1.144 200 HD3 LYS 28 1HD LYS 28 -10.521 -1.946 -0.186 201 HE2 LYS 28 2HE LYS 28 -7.711 -3.051 -0.262 202 HE3 LYS 28 1HE LYS 28 -9.148 -3.999 0.108 203 HZ1 LYS 28 1HZ LYS 28 -10.021 -3.474 -2.087 204 HZ2 LYS 28 2HZ LYS 28 -8.531 -4.211 -2.225 205 HZ3 LYS 28 3HZ LYS 28 -8.664 -2.570 -2.477 206 H ASN 29 HN ASN 29 -7.318 2.190 -2.671 207 HA ASN 29 HA ASN 29 -8.514 3.912 -3.424 208 HB2 ASN 29 2HB ASN 29 -10.322 3.370 -1.044 209 HB3 ASN 29 1HB ASN 29 -10.679 4.559 -2.286 210 HD21 ASN 29 1HD2 ASN 29 -12.519 3.578 -3.011 211 HD22 ASN 29 2HD2 ASN 29 -12.513 2.088 -3.870 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 -6.751 3.746 -1.036 2 HA2 GLY 1 2HA GLY 1 -5.870 6.077 -0.963 3 HA3 GLY 1 1HA GLY 1 -7.543 6.583 -0.790 4 H LEU 2 HN LEU 2 -7.583 3.922 0.992 5 HA LEU 2 HA LEU 2 -6.717 5.358 3.394 6 HB2 LEU 2 2HB LEU 2 -8.779 3.167 3.076 7 HB3 LEU 2 1HB LEU 2 -8.202 3.705 4.636 8 HG LEU 2 HG LEU 2 -10.313 4.667 4.296 9 HD11 LEU 2 1HD1 LEU 2 -8.737 6.174 5.300 10 HD12 LEU 2 2HD1 LEU 2 -9.918 7.049 4.329 11 HD13 LEU 2 3HD1 LEU 2 -8.287 6.800 3.712 12 HD21 LEU 2 1HD2 LEU 2 -10.883 6.050 2.342 13 HD22 LEU 2 2HD2 LEU 2 -10.568 4.364 1.930 14 HD23 LEU 2 3HD2 LEU 2 -9.346 5.594 1.604 15 HA PRO 3 HA PRO 3 -3.575 2.271 3.832 16 HB2 PRO 3 2HB PRO 3 -3.458 2.599 6.706 17 HB3 PRO 3 1HB PRO 3 -2.369 3.262 5.489 18 HG2 PRO 3 2HG PRO 3 -4.051 4.802 7.004 19 HG3 PRO 3 1HG PRO 3 -3.493 5.258 5.388 20 HD2 PRO 3 2HD PRO 3 -6.085 4.026 6.230 21 HD3 PRO 3 1HD PRO 3 -5.785 5.345 5.081 22 H ILE 4 HN ILE 4 -6.193 1.195 3.871 23 HA ILE 4 HA ILE 4 -6.917 -0.430 6.058 24 HB ILE 4 HB ILE 4 -7.497 -0.998 3.135 25 HG12 ILE 4 2HG1 ILE 4 -8.138 1.298 3.685 26 HG13 ILE 4 1HG1 ILE 4 -9.559 0.301 3.406 27 HG21 ILE 4 1HG2 ILE 4 -9.521 -2.104 3.954 28 HG22 ILE 4 2HG2 ILE 4 -9.022 -1.785 5.614 29 HG23 ILE 4 3HG2 ILE 4 -8.058 -2.855 4.597 30 HD11 ILE 4 1HD1 ILE 4 -9.889 0.134 5.830 31 HD12 ILE 4 2HD1 ILE 4 -9.904 1.806 5.269 32 HD13 ILE 4 3HD1 ILE 4 -8.478 1.164 6.085 33 H CYS 5 HN CYS 5 -4.670 -0.969 3.453 34 HA CYS 5 HA CYS 5 -4.439 -3.791 3.759 35 HB2 CYS 5 2HB CYS 5 -2.449 -1.871 2.546 36 HB3 CYS 5 1HB CYS 5 -2.604 -3.598 2.212 37 H GLY 6 HN GLY 6 -2.911 -0.995 5.205 38 HA2 GLY 6 2HA GLY 6 -1.661 -0.787 7.085 39 HA3 GLY 6 1HA GLY 6 -1.873 -2.506 7.363 40 H GLU 7 HN GLU 7 -0.638 -2.094 4.338 41 HA GLU 7 HA GLU 7 1.941 -3.076 5.226 42 HB2 GLU 7 2HB GLU 7 0.857 -2.759 2.441 43 HB3 GLU 7 1HB GLU 7 2.335 -3.575 2.895 44 HG2 GLU 7 2HG GLU 7 1.031 -5.216 4.114 45 HG3 GLU 7 1HG GLU 7 -0.454 -4.411 3.592 46 H THR 8 HN THR 8 3.850 -2.258 4.334 47 HA THR 8 HA THR 8 3.696 0.479 3.411 48 HB THR 8 HB THR 8 6.146 0.423 4.299 49 HG1 THR 8 1HG THR 8 5.010 -1.255 6.258 50 HG21 THR 8 1HG2 THR 8 5.356 1.263 6.500 51 HG22 THR 8 2HG2 THR 8 3.734 0.658 6.098 52 HG23 THR 8 3HG2 THR 8 4.472 1.934 5.127 53 H CYS 9 HN CYS 9 4.694 0.842 1.526 54 HA CYS 9 HA CYS 9 5.891 -1.540 0.388 55 HB2 CYS 9 2HB CYS 9 5.092 -0.829 -1.858 56 HB3 CYS 9 1HB CYS 9 3.812 -1.233 -0.724 57 H LEU 10 HN LEU 10 7.834 -0.838 1.246 58 HA LEU 10 HA LEU 10 9.202 1.379 0.030 59 HB2 LEU 10 2HB LEU 10 10.332 -1.020 1.475 60 HB3 LEU 10 1HB LEU 10 11.205 0.443 1.079 61 HG LEU 10 HG LEU 10 8.944 0.185 3.054 62 HD11 LEU 10 1HD1 LEU 10 10.681 0.727 4.694 63 HD12 LEU 10 2HD1 LEU 10 11.878 0.728 3.400 64 HD13 LEU 10 3HD1 LEU 10 11.035 -0.760 3.815 65 HD21 LEU 10 1HD2 LEU 10 10.566 2.605 2.265 66 HD22 LEU 10 2HD2 LEU 10 9.417 2.534 3.599 67 HD23 LEU 10 3HD2 LEU 10 8.851 2.356 1.939 68 H LEU 11 HN LEU 11 8.747 -1.999 -0.524 69 HA LEU 11 HA LEU 11 10.725 -2.302 -2.559 70 HB2 LEU 11 2HB LEU 11 8.286 -3.972 -1.955 71 HB3 LEU 11 1HB LEU 11 9.606 -4.429 -3.013 72 HG LEU 11 HG LEU 11 9.870 -3.969 -0.044 73 HD11 LEU 11 1HD1 LEU 11 8.530 -5.936 -0.539 74 HD12 LEU 11 2HD1 LEU 11 10.111 -6.391 0.092 75 HD13 LEU 11 3HD1 LEU 11 9.779 -6.524 -1.636 76 HD21 LEU 11 1HD2 LEU 11 11.813 -5.048 -2.087 77 HD22 LEU 11 2HD2 LEU 11 12.074 -5.002 -0.345 78 HD23 LEU 11 3HD2 LEU 11 11.931 -3.498 -1.250 79 H GLY 12 HN GLY 12 7.597 -0.963 -2.487 80 HA2 GLY 12 2HA GLY 12 6.808 0.395 -4.267 81 HA3 GLY 12 1HA GLY 12 7.717 -0.609 -5.387 82 H LYS 13 HN LYS 13 6.410 -2.878 -3.604 83 HA LYS 13 HA LYS 13 3.798 -2.838 -4.919 84 HB2 LYS 13 2HB LYS 13 5.285 -4.206 -6.301 85 HB3 LYS 13 1HB LYS 13 5.741 -5.163 -4.904 86 HG2 LYS 13 2HG LYS 13 3.365 -5.883 -4.697 87 HG3 LYS 13 1HG LYS 13 3.026 -5.034 -6.201 88 HD2 LYS 13 2HD LYS 13 4.644 -6.470 -7.365 89 HD3 LYS 13 1HD LYS 13 4.974 -7.311 -5.851 90 HE2 LYS 13 2HE LYS 13 2.648 -8.024 -5.719 91 HE3 LYS 13 1HE LYS 13 2.287 -7.171 -7.214 92 HZ1 LYS 13 1HZ LYS 13 4.119 -9.485 -6.914 93 HZ2 LYS 13 2HZ LYS 13 3.841 -8.643 -8.356 94 HZ3 LYS 13 3HZ LYS 13 2.591 -9.484 -7.633 95 H CYS 14 HN CYS 14 2.188 -3.674 -3.724 96 HA CYS 14 HA CYS 14 2.748 -4.367 -0.947 97 HB2 CYS 14 2HB CYS 14 0.132 -3.776 -2.342 98 HB3 CYS 14 1HB CYS 14 0.418 -3.840 -0.604 99 H TYR 15 HN TYR 15 1.400 -6.215 -0.042 100 HA TYR 15 HA TYR 15 1.337 -8.320 -2.044 101 HB2 TYR 15 2HB TYR 15 1.340 -8.510 0.972 102 HB3 TYR 15 1HB TYR 15 1.409 -9.876 -0.141 103 HD1 TYR 15 1HD TYR 15 3.264 -7.216 1.453 104 HD2 TYR 15 2HD TYR 15 3.421 -10.209 -1.542 105 HE1 TYR 15 1HE TYR 15 5.709 -6.977 1.359 106 HE2 TYR 15 2HE TYR 15 5.851 -9.997 -1.652 107 HH TYR 15 HH TYR 15 7.525 -8.222 -1.151 108 H THR 16 HN THR 16 -0.718 -6.262 -0.411 109 HA THR 16 HA THR 16 -2.984 -8.039 -0.430 110 HB THR 16 HB THR 16 -2.922 -5.025 -0.108 111 HG1 THR 16 1HG THR 16 -1.644 -5.791 1.434 112 HG21 THR 16 1HG2 THR 16 -4.910 -7.108 0.833 113 HG22 THR 16 2HG2 THR 16 -5.154 -6.002 -0.517 114 HG23 THR 16 3HG2 THR 16 -5.019 -5.371 1.126 115 HA PRO 17 HA PRO 17 -3.700 -6.945 -4.803 116 HB2 PRO 17 2HB PRO 17 -6.026 -8.710 -4.580 117 HB3 PRO 17 1HB PRO 17 -4.600 -8.889 -5.602 118 HG2 PRO 17 2HG PRO 17 -5.068 -10.509 -3.491 119 HG3 PRO 17 1HG PRO 17 -3.435 -10.060 -4.013 120 HD2 PRO 17 2HD PRO 17 -5.055 -8.967 -1.737 121 HD3 PRO 17 1HD PRO 17 -3.328 -9.385 -1.825 122 H GLY 18 HN GLY 18 -4.908 -5.343 -5.538 123 HA2 GLY 18 2HA GLY 18 -6.822 -4.011 -5.821 124 HA3 GLY 18 1HA GLY 18 -7.541 -4.798 -4.414 125 H CYS 19 HN CYS 19 -4.326 -3.751 -4.160 126 HA CYS 19 HA CYS 19 -5.139 -1.459 -2.519 127 HB2 CYS 19 2HB CYS 19 -4.233 -3.535 -1.354 128 HB3 CYS 19 1HB CYS 19 -2.706 -3.209 -2.159 129 H SER 20 HN SER 20 -3.929 0.436 -2.867 130 HA SER 20 HA SER 20 -2.209 0.372 -5.206 131 HB2 SER 20 2HB SER 20 -4.227 1.780 -5.360 132 HB3 SER 20 1HB SER 20 -3.721 2.662 -3.924 133 HG SER 20 HG SER 20 -2.200 2.509 -6.326 134 H CYS 21 HN CYS 21 -0.144 0.571 -4.872 135 HA CYS 21 HA CYS 21 0.944 1.325 -2.340 136 HB2 CYS 21 2HB CYS 21 2.102 -0.406 -3.531 137 HB3 CYS 21 1HB CYS 21 2.234 0.597 -4.972 138 H ARG 22 HN ARG 22 0.921 3.361 -1.799 139 HA ARG 22 HA ARG 22 2.049 5.262 -3.695 140 HB2 ARG 22 2HB ARG 22 0.094 5.921 -1.445 141 HB3 ARG 22 1HB ARG 22 0.743 7.043 -2.624 142 HG2 ARG 22 2HG ARG 22 -1.097 4.743 -3.276 143 HG3 ARG 22 1HG ARG 22 -1.596 6.422 -3.093 144 HD2 ARG 22 2HD ARG 22 -0.312 7.076 -5.024 145 HD3 ARG 22 1HD ARG 22 0.442 5.485 -5.119 146 HE ARG 22 HE ARG 22 -2.047 4.758 -5.402 147 HH11 ARG 22 1HH1 ARG 22 -0.508 7.546 -6.968 148 HH12 ARG 22 2HH1 ARG 22 -1.518 7.482 -8.332 149 HH21 ARG 22 1HH2 ARG 22 -3.388 4.697 -7.244 150 HH22 ARG 22 2HH2 ARG 22 -3.197 5.812 -8.508 151 H ARG 23 HN ARG 23 4.048 4.795 -3.025 152 HA ARG 23 HA ARG 23 4.671 3.937 -0.496 153 HB2 ARG 23 2HB ARG 23 7.040 4.079 -1.064 154 HB3 ARG 23 1HB ARG 23 6.114 3.425 -2.393 155 HG2 ARG 23 2HG ARG 23 6.290 5.530 -3.564 156 HG3 ARG 23 1HG ARG 23 7.150 6.237 -2.189 157 HD2 ARG 23 2HD ARG 23 8.064 3.878 -3.835 158 HD3 ARG 23 1HD ARG 23 8.714 5.514 -3.921 159 HE ARG 23 HE ARG 23 9.019 4.868 -1.324 160 HH11 ARG 23 1HH1 ARG 23 10.091 3.364 -4.334 161 HH12 ARG 23 2HH1 ARG 23 11.468 2.619 -3.664 162 HH21 ARG 23 1HH2 ARG 23 10.891 3.858 -0.377 163 HH22 ARG 23 2HH2 ARG 23 11.919 2.874 -1.317 164 HA PRO 24 HA PRO 24 6.368 3.758 0.754 165 HB2 PRO 24 2HB PRO 24 6.818 3.829 3.354 166 HB3 PRO 24 1HB PRO 24 7.834 4.733 2.225 167 HG2 PRO 24 2HG PRO 24 5.667 5.717 4.025 168 HG3 PRO 24 1HG PRO 24 7.198 6.492 3.587 169 HD2 PRO 24 2HD PRO 24 4.682 7.015 2.437 170 HD3 PRO 24 1HD PRO 24 6.253 7.516 1.785 171 H VAL 25 HN VAL 25 3.208 4.591 1.156 172 HA VAL 25 HA VAL 25 2.732 2.312 2.958 173 HB VAL 25 HB VAL 25 1.083 4.867 2.896 174 HG11 VAL 25 1HG1 VAL 25 -0.113 3.953 4.829 175 HG12 VAL 25 2HG1 VAL 25 0.797 2.450 4.682 176 HG13 VAL 25 3HG1 VAL 25 -0.317 2.935 3.402 177 HG21 VAL 25 1HG2 VAL 25 3.236 5.199 3.985 178 HG22 VAL 25 2HG2 VAL 25 2.929 3.813 5.035 179 HG23 VAL 25 3HG2 VAL 25 1.918 5.253 5.156 180 H CYS 26 HN CYS 26 1.037 0.934 2.504 181 HA CYS 26 HA CYS 26 0.022 1.049 -0.205 182 HB2 CYS 26 2HB CYS 26 -0.235 -1.032 1.953 183 HB3 CYS 26 1HB CYS 26 -0.841 -1.208 0.309 184 H TYR 27 HN TYR 27 -1.830 1.959 -0.660 185 HA TYR 27 HA TYR 27 -3.824 2.289 1.462 186 HB2 TYR 27 2HB TYR 27 -3.221 4.073 -0.903 187 HB3 TYR 27 1HB TYR 27 -4.576 4.284 0.189 188 HD1 TYR 27 1HD TYR 27 -4.205 5.134 2.467 189 HD2 TYR 27 2HD TYR 27 -0.980 4.679 -0.258 190 HE1 TYR 27 1HE TYR 27 -2.827 6.589 3.871 191 HE2 TYR 27 2HE TYR 27 0.414 6.127 1.137 192 HH TYR 27 HH TYR 27 -0.395 6.984 4.301 193 H LYS 28 HN LYS 28 -5.585 1.205 1.113 194 HA LYS 28 HA LYS 28 -6.264 0.214 -1.543 195 HB2 LYS 28 2HB LYS 28 -6.440 -1.356 0.352 196 HB3 LYS 28 1HB LYS 28 -7.574 -0.271 1.162 197 HG2 LYS 28 2HG LYS 28 -9.131 -0.605 -0.753 198 HG3 LYS 28 1HG LYS 28 -8.005 -1.788 -1.407 199 HD2 LYS 28 2HD LYS 28 -9.379 -1.976 1.283 200 HD3 LYS 28 1HD LYS 28 -9.876 -2.833 -0.170 201 HE2 LYS 28 2HE LYS 28 -7.656 -3.973 -0.187 202 HE3 LYS 28 1HE LYS 28 -7.275 -3.172 1.336 203 HZ1 LYS 28 1HZ LYS 28 -9.498 -5.075 0.865 204 HZ2 LYS 28 2HZ LYS 28 -9.239 -4.285 2.316 205 HZ3 LYS 28 3HZ LYS 28 -8.119 -5.408 1.770 206 H ASN 29 HN ASN 29 -7.268 1.663 -2.738 207 HA ASN 29 HA ASN 29 -8.652 3.248 -3.511 208 HB2 ASN 29 2HB ASN 29 -10.312 2.531 -1.085 209 HB3 ASN 29 1HB ASN 29 -10.820 3.747 -2.245 210 HD21 ASN 29 1HD2 ASN 29 -12.607 2.618 -2.855 211 HD22 ASN 29 2HD2 ASN 29 -12.567 1.197 -3.819 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 -6.638 3.875 -1.155 2 HA2 GLY 1 2HA GLY 1 -5.550 5.966 -0.692 3 HA3 GLY 1 1HA GLY 1 -7.139 6.706 -0.550 4 H LEU 2 HN LEU 2 -7.559 3.914 0.992 5 HA LEU 2 HA LEU 2 -6.880 5.122 3.567 6 HB2 LEU 2 2HB LEU 2 -8.880 2.950 2.888 7 HB3 LEU 2 1HB LEU 2 -8.504 3.448 4.520 8 HG LEU 2 HG LEU 2 -10.565 4.409 3.995 9 HD11 LEU 2 1HD1 LEU 2 -10.212 6.807 4.069 10 HD12 LEU 2 2HD1 LEU 2 -8.521 6.562 3.641 11 HD13 LEU 2 3HD1 LEU 2 -9.146 5.925 5.164 12 HD21 LEU 2 1HD2 LEU 2 -9.401 5.442 1.410 13 HD22 LEU 2 2HD2 LEU 2 -11.024 5.783 2.014 14 HD23 LEU 2 3HD2 LEU 2 -10.573 4.134 1.581 15 HA PRO 3 HA PRO 3 -3.714 2.010 4.103 16 HB2 PRO 3 2HB PRO 3 -3.386 2.207 6.782 17 HB3 PRO 3 1HB PRO 3 -2.854 3.481 5.675 18 HG2 PRO 3 2HG PRO 3 -5.372 3.309 7.293 19 HG3 PRO 3 1HG PRO 3 -4.258 4.677 7.110 20 HD2 PRO 3 2HD PRO 3 -6.553 4.526 5.703 21 HD3 PRO 3 1HD PRO 3 -5.075 5.225 5.017 22 H ILE 4 HN ILE 4 -6.297 0.954 3.893 23 HA ILE 4 HA ILE 4 -7.140 -0.732 6.019 24 HB ILE 4 HB ILE 4 -7.679 -0.854 3.045 25 HG12 ILE 4 2HG1 ILE 4 -8.434 1.218 4.031 26 HG13 ILE 4 1HG1 ILE 4 -9.821 0.224 3.597 27 HG21 ILE 4 1HG2 ILE 4 -9.636 -2.209 3.548 28 HG22 ILE 4 2HG2 ILE 4 -9.151 -2.269 5.245 29 HG23 ILE 4 3HG2 ILE 4 -8.133 -3.012 4.008 30 HD11 ILE 4 1HD1 ILE 4 -10.178 1.311 5.721 31 HD12 ILE 4 2HD1 ILE 4 -8.691 0.628 6.364 32 HD13 ILE 4 3HD1 ILE 4 -10.045 -0.430 5.963 33 H CYS 5 HN CYS 5 -4.817 -1.079 3.487 34 HA CYS 5 HA CYS 5 -4.654 -3.876 3.339 35 HB2 CYS 5 2HB CYS 5 -2.408 -1.941 2.784 36 HB3 CYS 5 1HB CYS 5 -2.759 -3.481 2.000 37 H GLY 6 HN GLY 6 -2.778 -1.456 5.194 38 HA2 GLY 6 2HA GLY 6 -1.805 -1.708 7.257 39 HA3 GLY 6 1HA GLY 6 -2.207 -3.421 7.230 40 H GLU 7 HN GLU 7 -0.593 -1.830 4.634 41 HA GLU 7 HA GLU 7 1.953 -2.915 5.412 42 HB2 GLU 7 2HB GLU 7 2.202 -3.899 3.069 43 HB3 GLU 7 1HB GLU 7 1.183 -4.780 4.195 44 HG2 GLU 7 2HG GLU 7 -0.782 -3.669 3.142 45 HG3 GLU 7 1HG GLU 7 0.320 -3.013 1.930 46 H THR 8 HN THR 8 3.680 -2.144 3.941 47 HA THR 8 HA THR 8 2.968 0.522 2.994 48 HB THR 8 HB THR 8 5.338 1.131 3.629 49 HG1 THR 8 1HG THR 8 5.364 -0.914 5.473 50 HG21 THR 8 1HG2 THR 8 4.834 1.368 6.020 51 HG22 THR 8 2HG2 THR 8 3.473 0.254 5.828 52 HG23 THR 8 3HG2 THR 8 3.464 1.820 5.003 53 H CYS 9 HN CYS 9 5.011 1.330 1.650 54 HA CYS 9 HA CYS 9 5.715 -0.807 -0.175 55 HB2 CYS 9 2HB CYS 9 5.087 2.054 -0.895 56 HB3 CYS 9 1HB CYS 9 5.870 0.892 -1.960 57 H LEU 10 HN LEU 10 7.567 -0.988 1.238 58 HA LEU 10 HA LEU 10 9.524 1.125 0.816 59 HB2 LEU 10 2HB LEU 10 9.748 -1.462 2.359 60 HB3 LEU 10 1HB LEU 10 11.014 -0.260 2.245 61 HG LEU 10 HG LEU 10 8.321 0.144 3.553 62 HD11 LEU 10 1HD1 LEU 10 9.769 -1.335 4.821 63 HD12 LEU 10 2HD1 LEU 10 9.595 0.225 5.626 64 HD13 LEU 10 3HD1 LEU 10 11.073 -0.148 4.739 65 HD21 LEU 10 1HD2 LEU 10 10.712 1.979 3.344 66 HD22 LEU 10 2HD2 LEU 10 9.293 2.269 4.344 67 HD23 LEU 10 3HD2 LEU 10 9.135 2.226 2.589 68 H LEU 11 HN LEU 11 8.661 -2.010 -0.325 69 HA LEU 11 HA LEU 11 11.047 -2.160 -2.004 70 HB2 LEU 11 2HB LEU 11 8.722 -4.086 -1.733 71 HB3 LEU 11 1HB LEU 11 10.151 -4.353 -2.701 72 HG LEU 11 HG LEU 11 10.123 -4.102 0.303 73 HD11 LEU 11 1HD1 LEU 11 9.036 -6.141 -0.438 74 HD12 LEU 11 2HD1 LEU 11 10.604 -6.501 0.284 75 HD13 LEU 11 3HD1 LEU 11 10.414 -6.519 -1.470 76 HD21 LEU 11 1HD2 LEU 11 12.343 -4.840 -1.606 77 HD22 LEU 11 2HD2 LEU 11 12.439 -4.901 0.153 78 HD23 LEU 11 3HD2 LEU 11 12.231 -3.353 -0.664 79 H GLY 12 HN GLY 12 7.761 -1.267 -2.084 80 HA2 GLY 12 2HA GLY 12 7.003 0.304 -3.758 81 HA3 GLY 12 1HA GLY 12 8.106 -0.455 -4.893 82 H LYS 13 HN LYS 13 6.325 -2.596 -2.945 83 HA LYS 13 HA LYS 13 4.254 -2.904 -4.966 84 HB2 LYS 13 2HB LYS 13 6.085 -4.420 -5.652 85 HB3 LYS 13 1HB LYS 13 6.025 -5.193 -4.074 86 HG2 LYS 13 2HG LYS 13 3.676 -5.856 -4.548 87 HG3 LYS 13 1HG LYS 13 3.857 -5.190 -6.168 88 HD2 LYS 13 2HD LYS 13 5.665 -6.783 -6.613 89 HD3 LYS 13 1HD LYS 13 5.483 -7.434 -4.982 90 HE2 LYS 13 2HE LYS 13 3.369 -7.441 -7.128 91 HE3 LYS 13 1HE LYS 13 4.359 -8.821 -6.661 92 HZ1 LYS 13 1HZ LYS 13 3.368 -8.757 -4.464 93 HZ2 LYS 13 2HZ LYS 13 2.182 -8.898 -5.621 94 HZ3 LYS 13 3HZ LYS 13 2.418 -7.421 -4.869 95 H CYS 14 HN CYS 14 2.353 -3.599 -4.134 96 HA CYS 14 HA CYS 14 2.219 -4.026 -1.280 97 HB2 CYS 14 2HB CYS 14 0.047 -3.804 -3.384 98 HB3 CYS 14 1HB CYS 14 -0.232 -3.958 -1.653 99 H TYR 15 HN TYR 15 0.972 -5.849 -0.513 100 HA TYR 15 HA TYR 15 1.374 -8.197 -2.209 101 HB2 TYR 15 2HB TYR 15 1.617 -7.923 0.787 102 HB3 TYR 15 1HB TYR 15 1.619 -9.474 -0.051 103 HD1 TYR 15 1HD TYR 15 3.385 -9.781 -1.864 104 HD2 TYR 15 2HD TYR 15 3.650 -6.780 1.108 105 HE1 TYR 15 1HE TYR 15 5.794 -9.613 -2.286 106 HE2 TYR 15 2HE TYR 15 6.077 -6.586 0.704 107 HH TYR 15 HH TYR 15 7.595 -7.876 -1.999 108 H THR 16 HN THR 16 -0.769 -6.412 -0.177 109 HA THR 16 HA THR 16 -2.846 -8.402 -0.309 110 HB THR 16 HB THR 16 -2.914 -5.494 0.573 111 HG1 THR 16 1HG THR 16 -1.634 -6.666 1.958 112 HG21 THR 16 1HG2 THR 16 -5.030 -6.078 1.696 113 HG22 THR 16 2HG2 THR 16 -4.938 -7.705 1.027 114 HG23 THR 16 3HG2 THR 16 -5.156 -6.323 -0.046 115 HA PRO 17 HA PRO 17 -4.070 -7.058 -4.407 116 HB2 PRO 17 2HB PRO 17 -6.421 -8.431 -4.551 117 HB3 PRO 17 1HB PRO 17 -4.846 -9.195 -4.781 118 HG2 PRO 17 2HG PRO 17 -6.585 -9.138 -2.349 119 HG3 PRO 17 1HG PRO 17 -5.657 -10.487 -3.029 120 HD2 PRO 17 2HD PRO 17 -4.796 -9.051 -0.908 121 HD3 PRO 17 1HD PRO 17 -3.677 -9.761 -2.092 122 H GLY 18 HN GLY 18 -5.375 -5.513 -5.260 123 HA2 GLY 18 2HA GLY 18 -7.210 -4.058 -5.406 124 HA3 GLY 18 1HA GLY 18 -7.734 -4.594 -3.816 125 H CYS 19 HN CYS 19 -4.544 -4.000 -3.609 126 HA CYS 19 HA CYS 19 -5.041 -1.387 -2.422 127 HB2 CYS 19 2HB CYS 19 -2.947 -3.477 -1.937 128 HB3 CYS 19 1HB CYS 19 -2.864 -1.858 -1.256 129 H SER 20 HN SER 20 -4.224 0.359 -3.310 130 HA SER 20 HA SER 20 -2.342 0.078 -5.483 131 HB2 SER 20 2HB SER 20 -2.890 2.522 -5.829 132 HB3 SER 20 1HB SER 20 -4.240 1.406 -6.025 133 HG SER 20 HG SER 20 -3.996 2.209 -3.455 134 H CYS 21 HN CYS 21 -0.285 0.474 -5.233 135 HA CYS 21 HA CYS 21 0.824 1.189 -2.725 136 HB2 CYS 21 2HB CYS 21 1.850 -0.472 -4.180 137 HB3 CYS 21 1HB CYS 21 2.069 0.733 -5.440 138 H ARG 22 HN ARG 22 1.378 3.164 -2.011 139 HA ARG 22 HA ARG 22 1.982 5.307 -3.916 140 HB2 ARG 22 2HB ARG 22 0.317 5.715 -1.420 141 HB3 ARG 22 1HB ARG 22 0.740 6.912 -2.619 142 HG2 ARG 22 2HG ARG 22 -0.709 5.828 -4.247 143 HG3 ARG 22 1HG ARG 22 -1.132 4.596 -3.050 144 HD2 ARG 22 2HD ARG 22 -1.958 6.380 -1.557 145 HD3 ARG 22 1HD ARG 22 -1.599 7.555 -2.815 146 HE ARG 22 HE ARG 22 -3.292 5.583 -3.845 147 HH11 ARG 22 1HH1 ARG 22 -3.295 8.293 -1.572 148 HH12 ARG 22 2HH1 ARG 22 -4.936 8.677 -1.765 149 HH21 ARG 22 1HH2 ARG 22 -5.609 6.069 -4.119 150 HH22 ARG 22 2HH2 ARG 22 -6.301 7.349 -3.261 151 H ARG 23 HN ARG 23 4.115 5.304 -3.413 152 HA ARG 23 HA ARG 23 5.170 4.289 -1.082 153 HB2 ARG 23 2HB ARG 23 6.565 6.191 -2.948 154 HB3 ARG 23 1HB ARG 23 7.352 5.183 -1.751 155 HG2 ARG 23 2HG ARG 23 6.401 3.184 -2.928 156 HG3 ARG 23 1HG ARG 23 5.874 4.278 -4.206 157 HD2 ARG 23 2HD ARG 23 8.702 3.797 -3.285 158 HD3 ARG 23 1HD ARG 23 7.989 3.263 -4.802 159 HE ARG 23 HE ARG 23 7.828 6.088 -4.518 160 HH11 ARG 23 1HH1 ARG 23 10.020 3.471 -5.437 161 HH12 ARG 23 2HH1 ARG 23 11.097 4.481 -6.275 162 HH21 ARG 23 1HH2 ARG 23 9.307 7.458 -5.637 163 HH22 ARG 23 2HH2 ARG 23 10.718 6.805 -6.355 164 HA PRO 24 HA PRO 24 6.609 4.155 0.179 165 HB2 PRO 24 2HB PRO 24 7.433 4.146 2.681 166 HB3 PRO 24 1HB PRO 24 8.180 5.227 1.498 167 HG2 PRO 24 2HG PRO 24 6.248 5.853 3.674 168 HG3 PRO 24 1HG PRO 24 7.561 6.846 3.020 169 HD2 PRO 24 2HD PRO 24 4.795 6.976 2.339 170 HD3 PRO 24 1HD PRO 24 6.135 7.848 1.578 171 H VAL 25 HN VAL 25 3.565 4.634 0.746 172 HA VAL 25 HA VAL 25 3.235 2.470 2.721 173 HB VAL 25 HB VAL 25 1.220 4.696 2.321 174 HG11 VAL 25 1HG1 VAL 25 1.578 2.766 4.606 175 HG12 VAL 25 2HG1 VAL 25 0.310 2.731 3.381 176 HG13 VAL 25 3HG1 VAL 25 0.384 4.061 4.534 177 HG21 VAL 25 1HG2 VAL 25 2.060 5.797 4.342 178 HG22 VAL 25 2HG2 VAL 25 3.269 5.763 3.056 179 HG23 VAL 25 3HG2 VAL 25 3.387 4.636 4.408 180 H CYS 26 HN CYS 26 1.025 1.280 2.357 181 HA CYS 26 HA CYS 26 0.335 1.382 -0.475 182 HB2 CYS 26 2HB CYS 26 1.329 -0.783 0.323 183 HB3 CYS 26 1HB CYS 26 0.033 -0.887 1.504 184 H TYR 27 HN TYR 27 -1.825 1.796 -0.937 185 HA TYR 27 HA TYR 27 -3.608 2.049 1.374 186 HB2 TYR 27 2HB TYR 27 -3.180 4.110 -0.790 187 HB3 TYR 27 1HB TYR 27 -4.540 4.121 0.314 188 HD1 TYR 27 1HD TYR 27 -4.085 4.447 2.779 189 HD2 TYR 27 2HD TYR 27 -1.101 5.033 -0.177 190 HE1 TYR 27 1HE TYR 27 -2.804 5.800 4.364 191 HE2 TYR 27 2HE TYR 27 0.201 6.396 1.397 192 HH TYR 27 HH TYR 27 -0.202 7.742 3.442 193 H LYS 28 HN LYS 28 -5.606 1.357 1.050 194 HA LYS 28 HA LYS 28 -6.360 0.435 -1.623 195 HB2 LYS 28 2HB LYS 28 -6.385 -1.220 0.246 196 HB3 LYS 28 1HB LYS 28 -7.531 -0.191 1.091 197 HG2 LYS 28 2HG LYS 28 -9.124 -0.506 -0.774 198 HG3 LYS 28 1HG LYS 28 -7.981 -1.635 -1.502 199 HD2 LYS 28 2HD LYS 28 -8.102 -3.070 0.436 200 HD3 LYS 28 1HD LYS 28 -9.164 -1.923 1.250 201 HE2 LYS 28 2HE LYS 28 -10.820 -2.241 -0.557 202 HE3 LYS 28 1HE LYS 28 -9.770 -3.468 -1.265 203 HZ1 LYS 28 1HZ LYS 28 -9.981 -4.767 0.755 204 HZ2 LYS 28 2HZ LYS 28 -11.522 -4.419 0.134 205 HZ3 LYS 28 3HZ LYS 28 -10.931 -3.564 1.450 206 H ASN 29 HN ASN 29 -7.473 1.978 -2.629 207 HA ASN 29 HA ASN 29 -8.957 3.621 -3.155 208 HB2 ASN 29 2HB ASN 29 -10.264 3.013 -0.477 209 HB3 ASN 29 1HB ASN 29 -10.933 4.086 -1.693 210 HD21 ASN 29 1HD2 ASN 29 -11.859 3.192 -3.522 211 HD22 ASN 29 2HD2 ASN 29 -12.233 1.504 -3.635 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 -7.351 4.530 -1.096 2 HA2 GLY 1 2HA GLY 1 -6.641 6.717 -0.554 3 HA3 GLY 1 1HA GLY 1 -8.232 7.035 0.116 4 H LEU 2 HN LEU 2 -7.925 4.304 1.522 5 HA LEU 2 HA LEU 2 -6.461 5.449 3.791 6 HB2 LEU 2 2HB LEU 2 -8.743 3.475 3.724 7 HB3 LEU 2 1HB LEU 2 -7.800 3.767 5.164 8 HG LEU 2 HG LEU 2 -9.827 4.956 5.387 9 HD11 LEU 2 1HD1 LEU 2 -9.131 7.253 5.611 10 HD12 LEU 2 2HD1 LEU 2 -7.717 6.936 4.615 11 HD13 LEU 2 3HD1 LEU 2 -7.887 6.139 6.181 12 HD21 LEU 2 1HD2 LEU 2 -10.634 6.621 3.796 13 HD22 LEU 2 2HD2 LEU 2 -10.529 5.022 3.055 14 HD23 LEU 2 3HD2 LEU 2 -9.298 6.236 2.712 15 HA PRO 3 HA PRO 3 -3.551 2.129 3.427 16 HB2 PRO 3 2HB PRO 3 -2.455 2.121 5.870 17 HB3 PRO 3 1HB PRO 3 -2.250 3.504 4.790 18 HG2 PRO 3 2HG PRO 3 -4.176 3.159 7.058 19 HG3 PRO 3 1HG PRO 3 -3.139 4.545 6.675 20 HD2 PRO 3 2HD PRO 3 -5.777 4.426 6.014 21 HD3 PRO 3 1HD PRO 3 -4.580 5.328 5.062 22 H ILE 4 HN ILE 4 -6.021 1.145 3.633 23 HA ILE 4 HA ILE 4 -6.810 -0.425 5.819 24 HB ILE 4 HB ILE 4 -7.389 -0.795 2.873 25 HG12 ILE 4 2HG1 ILE 4 -8.075 1.393 3.673 26 HG13 ILE 4 1HG1 ILE 4 -9.485 0.407 3.317 27 HG21 ILE 4 1HG2 ILE 4 -9.393 -2.015 3.511 28 HG22 ILE 4 2HG2 ILE 4 -8.880 -1.969 5.203 29 HG23 ILE 4 3HG2 ILE 4 -7.913 -2.839 4.003 30 HD11 ILE 4 1HD1 ILE 4 -9.755 -0.032 5.723 31 HD12 ILE 4 2HD1 ILE 4 -9.825 1.687 5.340 32 HD13 ILE 4 3HD1 ILE 4 -8.367 1.006 6.055 33 H CYS 5 HN CYS 5 -4.553 -1.092 3.269 34 HA CYS 5 HA CYS 5 -4.458 -3.897 3.774 35 HB2 CYS 5 2HB CYS 5 -2.647 -2.123 2.156 36 HB3 CYS 5 1HB CYS 5 -2.594 -3.887 2.153 37 H GLY 6 HN GLY 6 -2.965 -1.147 5.175 38 HA2 GLY 6 2HA GLY 6 -1.756 -1.046 7.123 39 HA3 GLY 6 1HA GLY 6 -1.739 -2.799 7.162 40 H GLU 7 HN GLU 7 -0.525 -3.339 4.809 41 HA GLU 7 HA GLU 7 2.169 -3.144 5.474 42 HB2 GLU 7 2HB GLU 7 2.595 -4.269 3.355 43 HB3 GLU 7 1HB GLU 7 1.263 -5.020 4.214 