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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
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9069 |
1nbj ![]() ![]() |
4461 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H CYS 1 H CYS 1 3.195 3.303 -2.706 2 HA CYS 1 HA CYS 1 5.468 1.733 -3.605 3 1HB CYS 1 2HB CYS 1 3.224 0.922 -1.754 4 2HB CYS 1 1HB CYS 1 4.781 0.124 -1.955 5 H ALA 2 H ALA 2 5.165 -0.406 -4.590 6 HA ALA 2 HA ALA 2 3.066 -0.278 -6.563 7 1HB ALA 2 1HB ALA 2 4.306 -2.433 -7.353 8 2HB ALA 2 2HB ALA 2 5.559 -1.877 -6.243 9 3HB ALA 2 3HB ALA 2 5.045 -0.848 -7.580 10 H GLU 3 H GLU 3 1.975 -0.723 -4.076 11 HA GLU 3 HA GLU 3 0.696 -3.284 -4.528 12 1HB GLU 3 2HB GLU 3 2.245 -2.651 -2.024 13 2HB GLU 3 1HB GLU 3 0.927 -3.812 -2.026 14 1HG GLU 3 2HG GLU 3 2.144 -5.068 -3.804 15 2HG GLU 3 1HG GLU 3 3.492 -3.961 -3.583 16 H SER 4 H SER 4 -1.394 -3.221 -4.071 17 HA SER 4 HA SER 4 -2.418 -0.875 -2.636 18 1HB SER 4 2HB SER 4 -4.627 -1.764 -3.794 19 2HB SER 4 1HB SER 4 -3.474 -0.778 -4.689 20 HG SER 4 HG SER 4 -3.305 -2.399 -6.006 21 H CYS 5 H CYS 5 -3.372 -1.201 -0.723 22 HA CYS 5 HA CYS 5 -3.499 -3.931 0.235 23 1HB CYS 5 2HB CYS 5 -4.009 -2.790 2.451 24 2HB CYS 5 1HB CYS 5 -2.430 -2.491 1.741 25 H VAL 6 H VAL 6 -5.558 -2.168 -1.441 26 HA VAL 6 HA VAL 6 -8.000 -1.880 -0.406 27 HB VAL 6 HB VAL 6 -7.703 -3.447 -2.962 28 1HG1 VAL 6 1HG1 VAL 6 -9.757 -1.591 -1.825 29 2HG1 VAL 6 2HG1 VAL 6 -9.964 -3.206 -2.504 30 3HG1 VAL 6 3HG1 VAL 6 -9.627 -1.839 -3.567 31 1HG2 VAL 6 1HG2 VAL 6 -6.533 -1.814 -3.895 32 2HG2 VAL 6 2HG2 VAL 6 -6.503 -0.941 -2.363 33 3HG2 VAL 6 3HG2 VAL 6 -7.818 -0.671 -3.507 34 H TYR 7 H TYR 7 -6.704 -5.070 -1.326 35 HA TYR 7 HA TYR 7 -8.934 -6.279 0.173 36 1HB TYR 7 2HB TYR 7 -7.617 -7.095 -2.386 37 2HB TYR 7 1HB TYR 7 -8.331 -8.320 -1.350 38 HD1 TYR 7 HD1 TYR 7 -9.304 -4.949 -2.677 39 HD2 TYR 7 HD2 TYR 7 -10.448 -8.979 -1.941 40 HE1 TYR 7 HE1 TYR 7 -11.507 -4.499 -3.670 41 HE2 TYR 7 HE2 TYR 7 -12.654 -8.540 -2.932 42 HH TYR 7 HH TYR 7 -13.956 -5.680 -3.329 43 H ILE 8 H ILE 8 -5.598 -5.851 0.145 44 HA ILE 8 HA ILE 8 -5.242 -7.810 2.249 45 HB ILE 8 HB ILE 8 -3.127 -8.708 1.041 46 1HG1 ILE 8 2HG1 ILE 8 -4.806 -7.944 -1.356 47 2HG1 ILE 8 1HG1 ILE 8 -3.291 -7.178 -0.891 48 1HG2 ILE 8 1HG2 ILE 8 -5.940 -9.589 0.646 49 2HG2 ILE 8 2HG2 ILE 8 -4.638 -10.340 1.568 50 3HG2 ILE 8 3HG2 ILE 8 -4.643 -10.440 -0.193 51 1HD1 ILE 8 1HD1 ILE 8 -2.432 -8.612 -2.384 52 2HD1 ILE 8 2HD1 ILE 8 -3.783 -9.738 -2.243 53 3HD1 ILE 8 3HD1 ILE 8 -2.500 -9.744 -1.033 54 HA PRO 9 HA PRO 9 -2.430 -4.706 3.672 55 1HB PRO 9 2HB PRO 9 -0.995 -6.926 5.001 56 2HB PRO 9 1HB PRO 9 -1.747 -5.491 5.705 57 1HG PRO 9 2HG PRO 9 -2.852 -7.909 5.983 58 2HG PRO 9 1HG PRO 9 -3.848 -6.457 5.765 59 1HD PRO 9 2HD PRO 9 -3.112 -8.571 3.775 60 2HD PRO 9 1HD PRO 9 -4.663 -7.738 4.014 61 H CYS 10 H CYS 10 -0.336 -3.969 3.356 62 HA CYS 10 HA CYS 10 0.998 -4.607 1.030 63 1HB CYS 10 2HB CYS 10 2.387 -3.486 3.462 64 2HB CYS 10 1HB CYS 10 2.702 -3.127 1.768 65 H THR 11 H THR 11 2.567 -6.013 0.438 66 HA THR 11 HA THR 11 3.533 -7.856 2.526 67 HB THR 11 HB THR 11 3.217 -8.456 -0.421 68 HG1 THR 11 HG1 THR 11 1.280 -8.156 1.193 69 1HG2 THR 11 1HG2 THR 11 4.858 -9.908 0.451 70 2HG2 THR 11 2HG2 THR 11 3.361 -10.839 0.501 71 3HG2 THR 11 3HG2 THR 11 3.992 -10.104 1.975 72 H VAL 12 H VAL 12 4.579 -7.139 -0.825 73 HA VAL 12 HA VAL 12 7.335 -7.410 -0.187 74 HB VAL 12 HB VAL 12 6.187 -5.855 -2.513 75 1HG1 VAL 12 1HG1 VAL 12 8.800 -7.337 -2.345 76 2HG1 VAL 12 2HG1 VAL 12 8.631 -5.618 -1.990 77 3HG1 VAL 12 3HG1 VAL 12 8.262 -6.226 -3.604 78 1HG2 VAL 12 1HG2 VAL 12 7.068 -8.571 -3.074 79 2HG2 VAL 12 2HG2 VAL 12 5.608 -7.719 -3.580 80 3HG2 VAL 12 3HG2 VAL 12 5.671 -8.500 -1.999 81 H THR 13 H THR 13 5.242 -4.627 -0.730 82 HA THR 13 HA THR 13 7.231 -2.688 -0.224 83 HB THR 13 HB THR 13 5.429 -1.071 -0.129 84 HG1 THR 13 HG1 THR 13 3.580 -3.230 -0.317 85 1HG2 THR 13 1HG2 THR 13 5.161 -3.210 -2.230 86 2HG2 THR 13 2HG2 THR 13 6.048 -1.688 -2.330 87 3HG2 THR 13 3HG2 THR 13 4.284 -1.681 -2.304 88 H ALA 14 H ALA 14 5.558 -4.763 1.875 89 HA ALA 14 HA ALA 14 5.407 -3.098 4.167 90 1HB ALA 14 1HB ALA 14 4.666 -4.930 5.289 91 2HB ALA 14 2HB ALA 14 5.871 -5.997 4.566 92 3HB ALA 14 3HB ALA 14 4.434 -5.542 3.650 93 H LEU 15 H LEU 15 7.871 -5.140 2.738 94 HA LEU 15 HA LEU 15 9.727 -4.966 4.888 95 1HB LEU 15 2HB LEU 15 9.979 -5.705 1.986 96 2HB LEU 15 1HB LEU 15 11.401 -5.540 2.994 97 HG LEU 15 HG LEU 15 10.410 -7.287 4.519 98 1HD1 LEU 15 1HD1 LEU 15 8.466 -7.556 2.238 99 2HD1 LEU 15 2HD1 LEU 15 8.098 -7.179 3.921 100 3HD1 LEU 15 3HD1 LEU 15 8.709 -8.776 3.488 101 1HD2 LEU 15 1HD2 LEU 15 11.609 -8.826 3.427 102 2HD2 LEU 15 2HD2 LEU 15 11.943 -7.528 2.281 103 3HD2 LEU 15 3HD2 LEU 15 10.645 -8.677 1.958 104 H LEU 16 H LEU 16 8.793 -2.944 2.297 105 HA LEU 16 HA LEU 16 11.137 -1.239 2.413 106 1HB LEU 16 2HB LEU 16 8.505 -0.791 1.001 107 2HB LEU 16 1HB LEU 16 9.980 0.123 0.758 108 HG LEU 16 HG LEU 16 9.621 -2.801 0.093 109 1HD1 LEU 16 1HD1 LEU 16 9.030 -0.360 -1.368 110 2HD1 LEU 16 2HD1 LEU 16 8.581 -2.030 -1.719 111 3HD1 LEU 16 3HD1 LEU 16 10.154 -1.415 -2.227 112 1HD2 LEU 16 1HD2 LEU 16 11.927 -0.896 -0.236 113 2HD2 LEU 16 2HD2 LEU 16 11.786 -2.399 -1.149 114 3HD2 LEU 16 3HD2 LEU 16 11.902 -2.444 0.610 115 H GLY 17 H GLY 17 8.376 -1.639 4.227 116 1HA GLY 17 2HA GLY 17 7.796 -0.447 6.150 117 2HA GLY 17 1HA GLY 17 8.804 0.884 5.603 118 H CYS 18 H CYS 18 6.519 -0.524 3.424 119 HA CYS 18 HA CYS 18 5.141 1.976 3.157 120 1HB CYS 18 2HB CYS 18 4.690 -0.723 1.889 121 2HB CYS 18 1HB CYS 18 3.756 0.712 1.494 122 H SER 19 H SER 19 3.305 2.603 4.064 123 HA SER 19 HA SER 19 1.875 0.649 5.726 124 1HB SER 19 2HB SER 19 2.810 2.643 6.890 125 2HB SER 19 1HB SER 19 1.803 3.675 5.876 126 HG SER 19 HG SER 19 0.195 3.277 7.156 127 H CYS 20 H CYS 20 -0.338 0.434 5.579 128 HA CYS 20 HA CYS 20 -1.487 0.931 3.015 129 1HB CYS 20 2HB CYS 20 -2.047 -1.084 4.274 130 2HB CYS 20 1HB CYS 20 -2.719 -0.109 5.576 131 H SER 21 H SER 21 -2.504 2.712 2.365 132 HA SER 21 HA SER 21 -4.126 4.248 4.217 133 1HB SER 21 2HB SER 21 -1.829 5.239 4.382 134 2HB SER 21 1HB SER 21 -1.893 5.578 2.653 135 HG SER 21 HG SER 21 -2.518 7.364 4.009 136 H ASN 22 H ASN 22 -5.948 4.793 3.200 137 HA ASN 22 HA ASN 22 -7.509 5.071 1.573 138 1HB ASN 22 2HB ASN 22 -6.073 7.041 1.110 139 2HB ASN 22 1HB ASN 22 -5.199 6.099 -0.086 140 1HD2 ASN 22 1HD2 ASN 22 -5.746 6.838 -2.003 141 2HD2 ASN 22 2HD2 ASN 22 -7.350 7.156 -2.554 142 H ARG 23 H ARG 23 -6.305 2.603 1.847 143 HA ARG 23 HA ARG 23 -6.378 0.520 0.957 144 1HB ARG 23 2HB ARG 23 -7.636 1.884 -1.424 145 2HB ARG 23 1HB ARG 23 -7.593 0.150 -1.145 146 1HG ARG 23 2HG ARG 23 -9.047 0.312 0.708 147 2HG ARG 23 1HG ARG 23 -8.870 2.066 0.783 148 1HD ARG 23 2HD ARG 23 -10.234 0.473 -1.386 149 2HD ARG 23 1HD ARG 23 -11.010 1.511 -0.191 150 HE ARG 23 HE ARG 23 -9.892 2.319 -2.659 151 1HH1 ARG 23 1HH1 ARG 23 -10.280 3.408 0.653 152 2HH1 ARG 23 2HH1 ARG 23 -10.058 5.083 0.260 153 1HH2 ARG 23 1HH2 ARG 23 -9.616 4.534 -3.167 154 2HH2 ARG 23 2HH2 ARG 23 -9.676 5.719 -1.902 155 H VAL 24 H VAL 24 -4.165 2.574 0.243 156 HA VAL 24 HA VAL 24 -2.817 0.737 -1.581 157 HB VAL 24 HB VAL 24 -3.663 2.505 -3.039 158 1HG1 VAL 24 1HG1 VAL 24 -2.085 4.408 -1.318 159 2HG1 VAL 24 2HG1 VAL 24 -3.842 4.318 -1.435 160 3HG1 VAL 24 3HG1 VAL 24 -2.888 4.814 -2.833 161 1HG2 VAL 24 1HG2 VAL 24 -1.745 1.739 -3.987 162 2HG2 VAL 24 2HG2 VAL 24 -0.751 2.167 -2.595 163 3HG2 VAL 24 3HG2 VAL 24 -1.272 3.417 -3.724 164 H CYS 25 H CYS 25 -0.643 0.514 -1.197 165 HA CYS 25 HA CYS 25 0.243 1.432 1.372 166 1HB CYS 25 2HB CYS 25 1.760 -0.129 -0.726 167 2HB CYS 25 1HB CYS 25 2.187 0.028 0.976 168 H TYR 26 H TYR 26 1.427 3.148 1.825 169 HA TYR 26 HA TYR 26 3.049 4.397 -0.286 170 1HB TYR 26 2HB TYR 26 0.825 5.616 1.242 171 2HB TYR 26 1HB TYR 26 2.273 6.593 1.080 172 HD1 TYR 26 HD1 TYR 26 0.302 4.370 -1.212 173 HD2 TYR 26 HD2 TYR 26 2.111 8.165 -0.574 174 HE1 TYR 26 HE1 TYR 26 -0.421 5.085 -3.449 175 HE2 TYR 26 HE2 TYR 26 1.391 8.891 -2.809 176 HH TYR 26 HH TYR 26 -0.778 6.982 -4.750 177 H ASN 27 H ASN 27 4.819 5.560 0.429 178 HA ASN 27 HA ASN 27 5.461 5.802 3.222 179 1HB ASN 27 2HB ASN 27 6.014 3.427 2.862 180 2HB ASN 27 1HB ASN 27 7.067 3.869 1.525 181 1HD2 ASN 27 1HD2 ASN 27 8.996 3.271 2.278 182 2HD2 ASN 27 2HD2 ASN 27 9.716 3.853 3.731 183 H GLY 28 H GLY 28 5.285 7.903 2.046 184 1HA GLY 28 2HA GLY 28 6.506 9.839 1.554 185 2HA GLY 28 1HA GLY 28 7.946 8.843 1.332 186 H ILE 29 H ILE 29 7.097 7.000 -0.397 187 HA ILE 29 HA ILE 29 6.284 8.470 -2.808 188 HB ILE 29 HB ILE 29 7.708 6.897 -4.110 189 1HG1 ILE 29 2HG1 ILE 29 8.835 6.123 -1.408 190 2HG1 ILE 29 1HG1 ILE 29 7.799 5.101 -2.396 191 1HG2 ILE 29 1HG2 ILE 29 8.455 9.186 -2.788 192 2HG2 ILE 29 2HG2 ILE 29 9.365 8.391 -4.072 193 3HG2 ILE 29 3HG2 ILE 29 9.746 8.056 -2.382 194 1HD1 ILE 29 1HD1 ILE 29 10.076 6.027 -3.897 195 2HD1 ILE 29 2HD1 ILE 29 9.525 4.382 -3.580 196 3HD1 ILE 29 3HD1 ILE 29 10.569 5.202 -2.419 197 HA PRO 30 HA PRO 30 3.126 5.411 -3.156 198 1HB PRO 30 2HB PRO 30 3.558 5.178 -6.053 199 2HB PRO 30 1HB PRO 30 2.168 5.828 -5.180 200 1HG PRO 30 2HG PRO 30 3.853 7.408 -6.567 201 2HG PRO 30 1HG PRO 30 3.053 7.952 -5.081 202 1HD PRO 30 2HD PRO 30 5.862 6.986 -5.478 203 2HD PRO 30 1HD PRO 30 5.262 8.333 -4.484 Start of MODEL 2 1 H CYS 1 H CYS 1 3.257 3.290 -2.707 2 HA CYS 1 HA CYS 1 5.457 1.586 -3.535 3 1HB CYS 1 2HB CYS 1 3.096 0.866 -1.812 4 2HB CYS 1 1HB CYS 1 4.649 0.041 -1.918 5 H ALA 2 H ALA 2 5.151 -0.428 -4.602 6 HA ALA 2 HA ALA 2 3.076 -0.283 -6.595 7 1HB ALA 2 1HB ALA 2 5.034 -0.853 -7.625 8 2HB ALA 2 2HB ALA 2 4.344 -2.455 -7.359 9 3HB ALA 2 3HB ALA 2 5.586 -1.839 -6.270 10 H GLU 3 H GLU 3 1.979 -0.773 -4.097 11 HA GLU 3 HA GLU 3 0.684 -3.322 -4.618 12 1HB GLU 3 2HB GLU 3 2.115 -2.732 -2.027 13 2HB GLU 3 1HB GLU 3 0.841 -3.931 -2.154 14 1HG GLU 3 2HG GLU 3 2.227 -5.074 -3.904 15 2HG GLU 3 1HG GLU 3 3.528 -3.957 -3.496 16 H SER 4 H SER 4 -1.410 -3.353 -4.000 17 HA SER 4 HA SER 4 -2.417 -0.945 -2.653 18 1HB SER 4 2HB SER 4 -4.638 -1.842 -3.783 19 2HB SER 4 1HB SER 4 -3.487 -0.868 -4.694 20 HG SER 4 HG SER 4 -3.321 -2.500 -5.994 21 H CYS 5 H CYS 5 -3.297 -1.228 -0.717 22 HA CYS 5 HA CYS 5 -3.487 -3.926 0.309 23 1HB CYS 5 2HB CYS 5 -4.001 -2.688 2.488 24 2HB CYS 5 1HB CYS 5 -2.400 -2.491 1.790 25 H VAL 6 H VAL 6 -5.512 -2.218 -1.430 26 HA VAL 6 HA VAL 6 -7.946 -1.809 -0.450 27 HB VAL 6 HB VAL 6 -7.618 -3.566 -2.879 28 1HG1 VAL 6 1HG1 VAL 6 -9.775 -3.201 -3.253 29 2HG1 VAL 6 2HG1 VAL 6 -9.567 -1.460 -3.068 30 3HG1 VAL 6 3HG1 VAL 6 -9.873 -2.466 -1.653 31 1HG2 VAL 6 1HG2 VAL 6 -6.415 -1.071 -2.457 32 2HG2 VAL 6 2HG2 VAL 6 -7.803 -0.773 -3.503 33 3HG2 VAL 6 3HG2 VAL 6 -6.576 -1.946 -3.980 34 H TYR 7 H TYR 7 -6.765 -5.102 -1.143 35 HA TYR 7 HA TYR 7 -8.929 -6.115 0.581 36 1HB TYR 7 2HB TYR 7 -8.036 -7.013 -2.111 37 2HB TYR 7 1HB TYR 7 -8.528 -8.244 -0.959 38 HD1 TYR 7 HD1 TYR 7 -9.822 -4.880 -1.994 39 HD2 TYR 7 HD2 TYR 7 -10.675 -8.986 -1.289 40 HE1 TYR 7 HE1 TYR 7 -12.173 -4.488 -2.592 41 HE2 TYR 7 HE2 TYR 7 -13.029 -8.605 -1.884 42 HH TYR 7 HH TYR 7 -14.615 -6.454 -1.838 43 H ILE 8 H ILE 8 -5.655 -5.776 0.322 44 HA ILE 8 HA ILE 8 -5.170 -7.837 2.307 45 HB ILE 8 HB ILE 8 -3.109 -8.632 0.958 46 1HG1 ILE 8 2HG1 ILE 8 -4.873 -7.714 -1.320 47 2HG1 ILE 8 1HG1 ILE 8 -3.348 -6.970 -0.854 48 1HG2 ILE 8 1HG2 ILE 8 -5.210 -9.949 -0.447 49 2HG2 ILE 8 2HG2 ILE 8 -5.731 -9.619 1.206 50 3HG2 ILE 8 3HG2 ILE 8 -4.245 -10.525 0.913 51 1HD1 ILE 8 1HD1 ILE 8 -3.745 -9.027 -2.688 52 2HD1 ILE 8 2HD1 ILE 8 -2.998 -9.788 -1.284 53 3HD1 ILE 8 3HD1 ILE 8 -2.208 -8.422 -2.072 54 HA PRO 9 HA PRO 9 -2.399 -4.702 3.766 55 1HB PRO 9 2HB PRO 9 -0.943 -6.944 5.035 56 2HB PRO 9 1HB PRO 9 -1.683 -5.522 5.775 57 1HG PRO 9 2HG PRO 9 -2.788 -7.942 6.026 58 2HG PRO 9 1HG PRO 9 -3.786 -6.487 5.842 59 1HD PRO 9 2HD PRO 9 -3.075 -8.569 3.811 60 2HD PRO 9 1HD PRO 9 -4.622 -7.738 4.079 61 H CYS 10 H CYS 10 -0.348 -3.916 3.367 62 HA CYS 10 HA CYS 10 0.965 -4.575 1.036 63 1HB CYS 10 2HB CYS 10 2.285 -3.333 3.459 64 2HB CYS 10 1HB CYS 10 2.712 -3.084 1.771 65 H THR 11 H THR 11 2.457 -6.080 0.452 66 HA THR 11 HA THR 11 3.525 -7.778 2.610 67 HB THR 11 HB THR 11 3.070 -8.555 -0.278 68 HG1 THR 11 HG1 THR 11 1.199 -8.147 1.340 69 1HG2 THR 11 1HG2 THR 11 4.747 -9.968 0.564 70 2HG2 THR 11 2HG2 THR 11 3.258 -10.882 0.801 71 3HG2 THR 11 3HG2 THR 11 4.005 -10.045 2.162 72 H VAL 12 H VAL 12 4.423 -7.169 -0.810 73 HA VAL 12 HA VAL 12 7.192 -7.531 -0.337 74 HB VAL 12 HB VAL 12 5.983 -5.880 -2.563 75 1HG1 VAL 12 1HG1 VAL 12 8.019 -5.793 -3.452 76 2HG1 VAL 12 2HG1 VAL 12 8.279 -7.520 -3.209 77 3HG1 VAL 12 3HG1 VAL 12 8.626 -6.385 -1.905 78 1HG2 VAL 12 1HG2 VAL 12 5.325 -8.491 -2.048 79 2HG2 VAL 12 2HG2 VAL 12 6.647 -8.644 -3.204 80 3HG2 VAL 12 3HG2 VAL 12 5.222 -7.690 -3.616 81 H THR 13 H THR 13 5.213 -4.647 -0.769 82 HA THR 13 HA THR 13 7.304 -2.802 -0.304 83 HB THR 13 HB THR 13 5.563 -1.112 -0.176 84 HG1 THR 13 HG1 THR 13 3.663 -3.233 -0.335 85 1HG2 THR 13 1HG2 THR 13 4.322 -1.788 -2.343 86 2HG2 THR 13 2HG2 THR 13 5.351 -3.220 -2.296 87 3HG2 THR 13 3HG2 THR 13 6.077 -1.615 -2.390 88 H ALA 14 H ALA 14 5.675 -4.842 1.825 89 HA ALA 14 HA ALA 14 5.560 -3.173 4.121 90 1HB ALA 14 1HB ALA 14 5.045 -5.078 5.353 91 2HB ALA 14 2HB ALA 14 5.985 -6.135 4.300 92 3HB ALA 14 3HB ALA 14 4.443 -5.481 3.746 93 H LEU 15 H LEU 15 7.985 -5.164 2.592 94 HA LEU 15 HA LEU 15 9.913 -5.045 4.681 95 1HB LEU 15 2HB LEU 15 9.954 -6.732 2.866 96 2HB LEU 15 1HB LEU 15 10.313 -5.461 1.714 97 HG LEU 15 HG LEU 15 12.448 -5.028 2.913 98 1HD1 LEU 15 1HD1 LEU 15 13.253 -6.733 4.497 99 2HD1 LEU 15 2HD1 LEU 15 11.653 -7.476 4.482 100 3HD1 LEU 15 3HD1 LEU 15 11.860 -5.841 5.110 101 1HD2 LEU 15 1HD2 LEU 15 13.610 -6.936 2.027 102 2HD2 LEU 15 2HD2 LEU 15 12.292 -6.515 0.933 103 3HD2 LEU 15 3HD2 LEU 15 12.128 -7.891 2.025 104 H LEU 16 H LEU 16 8.877 -2.951 2.179 105 HA LEU 16 HA LEU 16 11.197 -1.209 2.304 106 1HB LEU 16 2HB LEU 16 8.552 -0.840 0.892 107 2HB LEU 16 1HB LEU 16 9.971 0.168 0.687 108 HG LEU 16 HG