44 HG2 GLU 7 2HG GLU 7 -0.308 -3.839 2.725 45 HG3 GLU 7 1HG GLU 7 1.067 -3.175 1.842 46 H THR 8 HN THR 8 3.853 -2.242 4.274 47 HA THR 8 HA THR 8 3.107 0.362 3.220 48 HB THR 8 HB THR 8 5.478 0.987 3.892 49 HG1 THR 8 1HG THR 8 5.734 -1.558 4.316 50 HG21 THR 8 1HG2 THR 8 3.540 0.135 6.038 51 HG22 THR 8 2HG2 THR 8 3.536 1.682 5.183 52 HG23 THR 8 3HG2 THR 8 4.875 1.269 6.263 53 H CYS 9 HN CYS 9 5.120 1.191 1.913 54 HA CYS 9 HA CYS 9 5.742 -0.869 -0.034 55 HB2 CYS 9 2HB CYS 9 5.081 2.024 -0.434 56 HB3 CYS 9 1HB CYS 9 5.906 1.078 -1.662 57 H LEU 10 HN LEU 10 7.586 -1.130 1.481 58 HA LEU 10 HA LEU 10 9.557 0.966 1.294 59 HB2 LEU 10 2HB LEU 10 9.283 -0.531 3.321 60 HB3 LEU 10 1HB LEU 10 9.916 -1.839 2.346 61 HG LEU 10 HG LEU 10 12.067 -0.689 2.146 62 HD11 LEU 10 1HD1 LEU 10 12.488 1.348 3.467 63 HD12 LEU 10 2HD1 LEU 10 10.766 1.425 3.863 64 HD13 LEU 10 3HD1 LEU 10 11.297 1.611 2.195 65 HD21 LEU 10 1HD2 LEU 10 11.710 -2.193 4.048 66 HD22 LEU 10 2HD2 LEU 10 11.069 -0.848 4.987 67 HD23 LEU 10 3HD2 LEU 10 12.761 -0.847 4.492 68 H LEU 11 HN LEU 11 8.756 -2.068 -0.174 69 HA LEU 11 HA LEU 11 11.051 -1.983 -1.977 70 HB2 LEU 11 2HB LEU 11 8.685 -3.863 -1.839 71 HB3 LEU 11 1HB LEU 11 10.074 -4.051 -2.882 72 HG LEU 11 HG LEU 11 10.214 -4.108 0.128 73 HD11 LEU 11 1HD1 LEU 11 10.198 -6.384 -1.851 74 HD12 LEU 11 2HD1 LEU 11 8.902 -5.986 -0.726 75 HD13 LEU 11 3HD1 LEU 11 10.465 -6.522 -0.114 76 HD21 LEU 11 1HD2 LEU 11 12.426 -5.070 -0.294 77 HD22 LEU 11 2HD2 LEU 11 12.288 -3.434 -0.933 78 HD23 LEU 11 3HD2 LEU 11 12.206 -4.818 -2.025 79 H GLY 12 HN GLY 12 7.685 -1.334 -1.782 80 HA2 GLY 12 2HA GLY 12 6.591 0.274 -3.252 81 HA3 GLY 12 1HA GLY 12 7.735 -0.198 -4.501 82 H LYS 13 HN LYS 13 6.141 -2.476 -2.429 83 HA LYS 13 HA LYS 13 4.582 -3.423 -4.706 84 HB2 LYS 13 2HB LYS 13 6.730 -4.623 -4.586 85 HB3 LYS 13 1HB LYS 13 6.375 -5.073 -2.930 86 HG2 LYS 13 2HG LYS 13 4.444 -6.366 -3.715 87 HG3 LYS 13 1HG LYS 13 4.856 -5.935 -5.378 88 HD2 LYS 13 2HD LYS 13 7.081 -6.971 -5.045 89 HD3 LYS 13 1HD LYS 13 6.563 -7.480 -3.439 90 HE2 LYS 13 2HE LYS 13 6.351 -9.297 -5.049 91 HE3 LYS 13 1HE LYS 13 4.780 -8.807 -4.417 92 HZ1 LYS 13 1HZ LYS 13 5.896 -7.933 -7.032 93 HZ2 LYS 13 2HZ LYS 13 4.366 -7.579 -6.447 94 HZ3 LYS 13 3HZ LYS 13 4.766 -9.156 -6.836 95 H CYS 14 HN CYS 14 2.600 -4.085 -4.107 96 HA CYS 14 HA CYS 14 1.976 -4.320 -1.254 97 HB2 CYS 14 2HB CYS 14 0.200 -3.671 -3.614 98 HB3 CYS 14 1HB CYS 14 -0.381 -3.936 -1.975 99 H TYR 15 HN TYR 15 1.545 -6.276 -0.558 100 HA TYR 15 HA TYR 15 1.371 -8.410 -2.485 101 HB2 TYR 15 2HB TYR 15 1.542 -8.440 0.523 102 HB3 TYR 15 1HB TYR 15 1.435 -9.889 -0.475 103 HD1 TYR 15 1HD TYR 15 3.355 -10.809 -1.478 104 HD2 TYR 15 2HD TYR 15 3.554 -6.904 0.195 105 HE1 TYR 15 1HE TYR 15 5.783 -10.809 -1.781 106 HE2 TYR 15 2HE TYR 15 5.973 -6.888 -0.101 107 HH TYR 15 HH TYR 15 7.789 -8.594 -0.291 108 H THR 16 HN THR 16 -0.725 -6.784 -0.207 109 HA THR 16 HA THR 16 -2.920 -8.549 -0.538 110 HB THR 16 HB THR 16 -3.019 -5.568 0.029 111 HG1 THR 16 1HG THR 16 -1.738 -6.558 1.567 112 HG21 THR 16 1HG2 THR 16 -5.192 -6.555 -0.552 113 HG22 THR 16 2HG2 THR 16 -5.152 -6.091 1.148 114 HG23 THR 16 3HG2 THR 16 -4.974 -7.786 0.693 115 HA PRO 17 HA PRO 17 -3.642 -7.315 -4.795 116 HB2 PRO 17 2HB PRO 17 -5.785 -8.924 -5.251 117 HB3 PRO 17 1HB PRO 17 -4.126 -9.522 -5.263 118 HG2 PRO 17 2HG PRO 17 -6.191 -9.716 -3.118 119 HG3 PRO 17 1HG PRO 17 -4.996 -10.917 -3.635 120 HD2 PRO 17 2HD PRO 17 -4.715 -9.343 -1.420 121 HD3 PRO 17 1HD PRO 17 -3.345 -10.003 -2.335 122 H GLY 18 HN GLY 18 -4.812 -5.656 -5.556 123 HA2 GLY 18 2HA GLY 18 -6.766 -4.403 -5.905 124 HA3 GLY 18 1HA GLY 18 -7.481 -5.164 -4.490 125 H CYS 19 HN CYS 19 -4.263 -3.917 -4.261 126 HA CYS 19 HA CYS 19 -5.311 -1.616 -2.773 127 HB2 CYS 19 2HB CYS 19 -4.128 -3.731 -1.620 128 HB3 CYS 19 1HB CYS 19 -2.685 -2.841 -2.087 129 H SER 20 HN SER 20 -3.820 0.305 -2.891 130 HA SER 20 HA SER 20 -2.301 0.201 -5.384 131 HB2 SER 20 2HB SER 20 -4.426 1.556 -5.408 132 HB3 SER 20 1HB SER 20 -3.722 2.579 -4.162 133 HG SER 20 HG SER 20 -2.983 2.234 -6.838 134 H CYS 21 HN CYS 21 -0.202 0.532 -5.164 135 HA CYS 21 HA CYS 21 0.882 1.276 -2.625 136 HB2 CYS 21 2HB CYS 21 1.938 -0.500 -3.921 137 HB3 CYS 21 1HB CYS 21 2.232 0.618 -5.247 138 H ARG 22 HN ARG 22 0.928 3.319 -2.058 139 HA ARG 22 HA ARG 22 1.896 5.288 -3.997 140 HB2 ARG 22 2HB ARG 22 0.191 5.829 -1.538 141 HB3 ARG 22 1HB ARG 22 0.738 7.012 -2.702 142 HG2 ARG 22 2HG ARG 22 -0.632 6.025 -4.438 143 HG3 ARG 22 1HG ARG 22 -1.163 4.764 -3.325 144 HD2 ARG 22 2HD ARG 22 -2.197 6.466 -1.900 145 HD3 ARG 22 1HD ARG 22 -1.654 7.723 -3.009 146 HE ARG 22 HE ARG 22 -3.096 5.935 -4.520 147 HH11 ARG 22 1HH1 ARG 22 -3.751 8.121 -1.828 148 HH12 ARG 22 2HH1 ARG 22 -5.391 8.341 -2.201 149 HH21 ARG 22 1HH2 ARG 22 -5.371 6.238 -5.061 150 HH22 ARG 22 2HH2 ARG 22 -6.332 7.256 -4.093 151 H ARG 23 HN ARG 23 3.914 4.691 -3.550 152 HA ARG 23 HA ARG 23 5.046 3.851 -1.263 153 HB2 ARG 23 2HB ARG 23 5.890 3.827 -3.637 154 HB3 ARG 23 1HB ARG 23 6.410 5.485 -3.347 155 HG2 ARG 23 2HG ARG 23 7.915 4.778 -1.687 156 HG3 ARG 23 1HG ARG 23 7.361 3.102 -1.820 157 HD2 ARG 23 2HD ARG 23 8.034 3.174 -4.239 158 HD3 ARG 23 1HD ARG 23 8.787 4.734 -3.916 159 HE ARG 23 HE ARG 23 9.906 3.232 -2.062 160 HH11 ARG 23 1HH1 ARG 23 9.553 2.698 -5.568 161 HH12 ARG 23 2HH1 ARG 23 10.887 1.650 -5.658 162 HH21 ARG 23 1HH2 ARG 23 11.736 1.745 -2.235 163 HH22 ARG 23 2HH2 ARG 23 12.130 1.094 -3.756 164 HA PRO 24 HA PRO 24 6.501 3.796 0.038 165 HB2 PRO 24 2HB PRO 24 7.223 3.969 2.560 166 HB3 PRO 24 1HB PRO 24 8.111 4.841 1.306 167 HG2 PRO 24 2HG PRO 24 6.115 5.866 3.266 168 HG3 PRO 24 1HG PRO 24 7.591 6.638 2.666 169 HD2 PRO 24 2HD PRO 24 4.958 7.065 1.711 170 HD3 PRO 24 1HD PRO 24 6.459 7.605 0.935 171 H VAL 25 HN VAL 25 3.416 4.615 0.578 172 HA VAL 25 HA VAL 25 3.024 2.483 2.572 173 HB VAL 25 HB VAL 25 1.229 4.924 2.370 174 HG11 VAL 25 1HG1 VAL 25 1.377 2.783 4.481 175 HG12 VAL 25 2HG1 VAL 25 0.120 2.965 3.258 176 HG13 VAL 25 3HG1 VAL 25 0.314 4.192 4.509 177 HG21 VAL 25 1HG2 VAL 25 3.401 5.673 3.174 178 HG22 VAL 25 2HG2 VAL 25 3.400 4.408 4.402 179 HG23 VAL 25 3HG2 VAL 25 2.219 5.717 4.484 180 H CYS 26 HN CYS 26 1.017 1.201 2.260 181 HA CYS 26 HA CYS 26 0.166 1.358 -0.516 182 HB2 CYS 26 2HB CYS 26 1.237 -0.754 0.363 183 HB3 CYS 26 1HB CYS 26 -0.134 -0.925 1.447 184 H TYR 27 HN TYR 27 -1.836 2.065 -0.935 185 HA TYR 27 HA TYR 27 -3.707 2.337 1.319 186 HB2 TYR 27 2HB TYR 27 -3.238 4.263 -0.959 187 HB3 TYR 27 1HB TYR 27 -4.567 4.379 0.180 188 HD1 TYR 27 1HD TYR 27 -1.057 4.957 -0.383 189 HD2 TYR 27 2HD TYR 27 -4.114 4.941 2.533 190 HE1 TYR 27 1HE TYR 27 0.370 6.295 1.094 191 HE2 TYR 27 2HE TYR 27 -2.719 6.259 4.040 192 HH TYR 27 HH TYR 27 -0.335 6.657 4.392 193 H LYS 28 HN LYS 28 -5.777 1.885 0.980 194 HA LYS 28 HA LYS 28 -6.619 1.033 -1.679 195 HB2 LYS 28 2HB LYS 28 -6.292 -0.894 -0.209 196 HB3 LYS 28 1HB LYS 28 -7.272 -0.115 1.023 197 HG2 LYS 28 2HG LYS 28 -9.217 -0.242 -0.428 198 HG3 LYS 28 1HG LYS 28 -8.239 -1.033 -1.671 199 HD2 LYS 28 2HD LYS 28 -7.741 -2.846 -0.099 200 HD3 LYS 28 1HD LYS 28 -8.759 -2.063 1.110 201 HE2 LYS 28 2HE LYS 28 -9.965 -3.836 0.013 202 HE3 LYS 28 1HE LYS 28 -10.678 -2.272 -0.369 203 HZ1 LYS 28 1HZ LYS 28 -9.591 -2.324 -2.524 204 HZ2 LYS 28 2HZ LYS 28 -10.489 -3.733 -2.326 205 HZ3 LYS 28 3HZ LYS 28 -8.820 -3.774 -2.138 206 H ASN 29 HN ASN 29 -8.091 2.462 -2.320 207 HA ASN 29 HA ASN 29 -9.915 3.828 -2.393 208 HB2 ASN 29 2HB ASN 29 -11.010 1.883 -1.216 209 HB3 ASN 29 1HB ASN 29 -10.591 2.622 0.318 210 HD21 ASN 29 1HD2 ASN 29 -12.675 2.702 0.943 211 HD22 ASN 29 2HD2 ASN 29 -13.853 3.790 0.299 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 -6.820 3.580 -1.678 2 HA2 GLY 1 2HA GLY 1 -5.831 5.727 -1.527 3 HA3 GLY 1 1HA GLY 1 -7.438 6.426 -1.381 4 H LEU 2 HN LEU 2 -7.565 3.839 0.598 5 HA LEU 2 HA LEU 2 -6.827 5.503 2.899 6 HB2 LEU 2 2HB LEU 2 -8.794 3.221 2.768 7 HB3 LEU 2 1HB LEU 2 -8.408 4.130 4.212 8 HG LEU 2 HG LEU 2 -9.340 6.158 2.878 9 HD11 LEU 2 1HD1 LEU 2 -9.472 5.117 0.707 10 HD12 LEU 2 2HD1 LEU 2 -11.087 5.564 1.266 11 HD13 LEU 2 3HD1 LEU 2 -10.561 3.886 1.338 12 HD21 LEU 2 1HD2 LEU 2 -10.361 5.206 4.841 13 HD22 LEU 2 2HD2 LEU 2 -11.124 3.949 3.866 14 HD23 LEU 2 3HD2 LEU 2 -11.595 5.640 3.657 15 HA PRO 3 HA PRO 3 -3.690 2.500 3.939 16 HB2 PRO 3 2HB PRO 3 -3.197 3.229 6.478 17 HB3 PRO 3 1HB PRO 3 -2.807 4.302 5.129 18 HG2 PRO 3 2HG PRO 3 -5.199 4.336 6.937 19 HG3 PRO 3 1HG PRO 3 -4.164 5.686 6.438 20 HD2 PRO 3 2HD PRO 3 -6.554 5.157 5.254 21 HD3 PRO 3 1HD PRO 3 -5.183 5.871 4.381 22 H ILE 4 HN ILE 4 -6.266 1.463 4.023 23 HA ILE 4 HA ILE 4 -7.001 0.239 6.500 24 HB ILE 4 HB ILE 4 -7.861 -0.346 3.661 25 HG12 ILE 4 2HG1 ILE 4 -8.399 1.904 4.305 26 HG13 ILE 4 1HG1 ILE 4 -9.878 0.956 4.225 27 HG21 ILE 4 1HG2 ILE 4 -9.166 -1.265 6.212 28 HG22 ILE 4 2HG2 ILE 4 -8.304 -2.266 5.039 29 HG23 ILE 4 3HG2 ILE 4 -9.807 -1.470 4.575 30 HD11 ILE 4 1HD1 ILE 4 -9.932 2.441 6.128 31 HD12 ILE 4 2HD1 ILE 4 -8.412 1.791 6.726 32 HD13 ILE 4 3HD1 ILE 4 -9.853 0.771 6.690 33 H CYS 5 HN CYS 5 -4.949 -0.664 3.848 34 HA CYS 5 HA CYS 5 -4.987 -3.455 4.107 35 HB2 CYS 5 2HB CYS 5 -2.618 -1.817 3.203 36 HB3 CYS 5 1HB CYS 5 -3.082 -3.436 2.678 37 H GLY 6 HN GLY 6 -3.103 -0.956 5.734 38 HA2 GLY 6 2HA GLY 6 -2.049 -0.986 7.759 39 HA3 GLY 6 1HA GLY 6 -2.634 -2.626 7.998 40 H GLU 7 HN GLU 7 -0.806 -1.663 5.218 41 HA GLU 7 HA GLU 7 1.543 -2.950 6.283 42 HB2 GLU 7 2HB GLU 7 1.740 -4.388 4.294 43 HB3 GLU 7 1HB GLU 7 0.351 -4.773 5.298 44 HG2 GLU 7 2HG GLU 7 -1.034 -3.427 3.701 45 HG3 GLU 7 1HG GLU 7 0.381 -3.360 2.649 46 H THR 8 HN THR 8 3.398 -2.681 4.882 47 HA THR 8 HA THR 8 3.241 -0.124 3.520 48 HB THR 8 HB THR 8 5.789 -0.244 3.949 49 HG1 THR 8 1HG THR 8 5.098 -1.737 6.216 50 HG21 THR 8 1HG2 THR 8 3.846 0.188 6.222 51 HG22 THR 8 2HG2 THR 8 4.320 1.375 4.996 52 HG23 THR 8 3HG2 THR 8 5.512 0.780 6.151 53 H CYS 9 HN CYS 9 4.895 0.137 1.827 54 HA CYS 9 HA CYS 9 5.728 -2.251 0.525 55 HB2 CYS 9 2HB CYS 9 4.697 -1.568 -1.654 56 HB3 CYS 9 1HB CYS 9 3.548 -2.038 -0.406 57 H LEU 10 HN LEU 10 7.754 -1.461 1.056 58 HA LEU 10 HA LEU 10 8.676 1.115 0.214 59 HB2 LEU 10 2HB LEU 10 10.152 -1.262 1.327 60 HB3 LEU 10 1HB LEU 10 10.961 0.213 0.863 61 HG LEU 10 HG LEU 10 9.588 1.428 2.580 62 HD11 LEU 10 1HD1 LEU 10 8.816 -1.337 3.483 63 HD12 LEU 10 2HD1 LEU 10 7.736 -0.135 2.779 64 HD13 LEU 10 3HD1 LEU 10 8.497 0.173 4.341 65 HD21 LEU 10 1HD2 LEU 10 11.869 0.784 3.032 66 HD22 LEU 10 2HD2 LEU 10 11.340 -0.815 3.553 67 HD23 LEU 10 3HD2 LEU 10 10.883 0.614 4.482 68 H LEU 11 HN LEU 11 8.373 -1.838 -1.377 69 HA LEU 11 HA LEU 11 10.517 -1.348 -3.281 70 HB2 LEU 11 2HB LEU 11 8.322 -3.420 -3.383 71 HB3 LEU 11 1HB LEU 11 9.757 -3.375 -4.374 72 HG LEU 11 HG LEU 11 9.730 -3.834 -1.392 73 HD11 LEU 11 1HD1 LEU 11 10.233 -5.741 -3.667 74 HD12 LEU 11 2HD1 LEU 11 8.807 -5.712 -2.631 75 HD13 LEU 11 3HD1 LEU 11 10.385 -6.108 -1.948 76 HD21 LEU 11 1HD2 LEU 11 11.980 -3.897 -3.391 77 HD22 LEU 11 2HD2 LEU 11 12.077 -4.408 -1.707 78 HD23 LEU 11 3HD2 LEU 11 11.760 -2.716 -2.092 79 H GLY 12 HN GLY 12 7.312 -0.451 -2.851 80 HA2 GLY 12 2HA GLY 12 6.080 1.002 -4.221 81 HA3 GLY 12 1HA GLY 12 7.168 0.623 -5.555 82 H LYS 13 HN LYS 13 6.023 -2.011 -3.751 83 HA LYS 13 HA LYS 13 3.785 -2.538 -5.524 84 HB2 LYS 13 2HB LYS 13 5.762 -3.635 -6.551 85 HB3 LYS 13 1HB LYS 13 6.129 -4.421 -5.034 86 HG2 LYS 13 2HG LYS 13 3.523 -4.965 -6.425 87 HG3 LYS 13 1HG LYS 13 5.002 -5.752 -6.967 88 HD2 LYS 13 2HD LYS 13 5.321 -6.704 -4.731 89 HD3 LYS 13 1HD LYS 13 3.873 -5.876 -4.165 90 HE2 LYS 13 2HE LYS 13 3.925 -7.949 -6.364 91 HE3 LYS 13 1HE LYS 13 3.497 -8.274 -4.686 92 HZ1 LYS 13 1HZ LYS 13 1.525 -7.964 -6.029 93 HZ2 LYS 13 2HZ LYS 13 2.058 -6.456 -6.535 94 HZ3 LYS 13 3HZ LYS 13 1.659 -6.698 -4.914 95 H CYS 14 HN CYS 14 2.106 -3.009 -4.239 96 HA CYS 14 HA CYS 14 2.632 -3.484 -1.445 97 HB2 CYS 14 2HB CYS 14 0.746 -1.992 -2.286 98 HB3 CYS 14 1HB CYS 14 -0.051 -3.479 -2.809 99 H TYR 15 HN TYR 15 1.867 -5.292 -0.282 100 HA TYR 15 HA TYR 15 2.298 -7.638 -1.830 101 HB2 TYR 15 2HB TYR 15 2.020 -7.191 1.137 102 HB3 TYR 15 1HB TYR 15 2.260 -8.789 0.423 103 HD1 TYR 15 1HD TYR 15 4.401 -9.454 -0.406 104 HD2 TYR 15 2HD TYR 15 3.802 -5.472 0.951 105 HE1 TYR 15 1HE TYR 15 6.806 -9.065 -0.512 106 HE2 TYR 15 2HE TYR 15 6.204 -5.071 0.862 107 HH TYR 15 HH TYR 15 8.301 -7.162 -0.770 108 H THR 16 HN THR 16 -0.369 -6.185 -0.089 109 HA THR 16 HA THR 16 -2.096 -8.364 -0.784 110 HB THR 16 HB THR 16 -2.650 -5.675 0.496 111 HG1 THR 16 1HG THR 16 -1.972 -6.767 2.137 112 HG21 THR 16 1HG2 THR 16 -4.660 -6.409 -0.742 113 HG22 THR 16 2HG2 THR 16 -4.915 -6.517 0.998 114 HG23 THR 16 3HG2 THR 16 -4.581 -7.975 0.065 115 HA PRO 17 HA PRO 17 -3.137 -6.720 -4.869 116 HB2 PRO 17 2HB PRO 17 -5.437 -8.553 -4.643 117 HB3 PRO 17 1HB PRO 17 -4.154 -8.526 -5.855 118 HG2 PRO 17 2HG PRO 17 -4.289 -10.462 -4.002 119 HG3 PRO 17 1HG PRO 17 -2.739 -9.828 -4.579 120 HD2 PRO 17 2HD PRO 17 -4.186 -9.249 -2.029 121 HD3 PRO 17 1HD PRO 17 -2.450 -9.491 -2.340 122 H GLY 18 HN GLY 18 -4.426 -5.038 -5.388 123 HA2 GLY 18 2HA GLY 18 -6.527 -3.951 -5.477 124 HA3 GLY 18 1HA GLY 18 -6.954 -4.701 -3.945 125 H CYS 19 HN CYS 19 -4.075 -3.971 -3.146 126 HA CYS 19 HA CYS 19 -4.792 -1.335 -2.162 127 HB2 CYS 19 2HB CYS 19 -2.537 -3.203 -1.408 128 HB3 CYS 19 1HB CYS 19 -2.775 -1.603 -0.724 129 H SER 20 HN SER 20 -4.089 0.427 -3.189 130 HA SER 20 HA SER 20 -2.105 0.251 -5.228 131 HB2 SER 20 2HB SER 20 -3.445 2.663 -3.968 132 HB3 SER 20 1HB SER 20 -2.551 2.647 -5.489 133 HG SER 20 HG SER 20 -4.300 2.027 -6.432 134 H CYS 21 HN CYS 21 0.020 0.812 -5.007 135 HA CYS 21 HA CYS 21 0.902 1.186 -2.289 136 HB2 CYS 21 2HB CYS 21 1.983 -0.576 -3.564 137 HB3 CYS 21 1HB CYS 21 2.456 0.586 -4.802 138 H ARG 22 HN ARG 22 1.010 3.179 -1.627 139 HA ARG 22 HA ARG 22 2.130 5.168 -3.455 140 HB2 ARG 22 2HB ARG 22 0.644 5.646 -0.852 141 HB3 ARG 22 1HB ARG 22 1.185 6.872 -1.982 142 HG2 ARG 22 2HG ARG 22 -0.940 4.812 -2.493 143 HG3 ARG 22 1HG ARG 22 -1.209 6.519 -2.153 144 HD2 ARG 22 2HD ARG 22 0.031 7.088 -4.202 145 HD3 ARG 22 1HD ARG 22 0.241 5.366 -4.523 146 HE ARG 22 HE ARG 22 -2.471 6.077 -4.123 147 HH11 ARG 22 1HH1 ARG 22 0.087 6.031 -6.582 148 HH12 ARG 22 2HH1 ARG 22 -1.016 5.963 -7.880 149 HH21 ARG 22 1HH2 ARG 22 -3.925 5.967 -5.886 150 HH22 ARG 22 2HH2 ARG 22 -3.336 5.948 -7.487 151 H ARG 23 HN ARG 23 4.135 4.545 -3.179 152 HA ARG 23 HA ARG 23 5.255 3.277 -1.128 153 HB2 ARG 23 2HB ARG 23 7.482 3.955 -1.986 154 HB3 ARG 23 1HB ARG 23 6.374 3.391 -3.228 155 HG2 ARG 23 2HG ARG 23 5.886 5.698 -3.832 156 HG3 ARG 23 1HG ARG 23 7.011 6.241 -2.583 157 HD2 ARG 23 2HD ARG 23 8.832 5.129 -3.718 158 HD3 ARG 23 1HD ARG 23 7.709 4.511 -4.934 159 HE ARG 23 HE ARG 23 7.931 7.388 -4.540 160 HH11 ARG 23 1HH1 ARG 23 8.589 4.566 -6.607 161 HH12 ARG 23 2HH1 ARG 23 8.944 5.513 -7.980 162 HH21 ARG 23 1HH2 ARG 23 8.462 8.659 -6.506 163 HH22 ARG 23 2HH2 ARG 23 8.879 7.810 -7.915 164 HA PRO 24 HA PRO 24 6.426 2.726 0.140 165 HB2 PRO 24 2HB PRO 24 7.332 2.363 2.590 166 HB3 PRO 24 1HB PRO 24 8.292 3.243 1.394 167 HG2 PRO 24 2HG PRO 24 6.785 4.276 3.733 168 HG3 PRO 24 1HG PRO 24 8.240 4.923 2.961 169 HD2 PRO 24 2HD PRO 24 5.510 5.728 2.542 170 HD3 PRO 24 1HD PRO 24 6.965 6.352 1.743 171 H VAL 25 HN VAL 25 3.626 3.936 0.880 172 HA VAL 25 HA VAL 25 2.867 1.941 2.908 173 HB VAL 25 HB VAL 25 1.679 4.715 2.578 174 HG11 VAL 25 1HG1 VAL 25 0.007 3.130 3.350 175 HG12 VAL 25 2HG1 VAL 25 0.451 4.233 4.657 176 HG13 VAL 25 3HG1 VAL 25 1.092 2.589 4.628 177 HG21 VAL 25 1HG2 VAL 25 3.448 3.613 4.752 178 HG22 VAL 25 2HG2 VAL 25 2.661 5.190 4.773 179 HG23 VAL 25 3HG2 VAL 25 3.889 4.833 3.557 180 H CYS 26 HN CYS 26 0.993 0.764 2.557 181 HA CYS 26 HA CYS 26 -0.081 0.810 -0.118 182 HB2 CYS 26 2HB CYS 26 -0.606 -0.939 2.274 183 HB3 CYS 26 1HB CYS 26 -1.403 -1.146 0.723 184 H TYR 27 HN TYR 27 -2.043 1.579 -0.708 185 HA TYR 27 HA TYR 27 -3.937 2.329 1.396 186 HB2 TYR 27 2HB TYR 27 -3.148 3.970 -1.019 187 HB3 TYR 27 1HB TYR 27 -4.557 4.303 -0.032 188 HD1 TYR 27 1HD TYR 27 -0.875 4.335 -0.108 189 HD2 TYR 27 2HD TYR 27 -4.337 5.410 2.096 190 HE1 TYR 27 1HE TYR 27 0.490 5.775 1.319 191 HE2 TYR 27 2HE TYR 27 -2.983 6.843 3.543 192 HH TYR 27 HH TYR 27 -0.664 7.045 4.236 193 H LYS 28 HN LYS 28 -5.722 1.164 1.087 194 HA LYS 28 HA LYS 28 -6.377 0.241 -1.600 195 HB2 LYS 28 2HB LYS 28 -6.469 -1.428 0.242 196 HB3 LYS 28 1HB LYS 28 -7.678 -0.441 1.054 197 HG2 LYS 28 2HG LYS 28 -9.192 -0.742 -0.851 198 HG3 LYS 28 1HG LYS 28 -7.986 -1.757 -1.636 199 HD2 LYS 28 2HD LYS 28 -8.129 -3.357 0.201 200 HD3 LYS 28 1HD LYS 28 -9.313 -2.327 1.013 201 HE2 LYS 28 2HE LYS 28 -9.669 -3.561 -1.716 202 HE3 LYS 28 1HE LYS 28 -10.357 -4.203 -0.226 203 HZ1 LYS 28 1HZ LYS 28 -11.936 -2.868 -1.512 204 HZ2 LYS 28 2HZ LYS 28 -10.977 -1.486 -1.327 205 HZ3 LYS 28 3HZ LYS 28 -11.672 -2.222 0.009 206 H ASN 29 HN ASN 29 -7.595 1.496 -2.738 207 HA ASN 29 HA ASN 29 -9.155 2.960 -3.453 208 HB2 ASN 29 2HB ASN 29 -10.468 2.519 -0.738 209 HB3 ASN 29 1HB ASN 29 -11.201 3.413 -2.061 210 HD21 ASN 29 1HD2 ASN 29 -11.952 2.264 -3.857 211 HD22 ASN 29 2HD2 ASN 29 -12.226 0.560 -3.807 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 -8.407 3.775 0.087 2 HA2 GLY 1 2HA GLY 1 -7.649 6.230 -0.990 3 HA3 GLY 1 1HA GLY 1 -9.106 6.487 -0.033 4 H LEU 2 HN LEU 2 -8.610 4.535 1.931 5 HA LEU 2 HA LEU 2 -6.610 5.998 3.470 6 HB2 LEU 2 2HB LEU 2 -8.720 3.998 4.284 7 HB3 LEU 2 1HB LEU 2 -7.643 4.793 5.407 8 HG LEU 2 HG LEU 2 -9.733 6.155 3.702 9 HD11 LEU 2 1HD1 LEU 2 -10.884 6.538 5.822 10 HD12 LEU 2 2HD1 LEU 2 -9.656 5.590 6.660 11 HD13 LEU 2 3HD1 LEU 2 -10.711 4.817 5.476 12 HD21 LEU 2 1HD2 LEU 2 -7.895 7.270 5.826 13 HD22 LEU 2 2HD2 LEU 2 -9.216 8.144 5.053 14 HD23 LEU 2 3HD2 LEU 2 -7.830 7.628 4.099 15 HA PRO 3 HA PRO 3 -3.575 2.689 3.422 16 HB2 PRO 3 2HB PRO 3 -2.489 2.875 5.889 17 HB3 PRO 3 1HB PRO 3 -2.243 4.126 4.665 18 HG2 PRO 3 2HG PRO 3 -4.205 4.058 6.928 19 HG3 PRO 3 1HG PRO 3 -3.117 5.374 6.441 20 HD2 PRO 3 2HD PRO 3 -5.703 5.365 5.750 21 HD3 PRO 3 1HD PRO 3 -4.454 5.981 4.651 22 H ILE 4 HN ILE 4 -6.045 1.670 3.784 23 HA ILE 4 HA ILE 4 -6.695 0.275 6.116 24 HB ILE 4 HB ILE 4 -7.480 -0.316 3.259 25 HG12 ILE 4 2HG1 ILE 4 -8.074 1.938 3.918 26 HG13 ILE 4 1HG1 ILE 4 -9.527 0.960 3.791 27 HG21 ILE 4 1HG2 ILE 4 -9.434 -1.476 4.154 28 HG22 ILE 4 2HG2 ILE 4 -8.831 -1.231 5.789 29 HG23 ILE 4 3HG2 ILE 4 -7.934 -2.255 4.667 30 HD11 ILE 4 1HD1 ILE 4 -9.667 2.400 5.718 31 HD12 ILE 4 2HD1 ILE 4 -8.130 1.800 6.328 32 HD13 ILE 4 3HD1 ILE 4 -9.528 0.726 6.261 33 H CYS 5 HN CYS 5 -4.721 -0.758 3.383 34 HA CYS 5 HA CYS 5 -4.642 -3.491 4.141 35 HB2 CYS 5 2HB CYS 5 -2.664 -1.947 2.463 36 HB3 CYS 5 1HB CYS 5 -2.843 -3.701 2.513 37 H GLY 6 HN GLY 6 -2.632 -0.690 4.881 38 HA2 GLY 6 2HA GLY 6 -1.409 -0.360 6.810 39 HA3 GLY 6 1HA GLY 6 -1.666 -2.043 7.236 40 H GLU 7 HN GLU 7 -0.630 -2.450 4.294 41 HA GLU 7 HA GLU 7 1.983 -3.139 5.167 42 HB2 GLU 7 2HB GLU 7 0.880 -3.198 2.365 43 HB3 GLU 7 1HB GLU 7 2.349 -3.982 2.920 44 HG2 GLU 7 2HG GLU 7 0.975 -5.328 4.456 45 HG3 GLU 7 1HG GLU 7 -0.467 -4.630 3.714 46 H THR 8 HN THR 8 3.906 -2.511 4.049 47 HA THR 8 HA THR 8 3.762 0.236 3.123 48 HB THR 8 HB THR 8 6.154 0.425 4.028 49 HG1 THR 8 1HG THR 8 5.284 -1.930 5.345 50 HG21 THR 8 1HG2 THR 8 5.377 1.002 6.291 51 HG22 THR 8 2HG2 THR 8 3.857 0.157 5.967 52 HG23 THR 8 3HG2 THR 8 4.287 1.596 5.038 53 H CYS 9 HN CYS 9 4.677 0.679 1.282 54 HA CYS 9 HA CYS 9 5.831 -1.476 -0.263 55 HB2 CYS 9 2HB CYS 9 5.353 1.410 -1.026 56 HB3 CYS 9 1HB CYS 9 5.909 0.152 -2.111 57 H LEU 10 HN LEU 10 7.620 -1.600 1.238 58 HA LEU 10 HA LEU 10 9.523 0.539 1.328 59 HB2 LEU 10 2HB LEU 10 9.838 -2.351 2.139 60 HB3 LEU 10 1HB LEU 10 10.901 -1.036 2.590 61 HG LEU 10 HG LEU 10 8.016 -1.283 3.427 62 HD11 LEU 10 1HD1 LEU 10 10.543 -1.778 4.988 63 HD12 LEU 10 2HD1 LEU 10 9.415 -3.007 4.421 64 HD13 LEU 10 3HD1 LEU 10 8.899 -1.835 5.624 65 HD21 LEU 10 1HD2 LEU 10 10.179 0.656 4.263 66 HD22 LEU 10 2HD2 LEU 10 8.568 0.548 4.971 67 HD23 LEU 10 3HD2 LEU 10 8.757 1.038 3.292 68 H LEU 11 HN LEU 11 9.193 -2.576 -0.260 69 HA LEU 11 HA LEU 11 11.622 -2.186 -1.776 70 HB2 LEU 11 2HB LEU 11 9.524 -4.361 -1.944 71 HB3 LEU 11 1HB LEU 11 11.028 -4.332 -2.841 72 HG LEU 11 HG LEU 11 10.805 -4.530 0.162 73 HD11 LEU 11 1HD1 LEU 11 11.595 -6.822 -0.154 74 HD12 LEU 11 2HD1 LEU 11 11.515 -6.607 -1.903 75 HD13 LEU 11 3HD1 LEU 11 10.040 -6.557 -0.939 76 HD21 LEU 11 1HD2 LEU 11 12.846 -3.390 -0.540 77 HD22 LEU 11 2HD2 LEU 11 13.201 -4.699 -1.666 78 HD23 LEU 11 3HD2 LEU 11 13.209 -5.004 0.069 79 H GLY 12 HN GLY 12 8.198 -1.839 -2.116 80 HA2 GLY 12 2HA GLY 12 7.738 0.125 -3.640 81 HA3 GLY 12 1HA GLY 12 8.670 -0.765 -4.826 82 H LYS 13 HN LYS 13 7.041 -3.075 -3.240 83 HA LYS 13 HA LYS 13 4.770 -2.873 -5.089 84 HB2 LYS 13 2HB LYS 13 6.480 -4.513 -5.817 85 HB3 LYS 13 1HB LYS 13 6.293 -5.352 -4.289 86 HG2 LYS 13 2HG LYS 13 5.133 -6.484 -6.113 87 HG3 LYS 13 1HG LYS 13 4.013 -5.933 -4.869 88 HD2 LYS 13 2HD LYS 13 3.333 -4.077 -6.198 89 HD3 LYS 13 1HD LYS 13 4.598 -4.387 -7.386 90 HE2 LYS 13 2HE LYS 13 2.389 -6.325 -6.750 91 HE3 LYS 13 1HE LYS 13 2.292 -5.140 -8.050 92 HZ1 LYS 13 1HZ LYS 13 3.067 -7.352 -8.801 93 HZ2 LYS 13 2HZ LYS 13 4.443 -7.194 -7.849 94 HZ3 LYS 13 3HZ LYS 13 4.162 -6.120 -9.105 95 H CYS 14 HN CYS 14 2.788 -3.255 -4.211 96 HA CYS 14 HA CYS 14 2.684 -3.797 -1.368 97 HB2 CYS 14 2HB CYS 14 1.302 -1.975 -2.509 98 HB3 CYS 14 1HB CYS 14 0.381 -3.293 -3.249 99 H TYR 15 HN TYR 15 1.711 -5.656 -0.556 100 HA TYR 15 HA TYR 15 1.822 -7.808 -2.479 101 HB2 TYR 15 2HB TYR 15 1.760 -7.942 0.544 102 HB3 TYR 15 1HB TYR 15 2.129 -9.272 -0.561 103 HD1 TYR 15 1HD TYR 15 4.165 -8.996 -2.105 104 HD2 TYR 15 2HD TYR 15 3.479 -6.525 1.288 105 HE1 TYR 15 1HE TYR 15 6.510 -8.290 -2.156 106 HE2 TYR 15 2HE TYR 15 5.821 -5.812 1.256 107 HH TYR 15 HH TYR 15 7.975 -6.586 0.398 108 H THR 16 HN THR 16 -0.435 -6.043 -0.668 109 HA THR 16 HA THR 16 -2.519 -8.003 -0.788 110 HB THR 16 HB THR 16 -2.650 -5.031 -0.219 111 HG1 THR 16 1HG THR 16 -1.405 -6.064 1.289 112 HG21 THR 16 1HG2 THR 16 -4.816 -5.557 0.851 113 HG22 THR 16 2HG2 THR 16 -4.669 -7.234 0.318 114 HG23 THR 16 3HG2 THR 16 -4.841 -5.945 -0.869 115 HA PRO 17 HA PRO 17 -3.535 -6.903 -5.082 116 HB2 PRO 17 2HB PRO 17 -5.803 -8.721 -4.666 117 HB3 PRO 17 1HB PRO 17 -4.479 -8.850 -5.826 118 HG2 PRO 17 2HG PRO 17 -4.690 -10.513 -3.716 119 HG3 PRO 17 1HG PRO 17 -3.122 -9.990 -4.350 120 HD2 PRO 17 2HD PRO 17 -4.603 -9.012 -1.938 121 HD3 PRO 17 1HD PRO 17 -2.871 -9.340 -2.173 122 H GLY 18 HN GLY 18 -4.929 -5.387 -5.844 123 HA2 GLY 18 2HA GLY 18 -6.810 -4.044 -5.989 124 HA3 GLY 18 1HA GLY 18 -7.543 -4.973 -4.689 125 H CYS 19 HN CYS 19 -4.414 -3.796 -4.197 126 HA CYS 19 HA CYS 19 -5.439 -1.612 -2.537 127 HB2 CYS 19 2HB CYS 19 -4.561 -3.668 -1.310 128 HB3 CYS 19 1HB CYS 19 -2.985 -3.289 -1.988 129 H SER 20 HN SER 20 -4.391 0.312 -2.865 130 HA SER 20 HA SER 20 -2.723 0.367 -5.213 131 HB2 SER 20 2HB SER 20 -3.967 2.608 -3.637 132 HB3 SER 20 1HB SER 20 -3.313 2.685 -5.277 133 HG SER 20 HG SER 20 -5.019 0.717 -5.259 134 H CYS 21 HN CYS 21 -0.618 0.437 -4.972 135 HA CYS 21 HA CYS 21 0.605 1.013 -2.466 136 HB2 CYS 21 2HB CYS 21 1.596 -0.657 -3.948 137 HB3 CYS 21 1HB CYS 21 1.761 0.544 -5.217 138 H ARG 22 HN ARG 22 0.783 3.020 -1.768 139 HA ARG 22 HA ARG 22 1.555 5.113 -3.678 140 HB2 ARG 22 2HB ARG 22 0.195 5.562 -1.006 141 HB3 ARG 22 1HB ARG 22 0.481 6.725 -2.278 142 HG2 ARG 22 2HG ARG 22 -1.470 4.440 -2.436 143 HG3 ARG 22 1HG ARG 22 -1.884 6.102 -2.042 144 HD2 ARG 22 2HD ARG 22 -1.033 6.783 -4.259 145 HD3 ARG 22 1HD ARG 22 -0.741 5.076 -4.630 146 HE ARG 22 HE ARG 22 -3.397 5.709 -3.758 147 HH11 ARG 22 1HH1 ARG 22 -1.301 5.409 -6.608 148 HH12 ARG 22 2HH1 ARG 22 -2.591 5.061 -7.669 149 HH21 ARG 22 1HH2 ARG 22 -5.152 5.309 -5.234 150 HH22 ARG 22 2HH2 ARG 22 -4.851 5.052 -6.880 151 H ARG 23 HN ARG 23 3.696 4.564 -3.355 152 HA ARG 23 HA ARG 23 4.828 3.572 -1.090 153 HB2 ARG 23 2HB ARG 23 6.270 5.310 -3.086 154 HB3 ARG 23 1HB ARG 23 7.015 4.199 -1.967 155 HG2 ARG 23 2HG ARG 23 5.980 2.302 -3.038 156 HG3 ARG 23 1HG ARG 23 5.113 3.354 -4.146 157 HD2 ARG 23 2HD ARG 23 7.290 4.139 -5.026 158 HD3 ARG 23 1HD ARG 23 8.098 2.987 -3.960 159 HE ARG 23 HE ARG 23 6.111 1.832 -5.692 160 HH11 ARG 23 1HH1 ARG 23 9.549 2.566 -5.293 161 HH12 ARG 23 2HH1 ARG 23 10.057 1.542 -6.548 162 HH21 ARG 23 1HH2 ARG 23 6.840 0.368 -7.410 163 HH22 ARG 23 2HH2 ARG 23 8.501 0.267 -7.750 164 HA PRO 24 HA PRO 24 6.262 3.356 0.157 165 HB2 PRO 24 2HB PRO 24 7.023 3.345 2.676 166 HB3 PRO 24 1HB PRO 24 7.906 4.281 1.465 167 HG2 PRO 24 2HG PRO 24 6.014 5.218 3.568 168 HG3 PRO 24 1HG PRO 24 7.455 6.018 2.927 169 HD2 PRO 24 2HD PRO 24 4.758 6.471 2.154 170 HD3 PRO 24 1HD PRO 24 6.214 7.120 1.377 171 H VAL 25 HN VAL 25 3.191 4.190 0.792 172 HA VAL 25 HA VAL 25 2.757 1.989 2.707 173 HB VAL 25 HB VAL 25 1.177 4.594 2.732 174 HG11 VAL 25 1HG1 VAL 25 -0.176 2.721 3.463 175 HG12 VAL 25 2HG1 VAL 25 0.196 3.784 4.821 176 HG13 VAL 25 3HG1 VAL 25 1.063 2.260 4.630 177 HG21 VAL 25 1HG2 VAL 25 3.420 4.983 3.579 178 HG22 VAL 25 2HG2 VAL 25 3.256 3.622 4.687 179 HG23 VAL 25 3HG2 VAL 25 2.247 5.052 4.893 180 H CYS 26 HN CYS 26 0.849 0.767 2.454 181 HA CYS 26 HA CYS 26 -0.334 0.844 -0.192 182 HB2 CYS 26 2HB CYS 26 -0.579 -1.088 2.096 183 HB3 CYS 26 1HB CYS 26 -1.466 -1.247 0.588 184 H TYR 27 HN TYR 27 -2.088 1.989 -0.565 185 HA TYR 27 HA TYR 27 -4.037 2.421 1.587 186 HB2 TYR 27 2HB TYR 27 -3.482 4.078 -0.895 187 HB3 TYR 27 1HB TYR 27 -4.788 4.371 0.239 188 HD1 TYR 27 1HD TYR 27 -4.441 5.844 2.025 189 HD2 TYR 27 2HD TYR 27 -1.069 4.204 0.049 190 HE1 TYR 27 1HE TYR 27 -2.970 7.347 3.294 191 HE2 TYR 27 2HE TYR 27 0.406 5.695 1.295 192 HH TYR 27 HH TYR 27 -0.519 7.377 4.004 193 H LYS 28 HN LYS 28 -6.053 1.730 1.220 194 HA LYS 28 HA LYS 28 -6.582 0.628 -1.438 195 HB2 LYS 28 2HB LYS 28 -6.276 -1.171 0.271 196 HB3 LYS 28 1HB LYS 28 -7.601 -0.467 1.191 197 HG2 LYS 28 2HG LYS 28 -9.149 -0.933 -0.619 198 HG3 LYS 28 1HG LYS 28 -7.836 -1.554 -1.610 199 HD2 LYS 28 2HD LYS 28 -7.392 -3.272 0.148 200 HD3 LYS 28 1HD LYS 28 -8.836 -2.714 0.989 201 HE2 LYS 28 2HE LYS 28 -8.726 -3.859 -1.802 202 HE3 LYS 28 1HE LYS 28 -9.290 -4.704 -0.365 203 HZ1 LYS 28 1HZ LYS 28 -11.118 -3.127 -0.194 204 HZ2 LYS 28 2HZ LYS 28 -11.103 -3.816 -1.735 205 HZ3 LYS 28 3HZ LYS 28 -10.532 -2.266 -1.510 206 H ASN 29 HN ASN 29 -8.130 1.645 -2.354 207 HA ASN 29 HA ASN 29 -10.069 2.683 -2.775 208 HB2 ASN 29 2HB ASN 29 -11.165 1.329 -1.023 209 HB3 ASN 29 1HB ASN 29 -10.654 2.486 0.193 210 HD21 ASN 29 1HD2 ASN 29 -12.798 1.775 -2.322 211 HD22 ASN 29 2HD2 ASN 29 -13.883 3.105 -2.113 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 -6.930 3.734 -1.399 2 HA2 GLY 1 2HA GLY 1 -6.121 5.889 -0.846 3 HA3 GLY 1 1HA GLY 1 -7.770 6.490 -0.907 4 H LEU 2 HN LEU 2 -8.000 3.775 0.840 5 HA LEU 2 HA LEU 2 -7.810 5.259 3.357 6 HB2 LEU 2 2HB LEU 2 -9.254 2.714 2.636 7 HB3 LEU 2 1HB LEU 2 -9.306 3.484 4.211 8 HG LEU 2 HG LEU 2 -10.389 4.669 1.651 9 HD11 LEU 2 1HD1 LEU 2 -12.584 4.186 2.620 10 HD12 LEU 2 2HD1 LEU 2 -11.802 3.348 3.962 11 HD13 LEU 2 3HD1 LEU 2 -11.659 2.715 2.323 12 HD21 LEU 2 1HD2 LEU 2 -11.464 6.287 3.146 13 HD22 LEU 2 2HD2 LEU 2 -9.708 6.364 3.270 14 HD23 LEU 2 3HD2 LEU 2 -10.646 5.555 4.526 15 HA PRO 3 HA PRO 3 -4.295 2.771 4.531 16 HB2 PRO 3 2HB PRO 3 -4.316 3.178 7.179 17 HB3 PRO 3 1HB PRO 3 -3.986 4.506 6.057 18 HG2 PRO 3 2HG PRO 3 -6.580 3.770 7.385 19 HG3 PRO 3 1HG PRO 3 -5.790 5.355 7.329 20 HD2 PRO 3 2HD PRO 3 -7.769 4.715 5.635 21 HD3 PRO 3 1HD PRO 3 -6.397 5.716 5.118 22 H ILE 4 HN ILE 4 -6.851 1.381 4.242 23 HA ILE 4 HA ILE 4 -7.560 -0.287 6.397 24 HB ILE 4 HB ILE 4 -7.770 -0.906 3.437 25 HG12 ILE 4 2HG1 ILE 4 -8.847 1.202 3.951 26 HG13 ILE 4 1HG1 ILE 4 -10.063 -0.015 3.591 27 HG21 ILE 4 1HG2 ILE 4 -9.634 -2.381 4.055 28 HG22 ILE 4 2HG2 ILE 4 -9.296 -2.077 5.759 29 HG23 ILE 4 3HG2 ILE 4 -8.102 -2.904 4.755 30 HD11 ILE 4 1HD1 ILE 4 -9.280 0.983 6.324 31 HD12 ILE 4 2HD1 ILE 4 -10.482 -0.265 5.995 32 HD13 ILE 4 3HD1 ILE 4 -10.747 1.388 5.434 33 H CYS 5 HN CYS 5 -5.305 -0.777 3.735 34 HA CYS 5 HA CYS 5 -4.591 -3.403 4.392 35 HB2 CYS 5 2HB CYS 5 -2.998 -1.335 2.875 36 HB3 CYS 5 1HB CYS 5 -2.743 -3.076 2.822 37 H GLY 6 HN GLY 6 -2.831 -0.317 4.954 38 HA2 GLY 6 2HA GLY 6 -1.457 0.285 6.687 39 HA3 GLY 6 1HA GLY 6 -1.909 -1.203 7.511 40 H GLU 7 HN GLU 7 -0.865 -1.681 4.382 41 HA GLU 7 HA GLU 7 1.572 -2.923 5.316 42 HB2 GLU 7 2HB GLU 7 0.205 -2.976 2.636 43 HB3 GLU 7 1HB GLU 7 1.726 -3.777 2.981 44 HG2 GLU 7 2HG GLU 7 -0.894 -4.323 4.308 45 HG3 GLU 7 1HG GLU 7 -0.116 -5.291 3.038 46 H THR 8 HN THR 8 3.363 -2.770 3.744 47 HA THR 8 HA THR 8 3.766 0.023 2.973 48 HB THR 8 HB THR 8 6.155 -0.264 3.744 49 HG1 THR 8 1HG THR 8 5.497 -2.691 4.122 50 HG21 THR 8 1HG2 THR 8 4.562 1.127 4.987 51 HG22 THR 8 2HG2 THR 8 5.628 0.272 6.104 52 HG23 THR 8 3HG2 THR 8 3.978 -0.297 5.850 53 H CYS 9 HN CYS 9 4.628 0.312 1.054 54 HA CYS 9 HA CYS 9 5.364 -1.962 -0.634 55 HB2 CYS 9 2HB CYS 9 5.462 0.992 -1.276 56 HB3 CYS 9 1HB CYS 9 5.573 -0.332 -2.420 57 H LEU 10 HN LEU 10 7.176 -2.214 1.067 58 HA LEU 10 HA LEU 10 9.219 -0.329 1.336 59 HB2 LEU 10 2HB LEU 10 9.336 -3.305 1.745 60 HB3 LEU 10 1HB LEU 10 10.586 -2.187 2.247 61 HG LEU 10 HG LEU 10 7.752 -2.220 3.289 62 HD11 LEU 10 1HD1 LEU 10 8.758 -3.032 5.356 63 HD12 LEU 10 2HD1 LEU 10 10.335 -3.095 4.567 64 HD13 LEU 10 3HD1 LEU 10 9.031 -4.149 4.021 65 HD21 LEU 10 1HD2 LEU 10 10.150 -0.577 4.119 66 HD22 LEU 10 2HD2 LEU 10 8.607 -0.632 4.963 67 HD23 LEU 10 3HD2 LEU 10 8.690 0.032 3.335 68 H LEU 11 HN LEU 11 8.911 -2.969 -0.960 69 HA LEU 11 HA LEU 11 11.522 -2.192 -2.017 70 HB2 LEU 11 2HB LEU 11 9.983 -4.733 -2.448 71 HB3 LEU 11 1HB LEU 11 11.526 -4.366 -3.193 72 HG LEU 11 HG LEU 11 11.021 -4.685 -0.232 73 HD11 LEU 11 1HD1 LEU 11 10.843 -6.778 -1.455 74 HD12 LEU 11 2HD1 LEU 11 12.294 -6.739 -0.456 75 HD13 LEU 11 3HD1 LEU 11 12.417 -6.489 -2.198 76 HD21 LEU 11 1HD2 LEU 11 13.470 -4.632 -0.038 77 HD22 LEU 11 2HD2 LEU 11 12.837 -3.111 -0.656 78 HD23 LEU 11 3HD2 LEU 11 13.599 -4.262 -1.757 79 H GLY 12 HN GLY 12 8.420 -1.421 -2.674 80 HA2 GLY 12 2HA GLY 12 8.536 0.173 -4.649 81 HA3 GLY 12 1HA GLY 12 9.018 -1.247 -5.555 82 H LYS 13 HN LYS 13 7.132 -3.031 -4.250 83 HA LYS 13 HA LYS 13 4.681 -1.980 -5.489 84 HB2 LYS 13 2HB LYS 13 5.651 -3.822 -6.792 85 HB3 LYS 13 1HB LYS 13 5.701 -4.830 -5.358 86 HG2 LYS 13 2HG LYS 13 3.234 -4.788 -5.256 87 HG3 LYS 13 1HG LYS 13 3.209 -3.819 -6.725 88 HD2 LYS 13 2HD LYS 13 4.189 -5.612 -7.982 89 HD3 LYS 13 1HD LYS 13 4.398 -6.579 -6.521 90 HE2 LYS 13 2HE LYS 13 1.757 -5.663 -7.663 91 HE3 LYS 13 1HE LYS 13 2.457 -7.262 -7.884 92 HZ1 LYS 13 1HZ LYS 13 0.785 -7.193 -6.118 93 HZ2 LYS 13 2HZ LYS 13 1.724 -6.119 -5.215 94 HZ3 LYS 13 3HZ LYS 13 2.283 -7.671 -5.550 95 H CYS 14 HN CYS 14 2.710 -2.548 -4.465 96 HA CYS 14 HA CYS 14 2.934 -2.983 -1.648 97 HB2 CYS 14 2HB CYS 14 1.242 -1.434 -2.546 98 HB3 CYS 14 1HB CYS 14 0.465 -2.776 -3.392 99 H TYR 15 HN TYR 15 2.260 -4.767 -0.588 100 HA TYR 15 HA TYR 15 2.490 -7.176 -2.133 101 HB2 TYR 15 2HB TYR 15 2.338 -6.794 0.856 102 HB3 TYR 15 1HB TYR 15 2.760 -8.291 0.024 103 HD1 TYR 15 1HD TYR 15 4.082 -5.339 1.490 104 HD2 TYR 15 2HD TYR 15 4.750 -8.121 -1.652 105 HE1 TYR 15 1HE TYR 15 6.407 -4.615 1.347 106 HE2 TYR 15 2HE TYR 15 7.074 -7.418 -1.792 107 HH TYR 15 HH TYR 15 8.367 -5.453 -1.284 108 H THR 16 HN THR 16 -0.042 -5.398 -0.599 109 HA THR 16 HA THR 16 -1.800 -7.688 -0.583 110 HB THR 16 HB THR 16 -2.378 -4.794 0.103 111 HG1 THR 16 1HG THR 16 -1.160 -6.884 1.430 112 HG21 THR 16 1HG2 THR 16 -3.880 -7.340 0.787 113 HG22 THR 16 2HG2 THR 16 -4.381 -6.162 -0.423 114 HG23 THR 16 3HG2 THR 16 -4.334 -5.705 1.278 115 HA PRO 17 HA PRO 17 -3.130 -6.570 -4.727 116 HB2 PRO 17 2HB PRO 17 -4.893 -8.596 -5.053 117 HB3 PRO 17 1HB PRO 17 -3.147 -8.835 -5.190 118 HG2 PRO 17 2HG PRO 17 -4.968 -9.428 -2.905 119 HG3 PRO 17 1HG PRO 17 -3.622 -10.389 -3.539 120 HD2 PRO 17 2HD PRO 17 -3.444 -8.814 -1.323 121 HD3 PRO 17 1HD PRO 17 -2.058 -9.176 -2.373 122 H GLY 18 HN GLY 18 -4.805 -5.368 -5.467 123 HA2 GLY 18 2HA GLY 18 -6.906 -4.355 -5.525 124 HA3 GLY 18 1HA GLY 18 -7.386 -5.339 -4.144 125 H CYS 19 HN CYS 19 -4.436 -3.651 -3.992 126 HA CYS 19 HA CYS 19 -5.573 -1.527 -2.351 127 HB2 CYS 19 2HB CYS 19 -4.748 -3.487 -0.975 128 HB3 CYS 19 1HB CYS 19 -3.158 -3.228 -1.667 129 H SER 20 HN SER 20 -4.671 0.410 -3.008 130 HA SER 20 HA SER 20 -2.732 0.221 -5.097 131 HB2 SER 20 2HB SER 20 -3.179 2.732 -5.303 132 HB3 SER 20 1HB SER 20 -4.516 1.651 -5.676 133 HG SER 20 HG SER 20 -4.388 2.403 -3.036 134 H CYS 21 HN CYS 21 -0.759 1.012 -5.107 135 HA CYS 21 HA CYS 21 0.451 1.265 -2.502 136 HB2 CYS 21 2HB CYS 21 1.455 -0.243 -4.138 137 HB3 CYS 21 1HB CYS 21 1.657 1.095 -5.255 138 H ARG 22 HN ARG 22 1.091 3.109 -1.653 139 HA ARG 22 HA ARG 22 1.729 5.358 -3.388 140 HB2 ARG 22 2HB ARG 22 -0.526 5.581 -2.182 141 HB3 ARG 22 1HB ARG 22 0.380 5.532 -0.681 142 HG2 ARG 22 2HG ARG 22 1.574 7.564 -1.356 143 HG3 ARG 22 1HG ARG 22 0.605 7.628 -2.828 144 HD2 ARG 22 2HD ARG 22 -0.386 7.824 0.012 145 HD3 ARG 22 1HD ARG 22 -0.349 9.107 -1.197 146 HE ARG 22 HE ARG 22 -1.877 6.932 -2.145 147 HH11 ARG 22 1HH1 ARG 22 -2.070 9.582 0.192 148 HH12 ARG 22 2HH1 ARG 22 -3.778 9.602 0.236 149 HH21 ARG 22 1HH2 ARG 22 -4.234 7.002 -2.113 150 HH22 ARG 22 2HH2 ARG 22 -5.019 8.162 -1.142 151 H ARG 23 HN ARG 23 3.822 4.332 -3.159 152 HA ARG 23 HA ARG 23 4.887 3.239 -0.972 153 HB2 ARG 23 2HB ARG 23 5.762 3.240 -3.363 154 HB3 ARG 23 1HB ARG 23 6.485 4.799 -2.963 155 HG2 ARG 23 2HG ARG 23 7.800 3.831 -1.274 156 HG3 ARG 23 1HG ARG 23 7.063 2.249 -1.520 157 HD2 ARG 23 2HD ARG 23 7.925 2.285 -3.864 158 HD3 ARG 23 1HD ARG 23 8.806 3.761 -3.458 159 HE ARG 23 HE ARG 23 9.371 1.770 -1.570 160 HH11 ARG 23 1HH1 ARG 23 10.128 2.553 -4.948 161 HH12 ARG 23 2HH1 ARG 23 11.597 1.708 -4.959 162 HH21 ARG 23 1HH2 ARG 23 11.398 0.547 -1.618 163 HH22 ARG 23 2HH2 ARG 23 12.326 0.565 -3.045 164 HA PRO 24 HA PRO 24 6.327 2.863 0.273 165 HB2 PRO 24 2HB PRO 24 6.998 2.733 2.808 166 HB3 PRO 24 1HB PRO 24 8.035 3.543 1.626 167 HG2 PRO 24 2HG PRO 24 6.189 4.734 3.649 168 HG3 PRO 24 1HG PRO 24 7.783 5.298 3.128 169 HD2 PRO 24 2HD PRO 24 5.289 6.228 2.186 170 HD3 PRO 24 1HD PRO 24 6.873 6.550 1.454 171 H VAL 25 HN VAL 25 3.414 4.213 1.007 172 HA VAL 25 HA VAL 25 2.701 2.059 2.894 173 HB VAL 25 HB VAL 25 1.310 4.747 2.633 174 HG11 VAL 25 1HG1 VAL 25 0.949 2.564 4.689 175 HG12 VAL 25 2HG1 VAL 25 -0.195 2.998 3.421 176 HG13 VAL 25 3HG1 VAL 25 0.160 4.142 4.717 177 HG21 VAL 25 1HG2 VAL 25 3.528 5.052 3.570 178 HG22 VAL 25 2HG2 VAL 25 3.221 3.786 4.759 179 HG23 VAL 25 3HG2 VAL 25 2.302 5.289 4.818 180 H CYS 26 HN CYS 26 0.836 0.879 2.550 181 HA CYS 26 HA CYS 26 -0.288 0.970 -0.140 182 HB2 CYS 26 2HB CYS 26 -0.543 -1.017 2.101 183 HB3 CYS 26 1HB CYS 26 -1.391 -1.156 0.570 184 H TYR 27 HN TYR 27 -2.147 1.952 -0.528 185 HA TYR 27 HA TYR 27 -4.078 2.272 1.648 186 HB2 TYR 27 2HB TYR 27 -3.396 4.130 -0.620 187 HB3 TYR 27 1HB TYR 27 -4.897 4.257 0.285 188 HD1 TYR 27 1HD TYR 27 -1.273 4.727 0.385 189 HD2 TYR 27 2HD TYR 27 -4.903 5.053 2.554 190 HE1 TYR 27 1HE TYR 27 -0.151 6.137 2.044 191 HE2 TYR 27 2HE TYR 27 -3.821 6.443 4.219 192 HH TYR 27 HH TYR 27 -0.778 7.813 3.654 193 H LYS 28 HN LYS 28 -5.880 1.253 1.313 194 HA LYS 28 HA LYS 28 -6.463 0.190 -1.337 195 HB2 LYS 28 2HB LYS 28 -6.595 -1.368 0.537 196 HB3 LYS 28 1HB LYS 28 -7.741 -0.310 1.357 197 HG2 LYS 28 2HG LYS 28 -9.343 -0.662 -0.439 198 HG3 LYS 28 1HG LYS 28 -8.190 -1.716 -1.258 199 HD2 LYS 28 2HD LYS 28 -8.228 -3.236 0.654 200 HD3 LYS 28 1HD LYS 28 -9.383 -2.175 1.470 201 HE2 LYS 28 2HE LYS 28 -10.546 -4.018 0.407 202 HE3 LYS 28 1HE LYS 28 -10.957 -2.488 -0.357 203 HZ1 LYS 28 1HZ LYS 28 -9.362 -3.015 -2.138 204 HZ2 LYS 28 2HZ LYS 28 -10.585 -4.150 -2.005 205 HZ3 LYS 28 3HZ LYS 28 -9.054 -4.507 -1.402 206 H ASN 29 HN ASN 29 -7.587 1.516 -2.595 207 HA ASN 29 HA ASN 29 -9.065 3.050 -3.343 208 HB2 ASN 29 2HB ASN 29 -10.688 1.420 -2.381 209 HB3 ASN 29 1HB ASN 29 -10.605 2.254 -0.842 210 HD21 ASN 29 1HD2 ASN 29 -12.768 2.562 -0.864 211 HD22 ASN 29 2HD2 ASN 29 -13.577 3.722 -1.857 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 -8.250 4.193 -0.327 2 HA2 GLY 1 2HA GLY 1 -6.133 5.889 -1.169 3 HA3 GLY 1 1HA GLY 1 -7.620 6.804 -0.941 4 H LEU 2 HN LEU 2 -7.114 3.976 1.037 5 HA LEU 2 HA LEU 2 -6.365 5.704 3.258 6 HB2 LEU 2 2HB LEU 2 -8.611 3.702 3.189 7 HB3 LEU 2 1HB LEU 2 -8.002 4.438 4.658 8 HG LEU 2 HG LEU 2 -9.226 5.970 2.366 9 HD11 LEU 2 1HD1 LEU 2 -10.390 5.160 5.015 10 HD12 LEU 2 2HD1 LEU 2 -10.868 4.540 3.434 11 HD13 LEU 2 3HD1 LEU 2 -11.153 6.231 3.842 12 HD21 LEU 2 1HD2 LEU 2 -8.456 6.807 5.163 13 HD22 LEU 2 2HD2 LEU 2 -9.266 7.821 3.970 14 HD23 LEU 2 3HD2 LEU 2 -7.624 7.270 3.680 15 HA PRO 3 HA PRO 3 -3.642 2.287 4.003 16 HB2 PRO 3 2HB PRO 3 -3.127 3.058 6.722 17 HB3 PRO 3 1HB PRO 3 -2.121 3.371 5.309 18 HG2 PRO 3 2HG PRO 3 -3.477 5.313 6.757 19 HG3 PRO 3 1HG PRO 3 -2.880 5.502 5.103 20 HD2 PRO 3 2HD PRO 3 -5.638 4.928 6.076 21 HD3 PRO 3 1HD PRO 3 -5.091 5.890 4.683 22 H ILE 4 HN ILE 4 -5.172 0.692 3.989 23 HA ILE 4 HA ILE 4 -6.362 -0.031 6.589 24 HB ILE 4 HB ILE 4 -7.298 -0.844 3.827 25 HG12 ILE 4 2HG1 ILE 4 -7.629 1.571 4.161 26 HG13 ILE 4 1HG1 ILE 4 -9.165 0.718 4.130 27 HG21 ILE 4 1HG2 ILE 4 -8.614 -1.161 6.512 28 HG22 ILE 4 2HG2 ILE 4 -7.880 -2.442 5.541 29 HG23 ILE 4 3HG2 ILE 4 -9.308 -1.587 4.944 30 HD11 ILE 4 1HD1 ILE 4 -9.255 0.854 6.586 31 HD12 ILE 4 2HD1 ILE 4 -9.173 2.441 5.824 32 HD13 ILE 4 3HD1 ILE 4 -7.735 1.751 6.576 33 H CYS 5 HN CYS 5 -4.453 -1.119 3.911 34 HA CYS 5 HA CYS 5 -4.694 -3.896 4.237 35 HB2 CYS 5 2HB CYS 5 -2.449 -2.369 2.930 36 HB3 CYS 5 1HB CYS 5 -3.005 -4.002 2.562 37 H GLY 6 HN GLY 6 -2.522 -1.498 5.569 38 HA2 GLY 6 2HA GLY 6 -1.059 -1.693 7.358 39 HA3 GLY 6 1HA GLY 6 -1.525 -3.391 7.492 40 H GLU 7 HN GLU 7 -0.360 -1.686 4.707 41 HA GLU 7 HA GLU 7 2.103 -3.250 4.693 42 HB2 GLU 7 2HB GLU 7 0.142 -2.914 2.414 43 HB3 GLU 7 1HB GLU 7 1.787 -3.492 2.200 44 HG2 GLU 7 2HG GLU 7 1.352 -5.453 3.441 45 HG3 GLU 7 1HG GLU 7 -0.189 -4.827 4.013 46 H THR 8 HN THR 8 3.802 -2.224 3.600 47 HA THR 8 HA THR 8 3.306 0.537 2.884 48 HB THR 8 HB THR 8 5.660 0.929 3.952 49 HG1 THR 8 1HG THR 8 4.744 -1.198 5.567 50 HG21 THR 8 1HG2 THR 8 4.635 1.478 6.130 51 HG22 THR 8 2HG2 THR 8 3.215 0.525 5.693 52 HG23 THR 8 3HG2 THR 8 3.610 1.986 4.787 53 H CYS 9 HN CYS 9 4.552 1.268 1.204 54 HA CYS 9 HA CYS 9 5.755 -0.841 -0.343 55 HB2 CYS 9 2HB CYS 9 5.541 2.060 -1.169 56 HB3 CYS 9 1HB CYS 9 5.904 0.649 -2.162 57 H LEU 10 HN LEU 10 7.364 -1.054 1.323 58 HA LEU 10 HA LEU 10 9.508 0.899 1.247 59 HB2 LEU 10 2HB LEU 10 9.380 -1.801 2.609 60 HB3 LEU 10 1HB LEU 10 10.658 -0.620 2.813 61 HG LEU 10 HG LEU 10 7.786 -0.301 3.689 62 HD11 LEU 10 1HD1 LEU 10 9.027 -1.873 5.058 63 HD12 LEU 10 2HD1 LEU 10 8.707 -0.385 5.945 64 HD13 LEU 10 3HD1 LEU 10 10.312 -0.686 5.280 65 HD21 LEU 10 1HD2 LEU 10 8.560 1.765 4.777 66 HD22 LEU 10 2HD2 LEU 10 8.721 1.851 3.026 67 HD23 LEU 10 3HD2 LEU 10 10.144 1.560 4.029 68 H LEU 11 HN LEU 11 8.629 -2.230 0.025 69 HA LEU 11 HA LEU 11 11.142 -2.554 -1.365 70 HB2 LEU 11 2HB LEU 11 8.631 -4.254 -1.353 71 HB3 LEU 11 1HB LEU 11 10.068 -4.639 -2.261 72 HG LEU 11 HG LEU 11 11.298 -4.804 -0.049 73 HD11 LEU 11 1HD1 LEU 11 8.523 -4.773 1.107 74 HD12 LEU 11 2HD1 LEU 11 9.777 -3.560 1.363 75 HD13 LEU 11 3HD1 LEU 11 10.004 -5.201 1.967 76 HD21 LEU 11 1HD2 LEU 11 9.014 -6.695 -0.535 77 HD22 LEU 11 2HD2 LEU 11 10.453 -7.037 0.426 78 HD23 LEU 11 3HD2 LEU 11 10.596 -6.750 -1.310 79 H GLY 12 HN GLY 12 7.957 -1.415 -1.838 80 HA2 GLY 12 2HA GLY 12 7.840 0.318 -3.620 81 HA3 GLY 12 1HA GLY 12 8.624 -0.852 -4.665 82 H LYS 13 HN LYS 13 6.707 -2.808 -3.097 83 HA LYS 13 HA LYS 13 4.284 -2.161 -4.578 84 HB2 LYS 13 2HB LYS 13 5.678 -3.518 -6.104 85 HB3 LYS 13 1HB LYS 13 5.752 -4.789 -4.899 86 HG2 LYS 13 2HG LYS 13 4.155 -5.374 -6.602 87 HG3 LYS 13 1HG LYS 13 3.315 -5.070 -5.083 88 HD2 LYS 13 2HD LYS 13 2.729 -2.807 -5.874 89 HD3 LYS 13 1HD LYS 13 3.542 -3.145 -7.404 90 HE2 LYS 13 2HE LYS 13 1.153 -4.613 -6.287 91 HE3 LYS 13 1HE LYS 13 1.125 -3.444 -7.606 92 HZ1 LYS 13 1HZ LYS 13 2.511 -6.067 -7.622 93 HZ2 LYS 13 2HZ LYS 13 2.545 -4.952 -8.877 94 HZ3 LYS 13 3HZ LYS 13 1.098 -5.695 -8.444 95 H CYS 14 HN CYS 14 2.399 -3.085 -3.722 96 HA CYS 14 HA CYS 14 2.593 -4.170 -1.034 97 HB2 CYS 14 2HB CYS 14 0.114 -3.623 -2.679 98 HB3 CYS 14 1HB CYS 14 0.241 -3.740 -0.928 99 H TYR 15 HN TYR 15 1.071 -6.132 -0.606 100 HA TYR 15 HA TYR 15 1.494 -7.975 -2.835 101 HB2 TYR 15 2HB TYR 15 1.168 -8.524 0.101 102 HB3 TYR 15 1HB TYR 15 1.348 -9.767 -1.131 103 HD1 TYR 15 1HD TYR 15 3.073 -7.193 0.812 104 HD2 TYR 15 2HD TYR 15 3.462 -10.061 -2.301 105 HE1 TYR 15 1HE TYR 15 5.509 -6.987 0.934 106 HE2 TYR 15 2HE TYR 15 5.895 -9.872 -2.182 107 HH TYR 15 HH TYR 15 7.500 -8.324 0.342 108 H THR 16 HN THR 16 -0.921 -6.807 -0.590 109 HA THR 16 HA THR 16 -2.927 -8.627 -1.342 110 HB THR 16 HB THR 16 -3.226 -5.859 -0.180 111 HG1 THR 16 1HG THR 16 -2.271 -6.749 1.397 112 HG21 THR 16 1HG2 THR 16 -5.076 -8.251 -0.140 113 HG22 THR 16 2HG2 THR 16 -5.326 -6.766 -1.062 114 HG23 THR 16 3HG2 THR 16 -5.338 -6.725 0.704 115 HA PRO 17 HA PRO 17 -4.058 -6.659 -5.288 116 HB2 PRO 17 2HB PRO 17 -6.224 -8.658 -5.198 117 HB3 PRO 17 1HB PRO 17 -4.984 -8.434 -6.437 118 HG2 PRO 17 2HG PRO 17 -4.947 -10.551 -4.793 119 HG3 PRO 17 1HG PRO 17 -3.450 -9.763 -5.325 120 HD2 PRO 17 2HD PRO 17 -4.905 -9.502 -2.720 121 HD3 PRO 17 1HD PRO 17 -3.158 -9.654 -3.042 122 H GLY 18 HN GLY 18 -5.456 -5.000 -5.477 123 HA2 GLY 18 2HA GLY 18 -7.506 -3.869 -5.183 124 HA3 GLY 18 1HA GLY 18 -7.901 -4.973 -3.868 125 H CYS 19 HN CYS 19 -4.742 -3.834 -3.821 126 HA CYS 19 HA CYS 19 -5.355 -1.612 -2.049 127 HB2 CYS 19 2HB CYS 19 -4.689 -3.702 -0.779 128 HB3 CYS 19 1HB CYS 19 -3.161 -3.668 -1.648 129 H SER 20 HN SER 20 -4.354 0.156 -2.854 130 HA SER 20 HA SER 20 -2.580 -0.212 -5.114 131 HB2 SER 20 2HB SER 20 -3.873 2.269 -3.996 132 HB3 SER 20 1HB SER 20 -3.070 2.107 -5.563 133 HG SER 20 HG SER 20 -5.004 0.233 -5.102 134 H CYS 21 HN CYS 21 -0.534 0.743 -5.212 135 HA CYS 21 HA CYS 21 0.672 1.221 -2.618 136 HB2 CYS 21 2HB CYS 21 1.780 -0.443 -3.961 137 HB3 CYS 21 1HB CYS 21 1.850 0.655 -5.332 138 H ARG 22 HN ARG 22 0.888 3.231 -1.958 139 HA ARG 22 HA ARG 22 1.677 5.235 -3.919 140 HB2 ARG 22 2HB ARG 22 -0.636 5.711 -3.029 141 HB3 ARG 22 1HB ARG 22 0.039 5.696 -1.406 142 HG2 ARG 22 2HG ARG 22 -0.246 7.963 -2.055 143 HG3 ARG 22 1HG ARG 22 1.481 7.610 -2.042 144 HD2 ARG 22 2HD ARG 22 1.313 7.203 -4.513 145 HD3 ARG 22 1HD ARG 22 -0.338 7.796 -4.424 146 HE ARG 22 HE ARG 22 1.958 9.411 -3.593 147 HH11 ARG 22 1HH1 ARG 22 -1.045 9.059 -5.445 148 HH12 ARG 22 2HH1 ARG 22 -1.041 10.645 -6.041 149 HH21 ARG 22 1HH2 ARG 22 1.975 11.615 -4.421 150 HH22 ARG 22 2HH2 ARG 22 0.748 12.136 -5.467 151 H ARG 