LEU 16 9.794 -2.754 -0.055 109 1HD1 LEU 16 1HD1 LEU 16 8.514 -0.891 -1.390 110 2HD1 LEU 16 2HD1 LEU 16 9.416 -2.153 -2.230 111 3HD1 LEU 16 3HD1 LEU 16 10.122 -0.550 -2.027 112 1HD2 LEU 16 1HD2 LEU 16 11.966 -0.743 -0.631 113 2HD2 LEU 16 2HD2 LEU 16 11.952 -2.449 -1.076 114 3HD2 LEU 16 3HD2 LEU 16 12.050 -1.982 0.622 115 H GLY 17 H GLY 17 8.499 -1.701 4.166 116 1HA GLY 17 2HA GLY 17 7.858 -0.542 6.076 117 2HA GLY 17 1HA GLY 17 8.887 0.794 5.582 118 H CYS 18 H CYS 18 6.527 -0.608 3.442 119 HA CYS 18 HA CYS 18 5.233 1.931 3.108 120 1HB CYS 18 2HB CYS 18 4.740 -0.801 1.940 121 2HB CYS 18 1HB CYS 18 3.734 0.591 1.559 122 H SER 19 H SER 19 3.305 2.605 3.857 123 HA SER 19 HA SER 19 1.889 0.787 5.682 124 1HB SER 19 2HB SER 19 1.873 3.817 5.656 125 2HB SER 19 1HB SER 19 1.114 2.776 6.862 126 HG SER 19 HG SER 19 3.844 2.438 6.368 127 H CYS 20 H CYS 20 -0.359 0.639 5.560 128 HA CYS 20 HA CYS 20 -1.462 1.006 2.955 129 1HB CYS 20 2HB CYS 20 -2.087 -0.900 4.382 130 2HB CYS 20 1HB CYS 20 -2.811 0.205 5.546 131 H SER 21 H SER 21 -2.412 2.772 2.175 132 HA SER 21 HA SER 21 -3.894 4.539 3.966 133 1HB SER 21 2HB SER 21 -1.717 5.519 2.096 134 2HB SER 21 1HB SER 21 -2.788 6.542 3.053 135 HG SER 21 HG SER 21 -1.598 4.703 4.621 136 H ASN 22 H ASN 22 -5.821 4.839 3.091 137 HA ASN 22 HA ASN 22 -7.539 4.971 1.606 138 1HB ASN 22 2HB ASN 22 -5.312 6.202 -0.002 139 2HB ASN 22 1HB ASN 22 -6.927 6.018 -0.671 140 1HD2 ASN 22 1HD2 ASN 22 -7.551 6.433 2.462 141 2HD2 ASN 22 2HD2 ASN 22 -7.677 8.152 2.534 142 H ARG 23 H ARG 23 -6.119 2.518 1.811 143 HA ARG 23 HA ARG 23 -6.256 0.422 0.955 144 1HB ARG 23 2HB ARG 23 -7.652 1.719 -1.387 145 2HB ARG 23 1HB ARG 23 -7.527 -0.011 -1.107 146 1HG ARG 23 2HG ARG 23 -8.921 0.103 0.799 147 2HG ARG 23 1HG ARG 23 -8.831 1.866 0.843 148 1HD ARG 23 2HD ARG 23 -10.156 0.176 -1.273 149 2HD ARG 23 1HD ARG 23 -10.962 1.184 -0.070 150 HE ARG 23 HE ARG 23 -9.198 2.783 -1.560 151 1HH1 ARG 23 1HH1 ARG 23 -12.197 1.028 -1.958 152 2HH1 ARG 23 2HH1 ARG 23 -12.791 2.064 -3.213 153 1HH2 ARG 23 1HH2 ARG 23 -9.967 4.157 -3.219 154 2HH2 ARG 23 2HH2 ARG 23 -11.516 3.851 -3.934 155 H VAL 24 H VAL 24 -4.212 2.614 0.103 156 HA VAL 24 HA VAL 24 -2.851 0.893 -1.858 157 HB VAL 24 HB VAL 24 -2.811 3.923 -1.908 158 1HG1 VAL 24 1HG1 VAL 24 -1.291 3.845 -3.614 159 2HG1 VAL 24 2HG1 VAL 24 -1.785 2.232 -4.130 160 3HG1 VAL 24 3HG1 VAL 24 -0.787 2.429 -2.690 161 1HG2 VAL 24 1HG2 VAL 24 -3.841 2.500 -4.253 162 2HG2 VAL 24 2HG2 VAL 24 -4.436 3.955 -3.454 163 3HG2 VAL 24 3HG2 VAL 24 -4.854 2.365 -2.815 164 H CYS 25 H CYS 25 -0.684 0.552 -1.416 165 HA CYS 25 HA CYS 25 0.216 1.337 1.190 166 1HB CYS 25 2HB CYS 25 1.706 -0.094 -1.023 167 2HB CYS 25 1HB CYS 25 2.231 0.038 0.654 168 H TYR 26 H TYR 26 1.343 3.070 1.721 169 HA TYR 26 HA TYR 26 3.003 4.435 -0.260 170 1HB TYR 26 2HB TYR 26 0.746 5.432 -0.431 171 2HB TYR 26 1HB TYR 26 0.783 5.801 1.286 172 HD1 TYR 26 HD1 TYR 26 2.684 6.458 -1.855 173 HD2 TYR 26 HD2 TYR 26 1.486 7.905 1.959 174 HE1 TYR 26 HE1 TYR 26 3.698 8.636 -2.372 175 HE2 TYR 26 HE2 TYR 26 2.498 10.090 1.454 176 HH TYR 26 HH TYR 26 4.666 10.593 -0.978 177 H ASN 27 H ASN 27 4.692 5.558 0.638 178 HA ASN 27 HA ASN 27 4.788 6.106 3.477 179 1HB ASN 27 2HB ASN 27 6.696 4.712 4.022 180 2HB ASN 27 1HB ASN 27 5.401 3.698 3.407 181 1HD2 ASN 27 1HD2 ASN 27 8.386 3.435 3.549 182 2HD2 ASN 27 2HD2 ASN 27 8.851 2.989 1.948 183 H GLY 28 H GLY 28 4.781 8.011 1.861 184 1HA GLY 28 2HA GLY 28 6.070 9.968 1.545 185 2HA GLY 28 1HA GLY 28 7.537 8.996 1.708 186 H ILE 29 H ILE 29 6.976 6.949 0.054 187 HA ILE 29 HA ILE 29 6.760 8.173 -2.609 188 HB ILE 29 HB ILE 29 8.207 6.314 -3.422 189 1HG1 ILE 29 2HG1 ILE 29 8.708 5.799 -0.480 190 2HG1 ILE 29 1HG1 ILE 29 7.762 4.757 -1.537 191 1HG2 ILE 29 1HG2 ILE 29 9.427 8.244 -3.247 192 2HG2 ILE 29 2HG2 ILE 29 10.330 7.196 -2.153 193 3HG2 ILE 29 3HG2 ILE 29 9.185 8.371 -1.505 194 1HD1 ILE 29 1HD1 ILE 29 9.593 3.899 -2.556 195 2HD1 ILE 29 2HD1 ILE 29 10.313 4.304 -0.998 196 3HD1 ILE 29 3HD1 ILE 29 10.529 5.383 -2.375 197 HA PRO 30 HA PRO 30 3.359 5.404 -3.120 198 1HB PRO 30 2HB PRO 30 3.890 5.190 -5.983 199 2HB PRO 30 1HB PRO 30 2.576 6.033 -5.160 200 1HG PRO 30 2HG PRO 30 4.564 7.336 -6.466 201 2HG PRO 30 1HG PRO 30 3.734 8.013 -5.052 202 1HD PRO 30 2HD PRO 30 6.406 6.664 -5.218 203 2HD PRO 30 1HD PRO 30 5.925 8.102 -4.291 Start of MODEL 3 1 H CYS 1 H CYS 1 3.130 3.318 -2.683 2 HA CYS 1 HA CYS 1 5.423 1.757 -3.536 3 1HB CYS 1 2HB CYS 1 3.143 0.928 -1.744 4 2HB CYS 1 1HB CYS 1 4.710 0.144 -1.908 5 H ALA 2 H ALA 2 5.217 -0.309 -4.563 6 HA ALA 2 HA ALA 2 3.169 -0.282 -6.578 7 1HB ALA 2 1HB ALA 2 4.537 -2.509 -7.152 8 2HB ALA 2 2HB ALA 2 5.743 -1.663 -6.182 9 3HB ALA 2 3HB ALA 2 5.072 -0.896 -7.622 10 H GLU 3 H GLU 3 2.008 -0.721 -4.117 11 HA GLU 3 HA GLU 3 0.755 -3.291 -4.585 12 1HB GLU 3 2HB GLU 3 2.171 -2.642 -1.999 13 2HB GLU 3 1HB GLU 3 0.910 -3.857 -2.109 14 1HG GLU 3 2HG GLU 3 2.324 -4.998 -3.853 15 2HG GLU 3 1HG GLU 3 3.611 -3.875 -3.418 16 H SER 4 H SER 4 -1.347 -3.299 -4.020 17 HA SER 4 HA SER 4 -2.369 -0.895 -2.677 18 1HB SER 4 2HB SER 4 -4.577 -1.776 -3.844 19 2HB SER 4 1HB SER 4 -3.407 -0.808 -4.737 20 HG SER 4 HG SER 4 -3.164 -2.443 -6.022 21 H CYS 5 H CYS 5 -3.317 -1.183 -0.764 22 HA CYS 5 HA CYS 5 -3.508 -3.896 0.234 23 1HB CYS 5 2HB CYS 5 -4.011 -2.708 2.428 24 2HB CYS 5 1HB CYS 5 -2.420 -2.456 1.726 25 H VAL 6 H VAL 6 -5.496 -2.233 -1.537 26 HA VAL 6 HA VAL 6 -7.938 -1.764 -0.632 27 HB VAL 6 HB VAL 6 -7.557 -3.642 -2.962 28 1HG1 VAL 6 1HG1 VAL 6 -9.816 -2.212 -1.864 29 2HG1 VAL 6 2HG1 VAL 6 -9.767 -3.453 -3.116 30 3HG1 VAL 6 3HG1 VAL 6 -9.514 -1.760 -3.542 31 1HG2 VAL 6 1HG2 VAL 6 -6.907 -1.922 -4.326 32 2HG2 VAL 6 2HG2 VAL 6 -6.127 -1.440 -2.820 33 3HG2 VAL 6 3HG2 VAL 6 -7.645 -0.687 -3.307 34 H TYR 7 H TYR 7 -6.822 -5.112 -1.170 35 HA TYR 7 HA TYR 7 -8.955 -5.993 0.657 36 1HB TYR 7 2HB TYR 7 -8.253 -6.982 -2.055 37 2HB TYR 7 1HB TYR 7 -8.689 -8.179 -0.849 38 HD1 TYR 7 HD1 TYR 7 -9.991 -4.817 -1.880 39 HD2 TYR 7 HD2 TYR 7 -10.868 -8.886 -1.013 40 HE1 TYR 7 HE1 TYR 7 -12.371 -4.394 -2.332 41 HE2 TYR 7 HE2 TYR 7 -13.249 -8.476 -1.463 42 HH TYR 7 HH TYR 7 -14.563 -5.378 -1.723 43 H ILE 8 H ILE 8 -5.721 -5.727 0.319 44 HA ILE 8 HA ILE 8 -5.208 -7.824 2.261 45 HB ILE 8 HB ILE 8 -3.169 -8.594 0.868 46 1HG1 ILE 8 2HG1 ILE 8 -4.963 -7.629 -1.368 47 2HG1 ILE 8 1HG1 ILE 8 -3.437 -6.887 -0.903 48 1HG2 ILE 8 1HG2 ILE 8 -4.854 -10.154 1.425 49 2HG2 ILE 8 2HG2 ILE 8 -4.559 -10.324 -0.305 50 3HG2 ILE 8 3HG2 ILE 8 -5.984 -9.456 0.265 51 1HD1 ILE 8 1HD1 ILE 8 -3.426 -8.442 -2.910 52 2HD1 ILE 8 2HD1 ILE 8 -3.608 -9.757 -1.749 53 3HD1 ILE 8 3HD1 ILE 8 -2.192 -8.709 -1.679 54 HA PRO 9 HA PRO 9 -2.409 -4.724 3.734 55 1HB PRO 9 2HB PRO 9 -0.955 -6.971 4.985 56 2HB PRO 9 1HB PRO 9 -1.712 -5.565 5.738 57 1HG PRO 9 2HG PRO 9 -2.792 -8.004 5.950 58 2HG PRO 9 1HG PRO 9 -3.803 -6.554 5.794 59 1HD PRO 9 2HD PRO 9 -3.076 -8.591 3.723 60 2HD PRO 9 1HD PRO 9 -4.631 -7.784 4.012 61 H CYS 10 H CYS 10 -0.352 -3.951 3.342 62 HA CYS 10 HA CYS 10 0.951 -4.612 1.000 63 1HB CYS 10 2HB CYS 10 2.301 -3.376 3.406 64 2HB CYS 10 1HB CYS 10 2.679 -3.103 1.710 65 H THR 11 H THR 11 2.486 -6.086 0.423 66 HA THR 11 HA THR 11 3.541 -7.788 2.586 67 HB THR 11 HB THR 11 3.082 -8.571 -0.300 68 HG1 THR 11 HG1 THR 11 1.217 -8.190 1.320 69 1HG2 THR 11 1HG2 THR 11 4.379 -9.868 2.001 70 2HG2 THR 11 2HG2 THR 11 4.572 -10.168 0.274 71 3HG2 THR 11 3HG2 THR 11 3.210 -10.873 1.144 72 H VAL 12 H VAL 12 4.436 -7.132 -0.830 73 HA VAL 12 HA VAL 12 7.203 -7.516 -0.373 74 HB VAL 12 HB VAL 12 5.995 -5.802 -2.551 75 1HG1 VAL 12 1HG1 VAL 12 7.993 -6.567 -3.823 76 2HG1 VAL 12 2HG1 VAL 12 8.596 -7.306 -2.340 77 3HG1 VAL 12 3HG1 VAL 12 8.372 -5.559 -2.426 78 1HG2 VAL 12 1HG2 VAL 12 6.664 -8.558 -3.247 79 2HG2 VAL 12 2HG2 VAL 12 5.252 -7.585 -3.668 80 3HG2 VAL 12 3HG2 VAL 12 5.321 -8.414 -2.112 81 H THR 13 H THR 13 5.305 -4.567 -0.844 82 HA THR 13 HA THR 13 7.430 -2.804 -0.252 83 HB THR 13 HB THR 13 5.754 -1.052 -0.182 84 HG1 THR 13 HG1 THR 13 3.815 -3.145 -0.331 85 1HG2 THR 13 1HG2 THR 13 4.562 -1.650 -2.393 86 2HG2 THR 13 2HG2 THR 13 5.512 -3.135 -2.324 87 3HG2 THR 13 3HG2 THR 13 6.324 -1.571 -2.381 88 H ALA 14 H ALA 14 5.758 -4.859 1.779 89 HA ALA 14 HA ALA 14 5.508 -3.219 4.082 90 1HB ALA 14 1HB ALA 14 5.520 -5.446 5.313 91 2HB ALA 14 2HB ALA 14 5.637 -6.202 3.724 92 3HB ALA 14 3HB ALA 14 4.240 -5.202 4.124 93 H LEU 15 H LEU 15 8.091 -5.188 2.698 94 HA LEU 15 HA LEU 15 9.805 -4.907 4.970 95 1HB LEU 15 2HB LEU 15 11.566 -5.836 3.594 96 2HB LEU 15 1HB LEU 15 10.098 -6.767 3.406 97 HG LEU 15 HG LEU 15 9.813 -5.196 1.275 98 1HD1 LEU 15 1HD1 LEU 15 12.406 -4.528 2.161 99 2HD1 LEU 15 2HD1 LEU 15 11.602 -4.036 0.671 100 3HD1 LEU 15 3HD1 LEU 15 12.589 -5.497 0.698 101 1HD2 LEU 15 1HD2 LEU 15 11.745 -7.486 1.139 102 2HD2 LEU 15 2HD2 LEU 15 10.511 -7.005 -0.027 103 3HD2 LEU 15 3HD2 LEU 15 10.038 -7.733 1.509 104 H LEU 16 H LEU 16 8.881 -2.929 2.389 105 HA LEU 16 HA LEU 16 11.202 -1.181 2.511 106 1HB LEU 16 2HB LEU 16 8.574 -0.884 1.049 107 2HB LEU 16 1HB LEU 16 9.936 0.207 0.898 108 HG LEU 16 HG LEU 16 10.002 -2.712 0.130 109 1HD1 LEU 16 1HD1 LEU 16 8.578 -0.860 -1.186 110 2HD1 LEU 16 2HD1 LEU 16 9.421 -2.185 -1.988 111 3HD1 LEU 16 3HD1 LEU 16 10.163 -0.586 -1.910 112 1HD2 LEU 16 1HD2 LEU 16 11.951 -0.826 -0.982 113 2HD2 LEU 16 2HD2 LEU 16 12.178 -2.459 -0.356 114 3HD2 LEU 16 3HD2 LEU 16 12.098 -1.091 0.755 115 H GLY 17 H GLY 17 8.402 -1.665 4.263 116 1HA GLY 17 2HA GLY 17 7.761 -0.518 6.194 117 2HA GLY 17 1HA GLY 17 8.760 0.838 5.696 118 H CYS 18 H CYS 18 6.547 -0.559 3.433 119 HA CYS 18 HA CYS 18 5.158 1.924 3.158 120 1HB CYS 18 2HB CYS 18 4.790 -0.775 1.883 121 2HB CYS 18 1HB CYS 18 3.755 0.599 1.516 122 H SER 19 H SER 19 3.353 2.582 4.073 123 HA SER 19 HA SER 19 1.873 0.659 5.724 124 1HB SER 19 2HB SER 19 1.866 3.688 5.842 125 2HB SER 19 1HB SER 19 1.076 2.596 6.981 126 HG SER 19 HG SER 19 3.844 2.391 6.496 127 H CYS 20 H CYS 20 -0.345 0.470 5.552 128 HA CYS 20 HA CYS 20 -1.455 0.967 2.977 129 1HB CYS 20 2HB CYS 20 -2.077 -1.010 4.275 130 2HB CYS 20 1HB CYS 20 -2.762 0.010 5.535 131 H SER 21 H SER 21 -2.510 2.705 2.274 132 HA SER 21 HA SER 21 -4.023 4.362 4.122 133 1HB SER 21 2HB SER 21 -1.688 5.313 4.045 134 2HB SER 21 1HB SER 21 -1.914 5.582 2.317 135 HG SER 21 HG SER 21 -2.659 7.139 4.326 136 H ASN 22 H ASN 22 -5.925 4.661 3.205 137 HA ASN 22 HA ASN 22 -7.600 4.776 1.685 138 1HB ASN 22 2HB ASN 22 -5.410 6.322 0.376 139 2HB ASN 22 1HB ASN 22 -6.855 5.955 -0.560 140 1HD2 ASN 22 1HD2 ASN 22 -5.473 8.224 1.308 141 2HD2 ASN 22 2HD2 ASN 22 -6.884 9.021 1.907 142 H ARG 23 H ARG 23 -6.312 2.352 1.804 143 HA ARG 23 HA ARG 23 -6.319 0.328 0.802 144 1HB ARG 23 2HB ARG 23 -7.781 1.855 -1.342 145 2HB ARG 23 1HB ARG 23 -7.409 0.149 -1.508 146 1HG ARG 23 2HG ARG 23 -9.626 0.261 -0.737 147 2HG ARG 23 1HG ARG 23 -8.659 -0.209 0.660 148 1HD ARG 23 2HD ARG 23 -10.379 1.496 1.180 149 2HD ARG 23 1HD ARG 23 -8.736 2.033 1.530 150 HE ARG 23 HE ARG 23 -9.426 2.848 -1.067 151 1HH1 ARG 23 1HH1 ARG 23 -10.295 3.537 2.251 152 2HH1 ARG 23 2HH1 ARG 23 -10.661 5.204 1.947 153 1HH2 ARG 23 1HH2 ARG 23 -9.904 5.049 -1.476 154 2HH2 ARG 23 2HH2 ARG 23 -10.432 6.067 -0.177 155 H VAL 24 H VAL 24 -4.240 2.571 0.157 156 HA VAL 24 HA VAL 24 -2.808 0.949 -1.837 157 HB VAL 24 HB VAL 24 -2.818 3.979 -1.795 158 1HG1 VAL 24 1HG1 VAL 24 -1.521 2.074 -3.740 159 2HG1 VAL 24 2HG1 VAL 24 -0.678 2.987 -2.488 160 3HG1 VAL 24 3HG1 VAL 24 -1.478 3.835 -3.812 161 1HG2 VAL 24 1HG2 VAL 24 -4.109 3.970 -3.766 162 2HG2 VAL 24 2HG2 VAL 24 -4.918 2.850 -2.669 163 3HG2 VAL 24 3HG2 VAL 24 -3.914 2.230 -3.980 164 H CYS 25 H CYS 25 -0.645 0.635 -1.370 165 HA CYS 25 HA CYS 25 0.204 1.369 1.276 166 1HB CYS 25 2HB CYS 25 1.742 -0.022 -0.931 167 2HB CYS 25 1HB CYS 25 2.216 0.068 0.764 168 H TYR 26 H TYR 26 1.383 3.080 1.848 169 HA TYR 26 HA TYR 26 2.883 4.539 -0.220 170 1HB TYR 26 2HB TYR 26 0.639 5.573 0.138 171 2HB TYR 26 1HB TYR 26 1.067 5.838 1.822 172 HD1 TYR 26 HD1 TYR 26 1.804 7.947 2.379 173 HD2 TYR 26 HD2 TYR 26 2.472 6.532 -1.577 174 HE1 TYR 26 HE1 TYR 26 2.779 10.121 1.771 175 HE2 TYR 26 HE2 TYR 26 3.452 8.701 -2.193 176 HH TYR 26 HH TYR 26 4.651 10.636 -0.829 177 H ASN 27 H ASN 27 4.707 5.563 0.469 178 HA ASN 27 HA ASN 27 5.363 5.849 3.256 179 1HB ASN 27 2HB ASN 27 5.858 3.465 2.969 180 2HB ASN 27 1HB ASN 27 6.896 3.826 1.598 181 1HD2 ASN 27 1HD2 ASN 27 8.836 3.234 2.310 182 2HD2 ASN 27 2HD2 ASN 27 9.598 3.828 3.738 183 H GLY 28 H GLY 28 5.278 7.948 2.114 184 1HA GLY 28 2HA GLY 28 6.555 9.834 1.586 185 2HA GLY 28 1HA GLY 28 7.958 8.787 1.367 186 H ILE 29 H ILE 29 7.076 6.975 -0.363 187 HA ILE 29 HA ILE 29 6.274 8.460 -2.769 188 HB ILE 29 HB ILE 29 7.683 6.882 -4.081 189 1HG1 ILE 29 2HG1 ILE 29 8.813 6.092 -1.385 190 2HG1 ILE 29 1HG1 ILE 29 7.770 5.079 -2.376 191 1HG2 ILE 29 1HG2 ILE 29 8.609 9.019 -2.374 192 2HG2 ILE 29 2HG2 ILE 29 9.022 8.655 -4.050 193 3HG2 ILE 29 3HG2 ILE 29 9.902 7.876 -2.736 194 1HD1 ILE 29 1HD1 ILE 29 9.496 4.348 -3.549 195 2HD1 ILE 29 2HD1 ILE 29 10.547 5.186 -2.407 196 3HD1 ILE 29 3HD1 ILE 29 10.037 5.991 -3.892 197 HA PRO 30 HA PRO 30 3.084 5.432 -3.122 198 1HB PRO 30 2HB PRO 30 3.532 5.200 -6.018 199 2HB PRO 30 1HB PRO 30 2.137 5.850 -5.152 200 1HG PRO 30 2HG PRO 30 3.829 7.433 -6.524 201 2HG PRO 30 1HG PRO 30 3.027 7.972 -5.037 202 1HD PRO 30 2HD PRO 30 5.833 7.003 -5.435 203 2HD PRO 30 1HD PRO 30 5.236 8.344 -4.434 Start of MODEL 4 1 H CYS 1 H CYS 1 3.416 3.094 -2.631 2 HA CYS 1 HA CYS 1 5.530 1.599 -3.946 3 1HB CYS 1 2HB CYS 1 3.631 1.010 -1.725 4 2HB CYS 1 1HB CYS 1 4.428 -0.310 -2.555 5 H ALA 2 H ALA 2 5.013 -0.535 -4.895 6 HA ALA 2 HA ALA 2 2.812 -0.201 -6.754 7 1HB ALA 2 1HB ALA 2 4.860 -0.743 -7.803 8 2HB ALA 2 2HB ALA 2 3.867 -2.198 -7.885 9 3HB ALA 2 3HB ALA 2 5.159 -2.078 -6.691 10 H GLU 3 H GLU 3 1.832 -0.689 -4.289 11 HA GLU 3 HA GLU 3 0.537 -3.261 -4.687 12 1HB GLU 3 2HB GLU 3 2.098 -2.535 -2.218 13 2HB GLU 3 1HB GLU 3 0.751 -3.658 -2.144 14 1HG GLU 3 2HG GLU 3 1.930 -5.039 -3.866 15 2HG GLU 3 1HG GLU 3 3.316 -3.971 -3.673 16 