23 HN ARG 23 3.788 4.730 -3.511 152 HA ARG 23 HA ARG 23 4.891 3.947 -1.147 153 HB2 ARG 23 2HB ARG 23 7.111 4.562 -2.055 154 HB3 ARG 23 1HB ARG 23 6.115 3.664 -3.178 155 HG2 ARG 23 2HG ARG 23 5.586 5.736 -4.364 156 HG3 ARG 23 1HG ARG 23 6.594 6.638 -3.230 157 HD2 ARG 23 2HD ARG 23 8.543 5.339 -3.942 158 HD3 ARG 23 1HD ARG 23 7.515 4.421 -5.040 159 HE ARG 23 HE ARG 23 7.260 7.131 -5.644 160 HH11 ARG 23 1HH1 ARG 23 9.607 4.481 -5.971 161 HH12 ARG 23 2HH1 ARG 23 10.488 5.228 -7.214 162 HH21 ARG 23 1HH2 ARG 23 8.406 8.104 -7.381 163 HH22 ARG 23 2HH2 ARG 23 9.763 7.366 -8.084 164 HA PRO 24 HA PRO 24 6.349 3.797 0.174 165 HB2 PRO 24 2HB PRO 24 7.012 4.010 2.700 166 HB3 PRO 24 1HB PRO 24 7.920 4.888 1.464 167 HG2 PRO 24 2HG PRO 24 5.850 5.906 3.356 168 HG3 PRO 24 1HG PRO 24 7.361 6.665 2.830 169 HD2 PRO 24 2HD PRO 24 4.818 7.163 1.786 170 HD3 PRO 24 1HD PRO 24 6.360 7.618 1.035 171 H VAL 25 HN VAL 25 3.258 4.640 0.643 172 HA VAL 25 HA VAL 25 2.815 2.563 2.692 173 HB VAL 25 HB VAL 25 1.170 5.110 2.423 174 HG11 VAL 25 1HG1 VAL 25 -0.174 3.250 3.221 175 HG12 VAL 25 2HG1 VAL 25 0.088 4.425 4.512 176 HG13 VAL 25 3HG1 VAL 25 1.009 2.921 4.489 177 HG21 VAL 25 1HG2 VAL 25 3.360 5.611 3.356 178 HG22 VAL 25 2HG2 VAL 25 3.154 4.345 4.563 179 HG23 VAL 25 3HG2 VAL 25 2.112 5.769 4.593 180 H CYS 26 HN CYS 26 1.003 1.153 2.339 181 HA CYS 26 HA CYS 26 -0.054 1.275 -0.345 182 HB2 CYS 26 2HB CYS 26 -0.349 -0.775 1.855 183 HB3 CYS 26 1HB CYS 26 -1.029 -0.934 0.237 184 H TYR 27 HN TYR 27 -2.148 1.686 -0.803 185 HA TYR 27 HA TYR 27 -3.904 2.393 1.433 186 HB2 TYR 27 2HB TYR 27 -3.442 3.988 -1.093 187 HB3 TYR 27 1HB TYR 27 -4.779 4.257 0.009 188 HD1 TYR 27 1HD TYR 27 -1.156 4.535 -0.430 189 HD2 TYR 27 2HD TYR 27 -4.444 5.451 2.067 190 HE1 TYR 27 1HE TYR 27 0.236 6.148 0.791 191 HE2 TYR 27 2HE TYR 27 -3.075 7.054 3.313 192 HH TYR 27 HH TYR 27 -0.198 8.229 2.195 193 H LYS 28 HN LYS 28 -5.749 1.326 1.286 194 HA LYS 28 HA LYS 28 -6.505 0.206 -1.260 195 HB2 LYS 28 2HB LYS 28 -6.712 -1.232 0.672 196 HB3 LYS 28 1HB LYS 28 -7.738 -0.057 1.510 197 HG2 LYS 28 2HG LYS 28 -9.460 -0.406 -0.168 198 HG3 LYS 28 1HG LYS 28 -8.399 -1.516 -1.036 199 HD2 LYS 28 2HD LYS 28 -8.370 -2.989 0.932 200 HD3 LYS 28 1HD LYS 28 -9.490 -1.895 1.750 201 HE2 LYS 28 2HE LYS 28 -10.669 -3.792 0.752 202 HE3 LYS 28 1HE LYS 28 -11.138 -2.266 0.005 203 HZ1 LYS 28 1HZ LYS 28 -9.652 -2.758 -1.847 204 HZ2 LYS 28 2HZ LYS 28 -10.788 -3.959 -1.665 205 HZ3 LYS 28 3HZ LYS 28 -9.209 -4.224 -1.145 206 H ASN 29 HN ASN 29 -7.582 1.416 -2.572 207 HA ASN 29 HA ASN 29 -8.866 2.982 -3.534 208 HB2 ASN 29 2HB ASN 29 -10.128 3.427 -0.801 209 HB3 ASN 29 1HB ASN 29 -10.703 4.136 -2.301 210 HD21 ASN 29 1HD2 ASN 29 -11.671 2.774 -3.814 211 HD22 ASN 29 2HD2 ASN 29 -12.371 1.267 -3.375 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 -7.636 3.886 -1.612 2 HA2 GLY 1 2HA GLY 1 -6.880 6.112 -1.685 3 HA3 GLY 1 1HA GLY 1 -8.499 6.649 -1.279 4 H LEU 2 HN LEU 2 -8.150 4.369 0.921 5 HA LEU 2 HA LEU 2 -6.940 6.246 2.839 6 HB2 LEU 2 2HB LEU 2 -9.129 4.218 3.300 7 HB3 LEU 2 1HB LEU 2 -8.454 5.276 4.518 8 HG LEU 2 HG LEU 2 -10.086 6.108 2.124 9 HD11 LEU 2 1HD1 LEU 2 -10.697 6.171 5.071 10 HD12 LEU 2 2HD1 LEU 2 -11.395 5.073 3.880 11 HD13 LEU 2 3HD1 LEU 2 -11.729 6.802 3.788 12 HD21 LEU 2 1HD2 LEU 2 -9.986 8.377 3.071 13 HD22 LEU 2 2HD2 LEU 2 -8.397 7.796 2.589 14 HD23 LEU 2 3HD2 LEU 2 -8.849 7.809 4.295 15 HA PRO 3 HA PRO 3 -4.140 2.978 3.832 16 HB2 PRO 3 2HB PRO 3 -3.462 3.576 6.399 17 HB3 PRO 3 1HB PRO 3 -2.885 4.516 5.019 18 HG2 PRO 3 2HG PRO 3 -5.080 5.130 6.941 19 HG3 PRO 3 1HG PRO 3 -3.913 6.227 6.184 20 HD2 PRO 3 2HD PRO 3 -6.521 5.920 5.361 21 HD3 PRO 3 1HD PRO 3 -5.201 6.491 4.324 22 H ILE 4 HN ILE 4 -5.771 1.411 3.691 23 HA ILE 4 HA ILE 4 -6.987 0.550 6.227 24 HB ILE 4 HB ILE 4 -7.592 -0.340 3.404 25 HG12 ILE 4 2HG1 ILE 4 -8.217 2.001 3.714 26 HG13 ILE 4 1HG1 ILE 4 -9.656 1.002 3.580 27 HG21 ILE 4 1HG2 ILE 4 -9.620 -1.347 4.306 28 HG22 ILE 4 2HG2 ILE 4 -9.110 -0.902 5.936 29 HG23 ILE 4 3HG2 ILE 4 -8.163 -2.063 5.001 30 HD11 ILE 4 1HD1 ILE 4 -8.496 2.132 6.126 31 HD12 ILE 4 2HD1 ILE 4 -9.923 1.101 6.023 32 HD13 ILE 4 3HD1 ILE 4 -9.938 2.702 5.283 33 H CYS 5 HN CYS 5 -4.814 -0.476 3.685 34 HA CYS 5 HA CYS 5 -4.808 -3.223 4.226 35 HB2 CYS 5 2HB CYS 5 -2.641 -1.588 2.937 36 HB3 CYS 5 1HB CYS 5 -2.901 -3.323 2.764 37 H GLY 6 HN GLY 6 -2.836 -0.608 5.584 38 HA2 GLY 6 2HA GLY 6 -1.642 -0.676 7.572 39 HA3 GLY 6 1HA GLY 6 -2.001 -2.392 7.692 40 H GLU 7 HN GLU 7 -0.957 -3.045 5.129 41 HA GLU 7 HA GLU 7 1.782 -3.348 5.742 42 HB2 GLU 7 2HB GLU 7 0.276 -3.929 3.205 43 HB3 GLU 7 1HB GLU 7 1.954 -4.368 3.492 44 HG2 GLU 7 2HG GLU 7 -0.437 -5.331 5.020 45 HG3 GLU 7 1HG GLU 7 0.543 -6.226 3.838 46 H THR 8 HN THR 8 3.374 -2.947 3.910 47 HA THR 8 HA THR 8 3.041 -0.219 2.964 48 HB THR 8 HB THR 8 5.468 0.227 3.707 49 HG1 THR 8 1HG THR 8 4.835 -2.093 5.181 50 HG21 THR 8 1HG2 THR 8 4.763 0.974 5.929 51 HG22 THR 8 2HG2 THR 8 3.298 -0.005 5.792 52 HG23 THR 8 3HG2 THR 8 3.556 1.365 4.703 53 H CYS 9 HN CYS 9 4.556 0.424 1.346 54 HA CYS 9 HA CYS 9 5.168 -1.789 -0.455 55 HB2 CYS 9 2HB CYS 9 5.257 1.194 -0.890 56 HB3 CYS 9 1HB CYS 9 5.615 -0.005 -2.112 57 H LEU 10 HN LEU 10 6.953 -2.262 1.250 58 HA LEU 10 HA LEU 10 9.205 -0.550 1.304 59 HB2 LEU 10 2HB LEU 10 9.294 -3.552 1.751 60 HB3 LEU 10 1HB LEU 10 10.539 -2.423 2.202 61 HG LEU 10 HG LEU 10 9.579 -2.955 4.187 62 HD11 LEU 10 1HD1 LEU 10 8.111 -0.482 3.390 63 HD12 LEU 10 2HD1 LEU 10 9.733 -0.601 4.073 64 HD13 LEU 10 3HD1 LEU 10 8.334 -1.061 5.041 65 HD21 LEU 10 1HD2 LEU 10 6.818 -2.814 2.977 66 HD22 LEU 10 2HD2 LEU 10 7.191 -3.182 4.657 67 HD23 LEU 10 3HD2 LEU 10 7.717 -4.277 3.383 68 H LEU 11 HN LEU 11 8.132 -2.957 -0.861 69 HA LEU 11 HA LEU 11 10.638 -3.279 -2.282 70 HB2 LEU 11 2HB LEU 11 7.865 -4.260 -2.953 71 HB3 LEU 11 1HB LEU 11 9.352 -4.775 -3.721 72 HG LEU 11 HG LEU 11 8.652 -5.266 -0.823 73 HD11 LEU 11 1HD1 LEU 11 7.187 -6.515 -2.318 74 HD12 LEU 11 2HD1 LEU 11 8.318 -7.582 -1.485 75 HD13 LEU 11 3HD1 LEU 11 8.595 -7.154 -3.169 76 HD21 LEU 11 1HD2 LEU 11 11.055 -5.149 -1.207 77 HD22 LEU 11 2HD2 LEU 11 10.911 -6.302 -2.533 78 HD23 LEU 11 3HD2 LEU 11 10.558 -6.810 -0.881 79 H GLY 12 HN GLY 12 8.406 -0.888 -2.165 80 HA2 GLY 12 2HA GLY 12 8.178 0.961 -3.586 81 HA3 GLY 12 1HA GLY 12 8.944 0.039 -4.879 82 H LYS 13 HN LYS 13 7.040 -2.116 -3.875 83 HA LYS 13 HA LYS 13 4.586 -1.316 -5.246 84 HB2 LYS 13 2HB LYS 13 5.979 -2.614 -6.794 85 HB3 LYS 13 1HB LYS 13 6.246 -3.835 -5.571 86 HG2 LYS 13 2HG LYS 13 4.684 -4.651 -7.213 87 HG3 LYS 13 1HG LYS 13 3.855 -4.426 -5.676 88 HD2 LYS 13 2HD LYS 13 2.879 -2.356 -6.476 89 HD3 LYS 13 1HD LYS 13 3.791 -2.484 -7.983 90 HE2 LYS 13 2HE LYS 13 1.519 -3.230 -8.358 91 HE3 LYS 13 1HE LYS 13 2.621 -4.589 -8.491 92 HZ1 LYS 13 1HZ LYS 13 0.912 -3.996 -6.112 93 HZ2 LYS 13 2HZ LYS 13 1.986 -5.273 -6.225 94 HZ3 LYS 13 3HZ LYS 13 0.664 -5.210 -7.236 95 H CYS 14 HN CYS 14 2.768 -2.279 -4.265 96 HA CYS 14 HA CYS 14 3.241 -3.428 -1.642 97 HB2 CYS 14 2HB CYS 14 1.524 -1.596 -2.059 98 HB3 CYS 14 1HB CYS 14 0.603 -2.782 -2.980 99 H TYR 15 HN TYR 15 2.675 -5.558 -1.179 100 HA TYR 15 HA TYR 15 2.377 -7.187 -3.566 101 HB2 TYR 15 2HB TYR 15 3.126 -9.059 -2.223 102 HB3 TYR 15 1HB TYR 15 4.227 -7.709 -2.020 103 HD1 TYR 15 1HD TYR 15 1.867 -9.928 -0.407 104 HD2 TYR 15 2HD TYR 15 4.264 -6.461 0.161 105 HE1 TYR 15 1HE TYR 15 1.635 -10.180 1.993 106 HE2 TYR 15 2HE TYR 15 4.030 -6.702 2.597 107 HH TYR 15 HH TYR 15 2.534 -7.767 4.231 108 H THR 16 HN THR 16 0.428 -5.917 -1.177 109 HA THR 16 HA THR 16 -1.355 -8.131 -0.977 110 HB THR 16 HB THR 16 -1.777 -5.260 -0.107 111 HG1 THR 16 1HG THR 16 -0.633 -7.472 1.292 112 HG21 THR 16 1HG2 THR 16 -2.935 -7.887 0.877 113 HG22 THR 16 2HG2 THR 16 -3.789 -6.694 -0.098 114 HG23 THR 16 3HG2 THR 16 -3.284 -6.292 1.543 115 HA PRO 17 HA PRO 17 -3.441 -7.022 -4.846 116 HB2 PRO 17 2HB PRO 17 -5.457 -8.915 -3.798 117 HB3 PRO 17 1HB PRO 17 -4.597 -8.947 -5.338 118 HG2 PRO 17 2HG PRO 17 -4.011 -10.678 -3.403 119 HG3 PRO 17 1HG PRO 17 -2.739 -9.985 -4.429 120 HD2 PRO 17 2HD PRO 17 -3.514 -9.282 -1.628 121 HD3 PRO 17 1HD PRO 17 -1.902 -9.417 -2.375 122 H GLY 18 HN GLY 18 -4.887 -5.435 -5.177 123 HA2 GLY 18 2HA GLY 18 -6.943 -4.328 -4.879 124 HA3 GLY 18 1HA GLY 18 -7.084 -5.075 -3.293 125 H CYS 19 HN CYS 19 -4.112 -4.254 -3.024 126 HA CYS 19 HA CYS 19 -4.797 -1.691 -1.890 127 HB2 CYS 19 2HB CYS 19 -2.372 -3.434 -1.501 128 HB3 CYS 19 1HB CYS 19 -2.633 -1.877 -0.718 129 H SER 20 HN SER 20 -4.248 0.096 -2.694 130 HA SER 20 HA SER 20 -2.741 0.268 -5.126 131 HB2 SER 20 2HB SER 20 -3.980 2.406 -3.388 132 HB3 SER 20 1HB SER 20 -3.441 2.585 -5.060 133 HG SER 20 HG SER 20 -4.999 0.578 -5.175 134 H CYS 21 HN CYS 21 -0.661 0.801 -5.186 135 HA CYS 21 HA CYS 21 0.657 1.079 -2.651 136 HB2 CYS 21 2HB CYS 21 1.483 -0.592 -4.183 137 HB3 CYS 21 1HB CYS 21 1.765 0.641 -5.408 138 H ARG 22 HN ARG 22 0.659 3.073 -1.926 139 HA ARG 22 HA ARG 22 1.810 5.100 -3.689 140 HB2 ARG 22 2HB ARG 22 0.105 5.492 -1.195 141 HB3 ARG 22 1HB ARG 22 0.847 6.780 -2.121 142 HG2 ARG 22 2HG ARG 22 -1.277 4.909 -3.171 143 HG3 ARG 22 1HG ARG 22 -1.560 6.544 -2.567 144 HD2 ARG 22 2HD ARG 22 -0.084 7.430 -4.292 145 HD3 ARG 22 1HD ARG 22 0.187 5.800 -4.910 146 HE ARG 22 HE ARG 22 -2.510 6.108 -4.986 147 HH11 ARG 22 1HH1 ARG 22 0.221 7.936 -6.320 148 HH12 ARG 22 2HH1 ARG 22 -0.639 8.511 -7.663 149 HH21 ARG 22 1HH2 ARG 22 -3.699 6.907 -6.843 150 HH22 ARG 22 2HH2 ARG 22 -2.923 7.942 -7.954 151 H ARG 23 HN ARG 23 3.746 4.060 -3.277 152 HA ARG 23 HA ARG 23 4.694 3.226 -0.858 153 HB2 ARG 23 2HB ARG 23 6.979 3.298 -1.784 154 HB3 ARG 23 1HB ARG 23 5.824 2.553 -2.869 155 HG2 ARG 23 2HG ARG 23 5.792 4.533 -4.246 156 HG3 ARG 23 1HG ARG 23 6.848 5.374 -3.106 157 HD2 ARG 23 2HD ARG 23 8.597 3.723 -3.495 158 HD3 ARG 23 1HD ARG 23 7.548 2.860 -4.618 159 HE ARG 23 HE ARG 23 7.690 5.413 -5.573 160 HH11 ARG 23 1HH1 ARG 23 10.095 2.923 -4.852 161 HH12 ARG 23 2HH1 ARG 23 11.136 3.360 -6.119 162 HH21 ARG 23 1HH2 ARG 23 9.102 6.042 -7.266 163 HH22 ARG 23 2HH2 ARG 23 10.561 5.197 -7.531 164 HA PRO 24 HA PRO 24 6.432 2.863 0.344 165 HB2 PRO 24 2HB PRO 24 6.716 3.461 3.113 166 HB3 PRO 24 1HB PRO 24 7.984 3.206 1.916 167 HG2 PRO 24 2HG PRO 24 7.523 5.611 3.173 168 HG3 PRO 24 1HG PRO 24 8.306 5.450 1.596 169 HD2 PRO 24 2HD PRO 24 5.444 6.100 2.224 170 HD3 PRO 24 1HD PRO 24 6.532 6.845 1.028 171 H VAL 25 HN VAL 25 3.425 4.155 0.830 172 HA VAL 25 HA VAL 25 2.746 2.143 2.884 173 HB VAL 25 HB VAL 25 1.313 4.774 2.398 174 HG11 VAL 25 1HG1 VAL 25 0.104 4.291 4.485 175 HG12 VAL 25 2HG1 VAL 25 0.884 2.710 4.555 176 HG13 VAL 25 3HG1 VAL 25 -0.216 3.090 3.233 177 HG21 VAL 25 1HG2 VAL 25 3.145 3.979 4.663 178 HG22 VAL 25 2HG2 VAL 25 2.227 5.482 4.566 179 HG23 VAL 25 3HG2 VAL 25 3.503 5.151 3.393 180 H CYS 26 HN CYS 26 0.935 0.802 2.609 181 HA CYS 26 HA CYS 26 -0.177 0.694 -0.077 182 HB2 CYS 26 2HB CYS 26 -0.465 -1.165 2.289 183 HB3 CYS 26 1HB CYS 26 -1.177 -1.445 0.708 184 H TYR 27 HN TYR 27 -2.054 1.635 -0.523 185 HA TYR 27 HA TYR 27 -3.910 2.232 1.673 186 HB2 TYR 27 2HB TYR 27 -3.453 3.629 -0.967 187 HB3 TYR 27 1HB TYR 27 -4.819 3.969 0.084 188 HD1 TYR 27 1HD TYR 27 -4.571 5.355 1.993 189 HD2 TYR 27 2HD TYR 27 -1.139 4.181 -0.206 190 HE1 TYR 27 1HE TYR 27 -3.245 6.994 3.214 191 HE2 TYR 27 2HE TYR 27 0.207 5.832 1.016 192 HH TYR 27 HH TYR 27 -0.810 7.277 3.822 193 H LYS 28 HN LYS 28 -6.195 2.117 1.104 194 HA LYS 28 HA LYS 28 -6.823 0.522 -1.227 195 HB2 LYS 28 2HB LYS 28 -6.559 -1.041 0.719 196 HB3 LYS 28 1HB LYS 28 -7.778 -0.085 1.560 197 HG2 LYS 28 2HG LYS 28 -9.418 -0.661 -0.131 198 HG3 LYS 28 1HG LYS 28 -8.207 -1.630 -0.971 199 HD2 LYS 28 2HD LYS 28 -8.008 -3.091 0.960 200 HD3 LYS 28 1HD LYS 28 -9.171 -2.099 1.846 201 HE2 LYS 28 2HE LYS 28 -9.723 -3.596 -0.711 202 HE3 LYS 28 1HE LYS 28 -10.219 -4.099 0.903 203 HZ1 LYS 28 1HZ LYS 28 -11.606 -2.152 1.075 204 HZ2 LYS 28 2HZ LYS 28 -11.994 -2.965 -0.350 205 HZ3 LYS 28 3HZ LYS 28 -11.082 -1.571 -0.411 206 H ASN 29 HN ASN 29 -8.415 1.515 -2.207 207 HA ASN 29 HA ASN 29 -10.124 2.889 -2.719 208 HB2 ASN 29 2HB ASN 29 -10.960 2.350 0.152 209 HB3 ASN 29 1HB ASN 29 -11.956 3.223 -1.007 210 HD21 ASN 29 1HD2 ASN 29 -12.903 2.080 -2.714 211 HD22 ASN 29 2HD2 ASN 29 -13.006 0.362 -2.712 Start of MODEL 11 1 H1 GLY 1 HN GLY 1 -8.313 4.099 0.300 2 HA2 GLY 1 2HA GLY 1 -6.920 6.506 -0.475 3 HA3 GLY 1 1HA GLY 1 -8.435 6.800 0.372 4 H LEU 2 HN LEU 2 -8.198 4.462 2.063 5 HA LEU 2 HA LEU 2 -6.230 5.552 3.909 6 HB2 LEU 2 2HB LEU 2 -8.501 3.607 4.325 7 HB3 LEU 2 1HB LEU 2 -7.438 4.181 5.590 8 HG LEU 2 HG LEU 2 -9.344 5.903 3.999 9 HD11 LEU 2 1HD1 LEU 2 -10.514 4.383 5.477 10 HD12 LEU 2 2HD1 LEU 2 -10.607 6.037 6.081 11 HD13 LEU 2 3HD1 LEU 2 -9.494 4.887 6.824 12 HD21 LEU 2 1HD2 LEU 2 -7.594 6.556 6.373 13 HD22 LEU 2 2HD2 LEU 2 -8.811 7.621 5.676 14 HD23 LEU 2 3HD2 LEU 2 -7.395 7.169 4.729 15 HA PRO 3 HA PRO 3 -3.556 2.048 3.297 16 HB2 PRO 3 2HB PRO 3 -2.239 1.967 5.636 17 HB3 PRO 3 1HB PRO 3 -2.028 3.309 4.508 18 HG2 PRO 3 2HG PRO 3 -3.732 3.162 6.960 19 HG3 PRO 3 1HG PRO 3 -2.645 4.459 6.428 20 HD2 PRO 3 2HD PRO 3 -5.330 4.540 6.053 21 HD3 PRO 3 1HD PRO 3 -4.173 5.303 4.944 22 H ILE 4 HN ILE 4 -6.046 1.185 3.722 23 HA ILE 4 HA ILE 4 -6.677 -0.397 5.948 24 HB ILE 4 HB ILE 4 -7.541 -0.768 3.070 25 HG12 ILE 4 2HG1 ILE 4 -8.025 1.502 3.836 26 HG13 ILE 4 1HG1 ILE 4 -9.513 0.589 3.628 27 HG21 ILE 4 1HG2 ILE 4 -8.889 -1.738 5.571 28 HG22 ILE 4 2HG2 ILE 4 -8.074 -2.717 4.343 29 HG23 ILE 4 3HG2 ILE 4 -9.542 -1.830 3.929 30 HD11 ILE 4 1HD1 ILE 4 -9.617 1.955 5.621 31 HD12 ILE 4 2HD1 ILE 4 -8.145 1.214 6.239 32 HD13 ILE 4 3HD1 ILE 4 -9.611 0.247 6.065 33 H CYS 5 HN CYS 5 -4.627 -1.003 3.239 34 HA CYS 5 HA CYS 5 -4.539 -3.806 3.281 35 HB2 CYS 5 2HB CYS 5 -2.298 -1.946 2.498 36 HB3 CYS 5 1HB CYS 5 -2.639 -3.557 1.863 37 H GLY 6 HN GLY 6 -2.875 -1.316 5.162 38 HA2 GLY 6 2HA GLY 6 -1.736 -1.460 7.134 39 HA3 GLY 6 1HA GLY 6 -2.270 -3.129 7.249 40 H GLU 7 HN GLU 7 -0.456 -1.866 4.588 41 HA GLU 7 HA GLU 7 1.997 -2.964 5.589 42 HB2 GLU 7 2HB GLU 7 2.378 -4.109 3.358 43 HB3 GLU 7 1HB GLU 7 1.181 -4.867 4.391 44 HG2 GLU 7 2HG GLU 7 -0.578 -3.665 3.062 45 HG3 GLU 7 1HG GLU 7 0.703 -3.182 1.950 46 H THR 8 HN THR 8 3.830 -2.138 4.335 47 HA THR 8 HA THR 8 3.082 0.395 3.099 48 HB THR 8 HB THR 8 5.466 1.081 3.812 49 HG1 THR 8 1HG THR 8 4.980 -1.047 5.636 50 HG21 THR 8 1HG2 THR 8 4.660 1.802 6.016 51 HG22 THR 8 2HG2 THR 8 3.289 0.698 5.858 52 HG23 THR 8 3HG2 THR 8 3.457 2.064 4.753 53 H CYS 9 HN CYS 9 4.505 1.212 1.505 54 HA CYS 9 HA CYS 9 5.447 -0.911 -0.210 55 HB2 CYS 9 2HB CYS 9 4.889 1.999 -0.688 56 HB3 CYS 9 1HB CYS 9 5.688 0.993 -1.887 57 H LEU 10 HN LEU 10 7.112 -1.217 1.326 58 HA LEU 10 HA LEU 10 9.154 0.764 1.680 59 HB2 LEU 10 2HB LEU 10 8.439 -1.081 3.294 60 HB3 LEU 10 1HB LEU 10 9.311 -2.183 2.252 61 HG LEU 10 HG LEU 10 11.378 -0.886 2.687 62 HD11 LEU 10 1HD1 LEU 10 11.349 0.676 4.607 63 HD12 LEU 10 2HD1 LEU 10 9.583 0.553 4.637 64 HD13 LEU 10 3HD1 LEU 10 10.391 1.249 3.243 65 HD21 LEU 10 1HD2 LEU 10 10.828 -2.909 3.939 66 HD22 LEU 10 2HD2 LEU 10 9.941 -1.936 5.111 67 HD23 LEU 10 3HD2 LEU 10 11.687 -1.743 4.944 68 H LEU 11 HN LEU 11 8.687 -2.212 -0.108 69 HA LEU 11 HA LEU 11 11.151 -1.856 -1.588 70 HB2 LEU 11 2HB LEU 11 8.936 -3.885 -1.919 71 HB3 LEU 11 1HB LEU 11 10.481 -3.912 -2.737 72 HG LEU 11 HG LEU 11 10.046 -4.264 0.221 73 HD11 LEU 11 1HD1 LEU 11 9.318 -6.179 -1.074 74 HD12 LEU 11 2HD1 LEU 11 10.794 -6.547 -0.181 75 HD13 LEU 11 3HD1 LEU 11 10.870 -6.218 -1.912 76 HD21 LEU 11 1HD2 LEU 11 12.580 -4.352 -1.414 77 HD22 LEU 11 2HD2 LEU 11 12.438 -4.822 0.279 78 HD23 LEU 11 3HD2 LEU 11 12.159 -3.147 -0.193 79 H GLY 12 HN GLY 12 7.771 -1.391 -1.841 80 HA2 GLY 12 2HA GLY 12 7.009 0.466 -3.284 81 HA3 GLY 12 1HA GLY 12 8.195 -0.082 -4.456 82 H LYS 13 HN LYS 13 6.318 -2.397 -2.700 83 HA LYS 13 HA LYS 13 4.511 -2.783 -4.944 84 HB2 LYS 13 2HB LYS 13 6.478 -4.187 -5.334 85 HB3 LYS 13 1HB LYS 13 6.328 -4.865 -3.726 86 HG2 LYS 13 2HG LYS 13 4.233 -5.919 -4.350 87 HG3 LYS 13 1HG LYS 13 4.337 -5.190 -5.957 88 HD2 LYS 13 2HD LYS 13 6.440 -6.360 -6.347 89 HD3 LYS 13 1HD LYS 13 6.327 -7.098 -4.752 90 HE2 LYS 13 2HE LYS 13 4.335 -8.267 -5.380 91 HE3 LYS 13 1HE LYS 13 4.281 -7.432 -6.930 92 HZ1 LYS 13 1HZ LYS 13 5.208 -9.628 -7.187 93 HZ2 LYS 13 2HZ LYS 13 6.379 -9.308 -6.019 94 HZ3 LYS 13 3HZ LYS 13 6.419 -8.483 -7.475 95 H CYS 14 HN CYS 14 2.556 -3.777 -4.292 96 HA CYS 14 HA CYS 14 2.192 -4.101 -1.405 97 HB2 CYS 14 2HB CYS 14 0.179 -3.597 -3.610 98 HB3 CYS 14 1HB CYS 14 -0.262 -3.979 -1.951 99 H TYR 15 HN TYR 15 1.236 -5.954 -0.642 100 HA TYR 15 HA TYR 15 1.483 -8.229 -2.461 101 HB2 TYR 15 2HB TYR 15 1.487 -8.110 0.563 102 HB3 TYR 15 1HB TYR 15 1.654 -9.581 -0.394 103 HD1 TYR 15 1HD TYR 15 3.325 -6.531 0.754 104 HD2 TYR 15 2HD TYR 15 3.701 -10.024 -1.646 105 HE1 TYR 15 1HE TYR 15 5.739 -6.159 0.604 106 HE2 TYR 15 2HE TYR 15 6.113 -9.666 -1.796 107 HH TYR 15 HH TYR 15 7.784 -7.513 0.173 108 H THR 16 HN THR 16 -0.642 -6.550 -0.290 109 HA THR 16 HA THR 16 -2.745 -8.451 -0.479 110 HB THR 16 HB THR 16 -2.802 -5.539 0.392 111 HG1 THR 16 1HG THR 16 -1.604 -6.704 1.870 112 HG21 THR 16 1HG2 THR 16 -4.893 -7.703 0.801 113 HG22 THR 16 2HG2 THR 16 -5.059 -6.311 -0.266 114 HG23 THR 16 3HG2 THR 16 -4.952 -6.076 1.479 115 HA PRO 17 HA PRO 17 -4.171 -7.339 -4.586 116 HB2 PRO 17 2HB PRO 17 -6.566 -8.640 -4.464 117 HB3 PRO 17 1HB PRO 17 -5.031 -9.470 -4.736 118 HG2 PRO 17 2HG PRO 17 -6.571 -9.140 -2.191 119 HG3 PRO 17 1HG PRO 17 -5.793 -10.595 -2.840 120 HD2 PRO 17 2HD PRO 17 -4.651 -9.128 -0.925 121 HD3 PRO 17 1HD PRO 17 -3.680 -9.899 -2.198 122 H GLY 18 HN GLY 18 -5.410 -5.718 -5.401 123 HA2 GLY 18 2HA GLY 18 -7.178 -4.224 -5.550 124 HA3 GLY 18 1HA GLY 18 -7.728 -4.755 -3.967 125 H CYS 19 HN CYS 19 -4.513 -4.114 -3.782 126 HA CYS 19 HA CYS 19 -5.063 -1.545 -2.551 127 HB2 CYS 19 2HB CYS 19 -2.753 -3.451 -2.307 128 HB3 CYS 19 1HB CYS 19 -2.791 -1.859 -1.555 129 H SER 20 HN SER 20 -3.800 0.263 -2.949 130 HA SER 20 HA SER 20 -2.454 0.231 -5.524 131 HB2 SER 20 2HB SER 20 -4.588 1.596 -5.295 132 HB3 SER 20 1HB SER 20 -3.749 2.573 -4.092 133 HG SER 20 HG SER 20 -3.017 2.179 -6.788 134 H CYS 21 HN CYS 21 -0.354 0.487 -5.368 135 HA CYS 21 HA CYS 21 0.843 1.045 -2.821 136 HB2 CYS 21 2HB CYS 21 1.727 -0.753 -4.227 137 HB3 CYS 21 1HB CYS 21 2.082 0.408 -5.500 138 H ARG 22 HN ARG 22 1.211 3.032 -2.190 139 HA ARG 22 HA ARG 22 2.038 5.031 -4.171 140 HB2 ARG 22 2HB ARG 22 0.454 5.602 -1.658 141 HB3 ARG 22 1HB ARG 22 0.841 6.715 -2.952 142 HG2 ARG 22 2HG ARG 22 -1.000 4.352 -3.229 143 HG3 ARG 22 1HG ARG 22 -1.522 6.009 -2.936 144 HD2 ARG 22 2HD ARG 22 -0.540 6.699 -5.056 145 HD3 ARG 22 1HD ARG 22 0.047 5.057 -5.325 146 HE ARG 22 HE ARG 22 -2.144 4.312 -5.634 147 HH11 ARG 22 1HH1 ARG 22 -2.046 7.816 -5.147 148 HH12 ARG 22 2HH1 ARG 22 -3.530 8.114 -5.915 149 HH21 ARG 22 1HH2 ARG 22 -4.172 4.676 -6.600 150 HH22 ARG 22 2HH2 ARG 22 -4.807 6.249 -6.786 151 H ARG 23 HN ARG 23 4.146 4.332 -3.585 152 HA ARG 23 HA ARG 23 4.987 3.904 -0.986 153 HB2 ARG 23 2HB ARG 23 7.366 4.274 -1.829 154 HB3 ARG 23 1HB ARG 23 6.431 3.000 -2.583 155 HG2 ARG 23 2HG ARG 23 6.003 4.438 -4.483 156 HG3 ARG 23 1HG ARG 23 6.929 5.738 -3.727 157 HD2 ARG 23 2HD ARG 23 8.935 4.395 -3.795 158 HD3 ARG 23 1HD ARG 23 8.025 2.998 -4.362 159 HE ARG 23 HE ARG 23 7.833 5.297 -6.061 160 HH11 ARG 23 1HH1 ARG 23 9.813 2.448 -5.337 161 HH12 ARG 23 2HH1 ARG 23 10.401 2.292 -6.920 162 HH21 ARG 23 1HH2 ARG 23 8.685 5.084 -8.221 163 HH22 ARG 23 2HH2 ARG 23 9.763 3.818 -8.600 164 HA PRO 24 HA PRO 24 6.634 3.925 0.359 165 HB2 PRO 24 2HB PRO 24 6.883 4.422 2.936 166 HB3 PRO 24 1HB PRO 24 7.974 5.147 1.748 167 HG2 PRO 24 2HG PRO 24 5.644 6.368 3.166 168 HG3 PRO 24 1HG PRO 24 7.222 7.077 2.787 169 HD2 PRO 24 2HD PRO 24 4.883 7.448 1.311 170 HD3 PRO 24 1HD PRO 24 6.529 7.760 0.728 171 H VAL 25 HN VAL 25 3.403 4.819 0.588 172 HA VAL 25 HA VAL 25 2.916 2.727 2.615 173 HB VAL 25 HB VAL 25 1.130 5.139 2.121 174 HG11 VAL 25 1HG1 VAL 25 -0.105 3.238 2.972 175 HG12 VAL 25 2HG1 VAL 25 0.015 4.489 4.211 176 HG13 VAL 25 3HG1 VAL 25 1.044 3.057 4.296 177 HG21 VAL 25 1HG2 VAL 25 1.920 6.001 4.282 178 HG22 VAL 25 2HG2 VAL 25 3.238 5.862 3.115 179 HG23 VAL 25 3HG2 VAL 25 3.061 4.661 4.393 180 H CYS 26 HN CYS 26 0.973 1.346 2.298 181 HA CYS 26 HA CYS 26 0.198 1.277 -0.508 182 HB2 CYS 26 2HB CYS 26 1.369 -0.726 0.393 183 HB3 CYS 26 1HB CYS 26 0.111 -0.888 1.609 184 H TYR 27 HN TYR 27 -1.782 2.053 -0.881 185 HA TYR 27 HA TYR 27 -3.640 2.248 1.386 186 HB2 TYR 27 2HB TYR 27 -3.467 3.994 -1.077 187 HB3 TYR 27 1HB TYR 27 -4.667 4.136 0.189 188 HD1 TYR 27 1HD TYR 27 -1.313 4.969 -0.843 189 HD2 TYR 27 2HD TYR 27 -3.960 4.900 2.467 190 HE1 TYR 27 1HE TYR 27 0.140 6.561 0.340 191 HE2 TYR 27 2HE TYR 27 -2.525 6.479 3.663 192 HH TYR 27 HH TYR 27 -0.193 7.183 3.656 193 H LYS 28 HN LYS 28 -5.776 1.749 1.078 194 HA LYS 28 HA LYS 28 -6.458 0.481 -1.464 195 HB2 LYS 28 2HB LYS 28 -6.328 -1.101 0.466 196 HB3 LYS 28 1HB LYS 28 -7.489 -0.079 1.310 197 HG2 LYS 28 2HG LYS 28 -9.185 -0.619 -0.333 198 HG3 LYS 28 1HG LYS 28 -8.019 -1.593 -1.233 199 HD2 LYS 28 2HD LYS 28 -7.754 -3.084 0.668 200 HD3 LYS 28 1HD LYS 28 -8.860 -2.096 1.620 201 HE2 LYS 28 2HE LYS 28 -10.671 -2.621 0.070 202 HE3 LYS 28 1HE LYS 28 -9.552 -3.559 -0.913 203 HZ1 LYS 28 1HZ LYS 28 -9.243 -5.081 0.918 204 HZ2 LYS 28 2HZ LYS 28 -10.876 -4.952 0.557 205 HZ3 LYS 28 