H SER 4 H SER 4 -1.529 -3.293 -4.028 17 HA SER 4 HA SER 4 -2.542 -0.877 -2.701 18 1HB SER 4 2HB SER 4 -4.760 -1.805 -3.870 19 2HB SER 4 1HB SER 4 -3.644 -0.729 -4.705 20 HG SER 4 HG SER 4 -3.005 -2.333 -5.957 21 H CYS 5 H CYS 5 -3.307 -1.225 -0.744 22 HA CYS 5 HA CYS 5 -3.545 -3.947 0.192 23 1HB CYS 5 2HB CYS 5 -3.935 -2.823 2.423 24 2HB CYS 5 1HB CYS 5 -2.385 -2.509 1.654 25 H VAL 6 H VAL 6 -5.557 -2.251 -1.496 26 HA VAL 6 HA VAL 6 -7.962 -1.750 -0.521 27 HB VAL 6 HB VAL 6 -7.637 -3.607 -2.878 28 1HG1 VAL 6 1HG1 VAL 6 -9.904 -2.303 -1.688 29 2HG1 VAL 6 2HG1 VAL 6 -9.845 -3.441 -3.036 30 3HG1 VAL 6 3HG1 VAL 6 -9.648 -1.714 -3.331 31 1HG2 VAL 6 1HG2 VAL 6 -6.240 -1.395 -2.751 32 2HG2 VAL 6 2HG2 VAL 6 -7.784 -0.642 -3.151 33 3HG2 VAL 6 3HG2 VAL 6 -7.079 -1.842 -4.236 34 H TYR 7 H TYR 7 -6.903 -5.115 -1.080 35 HA TYR 7 HA TYR 7 -8.995 -5.959 0.811 36 1HB TYR 7 2HB TYR 7 -8.405 -6.965 -1.922 37 2HB TYR 7 1HB TYR 7 -8.821 -8.154 -0.697 38 HD1 TYR 7 HD1 TYR 7 -10.091 -4.771 -1.702 39 HD2 TYR 7 HD2 TYR 7 -11.021 -8.813 -0.764 40 HE1 TYR 7 HE1 TYR 7 -12.475 -4.298 -2.061 41 HE2 TYR 7 HE2 TYR 7 -13.410 -8.352 -1.122 42 HH TYR 7 HH TYR 7 -14.709 -6.439 -2.636 43 H ILE 8 H ILE 8 -5.765 -5.758 0.362 44 HA ILE 8 HA ILE 8 -5.227 -7.848 2.305 45 HB ILE 8 HB ILE 8 -3.252 -8.673 0.852 46 1HG1 ILE 8 2HG1 ILE 8 -5.094 -7.679 -1.332 47 2HG1 ILE 8 1HG1 ILE 8 -3.531 -6.981 -0.926 48 1HG2 ILE 8 1HG2 ILE 8 -4.776 -10.345 -0.315 49 2HG2 ILE 8 2HG2 ILE 8 -6.110 -9.472 0.437 50 3HG2 ILE 8 3HG2 ILE 8 -4.879 -10.238 1.442 51 1HD1 ILE 8 1HD1 ILE 8 -3.540 -8.487 -2.912 52 2HD1 ILE 8 2HD1 ILE 8 -3.897 -9.826 -1.821 53 3HD1 ILE 8 3HD1 ILE 8 -2.386 -8.931 -1.654 54 HA PRO 9 HA PRO 9 -2.334 -4.781 3.635 55 1HB PRO 9 2HB PRO 9 -0.687 -6.425 5.094 56 2HB PRO 9 1HB PRO 9 -2.216 -5.766 5.678 57 1HG PRO 9 2HG PRO 9 -1.611 -8.472 4.572 58 2HG PRO 9 1HG PRO 9 -2.681 -8.022 5.911 59 1HD PRO 9 2HD PRO 9 -3.620 -8.652 3.459 60 2HD PRO 9 1HD PRO 9 -4.415 -7.457 4.503 61 H CYS 10 H CYS 10 -0.303 -4.041 3.191 62 HA CYS 10 HA CYS 10 0.968 -4.823 0.837 63 1HB CYS 10 2HB CYS 10 2.347 -3.366 3.091 64 2HB CYS 10 1HB CYS 10 2.594 -3.172 1.358 65 H THR 11 H THR 11 2.561 -6.265 0.368 66 HA THR 11 HA THR 11 3.614 -7.797 2.654 67 HB THR 11 HB THR 11 3.416 -8.696 -0.224 68 HG1 THR 11 HG1 THR 11 1.394 -8.312 1.157 69 1HG2 THR 11 1HG2 THR 11 4.972 -9.706 1.811 70 2HG2 THR 11 2HG2 THR 11 4.429 -10.603 0.393 71 3HG2 THR 11 3HG2 THR 11 3.517 -10.700 1.900 72 H VAL 12 H VAL 12 4.735 -7.268 -0.710 73 HA VAL 12 HA VAL 12 7.477 -7.507 -0.042 74 HB VAL 12 HB VAL 12 6.474 -5.909 -2.390 75 1HG1 VAL 12 1HG1 VAL 12 8.486 -7.263 -3.396 76 2HG1 VAL 12 2HG1 VAL 12 8.964 -7.385 -1.703 77 3HG1 VAL 12 3HG1 VAL 12 8.756 -5.800 -2.449 78 1HG2 VAL 12 1HG2 VAL 12 6.899 -8.684 -3.036 79 2HG2 VAL 12 2HG2 VAL 12 5.511 -7.648 -3.369 80 3HG2 VAL 12 3HG2 VAL 12 5.626 -8.501 -1.829 81 H THR 13 H THR 13 5.454 -4.756 -0.771 82 HA THR 13 HA THR 13 7.368 -2.760 -0.286 83 HB THR 13 HB THR 13 5.416 -1.234 -0.301 84 HG1 THR 13 HG1 THR 13 3.842 -3.575 -0.718 85 1HG2 THR 13 1HG2 THR 13 4.507 -2.408 -2.580 86 2HG2 THR 13 2HG2 THR 13 6.052 -3.232 -2.368 87 3HG2 THR 13 3HG2 THR 13 5.999 -1.473 -2.474 88 H ALA 14 H ALA 14 5.730 -4.770 1.882 89 HA ALA 14 HA ALA 14 5.402 -2.966 4.059 90 1HB ALA 14 1HB ALA 14 5.955 -5.791 4.702 91 2HB ALA 14 2HB ALA 14 4.577 -5.505 3.637 92 3HB ALA 14 3HB ALA 14 4.636 -4.744 5.228 93 H LEU 15 H LEU 15 7.969 -4.964 2.806 94 HA LEU 15 HA LEU 15 9.768 -4.666 4.984 95 1HB LEU 15 2HB LEU 15 9.962 -6.448 3.278 96 2HB LEU 15 1HB LEU 15 10.343 -5.234 2.073 97 HG LEU 15 HG LEU 15 12.398 -4.664 3.353 98 1HD1 LEU 15 1HD1 LEU 15 13.090 -6.564 4.977 99 2HD1 LEU 15 2HD1 LEU 15 11.353 -6.836 5.119 100 3HD1 LEU 15 3HD1 LEU 15 12.040 -5.269 5.552 101 1HD2 LEU 15 1HD2 LEU 15 12.342 -7.600 2.726 102 2HD2 LEU 15 2HD2 LEU 15 13.666 -6.454 2.518 103 3HD2 LEU 15 3HD2 LEU 15 12.254 -6.368 1.466 104 H LEU 16 H LEU 16 8.842 -2.749 2.290 105 HA LEU 16 HA LEU 16 11.109 -0.958 2.404 106 1HB LEU 16 2HB LEU 16 8.453 -0.525 1.037 107 2HB LEU 16 1HB LEU 16 9.938 0.356 0.745 108 HG LEU 16 HG LEU 16 9.484 -2.561 0.108 109 1HD1 LEU 16 1HD1 LEU 16 8.299 -1.504 -1.540 110 2HD1 LEU 16 2HD1 LEU 16 9.909 -1.511 -2.259 111 3HD1 LEU 16 3HD1 LEU 16 9.298 -0.051 -1.480 112 1HD2 LEU 16 1HD2 LEU 16 11.809 -2.066 0.713 113 2HD2 LEU 16 2HD2 LEU 16 11.842 -0.778 -0.492 114 3HD2 LEU 16 3HD2 LEU 16 11.647 -2.455 -1.000 115 H GLY 17 H GLY 17 8.134 -1.338 4.009 116 1HA GLY 17 2HA GLY 17 7.688 -0.177 6.045 117 2HA GLY 17 1HA GLY 17 8.560 1.208 5.408 118 H CYS 18 H CYS 18 6.630 -0.009 2.982 119 HA CYS 18 HA CYS 18 4.913 2.235 3.043 120 1HB CYS 18 2HB CYS 18 5.180 -0.144 1.316 121 2HB CYS 18 1HB CYS 18 3.624 0.674 1.306 122 H SER 19 H SER 19 3.244 2.597 4.193 123 HA SER 19 HA SER 19 1.874 0.386 5.520 124 1HB SER 19 2HB SER 19 1.689 3.369 6.016 125 2HB SER 19 1HB SER 19 0.965 2.103 7.009 126 HG SER 19 HG SER 19 3.741 2.139 6.500 127 H CYS 20 H CYS 20 -0.432 0.312 5.559 128 HA CYS 20 HA CYS 20 -1.599 0.794 3.013 129 1HB CYS 20 2HB CYS 20 -2.207 -1.131 4.456 130 2HB CYS 20 1HB CYS 20 -2.934 -0.016 5.607 131 H SER 21 H SER 21 -2.432 2.635 2.310 132 HA SER 21 HA SER 21 -3.914 4.361 4.139 133 1HB SER 21 2HB SER 21 -1.649 5.367 2.390 134 2HB SER 21 1HB SER 21 -2.720 6.372 3.366 135 HG SER 21 HG SER 21 -1.634 4.427 4.876 136 H ASN 22 H ASN 22 -5.811 4.689 3.206 137 HA ASN 22 HA ASN 22 -7.462 4.939 1.663 138 1HB ASN 22 2HB ASN 22 -5.213 6.034 -0.043 139 2HB ASN 22 1HB ASN 22 -6.926 6.160 -0.422 140 1HD2 ASN 22 1HD2 ASN 22 -4.440 7.866 0.673 141 2HD2 ASN 22 2HD2 ASN 22 -5.249 8.981 1.715 142 H ARG 23 H ARG 23 -6.152 2.475 1.884 143 HA ARG 23 HA ARG 23 -6.165 0.404 0.983 144 1HB ARG 23 2HB ARG 23 -7.681 1.743 -1.260 145 2HB ARG 23 1HB ARG 23 -7.443 0.007 -1.117 146 1HG ARG 23 2HG ARG 23 -8.671 -0.002 0.988 147 2HG ARG 23 1HG ARG 23 -8.884 1.747 0.878 148 1HD ARG 23 2HD ARG 23 -10.119 1.436 -1.232 149 2HD ARG 23 1HD ARG 23 -9.944 -0.309 -1.060 150 HE ARG 23 HE ARG 23 -11.856 1.358 0.229 151 1HH1 ARG 23 1HH1 ARG 23 -9.978 -1.574 0.661 152 2HH1 ARG 23 2HH1 ARG 23 -11.065 -2.250 1.825 153 1HH2 ARG 23 1HH2 ARG 23 -13.292 0.459 1.769 154 2HH2 ARG 23 2HH2 ARG 23 -12.950 -1.094 2.454 155 H VAL 24 H VAL 24 -4.144 2.587 0.228 156 HA VAL 24 HA VAL 24 -2.791 1.001 -1.846 157 HB VAL 24 HB VAL 24 -2.753 4.028 -1.692 158 1HG1 VAL 24 1HG1 VAL 24 -1.075 4.049 -3.172 159 2HG1 VAL 24 2HG1 VAL 24 -1.768 2.731 -4.116 160 3HG1 VAL 24 3HG1 VAL 24 -0.808 2.376 -2.680 161 1HG2 VAL 24 1HG2 VAL 24 -4.155 2.169 -3.603 162 2HG2 VAL 24 2HG2 VAL 24 -3.887 3.882 -3.926 163 3HG2 VAL 24 3HG2 VAL 24 -4.877 3.388 -2.553 164 H CYS 25 H CYS 25 -0.608 0.676 -1.481 165 HA CYS 25 HA CYS 25 0.326 1.245 1.181 166 1HB CYS 25 2HB CYS 25 1.763 -0.059 -1.141 167 2HB CYS 25 1HB CYS 25 2.264 -0.099 0.546 168 H TYR 26 H TYR 26 1.364 3.025 1.779 169 HA TYR 26 HA TYR 26 3.062 4.432 -0.168 170 1HB TYR 26 2HB TYR 26 0.825 5.486 -0.152 171 2HB TYR 26 1HB TYR 26 0.976 5.758 1.578 172 HD1 TYR 26 HD1 TYR 26 2.806 6.492 -1.596 173 HD2 TYR 26 HD2 TYR 26 1.700 7.833 2.286 174 HE1 TYR 26 HE1 TYR 26 3.871 8.661 -2.048 175 HE2 TYR 26 HE2 TYR 26 2.762 10.006 1.844 176 HH TYR 26 HH TYR 26 4.881 10.533 -0.697 177 H ASN 27 H ASN 27 4.810 5.449 0.661 178 HA ASN 27 HA ASN 27 5.164 5.960 3.462 179 1HB ASN 27 2HB ASN 27 5.656 3.622 3.602 180 2HB ASN 27 1HB ASN 27 6.685 3.682 2.177 181 1HD2 ASN 27 1HD2 ASN 27 8.653 3.236 2.838 182 2HD2 ASN 27 2HD2 ASN 27 9.457 3.942 4.185 183 H GLY 28 H GLY 28 5.278 7.956 2.202 184 1HA GLY 28 2HA GLY 28 6.682 9.756 1.676 185 2HA GLY 28 1HA GLY 28 8.047 8.638 1.608 186 H ILE 29 H ILE 29 7.289 6.772 -0.088 187 HA ILE 29 HA ILE 29 6.655 8.169 -2.595 188 HB ILE 29 HB ILE 29 8.128 6.802 -3.835 189 1HG1 ILE 29 2HG1 ILE 29 7.614 4.669 -2.593 190 2HG1 ILE 29 1HG1 ILE 29 9.296 4.864 -3.062 191 1HG2 ILE 29 1HG2 ILE 29 10.288 6.950 -2.163 192 2HG2 ILE 29 2HG2 ILE 29 9.188 8.150 -1.484 193 3HG2 ILE 29 3HG2 ILE 29 9.674 8.257 -3.176 194 1HD1 ILE 29 1HD1 ILE 29 8.673 3.978 -0.702 195 2HD1 ILE 29 2HD1 ILE 29 8.436 5.686 -0.332 196 3HD1 ILE 29 3HD1 ILE 29 10.007 5.116 -0.897 197 HA PRO 30 HA PRO 30 3.362 5.249 -2.858 198 1HB PRO 30 2HB PRO 30 3.422 5.272 -5.757 199 2HB PRO 30 1HB PRO 30 2.276 6.063 -4.674 200 1HG PRO 30 2HG PRO 30 4.065 7.422 -6.221 201 2HG PRO 30 1HG PRO 30 3.432 8.038 -4.684 202 1HD PRO 30 2HD PRO 30 6.060 6.720 -5.261 203 2HD PRO 30 1HD PRO 30 5.701 8.110 -4.212 Start of MODEL 5 1 H CYS 1 H CYS 1 3.458 3.147 -2.738 2 HA CYS 1 HA CYS 1 5.623 1.613 -3.928 3 1HB CYS 1 2HB CYS 1 3.659 1.087 -1.738 4 2HB CYS 1 1HB CYS 1 4.488 -0.252 -2.504 5 H ALA 2 H ALA 2 5.132 -0.544 -4.835 6 HA ALA 2 HA ALA 2 2.950 -0.277 -6.732 7 1HB ALA 2 1HB ALA 2 5.526 -1.130 -7.021 8 2HB ALA 2 2HB ALA 2 4.220 -1.437 -8.166 9 3HB ALA 2 3HB ALA 2 4.639 -2.653 -6.961 10 H GLU 3 H GLU 3 1.961 -0.741 -4.244 11 HA GLU 3 HA GLU 3 0.677 -3.319 -4.629 12 1HB GLU 3 2HB GLU 3 2.249 -2.595 -2.166 13 2HB GLU 3 1HB GLU 3 0.908 -3.720 -2.084 14 1HG GLU 3 2HG GLU 3 2.108 -5.072 -3.853 15 2HG GLU 3 1HG GLU 3 3.497 -4.025 -3.572 16 H SER 4 H SER 4 -1.399 -3.345 -3.974 17 HA SER 4 HA SER 4 -2.415 -0.937 -2.626 18 1HB SER 4 2HB SER 4 -4.642 -1.775 -3.754 19 2HB SER 4 1HB SER 4 -3.478 -0.843 -4.691 20 HG SER 4 HG SER 4 -3.178 -2.515 -5.925 21 H CYS 5 H CYS 5 -3.432 -1.281 -0.714 22 HA CYS 5 HA CYS 5 -3.469 -4.042 0.190 23 1HB CYS 5 2HB CYS 5 -3.870 -3.083 2.439 24 2HB CYS 5 1HB CYS 5 -2.409 -2.478 1.668 25 H VAL 6 H VAL 6 -5.606 -2.197 -1.368 26 HA VAL 6 HA VAL 6 -8.020 -2.063 -0.234 27 HB VAL 6 HB VAL 6 -7.689 -3.362 -2.935 28 1HG1 VAL 6 1HG1 VAL 6 -9.753 -1.557 -3.067 29 2HG1 VAL 6 2HG1 VAL 6 -9.925 -2.233 -1.448 30 3HG1 VAL 6 3HG1 VAL 6 -9.919 -3.299 -2.852 31 1HG2 VAL 6 1HG2 VAL 6 -6.939 -1.466 -3.854 32 2HG2 VAL 6 2HG2 VAL 6 -6.488 -1.011 -2.210 33 3HG2 VAL 6 3HG2 VAL 6 -8.021 -0.462 -2.888 34 H TYR 7 H TYR 7 -6.737 -5.107 -1.571 35 HA TYR 7 HA TYR 7 -8.969 -6.532 -0.329 36 1HB TYR 7 2HB TYR 7 -6.973 -7.365 -2.429 37 2HB TYR 7 1HB TYR 7 -8.114 -8.480 -1.692 38 HD1 TYR 7 HD1 TYR 7 -10.098 -8.866 -2.793 39 HD2 TYR 7 HD2 TYR 7 -8.108 -5.160 -3.426 40 HE1 TYR 7 HE1 TYR 7 -11.786 -8.252 -4.473 41 HE2 TYR 7 HE2 TYR 7 -9.794 -4.534 -5.104 42 HH TYR 7 HH TYR 7 -12.714 -6.128 -5.461 43 H ILE 8 H ILE 8 -5.544 -6.077 0.028 44 HA ILE 8 HA ILE 8 -5.524 -7.708 2.420 45 HB ILE 8 HB ILE 8 -3.393 -8.923 1.572 46 1HG1 ILE 8 2HG1 ILE 8 -4.787 -8.438 -1.068 47 2HG1 ILE 8 1HG1 ILE 8 -3.266 -7.703 -0.573 48 1HG2 ILE 8 1HG2 ILE 8 -4.980 -10.691 0.414 49 2HG2 ILE 8 2HG2 ILE 8 -6.225 -9.656 1.115 50 3HG2 ILE 8 3HG2 ILE 8 -5.009 -10.401 2.154 51 1HD1 ILE 8 1HD1 ILE 8 -2.578 -10.241 -0.265 52 2HD1 ILE 8 2HD1 ILE 8 -2.461 -9.414 -1.817 53 3HD1 ILE 8 3HD1 ILE 8 -3.839 -10.460 -1.477 54 HA PRO 9 HA PRO 9 -2.542 -4.727 3.726 55 1HB PRO 9 2HB PRO 9 -1.128 -6.960 5.070 56 2HB PRO 9 1HB PRO 9 -1.786 -5.469 5.753 57 1HG PRO 9 2HG PRO 9 -2.999 -7.810 6.156 58 2HG PRO 9 1HG PRO 9 -3.935 -6.327 5.895 59 1HD PRO 9 2HD PRO 9 -3.348 -8.560 3.991 60 2HD PRO 9 1HD PRO 9 -4.849 -7.639 4.219 61 H CYS 10 H CYS 10 -0.497 -3.989 3.286 62 HA CYS 10 HA CYS 10 0.798 -4.780 0.977 63 1HB CYS 10 2HB CYS 10 2.105 -3.353 3.299 64 2HB CYS 10 1HB CYS 10 2.521 -3.222 1.593 65 H THR 11 H THR 11 2.454 -6.156 0.491 66 HA THR 11 HA THR 11 3.511 -7.735 2.741 67 HB THR 11 HB THR 11 3.149 -8.659 -0.116 68 HG1 THR 11 HG1 THR 11 1.233 -8.289 1.444 69 1HG2 THR 11 1HG2 THR 11 4.626 -9.714 2.118 70 2HG2 THR 11 2HG2 THR 11 4.518 -10.323 0.466 71 3HG2 THR 11 3HG2 THR 11 3.328 -10.820 1.670 72 H VAL 12 H VAL 12 4.450 -7.238 -0.680 73 HA VAL 12 HA VAL 12 7.212 -7.479 -0.181 74 HB VAL 12 HB VAL 12 5.990 -5.893 -2.442 75 1HG1 VAL 12 1HG1 VAL 12 8.655 -6.548 -1.751 76 2HG1 VAL 12 2HG1 VAL 12 8.066 -5.707 -3.185 77 3HG1 VAL 12 3HG1 VAL 12 8.235 -7.462 -3.201 78 1HG2 VAL 12 1HG2 VAL 12 6.671 -8.676 -3.004 79 2HG2 VAL 12 2HG2 VAL 12 5.258 -7.730 -3.477 80 3HG2 VAL 12 3HG2 VAL 12 5.322 -8.483 -1.882 81 H THR 13 H THR 13 5.229 -4.616 -0.780 82 HA THR 13 HA THR 13 7.317 -2.772 -0.272 83 HB THR 13 HB THR 13 5.645 -1.060 -0.439 84 HG1 THR 13 HG1 THR 13 3.668 -3.121 -0.386 85 1HG2 THR 13 1HG2 THR 13 5.719 -3.323 -2.314 86 2HG2 THR 13 2HG2 THR 13 5.956 -1.601 -2.607 87 3HG2 THR 13 3HG2 THR 13 4.323 -2.260 -2.495 88 H ALA 14 H ALA 14 5.640 -4.724 1.844 89 HA ALA 14 HA ALA 14 5.331 -2.927 4.036 90 1HB ALA 14 1HB ALA 14 4.057 -4.916 4.177 91 2HB ALA 14 2HB ALA 14 5.314 -5.076 5.403 92 3HB ALA 14 3HB ALA 14 5.465 -5.932 3.869 93 H LEU 15 H LEU 15 7.866 -4.936 2.726 94 HA LEU 15 HA LEU 15 9.683 -4.684 4.900 95 1HB LEU 15 2HB LEU 15 10.009 -5.431 2.005 96 2HB LEU 15 1HB LEU 15 11.404 -5.227 3.044 97 HG LEU 15 HG LEU 15 10.421 -6.994 4.554 98 1HD1 LEU 15 1HD1 LEU 15 8.813 -8.112 2.386 99 2HD1 LEU 15 2HD1 LEU 15 8.141 -6.647 3.103 100 3HD1 LEU 15 3HD1 LEU 15 8.497 -8.044 4.119 101 1HD2 LEU 15 1HD2 LEU 15 11.487 -8.670 3.411 102 2HD2 LEU 15 2HD2 LEU 15 12.139 -7.249 2.595 103 3HD2 LEU 15 3HD2 LEU 15 10.833 -8.171 1.850 104 H LEU 16 H LEU 16 8.745 -2.717 2.258 105 HA LEU 16 HA LEU 16 11.029 -0.949 2.377 106 1HB LEU 16 2HB LEU 16 8.368 -0.501 1.022 107 2HB LEU 16 1HB LEU 16 9.847 0.395 0.741 108 HG LEU 16 HG LEU 16 9.420 -2.517 0.068 109 1HD1 LEU 16 1HD1 LEU 16 8.600 -1.854 -1.879 110 2HD1 LEU 16 2HD1 LEU 16 10.011 -0.836 -2.163 111 3HD1 LEU 16 3HD1 LEU 16 8.618 -0.190 -1.296 112 1HD2 LEU 16 1HD2 LEU 16 11.766 -1.747 0.715 113 2HD2 LEU 16 2HD2 LEU 16 11.727 -0.784 -0.763 114 3HD2 LEU 16 3HD2 LEU 16 11.578 -2.539 -0.850 115 H GLY 17 H GLY 17 8.035 -1.320 3.958 116 1HA GLY 17 2HA GLY 17 7.560 -0.210 6.006 117 2HA GLY 17 1HA GLY 17 8.504 1.163 5.447 118 H CYS 18 H CYS 18 6.418 -0.111 3.076 119 HA CYS 18 HA CYS 18 4.848 2.274 3.108 120 1HB CYS 18 2HB CYS 18 5.063 -0.082 1.333 121 2HB CYS 18 1HB CYS 18 3.531 0.778 1.326 122 H SER 19 H SER 19 2.994 2.677 4.012 123 HA SER 19 HA SER 19 1.690 0.552 5.531 124 1HB SER 19 2HB SER 19 0.509 2.504 6.623 125 2HB SER 19 1HB SER 19 2.259 2.473 6.838 126 HG SER 19 HG SER 19 2.447 4.226 5.663 127 H CYS 20 H CYS 20 -0.630 0.437 5.611 128 HA CYS 20 HA CYS 20 -1.841 0.510 3.010 129 1HB CYS 20 2HB CYS 20 -2.261 -1.329 4.597 130 2HB CYS 20 1HB CYS 20 -3.002 -0.195 5.718 131 H SER 21 H SER 21 -1.468 2.957 2.977 132 HA SER 21 HA SER 21 -3.516 4.446 4.429 133 1HB SER 21 2HB SER 21 -1.239 5.399 2.675 134 2HB SER 21 1HB SER 21 -2.333 6.445 3.581 135 HG SER 21 HG SER 21 -0.290 4.761 4.510 136 H ASN 22 H ASN 22 -5.394 4.929 3.523 137 HA ASN 22 HA ASN 22 -7.064 5.191 2.002 138 1HB ASN 22 2HB ASN 22 -4.730 6.291 0.449 139 2HB ASN 22 1HB ASN 22 -6.356 6.264 -0.217 140 1HD2 ASN 22 1HD2 ASN 22 -6.973 6.638 2.907 141 2HD2 ASN 22 2HD2 ASN 22 -6.937 8.357 3.043 142 H ARG 23 H ARG 23 -5.902 2.633 2.179 143 HA ARG 23 HA ARG 23 -6.096 0.580 1.233 144 1HB ARG 23 2HB ARG 23 -7.746 2.239 -0.588 145 2HB ARG 23 1HB ARG 23 -7.261 0.662 -1.175 146 1HG ARG 23 2HG ARG 23 -9.528 1.040 0.114 147 2HG ARG 23 1HG ARG 23 -8.606 -0.450 0.267 148 1HD ARG 23 2HD ARG 23 -8.141 1.805 2.176 149 2HD ARG 23 1HD ARG 23 -9.529 0.742 2.391 150 HE ARG 23 HE ARG 23 -6.857 0.162 3.078 151 1HH1 ARG 23 1HH1 ARG 23 -9.688 -1.373 1.686 152 2HH1 ARG 23 2HH1 ARG 23 -9.190 -2.976 2.119 153 1HH2 ARG 23 1HH2 ARG 23 -6.220 -1.945 3.678 154 2HH2 ARG 23 2HH2 ARG 23 -7.220 -3.299 3.258 155 H VAL 24 H VAL 24 -3.870 2.586 0.465 156 HA VAL 24 HA VAL 24 -2.717 0.796 -1.527 157 HB VAL 24 HB VAL 24 -3.618 2.658 -2.840 158 1HG1 VAL 24 1HG1 VAL 24 -3.274 4.306 -0.863 159 2HG1 VAL 24 2HG1 VAL 24 -3.147 4.886 -2.524 160 3HG1 VAL 24 3HG1 VAL 24 -1.686 4.556 -1.591 161 1HG2 VAL 24 1HG2 VAL 24 -1.881 2.597 -4.243 162 2HG2 VAL 24 2HG2 VAL 24 -1.115 1.584 -3.019 163 3HG2 VAL 24 3HG2 VAL 24 -0.783 3.316 -3.065 164 H CYS 25 H CYS 25 -0.546 0.502 -1.314 165 HA CYS 25 HA CYS 25 0.548 1.180 1.227 166 1HB CYS 25 2HB CYS 25 1.895 -0.136 -1.136 167 2HB CYS 25 1HB CYS 25 2.399 -0.221 0.549 168 H TYR 26 H TYR 26 1.388 3.077 1.696 169 HA TYR 26 HA TYR 26 3.123 4.411 -0.275 170 1HB TYR 26 2HB TYR 26 0.757 5.498 1.130 171 2HB TYR 26 1HB TYR 26 2.161 6.546 1.061 172 HD1 TYR 26 HD1 TYR 26 0.578 4.218 -1.417 173 HD2 TYR 26 HD2 TYR 26 1.869 8.171 -0.524 174 HE1 TYR 26 HE1 TYR 26 -0.061 4.933 -3.680 175 HE2 TYR 26 HE2 TYR 26 1.234 8.896 -2.784 176 HH TYR 26 HH TYR 26 -0.719 7.100 -4.807 177 H ASN 27 H ASN 27 4.821 5.568 0.535 178 HA ASN 27 HA ASN 27 5.284 5.920 3.348 179 1HB ASN 27 2HB ASN 27 5.875 3.551 3.140 180 2HB ASN 27 1HB ASN 27 6.977 3.919 1.825 181 1HD2 ASN 27 1HD2 ASN 27 8.833 3.286 2.710 182 2HD2 ASN 27 2HD2 ASN 27 9.509 3.938 4.151 183 H GLY 28 H GLY 28 5.171 7.975 2.077 184 1HA GLY 28 2HA GLY 28 6.403 9.894 1.556 185 2HA GLY 28 1HA GLY 28 7.863 8.906 1.489 186 H ILE 29 H ILE 29 7.196 6.967 -0.193 187 HA ILE 29 HA ILE 29 6.569 8.301 -2.736 188 HB ILE 29 HB ILE 29 8.031 6.609 -3.829 189 1HG1 ILE 29 2HG1 ILE 29 8.917 5.968 -1.004 190 2HG1 ILE 29 1HG1 ILE 29 7.930 4.917 -2.015 191 1HG2 ILE 29 1HG2 ILE 29 10.222 7.586 -2.924 192 2HG2 ILE 29 2HG2 ILE 29 9.197 8.525 -1.840 193 3HG2 ILE 29 3HG2 ILE 29 9.030 8.703 -3.586 194 1HD1 ILE 29 1HD1 ILE 29 10.469 5.778 -3.210 195 2HD1 ILE 29 2HD1 ILE 29 9.691 4.195 -3.198 196 3HD1 ILE 29 3HD1 ILE 29 10.606 4.739 -1.793 197 HA PRO 30 HA PRO 30 3.363 5.284 -3.078 198 1HB PRO 30 2HB PRO 30 3.620 5.208 -5.972 199 2HB PRO 30 1HB PRO 30 2.362 5.963 -4.993 200 1HG PRO 30 2HG PRO 30 4.161 7.388 -6.449 201 2HG PRO 30 1HG PRO 30 3.427 7.993 -4.954 202 1HD PRO 30 2HD PRO 30 6.134 6.783 -5.382 203 2HD PRO 30 1HD PRO 30 5.667 8.176 -4.381 Start of MODEL 6 1 H CYS 1 H CYS 1 3.148 3.327 -2.713 2 HA CYS 1 HA CYS 1 5.370 1.703 -3.644 3 1HB CYS 1 2HB CYS 1 3.098 0.892 -1.831 4 2HB CYS 1 1HB CYS 1 4.651 0.087 -2.031 5 H ALA 2 H ALA 2 5.046 -0.344 -4.714 6 HA ALA 2 HA ALA 2 2.937 -0.167 -6.662 7 1HB ALA 2 1HB ALA 2 5.311 -0.746 -7.223 8 2HB ALA 2 2HB ALA 2 4.097 -1.849 -7.873 9 3HB ALA 2 3HB ALA 2 5.035 -2.309 -6.453 10 H GLU 3 H GLU 3 1.796 -0.615 -4.221 11 HA GLU 3 HA GLU 3 0.519 -3.181 -4.687 12 1HB GLU 3 2HB GLU 3 1.950 -2.511 -2.120 13 2HB GLU 3 1HB GLU 3 0.664 -3.704 -2.195 14 1HG GLU 3 2HG GLU 3 2.008 -4.935 -3.891 15 2HG GLU 3 1HG GLU 3 3.318 -3.794 -3.598 16 H SER 4 H SER 4 -1.558 -3.245 -4.059 17 HA SER 4 HA SER 4 -2.627 -0.854 -2.729 18 1HB SER 4 2HB SER 4 -4.823 -1.853 -3.879 19 2HB SER 4 1HB SER 4 -3.740 -0.758 -4.733 20 HG SER 4 HG SER 4 -3.055 -2.364 -5.961 21 H CYS 5 H CYS 5 -3.357 -1.218 -0.759 22 HA CYS 5 HA CYS 5 -3.491 -3.932 0.199 23 1HB CYS 5 2HB CYS 5 -3.982 -2.754 2.417 24 2HB CYS 5 1HB CYS 5 -2.407 -2.500 1.680 25 H VAL 6 H VAL 6 -5.621 -2.217 -1.430 26 HA VAL 6 HA VAL 6 -8.038 -1.981 -0.298 27 HB VAL 6 HB VAL 6 -7.786 -3.480 -2.897 28 1HG1 VAL 6 1HG1 VAL 6 -10.040 -3.114 -1.907 29 2HG1 VAL 6 2HG1 VAL 6 -9.822 -2.376 -3.493 30 3HG1 VAL 6 3HG1 VAL 6 -9.765 -1.377 -2.042 31 1HG2 VAL 6 1HG2 VAL 6 -6.865 -1.753 -3.958 32 2HG2 VAL 6 2HG2 VAL 6 -6.445 -1.128 -2.363 33 3HG2 VAL 6 3HG2 VAL 6 -7.926 -0.593 -3.158 34 H TYR 7 H TYR 7 -6.664 -5.108 -1.293 35 HA TYR 7 HA TYR 7 -8.886 -6.422 0.119 36 1HB TYR 7 2HB TYR 7 -7.278 -7.271 -2.273 37 2HB TYR 7 1HB TYR 7 -8.159 -8.443 -1.304 38 HD1 TYR 7 HD1 TYR 7 -8.772 -5.150 -2.985 39 HD2 TYR 7 HD2 TYR 7 -10.272 -9.012 -2.016 40 HE1 TYR 7 HE1 TYR 7 -10.811 -4.676 -4.273 41 HE2 TYR 7 HE2 TYR 7 -12.316 -8.547 -3.303 42 HH TYR 7 HH TYR 7 -13.496 -5.948 -4.006 43 H ILE 8 H ILE 8 -5.519 -5.904 0.196 44 HA ILE 8 HA ILE 8 -5.214 -7.644 2.481 45 HB ILE 8 HB ILE 8 -3.092 -8.696 1.391 46 1HG1 ILE 8 2HG1 ILE 8 -4.790 -8.230 -1.069 47 2HG1 ILE 8 1HG1 ILE 8 -3.263 -7.427 -0.719 48 1HG2 ILE 8 1HG2 ILE 8 -4.199 -10.690 1.131 49 2HG2 ILE 8 2HG2 ILE 8 -5.618 -9.935 0.407 50 3HG2 ILE 8 3HG2 ILE 8 -5.325 -9.782 2.139 51 1HD1 ILE 8 1HD1 ILE 8 -3.764 -10.277 -1.462 52 2HD1 ILE 8 2HD1 ILE 8 -2.283 -9.801 -0.630 53 3HD1 ILE 8 3HD1 ILE 8 -2.675 -9.102 -2.202 54 HA PRO 9 HA PRO 9 -2.341 -4.479 3.599 55 1HB PRO 9 2HB PRO 9 -0.886 -6.600 5.065 56 2HB PRO 9 1HB PRO 9 -1.602 -5.102 5.669 57 1HG PRO 9 2HG PRO 9 -2.732 -7.469 6.173 58 2HG PRO 9 1HG PRO 9 -3.716 -6.028 5.850 59 1HD PRO 9 2HD PRO 9 -3.048 -8.316 4.036 60 2HD PRO 9 1HD PRO 9 -4.583 -7.443 4.231 61 H CYS 10 H CYS 10 -0.279 -3.758 3.160 62 HA CYS 10 HA CYS 10 1.020 -4.566 0.877 63 1HB CYS 10 2HB CYS 10 2.438 -3.254 3.196 64 2HB CYS 10 1HB CYS 10 2.715 -3.007 1.476 65 H THR 11 H THR 11 2.467 -6.143 0.369 66 HA THR 11 HA THR 11 3.476 -7.758 2.618 67 HB THR 11 HB THR 11 3.162 -8.603 -0.266 68 HG1 THR 11 HG1 THR 11 1.209 -8.125 1.203 69 1HG2 THR 11 1HG2 THR 11 3.138 -10.863 1.245 70 2HG2 THR 11 2HG2 THR 11 4.276 -9.865 2.149 71 3HG2 THR 11 3HG2 THR 11 4.572 -10.217 0.447 72 H VAL 12 H VAL 12 4.572 -7.202 -0.758 73 HA VAL 12 HA VAL 12 7.297 -7.674 -0.161 74 HB VAL 12 HB VAL 12 6.372 -5.895 -2.409 75 1HG1 VAL 12 1HG1 VAL 12 8.324 -6.465 -3.488 76 2HG1 VAL 12 2HG1 VAL 12 8.513 -7.967 -2.584 77 3HG1 VAL 12 3HG1 VAL 12 8.844 -6.421 -1.804 78 1HG2 VAL 12 1HG2 VAL 12 5.359 -8.451 -1.951 79 2HG2 VAL 12 2HG2 VAL 12 6.585 -8.652 -3.203 80 3HG2 VAL 12 3HG2 VAL 12 5.261 -7.509 -3.440 81 H THR 13 H THR 13 5.524 -4.730 -0.786 82 