3HZ LYS 28 -10.253 -4.163 1.905 206 H ASN 29 HN ASN 29 -7.643 1.909 -2.477 207 HA ASN 29 HA ASN 29 -9.159 3.463 -3.033 208 HB2 ASN 29 2HB ASN 29 -10.306 2.908 -0.300 209 HB3 ASN 29 1HB ASN 29 -10.923 4.222 -1.293 210 HD21 ASN 29 1HD2 ASN 29 -10.807 0.813 -0.795 211 HD22 ASN 29 2HD2 ASN 29 -11.939 0.415 -2.030 Start of MODEL 12 1 H1 GLY 1 HN GLY 1 -7.006 4.465 -1.937 2 HA2 GLY 1 2HA GLY 1 -6.802 6.649 -1.160 3 HA3 GLY 1 1HA GLY 1 -8.488 6.605 -0.688 4 H LEU 2 HN LEU 2 -8.245 4.267 0.996 5 HA LEU 2 HA LEU 2 -6.971 5.612 3.268 6 HB2 LEU 2 2HB LEU 2 -9.063 3.438 3.201 7 HB3 LEU 2 1HB LEU 2 -8.284 3.965 4.671 8 HG LEU 2 HG LEU 2 -9.264 6.268 4.205 9 HD11 LEU 2 1HD1 LEU 2 -10.938 4.724 2.241 10 HD12 LEU 2 2HD1 LEU 2 -9.785 6.000 1.852 11 HD13 LEU 2 3HD1 LEU 2 -11.236 6.375 2.786 12 HD21 LEU 2 1HD2 LEU 2 -10.136 4.795 5.904 13 HD22 LEU 2 2HD2 LEU 2 -11.123 3.957 4.704 14 HD23 LEU 2 3HD2 LEU 2 -11.454 5.644 5.096 15 HA PRO 3 HA PRO 3 -3.757 2.528 3.421 16 HB2 PRO 3 2HB PRO 3 -2.855 2.926 5.920 17 HB3 PRO 3 1HB PRO 3 -2.647 4.150 4.663 18 HG2 PRO 3 2HG PRO 3 -4.706 3.999 6.831 19 HG3 PRO 3 1HG PRO 3 -3.738 5.389 6.306 20 HD2 PRO 3 2HD PRO 3 -6.307 4.998 5.513 21 HD3 PRO 3 1HD PRO 3 -5.096 5.817 4.505 22 H ILE 4 HN ILE 4 -6.171 1.340 3.639 23 HA ILE 4 HA ILE 4 -6.942 0.049 5.996 24 HB ILE 4 HB ILE 4 -7.287 -0.891 3.148 25 HG12 ILE 4 2HG1 ILE 4 -8.165 1.354 3.420 26 HG13 ILE 4 1HG1 ILE 4 -9.483 0.204 3.240 27 HG21 ILE 4 1HG2 ILE 4 -8.875 -1.655 5.587 28 HG22 ILE 4 2HG2 ILE 4 -7.763 -2.687 4.694 29 HG23 ILE 4 3HG2 ILE 4 -9.248 -2.125 3.928 30 HD11 ILE 4 1HD1 ILE 4 -8.558 1.459 5.822 31 HD12 ILE 4 2HD1 ILE 4 -9.860 0.282 5.663 32 HD13 ILE 4 3HD1 ILE 4 -10.014 1.870 4.914 33 H CYS 5 HN CYS 5 -4.821 -1.105 3.387 34 HA CYS 5 HA CYS 5 -4.413 -3.659 4.470 35 HB2 CYS 5 2HB CYS 5 -2.592 -2.084 2.637 36 HB3 CYS 5 1HB CYS 5 -2.579 -3.831 2.876 37 H GLY 6 HN GLY 6 -2.623 -0.627 4.829 38 HA2 GLY 6 2HA GLY 6 -1.297 0.100 6.550 39 HA3 GLY 6 1HA GLY 6 -1.773 -1.334 7.442 40 H GLU 7 HN GLU 7 -0.428 -1.954 4.400 41 HA GLU 7 HA GLU 7 1.980 -2.880 5.718 42 HB2 GLU 7 2HB GLU 7 2.345 -4.263 3.707 43 HB3 GLU 7 1HB GLU 7 0.782 -4.588 4.431 44 HG2 GLU 7 2HG GLU 7 -0.285 -3.205 2.703 45 HG3 GLU 7 1HG GLU 7 1.301 -2.914 1.985 46 H THR 8 HN THR 8 4.006 -2.299 4.929 47 HA THR 8 HA THR 8 3.927 0.235 3.583 48 HB THR 8 HB THR 8 6.417 0.171 4.268 49 HG1 THR 8 1HG THR 8 7.006 -1.367 5.623 50 HG21 THR 8 1HG2 THR 8 4.789 1.662 5.243 51 HG22 THR 8 2HG2 THR 8 5.829 1.013 6.520 52 HG23 THR 8 3HG2 THR 8 4.191 0.375 6.290 53 H CYS 9 HN CYS 9 4.725 0.552 1.653 54 HA CYS 9 HA CYS 9 5.776 -1.811 0.321 55 HB2 CYS 9 2HB CYS 9 4.827 -0.926 -1.791 56 HB3 CYS 9 1HB CYS 9 3.605 -1.262 -0.574 57 H LEU 10 HN LEU 10 7.828 -1.164 1.117 58 HA LEU 10 HA LEU 10 9.052 1.252 0.164 59 HB2 LEU 10 2HB LEU 10 10.342 -1.223 1.342 60 HB3 LEU 10 1HB LEU 10 11.193 0.256 0.975 61 HG LEU 10 HG LEU 10 10.889 0.232 3.289 62 HD11 LEU 10 1HD1 LEU 10 9.507 2.153 3.780 63 HD12 LEU 10 2HD1 LEU 10 8.766 2.029 2.188 64 HD13 LEU 10 3HD1 LEU 10 10.487 2.388 2.333 65 HD21 LEU 10 1HD2 LEU 10 8.711 -0.041 4.401 66 HD22 LEU 10 2HD2 LEU 10 9.211 -1.485 3.519 67 HD23 LEU 10 3HD2 LEU 10 7.982 -0.415 2.840 68 H LEU 11 HN LEU 11 8.799 -2.019 -0.886 69 HA LEU 11 HA LEU 11 10.739 -1.671 -3.002 70 HB2 LEU 11 2HB LEU 11 8.942 -3.990 -2.303 71 HB3 LEU 11 1HB LEU 11 10.036 -3.997 -3.664 72 HG LEU 11 HG LEU 11 11.922 -3.674 -1.993 73 HD11 LEU 11 1HD1 LEU 11 10.628 -2.906 -0.084 74 HD12 LEU 11 2HD1 LEU 11 11.547 -4.363 0.297 75 HD13 LEU 11 3HD1 LEU 11 9.814 -4.471 -0.001 76 HD21 LEU 11 1HD2 LEU 11 10.287 -6.189 -1.852 77 HD22 LEU 11 2HD2 LEU 11 11.991 -6.028 -1.411 78 HD23 LEU 11 3HD2 LEU 11 11.483 -5.771 -3.080 79 H GLY 12 HN GLY 12 7.866 -0.410 -2.707 80 HA2 GLY 12 2HA GLY 12 6.311 0.439 -4.170 81 HA3 GLY 12 1HA GLY 12 7.410 -0.017 -5.465 82 H LYS 13 HN LYS 13 6.081 -2.280 -3.173 83 HA LYS 13 HA LYS 13 4.257 -3.330 -5.179 84 HB2 LYS 13 2HB LYS 13 6.377 -4.527 -5.455 85 HB3 LYS 13 1HB LYS 13 6.395 -4.914 -3.743 86 HG2 LYS 13 2HG LYS 13 4.341 -6.239 -4.055 87 HG3 LYS 13 1HG LYS 13 4.408 -5.883 -5.781 88 HD2 LYS 13 2HD LYS 13 6.579 -6.974 -5.931 89 HD3 LYS 13 1HD LYS 13 6.535 -7.319 -4.201 90 HE2 LYS 13 2HE LYS 13 4.520 -8.671 -4.530 91 HE3 LYS 13 1HE LYS 13 4.578 -8.310 -6.255 92 HZ1 LYS 13 1HZ LYS 13 5.508 -10.472 -5.749 93 HZ2 LYS 13 2HZ LYS 13 6.642 -9.777 -4.733 94 HZ3 LYS 13 3HZ LYS 13 6.698 -9.457 -6.386 95 H CYS 14 HN CYS 14 2.458 -4.175 -4.256 96 HA CYS 14 HA CYS 14 2.328 -4.245 -1.330 97 HB2 CYS 14 2HB CYS 14 0.167 -3.868 -3.403 98 HB3 CYS 14 1HB CYS 14 -0.129 -4.058 -1.679 99 H TYR 15 HN TYR 15 1.360 -6.047 -0.365 100 HA TYR 15 HA TYR 15 1.403 -8.399 -2.063 101 HB2 TYR 15 2HB TYR 15 1.412 -8.091 0.935 102 HB3 TYR 15 1HB TYR 15 1.379 -9.642 0.107 103 HD1 TYR 15 1HD TYR 15 3.361 -10.644 -0.641 104 HD2 TYR 15 2HD TYR 15 3.441 -6.551 0.506 105 HE1 TYR 15 1HE TYR 15 5.798 -10.641 -0.814 106 HE2 TYR 15 2HE TYR 15 5.888 -6.543 0.334 107 HH TYR 15 HH TYR 15 7.584 -8.994 -1.212 108 H THR 16 HN THR 16 -0.816 -6.306 -0.566 109 HA THR 16 HA THR 16 -2.961 -8.253 -0.795 110 HB THR 16 HB THR 16 -3.157 -5.302 -0.076 111 HG1 THR 16 1HG THR 16 -1.969 -6.158 1.500 112 HG21 THR 16 1HG2 THR 16 -5.056 -7.613 0.405 113 HG22 THR 16 2HG2 THR 16 -5.268 -6.346 -0.801 114 HG23 THR 16 3HG2 THR 16 -5.312 -5.944 0.915 115 HA PRO 17 HA PRO 17 -3.540 -6.677 -5.007 116 HB2 PRO 17 2HB PRO 17 -5.649 -8.310 -5.632 117 HB3 PRO 17 1HB PRO 17 -3.965 -8.830 -5.735 118 HG2 PRO 17 2HG PRO 17 -5.993 -9.367 -3.619 119 HG3 PRO 17 1HG PRO 17 -4.732 -10.433 -4.259 120 HD2 PRO 17 2HD PRO 17 -4.539 -9.109 -1.880 121 HD3 PRO 17 1HD PRO 17 -3.131 -9.577 -2.852 122 H GLY 18 HN GLY 18 -4.897 -5.108 -5.777 123 HA2 GLY 18 2HA GLY 18 -6.809 -3.777 -5.907 124 HA3 GLY 18 1HA GLY 18 -7.530 -4.730 -4.610 125 H CYS 19 HN CYS 19 -4.387 -3.759 -4.040 126 HA CYS 19 HA CYS 19 -5.164 -1.406 -2.496 127 HB2 CYS 19 2HB CYS 19 -4.797 -3.659 -1.207 128 HB3 CYS 19 1HB CYS 19 -3.112 -3.468 -1.651 129 H SER 20 HN SER 20 -3.655 0.249 -2.936 130 HA SER 20 HA SER 20 -1.637 -0.539 -4.899 131 HB2 SER 20 2HB SER 20 -3.570 0.685 -5.834 132 HB3 SER 20 1HB SER 20 -3.174 2.059 -4.804 133 HG SER 20 HG SER 20 -1.366 0.906 -6.650 134 H CYS 21 HN CYS 21 0.290 0.533 -4.902 135 HA CYS 21 HA CYS 21 1.161 1.279 -2.289 136 HB2 CYS 21 2HB CYS 21 2.498 -0.278 -3.556 137 HB3 CYS 21 1HB CYS 21 2.670 0.886 -4.864 138 H ARG 22 HN ARG 22 1.107 3.243 -1.619 139 HA ARG 22 HA ARG 22 2.004 5.375 -3.392 140 HB2 ARG 22 2HB ARG 22 -0.418 5.650 -2.782 141 HB3 ARG 22 1HB ARG 22 0.018 5.546 -1.089 142 HG2 ARG 22 2HG ARG 22 -0.407 7.831 -1.669 143 HG3 ARG 22 1HG ARG 22 1.307 7.629 -1.325 144 HD2 ARG 22 2HD ARG 22 1.788 7.573 -3.713 145 HD3 ARG 22 1HD ARG 22 0.067 7.698 -4.068 146 HE ARG 22 HE ARG 22 0.382 9.828 -2.590 147 HH11 ARG 22 1HH1 ARG 22 2.434 8.695 -5.246 148 HH12 ARG 22 2HH1 ARG 22 2.894 10.254 -5.739 149 HH21 ARG 22 1HH2 ARG 22 1.018 11.946 -3.266 150 HH22 ARG 22 2HH2 ARG 22 2.097 12.152 -4.579 151 H ARG 23 HN ARG 23 4.007 4.712 -2.786 152 HA ARG 23 HA ARG 23 4.829 3.803 -0.387 153 HB2 ARG 23 2HB ARG 23 7.161 4.269 -1.073 154 HB3 ARG 23 1HB ARG 23 6.200 3.461 -2.298 155 HG2 ARG 23 2HG ARG 23 5.920 5.575 -3.463 156 HG3 ARG 23 1HG ARG 23 6.905 6.380 -2.233 157 HD2 ARG 23 2HD ARG 23 8.768 4.899 -2.795 158 HD3 ARG 23 1HD ARG 23 7.769 4.132 -4.032 159 HE ARG 23 HE ARG 23 8.045 6.973 -4.258 160 HH11 ARG 23 1HH1 ARG 23 9.358 3.824 -5.210 161 HH12 ARG 23 2HH1 ARG 23 10.156 4.422 -6.592 162 HH21 ARG 23 1HH2 ARG 23 9.189 7.788 -6.164 163 HH22 ARG 23 2HH2 ARG 23 10.058 6.691 -7.141 164 HA PRO 24 HA PRO 24 6.379 3.523 0.856 165 HB2 PRO 24 2HB PRO 24 6.870 3.422 3.440 166 HB3 PRO 24 1HB PRO 24 7.888 4.386 2.362 167 HG2 PRO 24 2HG PRO 24 5.780 5.278 4.270 168 HG3 PRO 24 1HG PRO 24 7.305 6.061 3.826 169 HD2 PRO 24 2HD PRO 24 4.740 6.643 2.781 170 HD3 PRO 24 1HD PRO 24 6.291 7.235 2.160 171 H VAL 25 HN VAL 25 3.303 4.507 1.383 172 HA VAL 25 HA VAL 25 2.691 2.202 3.109 173 HB VAL 25 HB VAL 25 1.067 4.760 2.878 174 HG11 VAL 25 1HG1 VAL 25 -0.320 2.834 3.398 175 HG12 VAL 25 2HG1 VAL 25 -0.201 3.907 4.792 176 HG13 VAL 25 3HG1 VAL 25 0.738 2.415 4.746 177 HG21 VAL 25 1HG2 VAL 25 3.161 5.196 4.045 178 HG22 VAL 25 2HG2 VAL 25 2.858 3.837 5.128 179 HG23 VAL 25 3HG2 VAL 25 1.804 5.251 5.174 180 H CYS 26 HN CYS 26 1.104 0.790 2.430 181 HA CYS 26 HA CYS 26 0.160 1.241 -0.275 182 HB2 CYS 26 2HB CYS 26 1.257 -0.927 0.385 183 HB3 CYS 26 1HB CYS 26 -0.119 -1.225 1.438 184 H TYR 27 HN TYR 27 -1.888 1.711 -0.734 185 HA TYR 27 HA TYR 27 -3.775 1.989 1.508 186 HB2 TYR 27 2HB TYR 27 -3.461 3.740 -0.942 187 HB3 TYR 27 1HB TYR 27 -4.737 3.898 0.249 188 HD1 TYR 27 1HD TYR 27 -1.068 4.104 -0.186 189 HD2 TYR 27 2HD TYR 27 -4.406 5.259 2.147 190 HE1 TYR 27 1HE TYR 27 0.345 5.687 1.026 191 HE2 TYR 27 2HE TYR 27 -2.999 6.844 3.388 192 HH TYR 27 HH TYR 27 0.013 7.762 2.290 193 H LYS 28 HN LYS 28 -5.869 1.442 1.117 194 HA LYS 28 HA LYS 28 -6.386 0.102 -1.431 195 HB2 LYS 28 2HB LYS 28 -6.388 -1.467 0.515 196 HB3 LYS 28 1HB LYS 28 -7.616 -0.458 1.272 197 HG2 LYS 28 2HG LYS 28 -9.193 -0.980 -0.471 198 HG3 LYS 28 1HG LYS 28 -7.970 -1.911 -1.335 199 HD2 LYS 28 2HD LYS 28 -7.844 -3.487 0.532 200 HD3 LYS 28 1HD LYS 28 -9.050 -2.543 1.413 201 HE2 LYS 28 2HE LYS 28 -10.698 -2.981 -0.295 202 HE3 LYS 28 1HE LYS 28 -9.501 -3.811 -1.278 203 HZ1 LYS 28 1HZ LYS 28 -9.323 -5.488 0.456 204 HZ2 LYS 28 2HZ LYS 28 -10.905 -5.377 -0.104 205 HZ3 LYS 28 3HZ LYS 28 -10.492 -4.703 1.377 206 H ASN 29 HN ASN 29 -7.239 1.708 -2.490 207 HA ASN 29 HA ASN 29 -8.657 3.252 -3.220 208 HB2 ASN 29 2HB ASN 29 -10.588 1.901 -1.327 209 HB3 ASN 29 1HB ASN 29 -11.058 3.136 -2.488 210 HD21 ASN 29 1HD2 ASN 29 -11.915 0.416 -2.252 211 HD22 ASN 29 2HD2 ASN 29 -11.567 -0.363 -3.750 Start of MODEL 13 1 H1 GLY 1 HN GLY 1 -8.224 4.295 -0.031 2 HA2 GLY 1 2HA GLY 1 -6.197 5.992 -1.113 3 HA3 GLY 1 1HA GLY 1 -7.690 6.885 -0.823 4 H LEU 2 HN LEU 2 -7.071 4.190 1.266 5 HA LEU 2 HA LEU 2 -6.131 5.935 3.398 6 HB2 LEU 2 2HB LEU 2 -8.428 3.954 3.510 7 HB3 LEU 2 1HB LEU 2 -7.642 4.586 4.930 8 HG LEU 2 HG LEU 2 -9.698 5.687 4.710 9 HD11 LEU 2 1HD1 LEU 2 -9.111 8.025 4.481 10 HD12 LEU 2 2HD1 LEU 2 -7.567 7.558 3.769 11 HD13 LEU 2 3HD1 LEU 2 -7.940 7.113 5.434 12 HD21 LEU 2 1HD2 LEU 2 -10.408 6.941 2.708 13 HD22 LEU 2 2HD2 LEU 2 -10.218 5.220 2.381 14 HD23 LEU 2 3HD2 LEU 2 -8.979 6.359 1.855 15 HA PRO 3 HA PRO 3 -3.370 2.449 3.801 16 HB2 PRO 3 2HB PRO 3 -2.421 2.873 6.291 17 HB3 PRO 3 1HB PRO 3 -2.013 3.946 4.946 18 HG2 PRO 3 2HG PRO 3 -4.074 4.299 7.086 19 HG3 PRO 3 1HG PRO 3 -2.896 5.473 6.471 20 HD2 PRO 3 2HD PRO 3 -5.485 5.444 5.666 21 HD3 PRO 3 1HD PRO 3 -4.155 5.947 4.604 22 H ILE 4 HN ILE 4 -5.974 1.686 4.107 23 HA ILE 4 HA ILE 4 -6.869 0.551 6.519 24 HB ILE 4 HB ILE 4 -7.364 -0.531 3.734 25 HG12 ILE 4 2HG1 ILE 4 -7.944 1.859 3.835 26 HG13 ILE 4 1HG1 ILE 4 -9.378 0.861 3.644 27 HG21 ILE 4 1HG2 ILE 4 -8.999 -0.835 6.242 28 HG22 ILE 4 2HG2 ILE 4 -8.058 -2.089 5.439 29 HG23 ILE 4 3HG2 ILE 4 -9.472 -1.402 4.640 30 HD11 ILE 4 1HD1 ILE 4 -9.854 1.125 6.031 31 HD12 ILE 4 2HD1 ILE 4 -9.771 2.676 5.194 32 HD13 ILE 4 3HD1 ILE 4 -8.419 2.138 6.190 33 H CYS 5 HN CYS 5 -4.934 -0.750 3.901 34 HA CYS 5 HA CYS 5 -4.820 -3.415 4.706 35 HB2 CYS 5 2HB CYS 5 -2.784 -1.869 3.097 36 HB3 CYS 5 1HB CYS 5 -3.039 -3.613 3.073 37 H GLY 6 HN GLY 6 -2.881 -0.619 5.656 38 HA2 GLY 6 2HA GLY 6 -1.506 -0.391 7.501 39 HA3 GLY 6 1HA GLY 6 -1.768 -2.085 7.875 40 H GLU 7 HN GLU 7 -0.960 -2.704 5.064 41 HA GLU 7 HA GLU 7 1.786 -3.221 5.501 42 HB2 GLU 7 2HB GLU 7 0.173 -3.383 2.969 43 HB3 GLU 7 1HB GLU 7 1.756 -4.091 3.235 44 HG2 GLU 7 2HG GLU 7 0.823 -5.533 4.949 45 HG3 GLU 7 1HG GLU 7 -0.771 -4.826 4.672 46 H THR 8 HN THR 8 3.426 -2.578 3.873 47 HA THR 8 HA THR 8 2.963 0.123 2.946 48 HB THR 8 HB THR 8 5.456 0.485 3.614 49 HG1 THR 8 1HG THR 8 4.655 -1.688 5.247 50 HG21 THR 8 1HG2 THR 8 3.292 0.366 5.730 51 HG22 THR 8 2HG2 THR 8 3.572 1.704 4.619 52 HG23 THR 8 3HG2 THR 8 4.785 1.302 5.834 53 H CYS 9 HN CYS 9 4.712 0.791 1.428 54 HA CYS 9 HA CYS 9 5.540 -1.477 -0.231 55 HB2 CYS 9 2HB CYS 9 5.069 1.397 -1.065 56 HB3 CYS 9 1HB CYS 9 5.625 0.096 -2.106 57 H LEU 10 HN LEU 10 7.305 -1.580 1.265 58 HA LEU 10 HA LEU 10 9.073 0.694 1.386 59 HB2 LEU 10 2HB LEU 10 8.603 -0.853 3.321 60 HB3 LEU 10 1HB LEU 10 9.478 -2.102 2.475 61 HG LEU 10 HG LEU 10 10.728 -1.014 4.349 62 HD11 LEU 10 1HD1 LEU 10 12.859 -0.735 3.198 63 HD12 LEU 10 2HD1 LEU 10 12.013 -0.687 1.649 64 HD13 LEU 10 3HD1 LEU 10 11.987 -2.158 2.622 65 HD21 LEU 10 1HD2 LEU 10 11.647 1.219 4.031 66 HD22 LEU 10 2HD2 LEU 10 9.880 1.246 4.058 67 HD23 LEU 10 3HD2 LEU 10 10.744 1.375 2.529 68 H LEU 11 HN LEU 11 8.978 -2.578 0.007 69 HA LEU 11 HA LEU 11 11.443 -2.288 -1.366 70 HB2 LEU 11 2HB LEU 11 9.160 -4.246 -1.581 71 HB3 LEU 11 1HB LEU 11 10.631 -4.363 -2.514 72 HG LEU 11 HG LEU 11 10.673 -5.906 -0.755 73 HD11 LEU 11 1HD1 LEU 11 12.572 -3.657 -0.140 74 HD12 LEU 11 2HD1 LEU 11 12.794 -4.932 -1.336 75 HD13 LEU 11 3HD1 LEU 11 12.769 -5.332 0.378 76 HD21 LEU 11 1HD2 LEU 11 10.706 -5.304 1.646 77 HD22 LEU 11 2HD2 LEU 11 9.165 -4.957 0.865 78 HD23 LEU 11 3HD2 LEU 11 10.298 -3.646 1.199 79 H GLY 12 HN GLY 12 8.363 -1.158 -1.766 80 HA2 GLY 12 2HA GLY 12 8.006 0.565 -3.442 81 HA3 GLY 12 1HA GLY 12 8.937 -0.420 -4.561 82 H LYS 13 HN LYS 13 7.434 -2.765 -3.380 83 HA LYS 13 HA LYS 13 5.089 -2.469 -5.126 84 HB2 LYS 13 2HB LYS 13 6.779 -4.090 -5.917 85 HB3 LYS 13 1HB LYS 13 6.684 -4.934 -4.385 86 HG2 LYS 13 2HG LYS 13 5.469 -6.162 -6.056 87 HG3 LYS 13 1HG LYS 13 4.337 -5.505 -4.875 88 HD2 LYS 13 2HD LYS 13 3.913 -3.615 -6.440 89 HD3 LYS 13 1HD LYS 13 4.928 -4.434 -7.624 90 HE2 LYS 13 2HE LYS 13 3.444 -6.359 -7.602 91 HE3 LYS 13 1HE LYS 13 2.443 -5.588 -6.375 92 HZ1 LYS 13 1HZ LYS 13 1.949 -3.821 -7.972 93 HZ2 LYS 13 2HZ LYS 13 1.460 -5.331 -8.537 94 HZ3 LYS 13 3HZ LYS 13 2.865 -4.624 -9.149 95 H CYS 14 HN CYS 14 3.092 -3.105 -4.325 96 HA CYS 14 HA CYS 14 3.017 -3.980 -1.530 97 HB2 CYS 14 2HB CYS 14 1.739 -1.878 -2.138 98 HB3 CYS 14 1HB CYS 14 0.750 -2.863 -3.216 99 H TYR 15 HN TYR 15 2.215 -5.995 -1.147 100 HA TYR 15 HA TYR 15 2.019 -7.592 -3.556 101 HB2 TYR 15 2HB TYR 15 2.510 -8.461 -0.710 102 HB3 TYR 15 1HB TYR 15 2.633 -9.480 -2.144 103 HD1 TYR 15 1HD TYR 15 4.345 -8.809 -3.937 104 HD2 TYR 15 2HD TYR 15 4.371 -7.188 -0.002 105 HE1 TYR 15 1HE TYR 15 6.655 -8.056 -4.262 106 HE2 TYR 15 2HE TYR 15 6.673 -6.435 -0.314 107 HH TYR 15 HH TYR 15 8.163 -6.262 -3.306 108 H THR 16 HN THR 16 -0.218 -6.171 -1.743 109 HA THR 16 HA THR 16 -2.031 -8.450 -1.924 110 HB THR 16 HB THR 16 -2.301 -5.893 -0.317 111 HG1 THR 16 1HG THR 16 -1.511 -7.034 1.288 112 HG21 THR 16 1HG2 THR 16 -4.284 -6.961 0.699 113 HG22 THR 16 2HG2 THR 16 -4.106 -8.337 -0.389 114 HG23 THR 16 3HG2 THR 16 -4.512 -6.749 -1.037 115 HA PRO 17 HA PRO 17 -3.773 -6.268 -5.454 116 HB2 PRO 17 2HB PRO 17 -5.604 -8.167 -6.109 117 HB3 PRO 17 1HB PRO 17 -3.891 -8.319 -6.515 118 HG2 PRO 17 2HG PRO 17 -5.429 -9.575 -4.284 119 HG3 PRO 17 1HG PRO 17 -4.161 -10.276 -5.303 120 HD2 PRO 17 2HD PRO 17 -3.736 -9.358 -2.767 121 HD3 PRO 17 1HD PRO 17 -2.476 -9.392 -4.018 122 H GLY 18 HN GLY 18 -5.353 -4.799 -5.471 123 HA2 GLY 18 2HA GLY 18 -7.637 -4.146 -5.155 124 HA3 GLY 18 1HA GLY 18 -7.706 -5.208 -3.750 125 H CYS 19 HN CYS 19 -4.828 -4.038 -3.449 126 HA CYS 19 HA CYS 19 -5.622 -1.646 -1.965 127 HB2 CYS 19 2HB CYS 19 -4.870 -3.688 -0.634 128 HB3 CYS 19 1HB CYS 19 -3.308 -3.530 -1.420 129 H SER 20 HN SER 20 -4.734 0.141 -2.910 130 HA SER 20 HA SER 20 -2.851 -0.294 -5.036 131 HB2 SER 20 2HB SER 20 -3.166 2.139 -5.521 132 HB3 SER 20 1HB SER 20 -4.665 1.220 -5.538 133 HG SER 20 HG SER 20 -4.500 2.035 -3.097 134 H CYS 21 HN CYS 21 -0.796 0.219 -5.073 135 HA CYS 21 HA CYS 21 0.450 0.809 -2.561 136 HB2 CYS 21 2HB CYS 21 1.379 -0.930 -3.987 137 HB3 CYS 21 1HB CYS 21 1.557 0.226 -5.296 138 H ARG 22 HN ARG 22 0.392 2.894 -2.001 139 HA ARG 22 HA ARG 22 1.308 4.845 -3.990 140 HB2 ARG 22 2HB ARG 22 -0.999 5.272 -3.041 141 HB3 ARG 22 1HB ARG 22 -0.271 5.344 -1.446 142 HG2 ARG 22 2HG ARG 22 1.120 7.257 -2.249 143 HG3 ARG 22 1HG ARG 22 0.165 7.242 -3.734 144 HD2 ARG 22 2HD ARG 22 -0.867 7.666 -0.931 145 HD3 ARG 22 1HD ARG 22 -0.722 8.894 -2.187 146 HE ARG 22 HE ARG 22 -2.346 6.693 -2.989 147 HH11 ARG 22 1HH1 ARG 22 -2.416 9.678 -1.099 148 HH12 ARG 22 2HH1 ARG 22 -4.081 9.931 -1.245 149 HH21 ARG 22 1HH2 ARG 22 -4.636 6.987 -3.205 150 HH22 ARG 22 2HH2 ARG 22 -5.401 8.329 -2.500 151 H ARG 23 HN ARG 23 3.397 4.626 -3.653 152 HA ARG 23 HA ARG 23 4.604 3.653 -1.404 153 HB2 ARG 23 2HB ARG 23 5.867 5.455 -3.464 154 HB3 ARG 23 1HB ARG 23 6.738 4.474 -2.312 155 HG2 ARG 23 2HG ARG 23 5.852 2.435 -3.274 156 HG3 ARG 23 1HG ARG 23 4.883 3.368 -4.410 157 HD2 ARG 23 2HD ARG 23 6.907 4.240 -5.444 158 HD3 ARG 23 1HD ARG 23 7.901 3.366 -4.276 159 HE ARG 23 HE ARG 23 6.165 1.582 -5.596 160 HH11 ARG 23 1HH1 ARG 23 9.119 3.425 -6.283 161 HH12 ARG 23 2HH1 ARG 23 9.692 2.308 -7.431 162 HH21 ARG 23 1HH2 ARG 23 6.959 0.106 -7.159 163 HH22 ARG 23 2HH2 ARG 23 8.441 0.384 -7.960 164 HA PRO 24 HA PRO 24 6.073 3.558 -0.196 165 HB2 PRO 24 2HB PRO 24 6.768 3.772 2.471 166 HB3 PRO 24 1HB PRO 24 7.773 4.261 1.110 167 HG2 PRO 24 2HG PRO 24 6.596 5.962 3.076 168 HG3 PRO 24 1HG PRO 24 7.494 6.443 1.630 169 HD2 PRO 24 2HD PRO 24 4.555 6.268 2.062 170 HD3 PRO 24 1HD PRO 24 5.475 7.364 1.012 171 H VAL 25 HN VAL 25 2.991 4.122 0.518 172 HA VAL 25 HA VAL 25 2.811 1.966 2.514 173 HB VAL 25 HB VAL 25 0.957 4.376 2.505 174 HG11 VAL 25 1HG1 VAL 25 1.196 2.146 4.506 175 HG12 VAL 25 2HG1 VAL 25 -0.139 2.421 3.387 176 HG13 VAL 25 3HG1 VAL 25 0.183 3.579 4.679 177 HG21 VAL 25 1HG2 VAL 25 3.161 5.077 3.212 178 HG22 VAL 25 2HG2 VAL 25 3.220 3.769 4.392 179 HG23 VAL 25 3HG2 VAL 25 2.046 5.071 4.578 180 H CYS 26 HN CYS 26 0.892 0.615 2.393 181 HA CYS 26 HA CYS 26 -0.290 0.517 -0.239 182 HB2 CYS 26 2HB CYS 26 -0.608 -1.256 2.190 183 HB3 CYS 26 1HB CYS 26 -1.388 -1.545 0.642 184 H TYR 27 HN TYR 27 -2.001 1.722 -0.653 185 HA TYR 27 HA TYR 27 -3.844 2.402 1.514 186 HB2 TYR 27 2HB TYR 27 -3.280 3.856 -1.080 187 HB3 TYR 27 1HB TYR 27 -4.612 4.214 -0.019 188 HD1 TYR 27 1HD TYR 27 -0.892 4.085 -0.043 189 HD2 TYR 27 2HD TYR 27 -4.389 5.729 1.697 190 HE1 TYR 27 1HE TYR 27 0.482 5.698 1.188 191 HE2 TYR 27 2HE TYR 27 -3.051 7.313 2.950 192 HH TYR 27 HH TYR 27 -0.808 7.618 3.739 193 H LYS 28 HN LYS 28 -5.591 1.289 1.453 194 HA LYS 28 HA LYS 28 -6.593 0.190 -1.028 195 HB2 LYS 28 2HB LYS 28 -6.750 -1.201 0.922 196 HB3 LYS 28 1HB LYS 28 -7.597 0.069 1.821 197 HG2 LYS 28 2HG LYS 28 -9.492 -0.177 0.228 198 HG3 LYS 28 1HG LYS 28 -8.616 -1.486 -0.552 199 HD2 LYS 28 2HD LYS 28 -8.522 -2.703 1.593 200 HD3 LYS 28 1HD LYS 28 -9.478 -1.425 2.334 201 HE2 LYS 28 2HE LYS 28 -11.320 -1.902 0.815 202 HE3 LYS 28 1HE LYS 28 -10.344 -3.145 0.031 203 HZ1 LYS 28 1HZ LYS 28 -11.213 -3.177 2.858 204 HZ2 LYS 28 2HZ LYS 28 -10.264 -4.346 2.111 205 HZ3 LYS 28 3HZ LYS 28 -11.864 -4.109 1.607 206 H ASN 29 HN ASN 29 -7.782 1.405 -2.231 207 HA ASN 29 HA ASN 29 -9.234 2.917 -3.032 208 HB2 ASN 29 2HB ASN 29 -10.756 2.293 -1.115 209 HB3 ASN 29 1HB ASN 29 -9.986 3.542 -0.151 210 HD21 ASN 29 1HD2 ASN 29 -12.135 2.811 -2.622 211 HD22 ASN 29 2HD2 ASN 29 -12.828 4.387 -2.847 Start of MODEL 14 1 H1 GLY 1 HN GLY 1 -6.986 4.489 -1.213 2 HA2 GLY 1 2HA GLY 1 -5.903 6.477 -0.654 3 HA3 GLY 1 1HA GLY 1 -7.466 7.219 -0.349 4 H LEU 2 HN LEU 2 -7.775 4.501 1.248 5 HA LEU 2 HA LEU 2 -6.919 5.768 3.724 6 HB2 LEU 2 2HB LEU 2 -8.969 3.628 3.183 7 HB3 LEU 2 1HB LEU 2 -8.590 4.256 4.778 8 HG LEU 2 HG LEU 2 -9.768 5.856 2.502 9 HD11 LEU 2 1HD1 LEU 2 -11.316 4.168 3.328 10 HD12 LEU 2 2HD1 LEU 2 -11.823 5.789 3.789 11 HD13 LEU 2 3HD1 LEU 2 -11.059 4.736 4.980 12 HD21 LEU 2 1HD2 LEU 2 -8.458 7.233 4.036 13 HD22 LEU 2 2HD2 LEU 2 -9.322 6.543 5.408 14 HD23 LEU 2 3HD2 LEU 2 -10.183 7.544 4.239 15 HA PRO 3 HA PRO 3 -3.927 2.503 4.386 16 HB2 PRO 3 2HB PRO 3 -4.323 2.761 7.281 17 HB3 PRO 3 1HB PRO 3 -2.923 3.225 6.313 18 HG2 PRO 3 2HG PRO 3 -4.531 5.047 7.473 19 HG3 PRO 3 1HG PRO 3 -3.747 5.343 5.912 20 HD2 PRO 3 2HD PRO 3 -6.557 4.477 6.481 21 HD3 PRO 3 1HD PRO 3 -5.955 5.725 5.364 22 H ILE 4 HN ILE 4 -6.461 1.504 3.909 23 HA ILE 4 HA ILE 4 -7.602 -0.194 5.868 24 HB ILE 4 HB ILE 4 -7.692 -0.444 2.866 25 HG12 ILE 4 2HG1 ILE 4 -8.507 1.726 3.599 26 HG13 ILE 4 1HG1 ILE 4 -9.835 0.760 2.969 27 HG21 ILE 4 1HG2 ILE 4 -8.386 -2.513 3.883 28 HG22 ILE 4 2HG2 ILE 4 -9.771 -1.695 3.156 29 HG23 ILE 4 3HG2 ILE 4 -9.545 -1.655 4.907 30 HD11 ILE 4 1HD1 ILE 4 -10.528 1.985 4.935 31 HD12 ILE 4 2HD1 ILE 4 -9.201 1.302 5.864 32 HD13 ILE 4 3HD1 ILE 4 -10.507 0.257 5.296 33 H CYS 5 HN CYS 5 -5.202 -0.772 3.342 34 HA CYS 5 HA CYS 5 -5.132 -3.567 3.697 35 HB2 CYS 5 2HB CYS 5 -2.988 -1.833 2.407 36 HB3 CYS 5 1HB CYS 5 -3.217 -3.565 2.223 37 H GLY 6 HN GLY 6 -3.316 -0.938 5.200 38 HA2 GLY 6 2HA GLY 6 -2.148 -0.980 7.175 39 HA3 GLY 6 1HA GLY 6 -2.556 -2.685 7.332 40 H GLU 7 HN GLU 7 -1.245 -1.882 4.397 41 HA GLU 7 HA GLU 7 1.243 -3.198 5.161 42 HB2 GLU 7 2HB GLU 7 -0.147 -3.091 2.503 43 HB3 GLU 7 1HB GLU 7 1.464 -3.748 2.745 44 HG2 GLU 7 2HG GLU 7 -1.105 -4.739 3.914 45 HG3 GLU 7 1HG GLU 7 -0.104 -5.503 2.663 46 H THR 8 HN THR 8 2.995 -2.695 3.659 47 HA THR 8 HA THR 8 3.095 0.186 3.187 48 HB THR 8 HB THR 8 5.574 -0.022 3.696 49 HG1 THR 8 1HG THR 8 4.720 -2.513 4.790 50 HG21 THR 8 1HG2 THR 8 3.665 -0.677 5.938 51 HG22 THR 8 2HG2 THR 8 4.003 0.937 5.306 52 HG23 THR 8 3HG2 THR 8 5.275 0.025 6.125 53 H CYS 9 HN CYS 9 4.905 0.699 1.639 54 HA CYS 9 HA CYS 9 5.179 -1.384 -0.391 55 HB2 CYS 9 2HB CYS 9 4.878 1.595 -0.738 56 HB3 CYS 9 1HB CYS 9 5.480 0.550 -2.010 57 H LEU 10 HN LEU 10 7.022 -1.976 0.841 58 HA LEU 10 HA LEU 10 9.191 -0.060 0.938 59 HB2 LEU 10 2HB LEU 10 9.121 -2.987 1.655 60 HB3 LEU 10 1HB LEU 10 10.445 -1.889 1.982 61 HG LEU 10 HG LEU 10 7.687 -1.757 3.192 62 HD11 LEU 10 1HD1 LEU 10 10.341 -2.543 4.356 63 HD12 LEU 10 2HD1 LEU 10 8.965 -3.604 4.049 64 HD13 LEU 10 3HD1 LEU 10 8.845 -2.329 5.261 65 HD21 LEU 10 1HD2 LEU 10 8.620 0.483 2.943 66 HD22 LEU 10 2HD2 LEU 10 10.124 -0.044 3.692 67 HD23 LEU 10 3HD2 LEU 10 8.639 -0.002 4.638 68 H LEU 11 HN LEU 11 8.191 -2.847 -0.885 69 HA LEU 11 HA LEU 11 10.575 -2.895 -2.514 70 HB2 LEU 11 2HB LEU 11 8.037 -4.528 -2.511 71 HB3 LEU 11 1HB LEU 11 9.315 -4.755 -3.674 72 HG LEU 11 HG LEU 11 10.841 -5.367 -1.794 73 HD11 LEU 11 1HD1 LEU 11 8.347 -5.340 -0.130 74 HD12 LEU 11 2HD1 LEU 11 9.754 -4.292 0.051 75 HD13 LEU 11 3HD1 LEU 11 9.901 -6.024 0.353 76 HD21 LEU 11 1HD2 LEU 11 9.930 -7.601 -1.477 77 HD22 LEU 11 2HD2 LEU 11 9.744 -7.057 -3.150 78 HD23 LEU 11 3HD2 LEU 11 8.362 -7.042 -2.057 79 H GLY 12 HN GLY 12 8.286 -0.747 -2.462 80 HA2 GLY 12 2HA GLY 12 7.502 0.766 -4.033 81 HA3 GLY 12 1HA GLY 12 8.313 -0.174 -5.279 82 H LYS 13 HN LYS 13 6.500 -2.236 -3.523 83 HA LYS 13 HA LYS 13 4.082 -1.966 -5.127 84 HB2 LYS 13 2HB LYS 13 5.707 -3.437 -6.300 85 HB3 LYS 13 1HB LYS 13 5.802 -4.449 -4.876 86 HG2 LYS 13 2HG LYS 13 3.367 -4.943 -5.152 87 HG3 LYS 13 1HG LYS 13 3.418 -4.051 -6.673 88 HD2 LYS 13 2HD LYS 13 5.122 -6.448 -6.005 89 HD3 LYS 13 1HD LYS 13 3.655 -6.506 -6.970 90 HE2 LYS 13 2HE LYS 13 6.133 -4.918 -7.673 91 HE3 LYS 13 1HE LYS 13 5.747 -6.501 -8.319 92 HZ1 LYS 13 1HZ LYS 13 4.142 -4.020 -8.729 93 HZ2 LYS 13 2HZ LYS 13 3.730 -5.569 -9.280 94 HZ3 LYS 13 3HZ LYS 13 5.109 -4.815 -9.857 95 H CYS 14 HN CYS 14 2.323 -3.076 -4.075 96 HA CYS 14 HA CYS 14 2.575 -3.291 -1.232 97 HB2 CYS 14 2HB CYS 14 0.267 -3.854 -3.091 98 HB3 CYS 14 1HB CYS 14 0.179 -3.964 -1.344 99 H TYR 15 HN TYR 15 2.180 -5.139 -0.020 100 HA TYR 15 HA TYR 15 3.000 -7.625 -1.192 101 HB2 TYR 15 2HB TYR 15 1.935 -7.094 1.590 102 HB3 TYR 15 1HB TYR 15 2.887 -8.481 1.070 103 HD1 TYR 15 1HD TYR 15 5.293 -8.064 0.337 104 HD2 TYR 15 2HD TYR 15 2.970 -5.158 2.363 105 HE1 TYR 15 1HE TYR 15 7.339 -6.861 0.952 106 HE2 TYR 15 2HE TYR 15 5.001 -3.941 2.968 107 HH TYR 15 HH TYR 15 7.365 -4.480 3.308 108 H THR 16 HN THR 16 0.063 -6.005 -0.389 109 HA THR 16 HA THR 16 -1.504 -8.436 -0.718 110 HB THR 16 HB THR 16 -2.453 -5.690 0.111 111 HG1 THR 16 1HG THR 16 -1.395 -7.869 1.596 112 HG21 THR 16 1HG2 THR 16 -3.587 -8.467 0.552 113 HG22 THR 16 2HG2 THR 16 -4.186 -7.300 -0.627 114 HG23 THR 16 3HG2 THR 16 -4.309 -6.951 1.098 115 HA PRO 17 HA PRO 17 -2.504 -6.813 -4.872 116 HB2 PRO 17 2HB PRO 17 -4.116 -9.265 -5.026 117 HB3 PRO 17 1HB PRO 17 -2.774 -8.754 -6.050 118 HG2 PRO 17 2HG PRO 17 -2.509 -10.796 -4.334 119 HG3 PRO 17 1HG PRO 17 -1.179 -9.668 -4.648 120 HD2 PRO 17 2HD PRO 17 -3.092 -9.733 -2.346 121 HD3 PRO 17 1HD PRO 17 -1.324 -9.524 -2.351 122 H GLY 18 HN GLY 18 -4.214 -5.578 -5.401 123 HA2 GLY 18 2HA GLY 18 -6.598 -5.222 -5.531 124 HA3 GLY 18 1HA GLY 18 -6.754 -6.007 -3.960 125 H CYS 19 HN CYS 19 -4.075 -4.249 -3.757 126 HA CYS 19 HA CYS 19 -5.463 -1.971 -2.559 127 HB2 CYS 19 2HB CYS 19 -2.698 -3.081 -2.093 128 HB3 CYS 19 1HB CYS 19 -3.364 -1.667 -1.293 129 H SER 20 HN SER 20 -4.086 0.087 -2.648 130 HA SER 20 HA SER 20 -2.905 0.373 -5.291 131 HB2 SER 20 2HB SER 20 -4.412 2.355 -3.574 132 HB3 SER 20 1HB SER 20 -3.707 2.718 -5.149 133 HG SER 20 HG SER 20 -5.062 0.777 -5.801 134 H CYS 21 HN CYS 21 -0.786 0.738 -5.181 135 HA CYS 21 HA CYS 21 0.445 1.213 -2.630 136 HB2 CYS 21 2HB CYS 21 1.361 -0.467 -4.156 137 HB3 CYS 21 1HB CYS 21 1.628 0.777 -5.370 138 H ARG 22 HN ARG 22 1.332 3.041 -1.932 139 HA ARG 22 HA ARG 22 2.008 5.165 -3.778 140 HB2 ARG 22 2HB ARG 22 -0.295 5.709 -2.916 141 HB3 ARG 22 1HB ARG 22 0.327 5.583 -1.277 142 HG2 ARG 22 2HG ARG 22 0.123 7.905 -1.862 143 HG3 ARG 22 1HG ARG 22 1.833 7.494 -1.745 144 HD2 ARG 22 2HD ARG 22 1.917 7.288 -4.204 145 HD3 ARG 22 1HD ARG 22 0.218 7.752 -4.280 146 HE ARG 22 HE ARG 22 1.737 9.681 -2.868 147 HH11 ARG 22 1HH1 ARG 22 0.891 8.631 -6.146 148 HH12 ARG 22 2HH1 ARG 22 1.402 10.077 -6.889 149 HH21 ARG 22 1HH2 ARG 22 2.462 11.695 -3.941 150 HH22 ARG 22 2HH2 ARG 22 2.316 11.809 -5.641 151 H ARG 23 HN ARG 23 4.045 4.411 -3.358 152 HA ARG 23 HA ARG 23 5.172 3.607 -1.050 153 HB2 ARG 23 2HB ARG 23 7.414 4.231 -1.970 154 HB3 ARG 23 1HB ARG 23 6.403 3.301 -3.058 155 HG2 ARG 23 2HG ARG 23 5.857 5.365 -4.289 156 HG3 ARG 23 1HG ARG 23 6.889 6.268 -3.181 157 HD2 ARG 23 2HD ARG 23 8.837 5.063 -3.898 158 HD3 ARG 23 1HD ARG 23 7.854 3.965 -4.865 159 HE ARG 23 HE ARG 23 7.247 6.285 -5.980 160 HH11 ARG 23 1HH1 ARG 23 10.442 5.075 -5.082 161 HH12 ARG 23 2HH1 ARG 23 11.261 5.819 -6.367 162 HH21 ARG 23 1HH2 ARG 23 8.302 7.240 -7.768 163 HH22 ARG 23 2HH2 ARG 23 9.978 7.081 -8.004 164 HA PRO 24 HA PRO 24 6.677 3.355 0.174 165 HB2 PRO 24 2HB PRO 24 7.477 3.407 2.690 166 HB3 PRO 24 1HB PRO 24 8.370 4.281 1.443 167 HG2 PRO 24 2HG PRO 24 6.532 5.335 3.537 168 HG3 PRO 24 1HG PRO 24 7.983 6.074 2.844 169 HD2 PRO 24 2HD PRO 24 5.286 6.586 2.106 170 HD3 PRO 24 1HD PRO 24 6.746 7.160 1.280 171 H VAL 25 HN VAL 25 3.699 4.308 0.794 172 HA VAL 25 HA VAL 25 3.146 2.225 2.794 173 HB VAL 25 HB VAL 25 1.520 4.769 2.407 174 HG11 VAL 25 1HG1 VAL 25 1.428 2.716 4.609 175 HG12 VAL 25 2HG1 VAL 25 0.224 2.930 3.339 176 HG13 VAL 25 3HG1 VAL 25 0.472 4.196 4.543 177 HG21 VAL 25 1HG2 VAL 25 2.478 5.574 4.525 178 HG22 VAL 25 2HG2 VAL 25 3.709 5.372 3.278 179 HG23 VAL 25 3HG2 VAL 25 3.550 4.172 4.562 180 H CYS 26 HN CYS 26 0.965 1.151 2.501 181 HA CYS 26 HA CYS 26 0.189 1.171 -0.326 182 HB2 CYS 26 2HB CYS 26 1.192 -0.961 0.548 183 HB3 CYS 26 1HB CYS 26 -0.082 -1.002 1.746 184 H TYR 27 HN TYR 27 -1.929 1.743 -0.711 185 HA TYR 27 HA TYR 27 -3.656 2.022 1.644 186 HB2 TYR 27 2HB TYR 27 -3.402 3.884 -0.729 187 HB3 TYR 27 1HB TYR 27 -4.657 3.996 0.495 188 HD1 TYR 27 1HD TYR 27 -1.122 4.544 -0.246 189 HD2 TYR 27 2HD TYR 27 -4.148 4.831 2.716 190 HE1 TYR 27 1HE TYR 27 0.336 5.995 1.081 191 HE2 TYR 27 2HE TYR 27 -2.723 6.273 4.067 192 HH TYR 27 HH TYR 27 -0.369 6.805 4.349 193 H LYS 28 HN LYS 28 -5.965 2.159 0.984 194 HA LYS 28 HA LYS 28 -6.619 1.052 -1.602 195 HB2 LYS 28 2HB LYS 28 -6.467 -0.899 -0.057 196 HB3 LYS 28 1HB LYS 28 -7.619 -0.096 1.013 197 HG2 LYS 28 2HG LYS 28 -9.313 -0.247 -0.752 198 HG3 LYS 28 1HG LYS 28 -8.138 -1.073 -1.778 199 HD2 LYS 28 2HD LYS 28 -7.937 -2.855 -0.108 200 HD3 LYS 28 1HD LYS 28 -9.132 -2.040 0.897 201 HE2 LYS 28 2HE LYS 28 -10.200 -3.827 -0.336 202 HE3 LYS 28 1HE LYS 28 -10.773 -2.263 -0.909 203 HZ1 LYS 28 1HZ LYS 28 -8.684 -3.893 -2.253 204 HZ2 LYS 28 2HZ LYS 28 -9.335 -2.471 -2.853 205 HZ3 LYS 28 3HZ LYS 28 -10.281 -3.842 -2.718 206 H ASN 29 HN ASN 29 -7.896 2.563 -2.348 207 HA ASN 29 HA ASN 29 -9.534 4.094 -2.584 208 HB2 ASN 29 2HB ASN 29 -10.530 3.086 0.107 209 HB3 ASN 29 1HB ASN 29 -11.380 4.273 -0.872 210 HD21 ASN 29 1HD2 ASN 29 -12.312 3.594 -2.818 211 HD22 ASN 29 2HD2 ASN 29 -12.662 1.926 -3.118 Start of MODEL 15 1 H1 GLY 1 HN GLY 1 -7.143 4.448 -1.305 2 HA2 GLY 1 2HA GLY 1 -6.402 6.615 -0.723 3 HA3 GLY 1 1HA GLY 1 -8.066 7.047 -0.349 4 H LEU 2 HN LEU 2 -8.044 4.279 1.083 5 HA LEU 2 HA LEU 2 -7.193 5.459 3.609 6 HB2 LEU 2 2HB LEU 2 -9.037 3.157 3.022 7 HB3 LEU 2 1HB LEU 2 -8.506 3.568 4.635 8 HG LEU 2 HG LEU 2 -9.632 5.836 4.206 9 HD11 LEU 2 1HD1 LEU 2 -9.906 5.639 1.795 10 HD12 LEU 2 2HD1 LEU 2 -11.465 5.819 2.600 11 HD13 LEU 2 3HD1 LEU 2 -10.950 4.236 2.021 12 HD21 LEU 2 1HD2 LEU 2 -10.445 4.115 5.718 13 HD22 LEU 2 2HD2 LEU 2 -11.302 3.341 4.380 14 HD23 LEU 2 3HD2 LEU 2 -11.764 4.956 4.917 15 HA PRO 3 HA PRO 3 -3.886 2.484 3.867 16 HB2 PRO 3 2HB PRO 3 -3.327 2.683 6.485 17 HB3 PRO 3 1HB PRO 3 -3.014 4.034 5.387 18 HG2 PRO 3 2HG PRO 3 -5.346 3.600 7.218 19 HG3 PRO 3 1HG PRO 3 -4.368 5.059 6.989 20 HD2 PRO 3 2HD PRO 3 -6.768 4.695 5.789 21 HD3 PRO 3 1HD PRO 3 -5.454 5.633 5.045 22 H ILE 4 HN ILE 4 -6.296 1.299 3.648 23 HA ILE 4 HA ILE 4 -7.325 -0.294 5.706 24 HB ILE 4 HB ILE 4 -7.230 -0.824 2.730 25 HG12 ILE 4 2HG1 ILE 4 -8.353 1.264 3.279 26 HG13 ILE 4 1HG1 ILE 4 -9.501 0.086 2.658 27 HG21 ILE 4 1HG2 ILE 4 -9.004 -2.131 4.779 28 HG22 ILE 4 2HG2 ILE 4 -7.697 -2.893 3.870 29 HG23 ILE 4 3HG2 ILE 4 -9.133 -2.305 3.030 30 HD11 ILE 4 1HD1 ILE 4 -10.462 1.316 4.503 31 HD12 ILE 4 2HD1 ILE 4 -9.114 0.866 5.544 32 HD13 ILE 4 3HD1 ILE 4 -10.233 -0.370 4.967 33 H CYS 5 HN CYS 5 -4.903 -0.988 3.265 34 HA CYS 5 HA CYS 5 -4.377 -3.635 4.166 35 HB2 CYS 5 2HB CYS 5 -2.622 -1.863 2.476 36 HB3 CYS 5 1HB CYS 5 -2.693 -3.628 2.471 37 H GLY 6 HN GLY 6 -2.914 -0.454 4.581 38 HA2 GLY 6 2HA GLY 6 -1.509 0.411 6.168 39 HA3 GLY 6 1HA GLY 6 -2.042 -0.910 7.195 40 H GLU 7 HN GLU 7 -0.377 -1.329 4.179 41 HA GLU 7 HA GLU 7 1.781 -2.602 5.678 42 HB2 GLU 7 2HB GLU 7 1.049 -2.902 2.775 43 HB3 GLU 7 1HB GLU 7 2.332 -3.755 3.612 44 HG2 GLU 7 2HG GLU 7 0.654 -4.740 5.076 45 HG3 GLU 7 1HG GLU 7 -0.606 -3.990 4.091 46 H THR 8 HN THR 8 3.895 -2.249 4.904 47 HA THR 8 HA THR 8 4.144 0.311 3.597 48 HB THR 8 HB THR 8 6.571 -0.030 4.260 49 HG1 THR 8 1HG THR 8 7.029 -1.639 5.606 50 HG21 THR 8 1HG2 THR 8 4.449 0.262 6.380 51 HG22 THR 8 2HG2 THR 8 5.117 1.555 5.384 52 HG23 THR 8 3HG2 THR 8 6.136 0.744 6.580 53 H CYS 9 HN CYS 9 4.871 0.393 1.622 54 HA CYS 9 HA CYS 9 5.585 -2.171 0.402 55 HB2 CYS 9 2HB CYS 9 4.757 -1.205 -1.745 56 HB3 CYS 9 1HB CYS 9 3.515 -1.388 -0.517 57 H LEU 10 HN LEU 10 7.689 -1.744 1.266 58 HA LEU 10 HA LEU 10 9.187 0.479 0.357 59 HB2 LEU 10 2HB LEU 10 10.155 -2.116 1.531 60 HB3 LEU 10 1HB LEU 10 11.137 -0.692 1.284 61 HG LEU 10 HG LEU 10 8.807 -0.941 3.186 62 HD11 LEU 10 1HD1 LEU 10 10.506 -0.678 4.909 63 HD12 LEU 10 2HD1 LEU 10 11.762 -0.660 3.671 64 HD13 LEU 10 3HD1 LEU 10 10.796 -2.114 3.926 65 HD21 LEU 10 1HD2 LEU 10 9.446 1.306 3.947 66 HD22 LEU 10 2HD2 LEU 10 8.909 1.314 2.272 67 HD23 LEU 10 3HD2 LEU 10 10.632 1.404 2.645 68 H LEU 11 HN LEU 11 8.749 -2.772 -0.838 69 HA LEU 11 HA LEU 11 10.946 -2.715 -2.622 70 HB2 LEU 11 2HB LEU 11 8.431 -4.363 -2.801 71 HB3 LEU 11 1HB LEU 11 9.888 -4.631 -3.732 72 HG LEU 11 HG LEU 11 9.541 -4.976 -0.760 73 HD11 LEU 11 1HD1 LEU 11 8.628 -6.773 -2.103 74 HD12 LEU 11 2HD1 LEU 11 10.061 -7.302 -1.223 75 HD13 LEU 11 3HD1 LEU 11 10.168 -6.941 -2.945 76 HD21 LEU 11 1HD2 LEU 11 12.043 -5.231 -2.428 77 HD22 LEU 11 2HD2 LEU 11 11.879 -5.756 -0.755 78 HD23 LEU 11 3HD2 LEU 11 11.747 -4.045 -1.153 79 H GLY 12 HN GLY 12 7.705 -1.492 -2.847 80 HA2 GLY 12 2HA GLY 12 7.511 0.414 -4.391 81 HA3 GLY 12 1HA GLY 12 8.312 -0.606 -5.588 82 H LYS 13 HN LYS 13 6.754 -2.760 -4.070 83 HA LYS 13 HA LYS 13 4.274 -2.496 -5.599 84 HB2 LYS 13 2HB LYS 13 5.827 -4.947 -4.828 85 HB3 LYS 13 1HB LYS 13 4.226 -4.952 -5.532 86 HG2 LYS 13 2HG LYS 13 6.750 -3.949 -6.805 87 HG3 LYS 13 1HG LYS 13 5.924 -5.465 -7.174 88 HD2 LYS 13 2HD LYS 13 3.944 -4.112 -7.882 89 HD3 LYS 13 1HD LYS 13 4.935 -2.666 -7.682 90 HE2 LYS 13 2HE LYS 13 5.476 -4.964 -9.561 91 HE3 LYS 13 1HE LYS 13 4.910 -3.360 -10.014 92 HZ1 LYS 13 1HZ LYS 13 7.259 -3.549 -10.410 93 HZ2 LYS 13 2HZ LYS 13 7.541 -4.044 -8.831 94 HZ3 LYS 13 3HZ LYS 13 7.032 -2.479 -9.125 95 H CYS 14 HN CYS 14 2.481 -3.290 -4.604 96 HA CYS 14 HA CYS 14 2.572 -3.268 -1.707 97 HB2 CYS 14 2HB CYS 14 0.847 -1.940 -2.987 98 HB3 CYS 14 1HB CYS 14 0.171 -3.479 -3.526 99 H TYR 15 HN TYR 15 1.591 -5.026 -0.530 100 HA TYR 15 HA TYR 15 2.142 -7.534 -1.894 101 HB2 TYR 15 2HB TYR 15 1.766 -7.032 1.065 102 HB3 TYR 15 1HB TYR 15 2.465 -8.466 0.305 103 HD1 TYR 15 1HD TYR 15 3.155 -5.273 1.688 104 HD2 TYR 15 2HD TYR 15 4.579 -8.115 -1.128 105 HE1 TYR 15 1HE TYR 15 5.323 -4.169 1.696 106 HE2 TYR 15 2HE TYR 15 6.773 -7.030 -1.129 107 HH TYR 15 HH TYR 15 7.638 -4.651 1.191 108 H THR 16 HN THR 16 -0.393 -5.723 -0.450 109 HA THR 16 HA THR 16 -2.225 -7.932 -0.434 110 HB THR 16 HB THR 16 -2.698 -4.964 -0.004 111 HG1 THR 16 1HG THR 16 -1.390 -5.801 1.601 112 HG21 THR 16 1HG2 THR 16 -4.816 -5.641 1.024 113 HG22 THR 16 2HG2 THR 16 -4.471 -7.330 0.651 114 HG23 THR 16 3HG2 THR 16 -4.755 -6.180 -0.656 115 HA PRO 17 HA PRO 17 -3.436 -7.207 -4.717 116 HB2 PRO 17 2HB PRO 17 -5.421 -9.057 -4.808 117 HB3 PRO 17 1HB PRO 17 -3.711 -9.497 -4.886 118 HG2 PRO 17 2HG PRO 17 -5.596 -9.624 -2.575 119 HG3 PRO 17 1HG PRO 17 -4.336 -10.773 -3.057 120 HD2 PRO 17 2HD PRO 17 -4.045 -8.937 -1.055 121 HD3 PRO 17 1HD PRO 17 -2.689 -9.593 -1.991 122 H GLY 18 HN GLY 18 -4.941 -5.823 -5.558 123 HA2 GLY 18 2HA GLY 18 -6.918 -4.622 -5.702 124 HA3 GLY 18 1HA GLY 18 -7.492 -5.454 -4.257 125 H CYS 19 HN CYS 19 -4.390 -4.047 -4.262 126 HA CYS 19 HA CYS 19 -5.262 -1.705 -2.755 127 HB2 CYS 19 2HB CYS 19 -4.712 -3.711 -1.264 128 HB3 CYS 19 1HB CYS 19 -3.074 -3.605 -1.883 129 H SER 20 HN SER 20 -3.426 -0.081 -2.770 130 HA SER 20 HA SER 20 -1.574 -0.658 -4.953 131 HB2 SER 20 2HB SER 20 -3.163 1.882 -4.565 132 HB3 SER 20 1HB SER 20 -1.932 1.622 -5.807 133 HG SER 20 HG SER 20 -3.206 -0.198 -6.472 134 H CYS 21 HN CYS 21 0.372 0.563 -4.961 135 HA CYS 21 HA CYS 21 1.249 1.067 -2.259 136 HB2 CYS 21 2HB CYS 21 2.592 -0.479 -3.540 137 HB3 CYS 21 1HB CYS 21 2.763 0.692 -4.840 138 H ARG 22 HN ARG 22 0.661 3.074 -1.721 139 HA ARG 22 HA ARG 22 1.678 5.230 -3.411 140 HB2 ARG 22 2HB ARG 22 -0.774 5.350 -2.716 141 HB3 ARG 22 1HB ARG 22 -0.230 5.379 -1.050 142 HG2 ARG 22 2HG ARG 22 -0.830 7.592 -1.772 143 HG3 ARG 22 1HG ARG 22 0.902 7.506 -1.447 144 HD2 ARG 22 2HD ARG 22 1.381 7.360 -3.805 145 HD3 ARG 22 1HD ARG 22 -0.339 7.272 -4.186 146 HE ARG 22 HE ARG 22 -0.091 9.577 -2.808 147 HH11 ARG 22 1HH1 ARG 22 1.499 8.301 -5.695 148 HH12 ARG 22 2HH1 ARG 22 1.738 9.824 -6.424 149 HH21 ARG 22 1HH2 ARG 22 0.206 11.676 -3.803 150 HH22 ARG 22 2HH2 ARG 22 0.966 11.809 -5.322 151 H ARG 23 HN ARG 23 3.722 4.879 -2.864 152 HA ARG 23 HA ARG 23 4.766 3.883 -0.618 153 HB2 ARG 23 2HB ARG 23 6.151 5.959 -2.297 154 HB3 ARG 23 1HB ARG 23 6.925 4.874 -1.166 155 HG2 ARG 23 2HG ARG 23 6.066 2.963 -2.526 156 HG3 ARG 23 1HG ARG 23 5.557 4.147 -3.731 157 HD2 ARG 23 2HD ARG 23 8.353 3.744 -2.708 158 HD3 ARG 23 1HD ARG 23 7.749 3.212 -4.276 159 HE ARG 23 HE ARG 23 7.271 5.863 -4.289 160 HH11 ARG 23 1HH1 ARG 23 10.177 3.992 -3.577 161 HH12 ARG 23 2HH1 ARG 23 11.265 5.145 -4.210 162 HH21 ARG 23 1HH2 ARG 23 8.776 7.451 -5.182 163 HH22 ARG 23 2HH2 ARG 23 10.446 7.147 -5.128 164 HA PRO 24 HA PRO 24 6.156 3.677 0.659 165 HB2 PRO 24 2HB PRO 24 6.746 3.426 3.230 166 HB3 PRO 24 1HB PRO 24 7.631 4.550 2.194 167 HG2 PRO 24 2HG PRO 24 5.578 5.114 4.269 168 HG3 PRO 24 1HG PRO 24 6.947 6.103 3.746 169 HD2 PRO 24 2HD PRO 24 4.222 6.345 2.925 170 HD3 PRO 24 1HD PRO 24 5.617 7.243 2.302 171 H VAL 25 HN VAL 25 3.025 4.223 1.263 172 HA VAL 25 HA VAL 25 2.677 1.801 2.889 173 HB VAL 25 HB VAL 25 0.976 4.309 3.102 174 HG11 VAL 25 1HG1 VAL 25 -0.360 2.334 3.540 175 HG12 VAL 25 2HG1 VAL 25 -0.096 3.245 5.026 176 HG13 VAL 25 3HG1 VAL 25 0.824 1.772 4.718 177 HG21 VAL 25 1HG2 VAL 25 2.974 3.174 5.050 178 HG22 VAL 25 2HG2 VAL 25 1.924 4.559 5.349 179 HG23 VAL 25 3HG2 VAL 25 3.165 4.646 4.099 180 H CYS 26 HN CYS 26 1.043 0.461 2.402 181 HA CYS 26 HA CYS 26 -0.163 0.583 -0.205 182 HB2 CYS 26 2HB CYS 26 -0.317 -1.368 2.065 183 HB3 CYS 26 1HB CYS 26 -1.388 -1.493 0.681 184 H TYR 27 HN TYR 27 -1.876 1.701 -0.612 185 HA TYR 27 HA TYR 27 -3.903 2.072 1.470 186 HB2 TYR 27 2HB TYR 27 -3.099 3.912 -0.779 187 HB3 TYR 27 1HB TYR 27 -4.572 4.110 0.151 188 HD1 TYR 27 1HD TYR 27 -4.514 5.095 2.336 189 HD2 TYR 27 2HD TYR 27 -0.905 4.259 0.280 190 HE1 TYR 27 1HE TYR 27 -3.293 6.494 3.930 191 HE2 TYR 27 2HE TYR 27 0.328 5.663 1.847 192 HH TYR 27 HH TYR 27 -0.861 6.646 4.776 193 H LYS 28 HN LYS 28 -5.984 1.875 0.872 194 HA LYS 28 HA LYS 28 -6.552 0.919 -1.816 195 HB2 LYS 28 2HB LYS 28 -6.481 -0.982 -0.186 196 HB3 LYS 28 1HB LYS 28 -7.746 -0.173 0.738 197 HG2 LYS 28 2HG LYS 28 -9.198 -0.281 -1.263 198 HG3 LYS 28 1HG LYS 28 -7.944 -1.214 -2.073 199 HD2 LYS 28 2HD LYS 28 -8.090 -2.895 -0.248 200 HD3 LYS 28 1HD LYS 28 -9.450 -1.989 0.419 201 HE2 LYS 28 2HE LYS 28 -9.299 -3.318 -2.283 202 HE3 LYS 28 1HE LYS 28 -10.295 -3.799 -0.910 203 HZ1 LYS 28 1HZ LYS 28 -11.587 -2.607 -2.535 204 HZ2 LYS 28 2HZ LYS 28 -10.570 -1.285 -2.467 205 HZ3 LYS 28 3HZ LYS 28 -11.503 -1.696 -1.128 206 H ASN 29 HN ASN 29 -7.812 2.420 -2.633 207 HA ASN 29 HA ASN 29 -9.541 3.858 -2.976 208 HB2 ASN 29 2HB ASN 29 -10.843 1.962 -1.852 209 HB3 ASN 29 1HB ASN 29 -10.691 2.849 -0.349 210 HD21 ASN 29 1HD2 ASN 29 -12.109 2.785 -3.494 211 HD22 ASN 29 2HD2 ASN 29 -13.383 3.913 -3.188 Start of MODEL 16 1 H1 GLY 1 HN GLY 1 -6.711 3.636 -1.348 2 HA2 GLY 1 2HA GLY 1 -5.778 5.799 -1.089 3 HA3 GLY 1 1HA GLY 1 -7.407 6.461 -1.030 4 H LEU 2 HN LEU 2 -7.555 3.884 0.941 5 HA LEU 2 HA LEU 2 -6.844 5.492 3.307 6 HB2 LEU 2 2HB LEU 2 -8.789 3.194 3.064 7 HB3 LEU 2 1HB LEU 2 -8.475 4.115 4.519 8 HG LEU 2 HG LEU 2 -9.806 5.123 2.012 9 HD11 LEU 2 1HD1 LEU 2 -10.886 4.589 4.770 10 HD12 LEU 2 2HD1 LEU 2 -11.182 3.611 3.335 11 HD13 LEU 2 3HD1 LEU 2 -11.791 5.265 3.415 12 HD21 LEU 2 1HD2 LEU 2 -10.246 7.153 3.294 13 HD22 LEU 2 2HD2 LEU 2 -8.519 6.893 3.061 14 HD23 LEU 2 3HD2 LEU 2 -9.266 6.532 4.622 15 HA PRO 3 HA PRO 3 -3.695 2.439 4.010 16 HB2 PRO 3 2HB PRO 3 -3.106 2.983 6.583 17 HB3 PRO 3 1HB PRO 3 -2.703 4.105 5.277 18 HG2 PRO 3 2HG PRO 3 -5.027 4.159 7.168 19 HG3 PRO 3 1HG PRO 3 -3.961 5.490 6.676 20 HD2 PRO 3 2HD PRO 3 -6.411 5.096 5.590 21 HD3 PRO 3 1HD PRO 3 -5.055 5.787 4.675 22 H ILE 4 HN ILE 4 -6.287 1.362 4.136 23 HA ILE 4 HA ILE 4 -6.842 -0.028 6.553 24 HB ILE 4 HB ILE 4 -7.736 -0.685 3.727 25 HG12 ILE 4 2HG1 ILE 4 -8.435 1.558 4.379 26 HG13 ILE 4 1HG1 ILE 4 -9.827 0.484 4.316 27 HG21 ILE 4 1HG2 ILE 4 -8.886 -1.622 6.355 28 HG22 ILE 4 2HG2 ILE 4 -8.015 -2.610 5.183 29 HG23 ILE 4 3HG2 ILE 4 -9.585 -1.924 4.762 30 HD11 ILE 4 1HD1 ILE 4 -9.971 1.978 6.214 31 HD12 ILE 4 2HD1 ILE 4 -8.406 1.427 6.803 32 HD13 ILE 4 3HD1 ILE 4 -9.776 0.314 6.769 33 H CYS 5 HN CYS 5 -5.156 -0.948 3.558 34 HA CYS 5 HA CYS 5 -4.604 -3.602 4.238 35 HB2 CYS 5 2HB CYS 5 -2.927 -1.704 2.572 36 HB3 CYS 5 1HB CYS 5 -2.768 -3.457 2.590 37 H GLY 6 HN GLY 6 -2.753 -0.626 4.815 38 HA2 GLY 6 2HA GLY 6 -1.489 -0.081 6.640 39 HA3 GLY 6 1HA GLY 6 -1.873 -1.646 7.329 40 H GLU 7 HN GLU 7 -0.690 -2.145 4.311 41 HA GLU 7 HA GLU 7 1.843 -3.011 5.380 42 HB2 GLU 7 2HB GLU 7 0.760 -3.184 2.574 43 HB3 GLU 7 1HB GLU 7 2.295 -3.849 3.100 44 HG2 GLU 7 2HG GLU 7 -0.442 -4.674 3.987 45 HG3 GLU 7 1HG GLU 7 0.706 -5.550 2.950 46 H THR 8 HN THR 8 3.738 -2.596 3.954 47 HA THR 8 HA THR 8 3.746 0.246 3.289 48 HB THR 8 HB THR 8 6.197 0.198 3.995 49 HG1 THR 8 1HG THR 8 5.499 -1.812 5.773 50 HG21 THR 8 1HG2 THR 8 5.635 0.635 6.338 51 HG22 THR 8 2HG2 THR 8 4.058 -0.127 6.108 52 HG23 THR 8 3HG2 THR 8 4.451 1.368 5.257 53 H CYS 9 HN CYS 9 4.498 0.801 1.442 54 HA CYS 9 HA CYS 9 5.449 -1.233 -0.364 55 HB2 CYS 9 2HB CYS 9 4.865 1.694 -0.765 56 HB3 CYS 9 1HB CYS 9 5.534 0.673 -2.026 57 H LEU 10 HN LEU 10 7.345 -1.588 0.972 58 HA LEU 10 HA LEU 10 9.421 0.395 0.850 59 HB2 LEU 10 2HB LEU 10 9.579 -2.550 1.516 60 HB3 LEU 10 1HB LEU 10 10.907 -1.423 1.686 61 HG LEU 10 HG LEU 10 8.341 -1.448 3.265 62 HD11 LEU 10 1HD1 LEU 10 11.203 -1.945 4.048 63 HD12 LEU 10 2HD1 LEU 10 9.928 -3.156 3.923 64 HD13 LEU 10 3HD1 LEU 10 9.832 -1.893 5.150 65 HD21 LEU 10 1HD2 LEU 10 10.657 0.489 3.394 66 HD22 LEU 10 2HD2 LEU 10 9.323 0.405 4.543 67 HD23 LEU 10 3HD2 LEU 10 9.012 0.863 2.871 68 H LEU 11 HN LEU 11 8.817 -2.701 -0.728 69 HA LEU 11 HA LEU 11 10.883 -2.211 -2.689 70 HB2 LEU 11 2HB LEU 11 8.911 -4.482 -2.373 71 HB3 LEU 11 1HB LEU 11 10.082 -4.396 -3.665 72 HG LEU 11 HG LEU 11 11.884 -4.424 -1.882 73 HD11 LEU 11 1HD1 LEU 11 10.559 -3.778 0.037 74 HD12 LEU 11 2HD1 LEU 11 11.323 -5.345 0.294 75 HD13 LEU 11 3HD1 LEU 11 9.605 -5.255 -0.100 76 HD21 LEU 11 1HD2 LEU 11 11.743 -6.842 -1.579 77 HD22 LEU 11 2HD2 LEU 11 11.362 -6.355 -3.230 78 HD23 LEU 11 3HD2 LEU 11 10.066 -6.804 -2.123 79 H GLY 12 HN GLY 12 8.173 -0.806 -2.338 80 HA2 GLY 12 2HA GLY 12 6.875 0.498 -3.742 81 HA3 GLY 12 1HA GLY 12 7.879 -0.063 -5.065 82 H LYS 13 HN LYS 13 6.252 -2.440 -3.119 83 HA LYS 13 HA LYS 13 4.150 -2.700 -5.112 84 HB2 LYS 13 2HB LYS 13 6.071 -4.128 -5.797 85 HB3 LYS 13 1HB LYS 13 6.016 -4.921 -4.236 86 HG2 LYS 13 2HG LYS 13 4.994 -6.332 -5.874 87 HG3 LYS 13 1HG LYS 13 3.739 -5.735 -4.784 88 HD2 LYS 13 2HD LYS 13 3.134 -4.035 -6.457 89 HD3 LYS 13 1HD LYS 13 4.385 -4.662 -7.527 90 HE2 LYS 13 2HE LYS 13 2.205 -5.526 -8.176 91 HE3 LYS 13 1HE LYS 13 3.241 -6.828 -7.603 92 HZ1 LYS 13 1HZ LYS 13 0.956 -6.964 -6.756 93 HZ2 LYS 13 2HZ LYS 13 1.128 -5.499 -5.982 94 HZ3 LYS 13 3HZ LYS 13 2.071 -6.828 -5.501 95 H CYS 14 HN CYS 14 2.257 -3.500 -4.199 96 HA CYS 14 HA CYS 14 2.237 -3.817 -1.328 97 HB2 CYS 14 2HB CYS 14 0.080 -3.460 -3.381 98 HB3 CYS 14 1HB CYS 14 -0.291 -4.053 -1.773 99 H TYR 15 HN TYR 15 1.892 -5.625 -0.279 100 HA TYR 15 HA TYR 15 1.993 -8.171 -1.499 101 HB2 TYR 15 2HB TYR 15 1.068 -7.371 1.270 102 HB3 TYR 15 1HB TYR 15 1.403 -9.013 0.753 103 HD1 TYR 15 1HD TYR 15 3.720 -9.684 0.265 104 HD2 TYR 15 2HD TYR 15 2.822 -5.886 1.940 105 HE1 TYR 15 1HE TYR 15 6.021 -9.484 0.994 106 HE2 TYR 15 2HE TYR 15 5.140 -5.653 2.669 107 HH TYR 15 HH TYR 15 6.977 -7.278 3.273 108 H THR 16 HN THR 16 -0.571 -6.101 -0.308 109 HA THR 16 HA THR 16 -2.639 -8.034 -0.637 110 HB THR 16 HB THR 16 -2.866 -5.056 -0.140 111 HG1 THR 16 1HG THR 16 -2.028 -7.198 1.429 112 HG21 THR 16 1HG2 THR 16 -4.943 -5.711 1.010 113 HG22 THR 16 2HG2 THR 16 -4.631 -7.403 0.623 114 HG23 THR 16 3HG2 THR 16 -4.971 -6.252 -0.669 115 HA PRO 17 HA PRO 17 -3.103 -6.976 -5.048 116 HB2 PRO 17 2HB PRO 17 -5.493 -8.666 -4.785 117 HB3 PRO 17 1HB PRO 17 -4.115 -8.849 -5.871 118 HG2 PRO 17 2HG PRO 17 -4.468 -10.509 -3.813 119 HG3 PRO 17 1HG PRO 17 -2.847 -9.959 -4.272 120 HD2 PRO 17 2HD PRO 17 -4.601 -9.007 -2.038 121 HD3 PRO 17 1HD PRO 17 -2.854 -9.353 -2.057 122 H GLY 18 HN GLY 18 -4.170 -5.308 -5.916 123 HA2 GLY 18 2HA GLY 18 -6.007 -4.025 -6.505 124 HA3 GLY 18 1HA GLY 18 -6.953 -4.874 -5.291 125 H CYS 19 HN CYS 19 -4.241 -3.991 -3.773 126 HA CYS 19 HA CYS 19 -5.506 -1.657 -2.611 127 HB2 CYS 19 2HB CYS 19 -4.500 -3.620 -1.285 128 HB3 CYS 19 1HB CYS 19 -2.929 -3.027 -1.797 129 H SER 20 HN SER 20 -4.501 0.422 -2.769 130 HA SER 20 HA SER 20 -2.850 0.658 -5.094 131 HB2 SER 20 2HB SER 20 -4.080 2.775 -3.325 132 HB3 SER 20 1HB SER 20 -3.260 3.072 -4.860 133 HG SER 20 HG SER 20 -5.372 1.234 -4.719 134 H CYS 21 HN CYS 21 -0.785 0.832 -5.087 135 HA CYS 21 HA CYS 21 0.595 1.087 -2.561 136 HB2 CYS 21 2HB CYS 21 1.256 -0.735 -4.044 137 HB3 CYS 21 1HB CYS 21 1.605 0.415 -5.328 138 H ARG 22 HN ARG 22 0.847 3.103 -1.938 139 HA ARG 22 HA ARG 22 2.098 4.937 -3.824 140 HB2 ARG 22 2HB ARG 22 -0.245 5.658 -3.372 141 HB3 ARG 22 1HB ARG 22 0.101 5.660 -1.650 142 HG2 ARG 22 2HG ARG 22 0.115 7.917 -2.537 143 HG3 ARG 22 1HG ARG 22 1.722 7.461 -1.973 144 HD2 ARG 22 2HD ARG 22 1.834 8.659 -4.104 145 HD3 ARG 22 1HD ARG 22 2.410 7.005 -4.279 146 HE ARG 22 HE ARG 22 -0.333 7.138 -4.883 147 HH11 ARG 22 1HH1 ARG 22 2.793 8.110 -6.304 148 HH12 ARG 22 2HH1 ARG 22 2.207 8.019 -7.904 149 HH21 ARG 22 1HH2 ARG 22 -1.060 7.024 -7.090 150 HH22 ARG 22 2HH2 ARG 22 0.024 7.399 -8.363 151 H ARG 23 HN ARG 23 4.063 4.469 -3.166 152 HA ARG 23 HA ARG 23 4.792 3.655 -0.674 153 HB2 ARG 23 2HB ARG 23 7.145 4.124 -1.293 154 HB3 ARG 23 1HB ARG 23 6.253 3.195 -2.480 155 HG2 ARG 23 2HG ARG 23 5.990 5.264 -3.823 156 HG3 ARG 23 1HG ARG 23 6.975 6.108 -2.632 157 HD2 ARG 23 2HD ARG 23 8.831 4.633 -3.039 158 HD3 ARG 23 1HD ARG 23 7.862 3.668 -4.148 159 HE ARG 23 HE ARG 23 7.772 6.154 -5.198 160 HH11 ARG 23 1HH1 ARG 23 10.411 3.980 -4.270 161 HH12 ARG 23 2HH1 ARG 23 11.488 4.566 -5.451 162 HH21 ARG 23 1HH2 ARG 23 9.227 6.939 -6.792 163 HH22 ARG 23 2HH2 ARG 23 10.819 6.323 -6.904 164 HA PRO 24 HA PRO 24 6.222 3.427 0.633 165 HB2 PRO 24 2HB PRO 24 6.787 3.530 3.209 166 HB3 PRO 24 1HB PRO 24 7.811 4.331 2.010 167 HG2 PRO 24 2HG PRO 24 5.880 5.512 3.934 168 HG3 PRO 24 1HG PRO 24 7.373 6.196 3.270 169 HD2 PRO 24 2HD PRO 24 4.700 6.674 2.383 170 HD3 PRO 24 1HD PRO 24 6.203 7.253 1.640 171 H VAL 25 HN VAL 25 3.177 4.485 1.128 172 HA VAL 25 HA VAL 25 2.597 2.330 3.035 173 HB VAL 25 HB VAL 25 1.032 4.919 2.728 174 HG11 VAL 25 1HG1 VAL 25 -0.284 4.172 4.645 175 HG12 VAL 25 2HG1 VAL 25 0.605 2.649 4.675 176 HG13 VAL 25 3HG1 VAL 25 -0.432 3.037 3.303 177 HG21 VAL 25 1HG2 VAL 25 1.800 5.426 4.996 178 HG22 VAL 25 2HG2 VAL 25 3.158 5.246 3.881 179 HG23 VAL 25 3HG2 VAL 25 2.759 3.946 5.002 180 H CYS 26 HN CYS 26 0.957 0.954 2.626 181 HA CYS 26 HA CYS 26 -0.011 0.899 -0.115 182 HB2 CYS 26 2HB CYS 26 1.109 -1.048 1.041 183 HB3 CYS 26 1HB CYS 26 -0.282 -1.130 2.105 184 H TYR 27 HN TYR 27 -1.917 1.884 -0.489 185 HA TYR 27 HA TYR 27 -3.861 2.261 1.704 186 HB2 TYR 27 2HB TYR 27 -3.369 3.900 -0.783 187 HB3 TYR 27 1HB TYR 27 -4.669 4.175 0.355 188 HD1 TYR 27 1HD TYR 27 -4.206 5.168 2.527 189 HD2 TYR 27 2HD TYR 27 -1.106 4.547 -0.300 190 HE1 TYR 27 1HE TYR 27 -2.807 6.726 3.759 191 HE2 TYR 27 2HE TYR 27 0.334 6.103 0.917 192 HH TYR 27 HH TYR 27 -0.377 7.221 4.055 193 H LYS 28 HN LYS 28 -5.673 1.067 1.433 194 HA LYS 28 HA LYS 28 -6.363 0.179 -1.246 195 HB2 LYS 28 2HB LYS 28 -6.486 -1.465 0.609 196 HB3 LYS 28 1HB LYS 28 -7.748 -0.487 1.374 197 HG2 LYS 28 2HG LYS 28 -9.125 -0.806 -0.656 198 HG3 LYS 28 1HG LYS 28 -7.873 -1.864 -1.299 199 HD2 LYS 28 2HD LYS 28 -8.173 -3.349 0.646 200 HD3 LYS 28 1HD LYS 28 -9.474 -2.299 1.217 201 HE2 LYS 28 2HE LYS 28 -9.422 -3.803 -1.401 202 HE3 LYS 28 1HE LYS 28 -10.372 -4.221 0.023 203 HZ1 LYS 28 1HZ LYS 28 -11.604 -2.160 -0.233 204 HZ2 LYS 28 2HZ LYS 28 -11.675 -3.057 -1.651 205 HZ3 LYS 28 3HZ LYS 28 -10.669 -1.716 -1.564 206 H ASN 29 HN ASN 29 -7.464 1.492 -2.379 207 HA ASN 29 HA ASN 29 -8.965 2.985 -3.146 208 HB2 ASN 29 2HB ASN 29 -10.439 2.495 -0.530 209 HB3 ASN 29 1HB ASN 29 -11.094 3.369 -1.907 210 HD21 ASN 29 1HD2 ASN 29 -11.697 2.200 -3.745 211 HD22 ASN 29 2HD2 ASN 29 -11.943 0.488 -3.695 Start of MODEL 17 1 H1 GLY 1 HN GLY 1 -6.202 3.892 -1.447 2 HA2 GLY 1 2HA GLY 1 -5.197 5.900 -0.732 3 HA3 GLY 1 1HA GLY 1 -6.722 6.725 -1.039 4 H LEU 2 HN LEU 2 -7.431 3.939 0.596 5 HA LEU 2 HA LEU 2 -7.565 5.379 3.138 6 HB2 LEU 2 2HB LEU 2 -9.150 3.020 2.121 7 HB3 LEU 2 1HB LEU 2 -9.336 3.745 3.702 8 HG LEU 2 HG LEU 2 -9.948 5.080 1.067 9 HD11 LEU 2 1HD1 LEU 2 -11.759 4.022 3.232 10 HD12 LEU 2 2HD1 LEU 2 -11.529 3.313 1.634 11 HD13 LEU 2 3HD1 LEU 2 -12.275 4.902 1.794 12 HD21 LEU 2 1HD2 LEU 2 -9.195 6.690 2.719 13 HD22 LEU 2 2HD2 LEU 2 -10.305 6.018 3.908 14 HD23 LEU 2 3HD2 LEU 2 -10.936 6.839 2.481 15 HA PRO 3 HA PRO 3 -4.787 2.369 4.747 16 HB2 PRO 3 2HB PRO 3 -5.609 2.771 7.452 17 HB3 PRO 3 1HB PRO 3 -4.193 3.437 6.640 18 HG2 PRO 3 2HG PRO 3 -6.430 4.872 7.495 19 HG3 PRO 3 1HG PRO 3 -5.181 5.459 6.400 20 HD2 PRO 3 2HD PRO 3 -7.911 4.495 5.811 21 HD3 PRO 3 1HD PRO 3 -6.872 5.619 4.908 22 H ILE 4 HN ILE 4 -6.174 0.748 3.788 23 HA ILE 4 HA ILE 4 -7.964 -0.668 5.640 24 HB ILE 4 HB ILE 4 -7.465 -1.206 2.701 25 HG12 ILE 4 2HG1 ILE 4 -8.527 0.985 3.000 26 HG13 ILE 4 1HG1 ILE 4 -9.655 -0.150 2.276 27 HG21 ILE 4 1HG2 ILE 4 -9.517 -2.575 2.806 28 HG22 ILE 4 2HG2 ILE 4 -9.589 -2.288 4.543 29 HG23 ILE 4 3HG2 ILE 4 -8.237 -3.187 3.856 30 HD11 ILE 4 1HD1 ILE 4 -9.604 0.746 5.151 31 HD12 ILE 4 2HD1 ILE 4 -10.717 -0.445 4.478 32 HD13 ILE 4 3HD1 ILE 4 -10.765 1.226 3.912 33 H CYS 5 HN CYS 5 -5.070 -1.061 3.725 34 HA CYS 5 HA CYS 5 -4.705 -3.790 4.497 35 HB2 CYS 5 2HB CYS 5 -2.793 -1.967 2.954 36 HB3 CYS 5 1HB CYS 5 -2.758 -3.715 3.069 37 H GLY 6 HN GLY 6 -3.328 -0.638 5.285 38 HA2 GLY 6 2HA GLY 6 -2.055 0.059 7.082 39 HA3 GLY 6 1HA GLY 6 -2.483 -1.457 7.866 40 H GLU 7 HN GLU 7 -0.934 -1.251 4.793 41 HA GLU 7 HA GLU 7 1.427 -2.549 5.940 42 HB2 GLU 7 2HB GLU 7 -0.030 -3.130 3.386 43 HB3 GLU 7 1HB GLU 7 1.630 -3.637 3.655 44 HG2 GLU 7 2HG GLU 7 -0.719 -4.388 5.357 45 HG3 GLU 7 1HG GLU 7 0.038 -5.399 4.110 46 H THR 8 HN THR 8 3.243 -2.484 4.419 47 HA THR 8 HA THR 8 3.429 0.159 3.198 48 HB THR 8 HB THR 8 5.955 -0.128 3.670 49 HG1 THR 8 1HG THR 8 5.139 -2.409 4.685 50 HG21 THR 8 1HG2 THR 8 5.730 0.838 5.912 51 HG22 THR 8 2HG2 THR 8 4.028 0.354 5.943 52 HG23 THR 8 3HG2 THR 8 4.592 1.548 4.768 53 H CYS 9 HN CYS 9 4.927 0.319 1.408 54 HA CYS 9 HA CYS 9 5.310 -2.189 -0.014 55 HB2 CYS 9 2HB CYS 9 4.537 -1.020 -2.106 56 HB3 CYS 9 1HB CYS 9 3.267 -1.328 -0.927 57 H LEU 10 HN LEU 10 7.428 -1.843 0.804 58 HA LEU 10 HA LEU 10 8.994 0.425 0.239 59 HB2 LEU 10 2HB LEU 10 9.754 -2.385 0.996 60 HB3 LEU 10 1HB LEU 10 10.940 -1.137 0.731 61 HG LEU 10 HG LEU 10 10.019 0.145 2.640 62 HD11 LEU 10 1HD1 LEU 10 8.423 -0.840 4.159 63 HD12 LEU 10 2HD1 LEU 10 8.243 -2.235 3.099 64 HD13 LEU 10 3HD1 LEU 10 7.706 -0.643 2.558 65 HD21 LEU 10 1HD2 LEU 10 11.846 -1.370 2.985 66 HD22 LEU 10 2HD2 LEU 10 10.723 -2.705 3.223 67 HD23 LEU 10 3HD2 LEU 10 10.775 -1.382 4.389 68 H LEU 11 HN LEU 11 8.252 -2.362 -1.630 69 HA LEU 11 HA LEU 11 10.401 -1.752 -3.531 70 HB2 LEU 11 2HB LEU 11 8.531 -4.114 -3.412 71 HB3 LEU 11 1HB LEU 11 9.852 -3.919 -4.550 72 HG LEU 11 HG LEU 11 10.128 -4.202 -1.557 73 HD11 LEU 11 1HD1 LEU 11 10.814 -6.093 -3.787 74 HD12 LEU 11 2HD1 LEU 11 9.497 -6.274 -2.623 75 HD13 LEU 11 3HD1 LEU 11 11.172 -6.333 -2.079 76 HD21 LEU 11 1HD2 LEU 11 12.240 -3.959 -3.697 77 HD22 LEU 11 2HD2 LEU 11 12.530 -4.337 -2.001 78 HD23 LEU 11 3HD2 LEU 11 11.876 -2.765 -2.447 79 H GLY 12 HN GLY 12 7.637 -0.444 -3.075 80 HA2 GLY 12 2HA GLY 12 6.453 0.948 -4.508 81 HA3 GLY 12 1HA GLY 12 7.250 0.170 -5.867 82 H LYS 13 HN LYS 13 6.188 -2.308 -4.163 83 HA LYS 13 HA LYS 13 3.525 -2.264 -5.346 84 HB2 LYS 13 2HB LYS 13 5.071 -3.551 -6.785 85 HB3 LYS 13 1HB LYS 13 5.493 -4.548 -5.402 86 HG2 LYS 13 2HG LYS 13 3.175 -5.308 -5.251 87 HG3 LYS 13 1HG LYS 13 2.784 -4.343 -6.674 88 HD2 LYS 13 2HD LYS 13 4.311 -5.628 -8.008 89 HD3 LYS 13 1HD LYS 13 4.827 -6.550 -6.598 90 HE2 LYS 13 2HE LYS 13 2.043 -6.490 -7.754 91 HE3 LYS 13 1HE LYS 13 3.208 -7.798 -7.935 92 HZ1 LYS 13 1HZ LYS 13 3.140 -8.123 -5.522 93 HZ2 LYS 13 2HZ LYS 13 1.624 -8.300 -6.217 94 HZ3 LYS 13 3HZ LYS 13 1.980 -6.906 -5.359 95 H CYS 14 HN CYS 14 2.003 -3.258 -4.123 96 HA CYS 14 HA CYS 14 2.728 -3.908 -1.411 97 HB2 CYS 14 2HB CYS 14 0.037 -3.714 -2.762 98 HB3 CYS 14 1HB CYS 14 0.318 -3.898 -1.036 99 H TYR 15 HN TYR 15 1.964 -5.864 -0.464 100 HA TYR 15 HA TYR 15 2.009 -8.066 -2.355 101 HB2 TYR 15 2HB TYR 15 2.378 -7.989 0.641 102 HB3 TYR 15 1HB TYR 15 2.355 -9.484 -0.296 103 HD1 TYR 15 1HD TYR 15 4.159 -6.255 0.094 104 HD2 TYR 15 2HD TYR 15 4.303 -10.233 -1.392 105 HE1 TYR 15 1HE TYR 15 6.525 -5.964 -0.410 106 HE2 TYR 15 2HE TYR 15 6.686 -9.959 -1.898 107 HH TYR 15 HH TYR 15 8.499 -7.326 -0.731 108 H THR 16 HN THR 16 -0.119 -6.351 -0.313 109 HA THR 16 HA THR 16 -2.156 -8.344 -0.285 110 HB THR 16 HB THR 16 -2.295 -5.354 0.231 111 HG1 THR 16 1HG THR 16 -2.370 -6.413 2.506 112 HG21 THR 16 1HG2 THR 16 -4.151 -7.603 1.061 113 HG22 THR 16 2HG2 THR 16 -4.499 -6.390 -0.168 114 HG23 THR 16 3HG2 THR 16 -4.327 -5.909 1.520 115 HA PRO 17 HA PRO 17 -3.138 -7.303 -4.584 116 HB2 PRO 17 2HB PRO 17 -5.421 -9.103 -4.285 117 HB3 PRO 17 1HB PRO 17 -4.010 -9.270 -5.329 118 HG2 PRO 17 2HG PRO 17 -4.440 -10.841 -3.172 119 HG3 PRO 17 1HG PRO 17 -2.819 -10.427 -3.753 120 HD2 PRO 17 2HD PRO 17 -4.341 -9.317 -1.431 121 HD3 PRO 17 1HD PRO 17 -2.609 -9.678 -1.612 122 H GLY 18 HN GLY 18 -4.242 -5.589 -5.195 123 HA2 GLY 18 2HA GLY 18 -6.200 -4.366 -5.608 124 HA3 GLY 18 1HA GLY 18 -6.998 -5.247 -4.309 125 H CYS 19 HN CYS 19 -3.860 -3.798 -3.947 126 HA CYS 19 HA CYS 19 -5.022 -1.598 -2.425 127 HB2 CYS 19 2HB CYS 19 -4.241 -3.735 -1.076 128 HB3 CYS 19 1HB CYS 19 -2.629 -3.151 -1.436 129 H SER 20 HN SER 20 -3.875 0.336 -2.899 130 HA SER 20 HA SER 20 -1.866 0.017 -4.962 131 HB2 SER 20 2HB SER 20 -3.484 2.411 -4.106 132 HB3 SER 20 1HB SER 20 -2.278 2.417 -5.395 133 HG SER 20 HG SER 20 -3.544 0.644 -6.300 134 H CYS 21 HN CYS 21 0.103 0.929 -4.877 135 HA CYS 21 HA CYS 21 1.140 1.329 -2.247 136 HB2 CYS 21 2HB CYS 21 2.371 -0.038 -3.852 137 HB3 CYS 21 1HB CYS 21 2.497 1.340 -4.941 138 H ARG 22 HN ARG 22 1.379 3.195 -1.343 139 HA ARG 22 HA ARG 22 1.660 5.617 -2.957 140 HB2 ARG 22 2HB ARG 22 0.526 5.308 -0.175 141 HB3 ARG 22 1HB ARG 22 0.624 6.802 -1.081 142 HG2 ARG 22 2HG ARG 22 -1.123 4.443 -1.788 143 HG3 ARG 22 1HG ARG 22 -1.665 5.943 -1.032 144 HD2 ARG 22 2HD ARG 22 -0.453 5.642 -3.772 145 HD3 ARG 22 1HD ARG 22 -2.141 5.991 -3.389 146 HE ARG 22 HE ARG 22 -0.460 7.894 -2.191 147 HH11 ARG 22 1HH1 ARG 22 -1.825 7.044 -5.354 148 HH12 ARG 22 2HH1 ARG 22 -1.657 8.615 -5.977 149 HH21 ARG 22 1HH2 ARG 22 -0.205 9.962 -3.019 150 HH22 ARG 22 2HH2 ARG 22 -0.702 10.352 -4.599 151 H ARG 23 HN ARG 23 3.842 4.668 -2.854 152 HA ARG 23 HA ARG 23 5.130 3.719 -0.714 153 HB2 ARG 23 2HB ARG 23 7.291 4.259 -1.788 154 HB3 ARG 23 1HB ARG 23 6.127 3.463 -2.831 155 HG2 ARG 23 2HG ARG 23 5.639 5.599 -3.897 156 HG3 ARG 23 1HG ARG 23 6.818 6.384 -2.834 157 HD2 ARG 23 2HD ARG 23 8.591 4.984 -3.732 158 HD3 ARG 23 1HD ARG 23 7.429 4.137 -4.748 159 HE ARG 23 HE ARG 23 7.190 6.790 -5.379 160 HH11 ARG 23 1HH1 ARG 23 9.830 4.425 -5.448 161 HH12 ARG 23 2HH1 ARG 23 10.578 5.089 -6.824 162 HH21 ARG 23 1HH2 ARG 23 8.224 7.683 -7.295 163 HH22 ARG 23 2HH2 ARG 23 9.637 6.968 -7.905 164 HA PRO 24 HA PRO 24 6.722 3.304 0.381 165 HB2 PRO 24 2HB PRO 24 7.397 3.068 2.911 166 HB3 PRO 24 1HB PRO 24 8.381 4.039 1.808 167 HG2 PRO 24 2HG PRO 24 6.365 4.941 3.829 168 HG3 PRO 24 1HG PRO 24 7.960 5.621 3.470 169 HD2 PRO 24 2HD PRO 24 5.544 6.584 2.467 170 HD3 PRO 24 1HD PRO 24 7.135 6.903 1.754 171 H VAL 25 HN VAL 25 3.820 4.578 1.439 172 HA VAL 25 HA VAL 25 3.178 2.259 3.150 173 HB VAL 25 HB VAL 25 1.598 4.831 2.946 174 HG11 VAL 25 1HG1 VAL 25 0.349 2.953 3.853 175 HG12 VAL 25 2HG1 VAL 25 0.655 4.151 5.108 176 HG13 VAL 25 3HG1 VAL 25 1.611 2.670 5.053 177 HG21 VAL 25 1HG2 VAL 25 3.846 5.370 3.710 178 HG22 VAL 25 2HG2 VAL 25 3.726 4.144 4.972 179 HG23 VAL 25 3HG2 VAL 25 2.681 5.565 5.017 180 H CYS 26 HN CYS 26 1.179 1.071 2.726 181 HA CYS 26 HA CYS 26 0.399 1.344 -0.063 182 HB2 CYS 26 2HB CYS 26 1.250 -0.866 0.936 183 HB3 CYS 26 1HB CYS 26 -0.223 -0.867 1.876 184 H TYR 27 HN TYR 27 -1.717 1.840 -0.562 185 HA TYR 27 HA TYR 27 -3.642 2.026 1.610 186 HB2 TYR 27 2HB TYR 27 -2.907 4.268 -0.258 187 HB3 TYR 27 1HB TYR 27 -4.476 4.189 0.524 188 HD1 TYR 27 1HD TYR 27 -4.586 4.245 3.011 189 HD2 TYR 27 2HD TYR 27 -1.013 5.082 0.911 190 HE1 TYR 27 1HE TYR 27 -3.718 5.347 4.982 191 HE2 TYR 27 2HE TYR 27 -0.095 6.198 2.894 192 HH TYR 27 HH TYR 27 -1.100 7.358 4.966 193 H LYS 28 HN LYS 28 -5.537 1.286 1.106 194 HA LYS 28 HA LYS 28 -6.000 0.397 -1.629 195 HB2 LYS 28 2HB LYS 28 -6.335 -1.198 0.234 196 HB3 LYS 28 1HB LYS 28 -7.534 -0.109 0.925 197 HG2 LYS 28 2HG LYS 28 -8.927 -0.415 -1.070 198 HG3 LYS 28 1HG LYS 28 -7.727 -1.536 -1.712 199 HD2 LYS 28 2HD LYS 28 -8.038 -2.972 0.257 200 HD3 LYS 28 1HD LYS 28 -9.273 -1.858 0.849 201 HE2 LYS 28 2HE LYS 28 -10.293 -3.760 -0.247 202 HE3 LYS 28 1HE LYS 28 -10.606 -2.281 -1.153 203 HZ1 LYS 28 1HZ LYS 28 -8.870 -2.886 -2.700 204 HZ2 LYS 28 2HZ LYS 28 -9.971 -4.163 -2.572 205 HZ3 LYS 28 3HZ LYS 28 -8.488 -4.243 -1.791 206 H ASN 29 HN ASN 29 -6.900 1.890 -2.851 207 HA ASN 29 HA ASN 29 -8.240 3.543 -3.636 208 HB2 ASN 29 2HB ASN 29 -9.936 2.757 -1.257 209 HB3 ASN 29 1HB ASN 29 -10.419 4.013 -2.390 210 HD21 ASN 29 1HD2 ASN 29 -11.119 3.448 -4.378 211 HD22 ASN 29 2HD2 ASN 29 -11.440 1.816 -4.833 Start of MODEL 18 1 H1 GLY 1 HN GLY 1 -8.291 4.047 -0.464 2 HA2 GLY 1 2HA GLY 1 -6.877 6.269 -1.506 3 HA3 GLY 1 1HA GLY 1 -8.455 6.784 -0.918 4 H LEU 2 HN LEU 2 -8.626 4.852 1.161 5 HA LEU 2 HA LEU 2 -6.984 6.204 3.131 6 HB2 LEU 2 2HB LEU 2 -9.208 4.196 3.370 7 HB3 LEU 2 1HB LEU 2 -8.364 4.893 4.734 8 HG LEU 2 HG LEU 2 -10.017 6.435 2.742 9 HD11 LEU 2 1HD1 LEU 2 -11.589 6.662 4.595 10 HD12 LEU 2 2HD1 LEU 2 -10.562 5.625 5.587 11 HD13 LEU 2 3HD1 LEU 2 -11.355 4.970 4.154 12 HD21 LEU 2 1HD2 LEU 2 -8.206 7.757 3.679 13 HD22 LEU 2 2HD2 LEU 2 -8.677 7.267 5.305 14 HD23 LEU 2 3HD2 LEU 2 -9.758 8.267 4.337 15 HA PRO 3 HA PRO 3 -4.303 2.712 3.667 16 HB2 PRO 3 2HB PRO 3 -3.537 3.137 6.281 17 HB3 PRO 3 1HB PRO 3 -2.823 3.981 4.909 18 HG2 PRO 3 2HG PRO 3 -4.772 4.950 6.909 19 HG3 PRO 3 1HG PRO 3 -3.581 5.853 5.969 20 HD2 PRO 3 2HD PRO 3 -6.324 5.743 5.457 21 HD3 PRO 3 1HD PRO 3 -5.079 6.295 4.325 22 H ILE 4 HN ILE 4 -5.846 1.179 3.534 23 HA ILE 4 HA ILE 4 -7.217 0.357 6.001 24 HB ILE 4 HB ILE 4 -7.705 -0.459 3.122 25 HG12 ILE 4 2HG1 ILE 4 -8.370 1.854 3.499 26 HG13 ILE 4 1HG1 ILE 4 -9.796 0.848 3.294 27 HG21 ILE 4 1HG2 ILE 4 -9.765 -1.519 3.908 28 HG22 ILE 4 2HG2 ILE 4 -9.301 -1.166 5.575 29 HG23 ILE 4 3HG2 ILE 4 -8.323 -2.265 4.600 30 HD11 ILE 4 1HD1 ILE 4 -10.131 2.482 5.051 31 HD12 ILE 4 2HD1 ILE 4 -8.712 1.893 5.907 32 HD13 ILE 4 3HD1 ILE 4 -10.128 0.854 5.730 33 H CYS 5 HN CYS 5 -4.954 -0.622 3.568 34 HA CYS 5 HA CYS 5 -4.875 -3.369 4.230 35 HB2 CYS 5 2HB CYS 5 -2.743 -1.754 2.842 36 HB3 CYS 5 1HB CYS 5 -3.084 -3.478 2.663 37 H GLY 6 HN GLY 6 -2.818 -0.559 5.049 38 HA2 GLY 6 2HA GLY 6 -1.621 -0.209 6.996 39 HA3 GLY 6 1HA GLY 6 -1.999 -1.850 7.506 40 H GLU 7 HN GLU 7 -1.075 -2.707 4.810 41 HA GLU 7 HA GLU 7 1.525 -3.415 5.516 42 HB2 GLU 7 2HB GLU 7 0.037 -3.661 2.933 43 HB3 GLU 7 1HB GLU 7 1.647 -4.319 3.194 44 HG2 GLU 7 2HG GLU 7 -0.737 -4.975 4.864 45 HG3 GLU 7 1HG GLU 7 -0.180 -5.925 3.470 46 H THR 8 HN THR 8 3.284 -3.181 4.006 47 HA THR 8 HA THR 8 3.448 -0.412 3.112 48 HB THR 8 HB THR 8 5.914 -0.512 3.737 49 HG1 THR 8 1HG THR 8 4.980 -2.790 5.168 50 HG21 THR 8 1HG2 THR 8 4.288 0.752 5.065 51 HG22 THR 8 2HG2 THR 8 5.487 0.002 6.116 52 HG23 THR 8 3HG2 THR 8 3.877 -0.705 5.967 53 H CYS 9 HN CYS 9 4.655 0.010 1.298 54 HA CYS 9 HA CYS 9 5.263 -2.367 -0.303 55 HB2 CYS 9 2HB CYS 9 4.450 -1.134 -2.262 56 HB3 CYS 9 1HB CYS 9 3.192 -1.311 -1.051 57 H LEU 10 HN LEU 10 7.198 -1.527 1.150 58 HA LEU 10 HA LEU 10 8.682 0.729 0.543 59 HB2 LEU 10 2HB LEU 10 8.978 -0.694 2.523 60 HB3 LEU 10 1HB LEU 10 9.686 -1.938 1.522 61 HG LEU 10 HG LEU 10 11.555 -0.383 0.986 62 HD11 LEU 10 1HD1 LEU 10 11.860 1.605 2.377 63 HD12 LEU 10 2HD1 LEU 10 10.250 1.370 3.058 64 HD13 LEU 10 3HD1 LEU 10 10.440 1.733 1.343 65 HD21 LEU 10 1HD2 LEU 10 11.086 -0.917 3.916 66 HD22 LEU 10 2HD2 LEU 10 12.646 -0.567 3.169 67 HD23 LEU 10 3HD2 LEU 10 11.779 -2.045 2.752 68 H LEU 11 HN LEU 11 8.513 -2.241 -1.252 69 HA LEU 11 HA LEU 11 10.903 -1.561 -2.768 70 HB2 LEU 11 2HB LEU 11 9.123 -3.988 -2.901 71 HB3 LEU 11 1HB LEU 11 10.489 -3.723 -3.957 72 HG LEU 11 HG LEU 11 11.904 -3.649 -1.832 73 HD11 LEU 11 1HD1 LEU 11 10.168 -3.379 -0.191 74 HD12 LEU 11 2HD1 LEU 11 11.055 -4.879 0.092 75 HD13 LEU 11 3HD1 LEU 11 9.456 -4.926 -0.650 76 HD21 LEU 11 1HD2 LEU 11 10.558 -6.209 -2.653 77 HD22 LEU 11 2HD2 LEU 11 12.072 -6.084 -1.757 78 HD23 LEU 11 3HD2 LEU 11 11.974 -5.477 -3.409 79 H GLY 12 HN GLY 12 8.015 -0.310 -2.899 80 HA2 GLY 12 2HA GLY 12 7.128 1.002 -4.583 81 HA3 GLY 12 1HA GLY 12 8.195 0.216 -5.739 82 H LYS 13 HN LYS 13 6.793 -2.119 -3.993 83 HA LYS 13 HA LYS 13 4.478 -2.473 -5.761 84 HB2 LYS 13 2HB LYS 13 6.358 -3.851 -6.595 85 HB3 LYS 13 1HB LYS 13 6.574 -4.526 -4.991 86 HG2 LYS 13 2HG LYS 13 5.470 -6.146 -6.387 87 HG3 LYS 13 1HG LYS 13 4.333 -5.572 -5.170 88 HD2 LYS 13 2HD LYS 13 3.326 -4.065 -6.817 89 HD3 LYS 13 1HD LYS 13 4.481 -4.619 -8.026 90 HE2 LYS 13 2HE LYS 13 2.349 -5.735 -8.341 91 HE3 LYS 13 1HE LYS 13 3.574 -6.895 -7.846 92 HZ1 LYS 13 1HZ LYS 13 1.568 -5.668 -6.044 93 HZ2 LYS 13 2HZ LYS 13 2.676 -6.849 -5.603 94 HZ3 LYS 13 3HZ LYS 13 1.453 -7.206 -6.702 95 H CYS 14 HN CYS 14 2.704 -3.271 -4.625 96 HA CYS 14 HA CYS 14 3.089 -3.534 -1.753 97 HB2 CYS 14 2HB CYS 14 1.316 -1.984 -2.615 98 HB3 CYS 14 1HB CYS 14 0.506 -3.365 -3.339 99 H TYR 15 HN TYR 15 2.021 -5.368 -0.659 100 HA TYR 15 HA TYR 15 2.117 -7.714 -2.413 101 HB2 TYR 15 2HB TYR 15 2.831 -7.546 0.517 102 HB3 TYR 15 1HB TYR 15 2.934 -8.992 -0.491 103 HD1 TYR 15 1HD TYR 15 4.325 -8.670 -2.702 104 HD2 TYR 15 2HD TYR 15 4.751 -6.288 0.779 105 HE1 TYR 15 1HE TYR 15 6.569 -8.006 -3.445 106 HE2 TYR 15 2HE TYR 15 7.000 -5.612 0.053 107 HH TYR 15 HH TYR 15 8.766 -6.609 -1.435 108 H THR 16 HN THR 16 -0.102 -5.892 -1.275 109 HA THR 16 HA THR 16 -1.799 -8.147 -0.515 110 HB THR 16 HB THR 16 -2.303 -5.254 0.230 111 HG1 THR 16 1HG THR 16 -1.127 -7.336 1.794 112 HG21 THR 16 1HG2 THR 16 -4.250 -6.769 0.270 113 HG22 THR 16 2HG2 THR 16 -3.801 -6.261 1.897 114 HG23 THR 16 3HG2 THR 16 -3.367 -7.872 1.327 115 HA PRO 17 HA PRO 17 -3.725 -7.288 -4.523 116 HB2 PRO 17 2HB PRO 17 -5.785 -9.008 -3.219 117 HB3 PRO 17 1HB PRO 17 -5.060 -9.165 -4.820 118 HG2 PRO 17 2HG PRO 17 -4.336 -10.800 -2.875 119 HG3 PRO 17 1HG PRO 17 -3.122 -10.140 -3.987 120 HD2 PRO 17 2HD PRO 17 -3.730 -9.353 -1.170 121 HD3 PRO 17 1HD PRO 17 -2.170 -9.483 -2.011 122 H GLY 18 HN GLY 18 -5.062 -5.642 -5.015 123 HA2 GLY 18 2HA GLY 18 -7.043 -4.401 -4.886 124 HA3 GLY 18 1HA GLY 18 -7.312 -5.037 -3.268 125 H CYS 19 HN CYS 19 -4.223 -4.239 -3.139 126 HA CYS 19 HA CYS 19 -4.872 -1.608 -2.071 127 HB2 CYS 19 2HB CYS 19 -2.489 -3.379 -1.530 128 HB3 CYS 19 1HB CYS 19 -2.842 -1.836 -0.752 129 H SER 20 HN SER 20 -3.569 0.144 -2.490 130 HA SER 20 HA SER 20 -2.078 0.007 -4.997 131 HB2 SER 20 2HB SER 20 -4.113 1.445 -4.934 132 HB3 SER 20 1HB SER 20 -3.399 2.356 -3.609 133 HG SER 20 HG SER 20 -3.106 3.336 -5.666 134 H CYS 21 HN CYS 21 0.009 0.802 -4.981 135 HA CYS 21 HA CYS 21 1.172 1.189 -2.374 136 HB2 CYS 21 2HB CYS 21 2.368 -0.274 -3.907 137 HB3 CYS 21 1HB CYS 21 2.460 1.017 -5.101 138 H ARG 22 HN ARG 22 1.275 3.086 -1.530 139 HA ARG 22 HA ARG 22 2.098 5.330 -3.196 140 HB2 ARG 22 2HB ARG 22 -0.283 5.636 -2.430 141 HB3 ARG 22 1HB ARG 22 0.259 5.416 -0.782 142 HG2 ARG 22 2HG ARG 22 -0.131 7.760 -1.221 143 HG3 ARG 22 1HG ARG 22 1.582 7.476 -0.936 144 HD2 ARG 22 2HD ARG 22 0.428 7.599 -3.716 145 HD3 ARG 22 1HD ARG 22 0.909 9.046 -2.849 146 HE ARG 22 HE ARG 22 3.166 7.988 -2.714 147 HH11 ARG 22 1HH1 ARG 22 1.004 7.016 -5.355 148 HH12 ARG 22 2HH1 ARG 22 2.242 6.892 -6.507 149 HH21 ARG 22 1HH2 ARG 22 4.884 7.809 -4.358 150 HH22 ARG 22 2HH2 ARG 22 4.468 7.303 -5.916 151 H ARG 23 HN ARG 23 4.107 4.766 -2.769 152 HA ARG 23 HA ARG 23 5.151 3.577 -0.679 153 HB2 ARG 23 2HB ARG 23 7.381 4.443 -1.292 154 HB3 ARG 23 1HB ARG 23 6.443 3.849 -2.649 155 HG2 ARG 23 2HG ARG 23 5.886 6.185 -3.231 156 HG3 ARG 23 1HG ARG 23 6.916 6.714 -1.894 157 HD2 ARG 23 2HD ARG 23 8.836 5.606 -2.919 158 HD3 ARG 23 1HD ARG 23 7.800 5.043 -4.230 159 HE ARG 23 HE ARG 23 7.748 7.873 -3.990 160 HH11 ARG 23 1HH1 ARG 23 9.668 5.172 -5.309 161 HH12 ARG 23 2HH1 ARG 23 10.445 6.144 -6.474 162 HH21 ARG 23 1HH2 ARG 23 8.805 9.147 -5.627 163 HH22 ARG 23 2HH2 ARG 23 9.968 8.429 -6.646 164 HA PRO 24 HA PRO 24 6.368 3.019 0.570 165 HB2 PRO 24 2HB PRO 24 7.021 2.485 3.074 166 HB3 PRO 24 1HB PRO 24 8.031 3.533 2.075 167 HG2 PRO 24 2HG PRO 24 6.185 4.244 4.293 168 HG3 PRO 24 1HG PRO 24 7.673 5.048 3.773 169 HD2 PRO 24 2HD PRO 24 4.985 5.774 3.119 170 HD3 PRO 24 1HD PRO 24 6.479 6.496 2.498 171 H VAL 25 HN VAL 25 3.394 4.004 1.387 172 HA VAL 25 HA VAL 25 2.736 1.665 3.055 173 HB VAL 25 HB VAL 25 1.295 4.339 3.003 174 HG11 VAL 25 1HG1 VAL 25 0.842 1.955 4.794 175 HG12 VAL 25 2HG1 VAL 25 -0.241 2.524 3.527 176 HG13 VAL 25 3HG1 VAL 25 0.051 3.524 4.951 177 HG21 VAL 25 1HG2 VAL 25 3.104 3.161 5.110 178 HG22 VAL 25 2HG2 VAL 25 2.183 4.655 5.273 179 HG23 VAL 25 3HG2 VAL 25 3.469 4.537 4.070 180 H CYS 26 HN CYS 26 0.959 0.420 2.579 181 HA CYS 26 HA CYS 26 -0.135 0.641 -0.090 182 HB2 CYS 26 2HB CYS 26 -0.412 -1.444 2.066 183 HB3 CYS 26 1HB CYS 26 -1.242 -1.529 0.521 184 H TYR 27 HN TYR 27 -1.852 1.791 -0.416 185 HA TYR 27 HA TYR 27 -3.855 2.178 1.709 186 HB2 TYR 27 2HB TYR 27 -3.281 3.736 -0.827 187 HB3 TYR 27 1HB TYR 27 -4.658 4.038 0.218 188 HD1 TYR 27 1HD TYR 27 -0.922 3.980 0.227 189 HD2 TYR 27 2HD TYR 27 -4.461 5.524 1.993 190 HE1 TYR 27 1HE TYR 27 0.420 5.534 1.539 191 HE2 TYR 27 2HE TYR 27 -3.123 7.080 3.324 192 HH TYR 27 HH TYR 27 0.122 7.686 2.697 193 H LYS 28 HN LYS 28 -6.120 2.030 1.022 194 HA LYS 28 HA LYS 28 -6.429 0.479 -1.417 195 HB2 LYS 28 2HB LYS 28 -6.542 -0.976 0.656 196 HB3 LYS 28 1HB LYS 28 -7.971 -0.052 1.125 197 HG2 LYS 28 2HG LYS 28 -9.140 -0.797 -0.839 198 HG3 LYS 28 1HG LYS 28 -7.694 -1.618 -1.426 199 HD2 LYS 28 2HD LYS 28 -7.748 -3.014 0.639 200 HD3 LYS 28 1HD LYS 28 -9.305 -2.285 1.028 201 HE2 LYS 28 2HE LYS 28 -10.215 -3.102 -1.095 202 HE3 LYS 28 1HE LYS 28 -8.660 -3.836 -1.473 203 HZ1 LYS 28 1HZ LYS 28 -8.913 -5.232 0.513 204 HZ2 LYS 28 2HZ LYS 28 -10.138 -5.479 -0.591 205 HZ3 LYS 28 3HZ LYS 28 -10.437 -4.571 0.787 206 H ASN 29 HN ASN 29 -7.656 1.518 -2.691 207 HA ASN 29 HA ASN 29 -9.178 2.861 -3.627 208 HB2 ASN 29 2HB ASN 29 -10.496 2.992 -0.891 209 HB3 ASN 29 1HB ASN 29 -11.188 3.656 -2.364 210 HD21 ASN 29 1HD2 ASN 29 -12.002 2.211 -3.932 211 HD22 ASN 29 2HD2 ASN 29 -12.355 0.574 -3.526 Start of MODEL 19 1 H1 GLY 1 HN GLY 1 -7.031 4.275 -1.904 2 HA2 GLY 1 2HA GLY 1 -6.105 6.404 -1.729 3 HA3 GLY 1 1HA GLY 1 -7.708 7.054 -1.432 4 H LEU 2 HN LEU 2 -7.201 4.365 0.524 5 HA LEU 2 HA LEU 2 -6.170 6.030 2.713 6 HB2 LEU 2 2HB LEU 2 -8.495 4.117 2.808 7 HB3 LEU 2 1HB LEU 2 -7.749 4.826 4.222 8 HG LEU 2 HG LEU 2 -9.217 6.327 2.054 9 HD11 LEU 2 1HD1 LEU 2 -9.954 5.677 4.901 10 HD12 LEU 2 2HD1 LEU 2 -10.687 4.989 3.452 11 HD13 LEU 2 3HD1 LEU 2 -10.882 6.704 3.811 12 HD21 LEU 2 1HD2 LEU 2 -8.998 8.252 3.582 13 HD22 LEU 2 2HD2 LEU 2 -7.440 7.685 2.998 14 HD23 LEU 2 3HD2 LEU 2 -7.964 7.282 4.632 15 HA PRO 3 HA PRO 3 -3.489 2.544 3.420 16 HB2 PRO 3 2HB PRO 3 -2.701 3.124 5.952 17 HB3 PRO 3 1HB PRO 3 -2.131 4.052 4.557 18 HG2 PRO 3 2HG PRO 3 -4.277 4.690 6.533 19 HG3 PRO 3 1HG PRO 3 -3.049 5.760 5.836 20 HD2 PRO 3 2HD PRO 3 -5.630 5.675 4.969 21 HD3 PRO 3 1HD PRO 3 -4.261 6.105 3.925 22 H ILE 4 HN ILE 4 -5.700 1.464 3.398 23 HA ILE 4 HA ILE 4 -6.925 0.652 5.865 24 HB ILE 4 HB ILE 4 -7.325 -0.325 3.036 25 HG12 ILE 4 2HG1 ILE 4 -7.877 2.040 3.272 26 HG13 ILE 4 1HG1 ILE 4 -9.333 1.090 3.014 27 HG21 ILE 4 1HG2 ILE 4 -9.051 -0.799 5.445 28 HG22 ILE 4 2HG2 ILE 4 -8.085 -2.001 4.583 29 HG23 ILE 4 3HG2 ILE 4 -9.458 -1.232 3.782 30 HD11 ILE 4 1HD1 ILE 4 -9.722 2.808 4.666 31 HD12 ILE 4 2HD1 ILE 4 -8.368 2.232 5.628 32 HD13 ILE 4 3HD1 ILE 4 -9.802 1.221 5.434 33 H CYS 5 HN CYS 5 -4.683 -0.804 3.591 34 HA CYS 5 HA CYS 5 -5.129 -3.477 4.378 35 HB2 CYS 5 2HB CYS 5 -2.820 -2.299 2.840 36 HB3 CYS 5 1HB CYS 5 -3.268 -4.005 2.902 37 H GLY 6 HN GLY 6 -2.957 -1.056 5.609 38 HA2 GLY 6 2HA GLY 6 -1.691 -1.088 7.536 39 HA3 GLY 6 1HA GLY 6 -2.243 -2.733 7.826 40 H GLU 7 HN GLU 7 -0.882 -2.062 4.790 41 HA GLU 7 HA GLU 7 1.508 -3.571 5.572 42 HB2 GLU 7 2HB GLU 7 0.003 -3.556 2.971 43 HB3 GLU 7 1HB GLU 7 1.634 -4.184 3.113 44 HG2 GLU 7 2HG GLU 7 -0.764 -5.181 4.616 45 HG3 GLU 7 1HG GLU 7 -0.031 -5.926 3.182 46 H THR 8 HN THR 8 3.295 -3.244 3.962 47 HA THR 8 HA THR 8 3.557 -0.382 3.402 48 HB THR 8 HB THR 8 6.011 -0.632 3.934 49 HG1 THR 8 1HG THR 8 5.078 -3.126 4.875 50 HG21 THR 8 1HG2 THR 8 4.502 0.521 5.452 51 HG22 THR 8 2HG2 THR 8 5.735 -0.375 6.341 52 HG23 THR 8 3HG2 THR 8 4.088 -1.014 6.229 53 H CYS 9 HN CYS 9 4.988 0.133 1.713 54 HA CYS 9 HA CYS 9 5.857 -2.088 0.105 55 HB2 CYS 9 2HB CYS 9 4.983 -0.950 -1.963 56 HB3 CYS 9 1HB CYS 9 3.747 -1.607 -0.899 57 H LEU 10 HN LEU 10 7.865 -1.537 0.906 58 HA LEU 10 HA LEU 10 9.012 1.038 0.604 59 HB2 LEU 10 2HB LEU 10 10.351 -1.625 1.032 60 HB3 LEU 10 1HB LEU 10 11.144 -0.071 1.175 61 HG LEU 10 HG LEU 10 8.888 -1.051 2.932 62 HD11 LEU 10 1HD1 LEU 10 10.964 -2.248 3.333 63 HD12 LEU 10 2HD1 LEU 10 10.580 -1.170 4.675 64 HD13 LEU 10 3HD1 LEU 10 11.819 -0.716 3.506 65 HD21 LEU 10 1HD2 LEU 10 8.838 1.373 2.688 66 HD22 LEU 10 2HD2 LEU 10 10.554 1.461 3.081 67 HD23 LEU 10 3HD2 LEU 10 9.398 0.926 4.299 68 H LEU 11 HN LEU 11 8.754 -1.634 -1.557 69 HA LEU 11 HA LEU 11 10.666 -0.368 -3.386 70 HB2 LEU 11 2HB LEU 11 9.488 -3.145 -3.407 71 HB3 LEU 11 1HB LEU 11 10.532 -2.508 -4.656 72 HG LEU 11 HG LEU 11 11.339 -2.897 -1.772 73 HD11 LEU 11 1HD1 LEU 11 10.974 -5.019 -2.903 74 HD12 LEU 11 2HD1 LEU 11 12.692 -4.740 -2.624 75 HD13 LEU 11 3HD1 LEU 11 12.009 -4.500 -4.232 76 HD21 LEU 11 1HD2 LEU 11 12.564 -1.084 -2.827 77 HD22 LEU 11 2HD2 LEU 11 12.926 -2.108 -4.213 78 HD23 LEU 11 3HD2 LEU 11 13.611 -2.491 -2.634 79 H GLY 12 HN GLY 12 7.582 -0.020 -2.760 80 HA2 GLY 12 2HA GLY 12 5.958 1.054 -4.040 81 HA3 GLY 12 1HA GLY 12 6.993 0.854 -5.445 82 H LYS 13 HN LYS 13 6.301 -1.950 -3.606 83 HA LYS 13 HA LYS 13 4.214 -2.781 -5.516 84 HB2 LYS 13 2HB LYS 13 6.414 -3.800 -6.063 85 HB3 LYS 13 1HB LYS 13 6.498 -4.458 -4.436 86 HG2 LYS 13 2HG LYS 13 4.413 -5.742 -4.930 87 HG3 LYS 13 1HG LYS 13 4.532 -5.185 -6.599 88 HD2 LYS 13 2HD LYS 13 6.604 -6.817 -5.121 89 HD3 LYS 13 1HD LYS 13 5.476 -7.436 -6.321 90 HE2 LYS 13 2HE LYS 13 6.520 -5.929 -8.006 91 HE3 LYS 13 1HE LYS 13 7.667 -5.410 -6.774 92 HZ1 LYS 13 1HZ LYS 13 8.572 -7.155 -8.224 93 HZ2 LYS 13 2HZ LYS 13 7.362 -8.203 -7.715 94 HZ3 LYS 13 3HZ LYS 13 8.499 -7.648 -6.616 95 H CYS 14 HN CYS 14 2.390 -3.251 -4.352 96 HA CYS 14 HA CYS 14 2.723 -3.699 -1.511 97 HB2 CYS 14 2HB CYS 14 0.994 -2.088 -2.336 98 HB3 CYS 14 1HB CYS 14 0.134 -3.449 -3.058 99 H TYR 15 HN TYR 15 1.975 -5.488 -0.418 100 HA TYR 15 HA TYR 15 2.142 -7.943 -1.928 101 HB2 TYR 15 2HB TYR 15 1.787 -7.525 1.041 102 HB3 TYR 15 1HB TYR 15 2.217 -9.031 0.240 103 HD1 TYR 15 1HD TYR 15 4.409 -8.995 -1.147 104 HD2 TYR 15 2HD TYR 15 3.464 -6.127 1.840 105 HE1 TYR 15 1HE TYR 15 6.786 -8.445 -0.934 106 HE2 TYR 15 2HE TYR 15 5.830 -5.557 2.058 107 HH TYR 15 HH TYR 15 8.131 -6.463 -0.179 108 H THR 16 HN THR 16 -0.311 -5.997 -0.461 109 HA THR 16 HA THR 16 -2.218 -8.150 -0.341 110 HB THR 16 HB THR 16 -2.606 -5.187 0.150 111 HG1 THR 16 1HG THR 16 -1.547 -7.280 1.689 112 HG21 THR 16 1HG2 THR 16 -4.534 -5.922 1.498 113 HG22 THR 16 2HG2 THR 16 -4.191 -7.599 1.080 114 HG23 THR 16 3HG2 THR 16 -4.697 -6.466 -0.172 115 HA PRO 17 HA PRO 17 -3.572 -7.227 -4.550 116 HB2 PRO 17 2HB PRO 17 -5.672 -8.959 -4.587 117 HB3 PRO 17 1HB PRO 17 -4.000 -9.491 -4.794 118 HG2 PRO 17 2HG PRO 17 -5.726 -9.576 -2.357 119 HG3 PRO 17 1HG PRO 17 -4.586 -10.789 -2.965 120 HD2 PRO 17 2HD PRO 17 -4.006 -9.094 -0.933 121 HD3 PRO 17 1HD PRO 17 -2.776 -9.730 -2.043 122 H GLY 18 HN GLY 18 -5.226 -5.995 -5.425 123 HA2 GLY 18 2HA GLY 18 -6.979 -4.504 -5.438 124 HA3 GLY 18 1HA GLY 18 -7.645 -5.376 -4.059 125 H CYS 19 HN CYS 19 -4.458 -4.061 -4.062 126 HA CYS 19 HA CYS 19 -5.205 -1.757 -2.473 127 HB2 CYS 19 2HB CYS 19 -4.816 -3.834 -0.995 128 HB3 CYS 19 1HB CYS 19 -3.154 -3.786 -1.551 129 H SER 20 HN SER 20 -3.827 -0.122 -3.032 130 HA SER 20 HA SER 20 -1.813 -0.775 -5.032 131 HB2 SER 20 2HB SER 20 -3.708 0.797 -5.611 132 HB3 SER 20 1HB SER 20 -3.104 1.886 -4.372 133 HG SER 20 HG SER 20 -1.783 1.045 -6.729 134 H CYS 21 HN CYS 21 0.015 0.921 -4.956 135 HA CYS 21 HA CYS 21 0.923 1.092 -2.190 136 HB2 CYS 21 2HB CYS 21 2.360 -0.325 -3.509 137 HB3 CYS 21 1HB CYS 21 2.494 0.908 -4.757 138 H ARG 22 HN ARG 22 1.290 2.990 -1.359 139 HA ARG 22 HA ARG 22 1.945 5.212 -3.076 140 HB2 ARG 22 2HB ARG 22 -0.446 5.464 -2.444 141 HB3 ARG 22 1HB ARG 22 -0.013 5.277 -0.757 142 HG2 ARG 22 2HG ARG 22 -0.461 7.592 -1.313 143 HG3 ARG 22 1HG ARG 22 1.217 7.370 -0.823 144 HD2 ARG 22 2HD ARG 22 1.954 7.460 -3.104 145 HD3 ARG 22 1HD ARG 22 0.292 7.469 -3.693 146 HE ARG 22 HE ARG 22 0.381 9.607 -2.083 147 HH11 ARG 22 1HH1 ARG 22 2.511 8.628 -4.736 148 HH12 ARG 22 2HH1 ARG 22 2.808 10.213 -5.262 149 HH21 ARG 22 1HH2 ARG 22 0.797 11.782 -2.810 150 HH22 ARG 22 2HH2 ARG 22 1.804 12.054 -4.151 151 H ARG 23 HN ARG 23 3.949 4.807 -2.595 152 HA ARG 23 HA ARG 23 5.094 3.676 -0.514 153 HB2 ARG 23 2HB ARG 23 7.222 4.683 -1.157 154 HB3 ARG 23 1HB ARG 23 6.288 4.146 -2.543 155 HG2 ARG 23 2HG ARG 23 5.584 6.490 -2.924 156 HG3 ARG 23 1HG ARG 23 6.619 6.977 -1.583 157 HD2 ARG 23 2HD ARG 23 8.538 5.981 -2.737 158 HD3 ARG 23 1HD ARG 23 7.491 5.591 -4.097 159 HE ARG 23 HE ARG 23 7.278 8.309 -3.557 160 HH11 ARG 23 1HH1 ARG 23 9.577 5.954 -4.839 161 HH12 ARG 23 2HH1 ARG 23 10.505 7.062 -5.729 162 HH21 ARG 23 1HH2 ARG 23 8.539 9.892 -4.804 163 HH22 ARG 23 2HH2 ARG 23 9.898 9.386 -5.700 164 HA PRO 24 HA PRO 24 6.397 3.239 0.743 165 HB2 PRO 24 2HB PRO 24 6.938 2.977 3.457 166 HB3 PRO 24 1HB PRO 24 8.059 3.574 2.234 167 HG2 PRO 24 2HG PRO 24 6.956 5.051 4.384 168 HG3 PRO 24 1HG PRO 24 7.897 5.688 3.028 169 HD2 PRO 24 2HD PRO 24 4.940 5.614 3.417 170 HD3 PRO 24 1HD PRO 24 5.942 6.828 2.590 171 H VAL 25 HN VAL 25 3.398 3.985 1.510 172 HA VAL 25 HA VAL 25 2.885 1.556 3.084 173 HB VAL 25 HB VAL 25 1.532 4.268 3.340 174 HG11 VAL 25 1HG1 VAL 25 0.820 1.703 4.749 175 HG12 VAL 25 2HG1 VAL 25 -0.168 2.534 3.547 176 HG13 VAL 25 3HG1 VAL 25 0.150 3.295 5.107 177 HG21 VAL 25 1HG2 VAL 25 2.325 4.182 5.646 178 HG22 VAL 25 2HG2 VAL 25 3.659 4.090 4.491 179 HG23 VAL 25 3HG2 VAL 25 3.104 2.635 5.317 180 H CYS 26 HN CYS 26 0.940 0.401 2.612 181 HA CYS 26 HA CYS 26 0.086 0.616 -0.131 182 HB2 CYS 26 2HB CYS 26 -0.758 -1.216 2.112 183 HB3 CYS 26 1HB CYS 26 -1.401 -1.310 0.480 184 H TYR 27 HN TYR 27 -1.877 1.273 -0.872 185 HA TYR 27 HA TYR 27 -3.757 2.364 1.073 186 HB2 TYR 27 2HB TYR 27 -2.642 3.741 -1.361 187 HB3 TYR 27 1HB TYR 27 -4.220 4.169 -0.719 188 HD1 TYR 27 1HD TYR 27 -0.745 3.648 0.580 189 HD2 TYR 27 2HD TYR 27 -4.268 6.005 0.672 190 HE1 TYR 27 1HE TYR 27 0.332 5.176 2.122 191 HE2 TYR 27 2HE TYR 27 -3.199 7.543 2.237 192 HH TYR 27 HH TYR 27 0.154 7.453 2.836 193 H LYS 28 HN LYS 28 -5.790 2.009 0.671 194 HA LYS 28 HA LYS 28 -6.558 0.714 -1.835 195 HB2 LYS 28 2HB LYS 28 -6.355 -0.916 0.043 196 HB3 LYS 28 1HB LYS 28 -7.467 0.067 0.982 197 HG2 LYS 28 2HG LYS 28 -9.227 -0.384 -0.668 198 HG3 LYS 28 1HG LYS 28 -8.097 -1.398 -1.571 199 HD2 LYS 28 2HD LYS 28 -7.839 -2.846 0.394 200 HD3 LYS 28 1HD LYS 28 -8.990 -1.845 1.278 201 HE2 LYS 28 2HE LYS 28 -10.103 -3.831 0.439 202 HE3 LYS 28 1HE LYS 28 -10.714 -2.409 -0.399 203 HZ1 LYS 28 1HZ LYS 28 -10.316 -4.237 -1.894 204 HZ2 LYS 28 2HZ LYS 28 -8.677 -4.274 -1.453 205 HZ3 LYS 28 3HZ LYS 28 -9.299 -2.940 -2.263 206 H ASN 29 HN ASN 29 -7.989 2.037 -2.778 207 HA ASN 29 HA ASN 29 -9.602 3.561 -3.155 208 HB2 ASN 29 2HB ASN 29 -10.496 2.808 -0.357 209 HB3 ASN 29 1HB ASN 29 -11.402 3.894 -1.403 210 HD21 ASN 29 1HD2 ASN 29 -12.432 3.058 -3.197 211 HD22 ASN 29 2HD2 ASN 29 -12.702 1.373 -3.423 Start of MODEL 20 1 H1 GLY 1 HN GLY 1 -6.526 3.640 -1.618 2 HA2 GLY 1 2HA GLY 1 -5.438 5.719 -1.363 3 HA3 GLY 1 1HA GLY 1 -7.009 6.505 -1.323 4 H LEU 2 HN LEU 2 -7.555 4.100 0.656 5 HA LEU 2 HA LEU 2 -6.768 5.675 2.991 6 HB2 LEU 2 2HB LEU 2 -8.929 3.608 2.630 7 HB3 LEU 2 1HB LEU 2 -8.464 4.223 4.194 8 HG LEU 2 HG LEU 2 -9.156 6.514 3.390 9 HD11 LEU 2 1HD1 LEU 2 -9.089 6.159 1.002 10 HD12 LEU 2 2HD1 LEU 2 -10.709 6.643 1.511 11 HD13 LEU 2 3HD1 LEU 2 -10.371 4.957 1.120 12 HD21 LEU 2 1HD2 LEU 2 -10.517 5.207 4.865 13 HD22 LEU 2 2HD2 LEU 2 -11.235 4.345 3.504 14 HD23 LEU 2 3HD2 LEU 2 -11.536 6.072 3.717 15 HA PRO 3 HA PRO 3 -3.966 2.464 4.135 16 HB2 PRO 3 2HB PRO 3 -3.669 3.024 6.784 17 HB3 PRO 3 1HB PRO 3 -2.940 4.016 5.516 18 HG2 PRO 3 2HG PRO 3 -5.424 4.501 7.108 19 HG3 PRO 3 1HG PRO 3 -4.189 5.654 6.577 20 HD2 PRO 3 2HD PRO 3 -6.619 5.330 5.327 21 HD3 PRO 3 1HD PRO 3 -5.153 5.923 4.523 22 H ILE 4 HN ILE 4 -5.449 0.772 3.781 23 HA ILE 4 HA ILE 4 -6.852 -0.251 6.193 24 HB ILE 4 HB ILE 4 -7.669 -0.669 3.302 25 HG12 ILE 4 2HG1 ILE 4 -7.971 1.692 3.874 26 HG13 ILE 4 1HG1 ILE 4 -9.523 0.889 3.686 27 HG21 ILE 4 1HG2 ILE 4 -9.783 -1.461 4.195 28 HG22 ILE 4 2HG2 ILE 4 -9.164 -1.263 5.836 29 HG23 ILE 4 3HG2 ILE 4 -8.424 -2.444 4.746 30 HD11 ILE 4 1HD1 ILE 4 -9.738 0.767 6.120 31 HD12 ILE 4 2HD1 ILE 4 -9.548 2.428 5.554 32 HD13 ILE 4 3HD1 ILE 4 -8.184 1.587 6.291 33 H CYS 5 HN CYS 5 -4.434 -0.809 3.924 34 HA CYS 5 HA CYS 5 -4.784 -3.653 3.630 35 HB2 CYS 5 2HB CYS 5 -2.390 -2.011 2.843 36 HB3 CYS 5 1HB CYS 5 -2.945 -3.531 2.147 37 H GLY 6 HN GLY 6 -2.741 -1.414 5.422 38 HA2 GLY 6 2HA GLY 6 -1.595 -1.799 7.393 39 HA3 GLY 6 1HA GLY 6 -2.068 -3.495 7.304 40 H GLU 7 HN GLU 7 -0.631 -1.854 4.643 41 HA GLU 7 HA GLU 7 1.845 -3.317 5.091 42 HB2 GLU 7 2HB GLU 7 0.155 -3.291 2.637 43 HB3 GLU 7 1HB GLU 7 1.898 -3.479 2.504 44 HG2 GLU 7 2HG GLU 7 0.040 -5.234 4.066 45 HG3 GLU 7 1HG GLU 7 0.795 -5.612 2.506 46 H THR 8 HN THR 8 3.596 -2.566 3.913 47 HA THR 8 HA THR 8 3.527 0.332 3.557 48 HB THR 8 HB THR 8 6.001 0.171 3.996 49 HG1 THR 8 1HG THR 8 5.577 -2.361 5.145 50 HG21 THR 8 1HG2 THR 8 4.208 -0.875 6.203 51 HG22 THR 8 2HG2 THR 8 4.456 0.823 5.801 52 HG23 THR 8 3HG2 THR 8 5.791 -0.136 6.437 53 H CYS 9 HN CYS 9 5.345 0.990 2.025 54 HA CYS 9 HA CYS 9 5.713 -0.942 -0.131 55 HB2 CYS 9 2HB CYS 9 5.065 1.975 -0.312 56 HB3 CYS 9 1HB CYS 9 5.827 1.118 -1.642 57 H LEU 10 HN LEU 10 7.587 -1.269 1.331 58 HA LEU 10 HA LEU 10 9.662 0.733 1.140 59 HB2 LEU 10 2HB LEU 10 9.766 -2.101 2.199 60 HB3 LEU 10 1HB LEU 10 11.010 -0.883 2.395 61 HG LEU 10 HG LEU 10 8.246 -0.784 3.604 62 HD11 LEU 10 1HD1 LEU 10 9.651 -2.458 4.653 63 HD12 LEU 10 2HD1 LEU 10 9.398 -1.085 5.729 64 HD13 LEU 10 3HD1 LEU 10 10.931 -1.264 4.878 65 HD21 LEU 10 1HD2 LEU 10 10.586 1.103 3.906 66 HD22 LEU 10 2HD2 LEU 10 9.092 1.168 4.841 67 HD23 LEU 10 3HD2 LEU 10 9.055 1.459 3.103 68 H LEU 11 HN LEU 11 8.756 -2.373 -0.261 69 HA LEU 11 HA LEU 11 10.989 -2.463 -2.022 70 HB2 LEU 11 2HB LEU 11 8.326 -3.887 -2.073 71 HB3 LEU 11 1HB LEU 11 9.675 -4.257 -3.120 72 HG LEU 11 HG LEU 11 9.569 -5.899 -1.491 73 HD11 LEU 11 1HD1 LEU 11 11.821 -5.249 -2.013 74 HD12 LEU 11 2HD1 LEU 11 11.725 -5.753 -0.327 75 HD13 LEU 11 3HD1 LEU 11 11.804 -4.039 -0.728 76 HD21 LEU 11 1HD2 LEU 11 9.551 -3.791 0.660 77 HD22 LEU 11 2HD2 LEU 11 9.687 -5.524 0.946 78 HD23 LEU 11 3HD2 LEU 11 8.221 -4.864 0.218 79 H GLY 12 HN GLY 12 7.699 -1.268 -2.083 80 HA2 GLY 12 2HA GLY 12 7.390 0.827 -3.318 81 HA3 GLY 12 1HA GLY 12 8.343 0.103 -4.609 82 H LYS 13 HN LYS 13 6.330 -2.140 -3.112 83 HA LYS 13 HA LYS 13 4.184 -1.696 -4.986 84 HB2 LYS 13 2HB LYS 13 4.249 -4.079 -5.522 85 HB3 LYS 13 1HB LYS 13 5.584 -3.167 -6.231 86 HG2 LYS 13 2HG LYS 13 7.057 -4.041 -4.465 87 HG3 LYS 13 1HG LYS 13 5.698 -4.923 -3.769 88 HD2 LYS 13 2HD LYS 13 6.766 -5.338 -6.563 89 HD3 LYS 13 1HD LYS 13 7.188 -6.325 -5.163 90 HE2 LYS 13 2HE LYS 13 4.839 -6.966 -4.904 91 HE3 LYS 13 1HE LYS 13 4.401 -5.963 -6.282 92 HZ1 LYS 13 1HZ LYS 13 6.183 -8.351 -6.396 93 HZ2 LYS 13 2HZ LYS 13 5.708 -7.391 -7.712 94 HZ3 LYS 13 3HZ LYS 13 4.573 -8.271 -6.862 95 H CYS 14 HN CYS 14 2.342 -3.024 -4.496 96 HA CYS 14 HA CYS 14 2.095 -3.701 -1.670 97 HB2 CYS 14 2HB CYS 14 0.059 -3.159 -3.823 98 HB3 CYS 14 1HB CYS 14 -0.364 -3.799 -2.240 99 H TYR 15 HN TYR 15 1.577 -5.720 -1.020 100 HA TYR 15 HA TYR 15 1.430 -7.794 -3.086 101 HB2 TYR 15 2HB TYR 15 2.089 -7.950 -0.136 102 HB3 TYR 15 1HB TYR 15 1.917 -9.361 -1.173 103 HD1 TYR 15 1HD TYR 15 3.616 -9.919 -2.786 104 HD2 TYR 15 2HD TYR 15 4.017 -6.449 -0.361 105 HE1 TYR 15 1HE TYR 15 5.963 -9.746 -3.436 106 HE2 TYR 15 2HE TYR 15 6.365 -6.260 -1.001 107 HH TYR 15 HH TYR 15 8.151 -7.732 -1.835 108 H THR 16 HN THR 16 -0.468 -5.956 -1.124 109 HA THR 16 HA THR 16 -2.387 -7.939 -0.360 110 HB THR 16 HB THR 16 -2.645 -4.943 -0.163 111 HG1 THR 16 1HG THR 16 -1.179 -6.763 1.474 112 HG21 THR 16 1HG2 THR 16 -3.888 -5.521 1.879 113 HG22 THR 16 2HG2 THR 16 -3.549 -7.229 1.608 114 HG23 THR 16 3HG2 THR 16 -4.581 -6.345 0.481 115 HA PRO 17 HA PRO 17 -4.507 -7.298 -4.308 116 HB2 PRO 17 2HB PRO 17 -6.660 -8.876 -3.701 117 HB3 PRO 17 1HB PRO 17 -5.132 -9.489 -4.340 118 HG2 PRO 17 2HG PRO 17 -6.164 -9.506 -1.553 119 HG3 PRO 17 1HG PRO 17 -5.175 -10.710 -2.396 120 HD2 PRO 17 2HD PRO 17 -4.190 -8.924 -0.592 121 HD3 PRO 17 1HD PRO 17 -3.224 -9.625 -1.906 122 H GLY 18 HN GLY 18 -5.762 -5.664 -4.796 123 HA2 GLY 18 2HA GLY 18 -7.775 -4.430 -4.706 124 HA3 GLY 18 1HA GLY 18 -7.996 -4.969 -3.043 125 H CYS 19 HN CYS 19 -4.851 -4.132 -3.441 126 HA CYS 19 HA CYS 19 -5.328 -1.423 -2.437 127 HB2 CYS 19 2HB CYS 19 -3.130 -3.376 -1.770 128 HB3 CYS 19 1HB CYS 19 -3.181 -1.707 -1.225 129 H SER 20 HN SER 20 -3.842 0.170 -3.056 130 HA SER 20 HA SER 20 -2.153 -0.484 -5.342 131 HB2 SER 20 2HB SER 20 -4.325 0.743 -5.948 132 HB3 SER 20 1HB SER 20 -3.732 2.085 -4.976 133 HG SER 20 HG SER 20 -2.047 1.081 -6.970 134 H CYS 21 HN CYS 21 -0.169 0.604 -5.280 135 HA CYS 21 HA CYS 21 0.611 1.281 -2.600 136 HB2 CYS 21 2HB CYS 21 1.962 -0.281 -3.816 137 HB3 CYS 21 1HB CYS 21 2.189 0.868 -5.127 138 H ARG 22 HN ARG 22 1.190 3.207 -1.829 139 HA ARG 22 HA ARG 22 1.865 5.374 -3.681 140 HB2 ARG 22 2HB ARG 22 0.445 5.789 -1.028 141 HB3 ARG 22 1HB ARG 22 0.860 7.017 -2.200 142 HG2 ARG 22 2HG ARG 22 -1.209 4.872 -2.541 143 HG3 ARG 22 1HG ARG 22 -1.515 6.562 -2.150 144 HD2 ARG 22 2HD ARG 22 -0.538 7.221 -4.272 145 HD3 ARG 22 1HD ARG 22 -0.228 5.523 -4.658 146 HE ARG 22 HE ARG 22 -2.871 6.732 -4.307 147 HH11 ARG 22 1HH1 ARG 22 -0.801 4.243 -5.762 148 HH12 ARG 22 2HH1 ARG 22 -2.103 3.463 -6.533 149 HH21 ARG 22 1HH2 ARG 22 -4.590 5.683 -5.342 150 HH22 ARG 22 2HH2 ARG 22 -4.315 4.329 -6.337 151 H ARG 23 HN ARG 23 3.986 4.667 -3.302 152 HA ARG 23 HA ARG 23 4.990 3.853 -0.886 153 HB2 ARG 23 2HB ARG 23 7.255 4.211 -1.739 154 HB3 ARG 23 1HB ARG 23 6.224 3.453 -2.934 155 HG2 ARG 23 2HG ARG 23 6.022 5.582 -4.111 156 HG3 ARG 23 1HG ARG 23 7.037 6.355 -2.887 157 HD2 ARG 23 2HD ARG 23 8.827 4.728 -3.417 158 HD3 ARG 23 1HD ARG 23 7.830 4.097 -4.724 159 HE ARG 23 HE ARG 23 8.012 6.762 -5.195 160 HH11 ARG 23 1HH1 ARG 23 10.378 4.164 -4.762 161 HH12 ARG 23 2HH1 ARG 23 11.570 4.869 -5.755 162 HH21 ARG 23 1HH2 ARG 23 9.659 7.754 -6.588 163 HH22 ARG 23 2HH2 ARG 23 11.144 6.973 -6.797 164 HA PRO 24 HA PRO 24 6.672 3.706 0.361 165 HB2 PRO 24 2HB PRO 24 7.394 3.890 2.867 166 HB3 PRO 24 1HB PRO 24 8.231 4.851 1.639 167 HG2 PRO 24 2HG PRO 24 6.113 5.703 3.579 168 HG3 PRO 24 1HG PRO 24 7.601 6.546 3.119 169 HD2 PRO 24 2HD PRO 24 5.068 7.023 2.040 170 HD3 PRO 24 1HD PRO 24 6.607 7.504 1.298 171 H VAL 25 HN VAL 25 3.581 4.460 0.867 172 HA VAL 25 HA VAL 25 3.183 2.260 2.784 173 HB VAL 25 HB VAL 25 1.376 4.702 2.613 174 HG11 VAL 25 1HG1 VAL 25 0.220 2.727 3.406 175 HG12 VAL 25 2HG1 VAL 25 0.406 3.897 4.712 176 HG13 VAL 25 3HG1 VAL 25 1.451 2.477 4.644 177 HG21 VAL 25 1HG2 VAL 25 3.471 4.098 4.701 178 HG22 VAL 25 2HG2 VAL 25 2.297 5.412 4.775 179 HG23 VAL 25 3HG2 VAL 25 3.528 5.398 3.510 180 H CYS 26 HN CYS 26 1.188 0.985 2.434 181 HA CYS 26 HA CYS 26 0.382 1.037 -0.375 182 HB2 CYS 26 2HB CYS 26 1.343 -1.050 0.600 183 HB3 CYS 26 1HB CYS 26 0.041 -1.066 1.779 184 H TYR 27 HN TYR 27 -1.890 1.303 -0.865 185 HA TYR 27 HA TYR 27 -3.580 1.823 1.467 186 HB2 TYR 27 2HB TYR 27 -3.247 3.635 -0.923 187 HB3 TYR 27 1HB TYR 27 -4.542 3.787 0.252 188 HD1 TYR 27 1HD TYR 27 -4.075 4.610 2.501 189 HD2 TYR 27 2HD TYR 27 -0.980 4.284 -0.373 190 HE1 TYR 27 1HE TYR 27 -2.665 6.044 3.878 191 HE2 TYR 27 2HE TYR 27 0.451 5.727 0.995 192 HH TYR 27 HH TYR 27 -0.381 6.585 4.214 193 H LYS 28 HN LYS 28 -5.798 1.581 1.136 194 HA LYS 28 HA LYS 28 -6.548 0.072 -1.269 195 HB2 LYS 28 2HB LYS 28 -6.601 -1.200 0.892 196 HB3 LYS 28 1HB LYS 28 -7.752 -0.006 1.491 197 HG2 LYS 28 2HG LYS 28 -9.334 -0.684 -0.253 198 HG3 LYS 28 1HG LYS 28 -8.182 -1.905 -0.801 199 HD2 LYS 28 2HD LYS 28 -8.253 -2.949 1.420 200 HD3 LYS 28 1HD LYS 28 -9.433 -1.749 1.938 201 HE2 LYS 28 2HE LYS 28 -10.574 -3.793 1.353 202 HE3 LYS 28 1HE LYS 28 -10.976 -2.546 0.178 203 HZ1 LYS 28 1HZ LYS 28 -10.526 -4.646 -0.889 204 HZ2 LYS 28 2HZ LYS 28 -8.992 -4.718 -0.207 205 HZ3 LYS 28 3HZ LYS 28 -9.376 -3.505 -1.340 206 H ASN 29 HN ASN 29 -7.460 1.517 -2.516 207 HA ASN 29 HA ASN 29 -8.773 3.109 -3.369 208 HB2 ASN 29 2HB ASN 29 -10.429 2.792 -0.833 209 HB3 ASN 29 1HB ASN 29 -10.912 3.770 -2.212 210 HD21 ASN 29 1HD2 ASN 29 -10.720 0.613 -0.886 211 HD22 ASN 29 2HD2 ASN 29 -11.443 -0.214 -2.214
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