HA THR 13 HA THR 13 7.578 -2.918 -0.202 83 HB THR 13 HB THR 13 5.668 -1.270 -0.037 84 HG1 THR 13 HG1 THR 13 4.109 -3.538 -0.816 85 1HG2 THR 13 1HG2 THR 13 4.919 -1.858 -2.497 86 2HG2 THR 13 2HG2 THR 13 6.224 -3.038 -2.374 87 3HG2 THR 13 3HG2 THR 13 6.565 -1.322 -2.155 88 H ALA 14 H ALA 14 5.890 -4.924 1.893 89 HA ALA 14 HA ALA 14 5.606 -3.175 4.123 90 1HB ALA 14 1HB ALA 14 4.514 -4.919 4.963 91 2HB ALA 14 2HB ALA 14 6.008 -5.855 5.008 92 3HB ALA 14 3HB ALA 14 4.991 -5.883 3.567 93 H LEU 15 H LEU 15 8.174 -5.078 2.749 94 HA LEU 15 HA LEU 15 9.920 -4.963 5.017 95 1HB LEU 15 2HB LEU 15 10.572 -5.387 2.094 96 2HB LEU 15 1HB LEU 15 11.655 -5.693 3.438 97 HG LEU 15 HG LEU 15 9.071 -7.168 2.915 98 1HD1 LEU 15 1HD1 LEU 15 10.307 -8.924 2.047 99 2HD1 LEU 15 2HD1 LEU 15 11.819 -8.338 2.740 100 3HD1 LEU 15 3HD1 LEU 15 11.104 -7.510 1.357 101 1HD2 LEU 15 1HD2 LEU 15 10.563 -8.676 4.636 102 2HD2 LEU 15 2HD2 LEU 15 9.224 -7.627 5.100 103 3HD2 LEU 15 3HD2 LEU 15 10.884 -7.039 5.206 104 H LEU 16 H LEU 16 8.980 -2.924 2.487 105 HA LEU 16 HA LEU 16 11.240 -1.115 2.684 106 1HB LEU 16 2HB LEU 16 8.673 -1.040 1.097 107 2HB LEU 16 1HB LEU 16 9.851 0.253 1.068 108 HG LEU 16 HG LEU 16 10.067 -1.154 -0.892 109 1HD1 LEU 16 1HD1 LEU 16 12.463 -1.725 -0.702 110 2HD1 LEU 16 2HD1 LEU 16 12.360 -1.437 1.035 111 3HD1 LEU 16 3HD1 LEU 16 12.080 -0.113 -0.096 112 1HD2 LEU 16 1HD2 LEU 16 11.143 -3.507 -0.346 113 2HD2 LEU 16 2HD2 LEU 16 9.401 -3.283 -0.518 114 3HD2 LEU 16 3HD2 LEU 16 10.128 -3.347 1.088 115 H GLY 17 H GLY 17 8.346 -1.672 4.289 116 1HA GLY 17 2HA GLY 17 7.609 -0.548 6.206 117 2HA GLY 17 1HA GLY 17 8.590 0.836 5.746 118 H CYS 18 H CYS 18 6.538 -0.588 3.357 119 HA CYS 18 HA CYS 18 5.096 1.840 3.011 120 1HB CYS 18 2HB CYS 18 4.781 -0.902 1.811 121 2HB CYS 18 1HB CYS 18 3.721 0.440 1.398 122 H SER 19 H SER 19 3.344 2.521 3.996 123 HA SER 19 HA SER 19 1.845 0.607 5.631 124 1HB SER 19 2HB SER 19 1.880 3.635 5.746 125 2HB SER 19 1HB SER 19 1.049 2.564 6.876 126 HG SER 19 HG SER 19 3.840 2.416 6.409 127 H CYS 20 H CYS 20 -0.401 0.507 5.537 128 HA CYS 20 HA CYS 20 -1.520 0.971 2.949 129 1HB CYS 20 2HB CYS 20 -2.117 -1.000 4.301 130 2HB CYS 20 1HB CYS 20 -2.839 0.050 5.515 131 H SER 21 H SER 21 -2.465 2.772 2.259 132 HA SER 21 HA SER 21 -3.954 4.451 4.129 133 1HB SER 21 2HB SER 21 -1.797 5.537 2.292 134 2HB SER 21 1HB SER 21 -2.848 6.495 3.335 135 HG SER 21 HG SER 21 -1.671 4.605 4.805 136 H ASN 22 H ASN 22 -5.883 4.808 3.253 137 HA ASN 22 HA ASN 22 -7.587 4.984 1.759 138 1HB ASN 22 2HB ASN 22 -5.334 6.276 0.244 139 2HB ASN 22 1HB ASN 22 -6.915 6.075 -0.503 140 1HD2 ASN 22 1HD2 ASN 22 -7.778 8.037 -0.530 141 2HD2 ASN 22 2HD2 ASN 22 -7.920 9.090 0.833 142 H ARG 23 H ARG 23 -6.157 2.534 1.923 143 HA ARG 23 HA ARG 23 -6.231 0.462 1.026 144 1HB ARG 23 2HB ARG 23 -7.911 1.879 -1.016 145 2HB ARG 23 1HB ARG 23 -7.424 0.211 -1.265 146 1HG ARG 23 2HG ARG 23 -9.564 0.111 -0.319 147 2HG ARG 23 1HG ARG 23 -8.455 -0.287 0.993 148 1HD ARG 23 2HD ARG 23 -10.233 1.237 1.720 149 2HD ARG 23 1HD ARG 23 -8.636 1.971 1.863 150 HE ARG 23 HE ARG 23 -9.602 2.713 -0.614 151 1HH1 ARG 23 1HH1 ARG 23 -10.580 3.119 2.717 152 2HH1 ARG 23 2HH1 ARG 23 -11.336 4.655 2.450 153 1HH2 ARG 23 1HH2 ARG 23 -10.591 4.745 -0.984 154 2HH2 ARG 23 2HH2 ARG 23 -11.343 5.583 0.332 155 H VAL 24 H VAL 24 -4.264 2.715 0.182 156 HA VAL 24 HA VAL 24 -2.916 1.085 -1.868 157 HB VAL 24 HB VAL 24 -2.881 4.113 -1.752 158 1HG1 VAL 24 1HG1 VAL 24 -1.597 4.037 -3.774 159 2HG1 VAL 24 2HG1 VAL 24 -1.748 2.282 -3.860 160 3HG1 VAL 24 3HG1 VAL 24 -0.799 3.025 -2.572 161 1HG2 VAL 24 1HG2 VAL 24 -4.388 4.225 -3.479 162 2HG2 VAL 24 2HG2 VAL 24 -5.005 2.825 -2.603 163 3HG2 VAL 24 3HG2 VAL 24 -4.022 2.597 -4.049 164 H CYS 25 H CYS 25 -0.742 0.734 -1.484 165 HA CYS 25 HA CYS 25 0.196 1.375 1.153 166 1HB CYS 25 2HB CYS 25 1.603 0.021 -1.157 167 2HB CYS 25 1HB CYS 25 2.206 0.103 0.497 168 H TYR 26 H TYR 26 1.382 3.054 1.759 169 HA TYR 26 HA TYR 26 2.908 4.546 -0.260 170 1HB TYR 26 2HB TYR 26 0.676 5.607 0.057 171 2HB TYR 26 1HB TYR 26 1.052 5.823 1.760 172 HD1 TYR 26 HD1 TYR 26 1.779 7.915 2.386 173 HD2 TYR 26 HD2 TYR 26 2.594 6.574 -1.567 174 HE1 TYR 26 HE1 TYR 26 2.803 10.089 1.867 175 HE2 TYR 26 HE2 TYR 26 3.625 8.743 -2.096 176 HH TYR 26 HH TYR 26 4.770 10.623 -0.717 177 H ASN 27 H ASN 27 4.730 5.529 0.481 178 HA ASN 27 HA ASN 27 5.338 5.781 3.280 179 1HB ASN 27 2HB ASN 27 5.803 3.394 3.004 180 2HB ASN 27 1HB ASN 27 6.854 3.734 1.636 181 1HD2 ASN 27 1HD2 ASN 27 8.801 3.168 2.321 182 2HD2 ASN 27 2HD2 ASN 27 9.560 3.719 3.767 183 H GLY 28 H GLY 28 5.303 7.888 2.141 184 1HA GLY 28 2HA GLY 28 6.617 9.755 1.636 185 2HA GLY 28 1HA GLY 28 8.010 8.688 1.446 186 H ILE 29 H ILE 29 7.146 6.887 -0.301 187 HA ILE 29 HA ILE 29 6.425 8.381 -2.727 188 HB ILE 29 HB ILE 29 7.813 6.752 -4.002 189 1HG1 ILE 29 2HG1 ILE 29 8.876 5.953 -1.280 190 2HG1 ILE 29 1HG1 ILE 29 7.810 4.964 -2.271 191 1HG2 ILE 29 1HG2 ILE 29 9.245 8.447 -3.963 192 2HG2 ILE 29 2HG2 ILE 29 10.013 7.708 -2.558 193 3HG2 ILE 29 3HG2 ILE 29 8.735 8.901 -2.336 194 1HD1 ILE 29 1HD1 ILE 29 10.214 4.337 -2.374 195 2HD1 ILE 29 2HD1 ILE 29 10.533 5.889 -3.149 196 3HD1 ILE 29 3HD1 ILE 29 9.491 4.705 -3.940 197 HA PRO 30 HA PRO 30 3.152 5.447 -3.117 198 1HB PRO 30 2HB PRO 30 3.579 5.265 -6.016 199 2HB PRO 30 1HB PRO 30 2.215 5.951 -5.131 200 1HG PRO 30 2HG PRO 30 3.964 7.492 -6.482 201 2HG PRO 30 1HG PRO 30 3.184 8.035 -4.985 202 1HD PRO 30 2HD PRO 30 5.951 6.963 -5.402 203 2HD PRO 30 1HD PRO 30 5.408 8.314 -4.383 Start of MODEL 7 1 H CYS 1 H CYS 1 3.300 3.298 -2.697 2 HA CYS 1 HA CYS 1 5.484 1.597 -3.571 3 1HB CYS 1 2HB CYS 1 3.159 0.873 -1.796 4 2HB CYS 1 1HB CYS 1 4.707 0.045 -1.938 5 H ALA 2 H ALA 2 5.143 -0.429 -4.628 6 HA ALA 2 HA ALA 2 3.019 -0.265 -6.570 7 1HB ALA 2 1HB ALA 2 4.202 -2.300 -7.533 8 2HB ALA 2 2HB ALA 2 5.434 -2.022 -6.302 9 3HB ALA 2 3HB ALA 2 5.101 -0.783 -7.512 10 H GLU 3 H GLU 3 1.947 -0.752 -4.072 11 HA GLU 3 HA GLU 3 0.670 -3.315 -4.569 12 1HB GLU 3 2HB GLU 3 2.154 -2.714 -2.015 13 2HB GLU 3 1HB GLU 3 0.862 -3.899 -2.090 14 1HG GLU 3 2HG GLU 3 2.194 -5.059 -3.888 15 2HG GLU 3 1HG GLU 3 3.520 -3.972 -3.483 16 H SER 4 H SER 4 -1.418 -3.321 -4.029 17 HA SER 4 HA SER 4 -2.464 -0.953 -2.640 18 1HB SER 4 2HB SER 4 -4.672 -1.756 -3.699 19 2HB SER 4 1HB SER 4 -3.471 -1.036 -4.765 20 HG SER 4 HG SER 4 -3.594 -3.826 -4.328 21 H CYS 5 H CYS 5 -3.387 -1.237 -0.711 22 HA CYS 5 HA CYS 5 -3.422 -3.929 0.354 23 1HB CYS 5 2HB CYS 5 -4.016 -2.752 2.520 24 2HB CYS 5 1HB CYS 5 -2.450 -2.369 1.821 25 H VAL 6 H VAL 6 -5.559 -2.216 -1.359 26 HA VAL 6 HA VAL 6 -8.014 -2.097 -0.311 27 HB VAL 6 HB VAL 6 -7.564 -3.492 -2.946 28 1HG1 VAL 6 1HG1 VAL 6 -9.900 -3.008 -1.671 29 2HG1 VAL 6 2HG1 VAL 6 -9.724 -3.100 -3.424 30 3HG1 VAL 6 3HG1 VAL 6 -9.727 -1.531 -2.618 31 1HG2 VAL 6 1HG2 VAL 6 -6.388 -1.145 -2.353 32 2HG2 VAL 6 2HG2 VAL 6 -7.959 -0.574 -2.916 33 3HG2 VAL 6 3HG2 VAL 6 -6.958 -1.577 -3.966 34 H TYR 7 H TYR 7 -6.576 -5.163 -1.414 35 HA TYR 7 HA TYR 7 -8.833 -6.575 -0.185 36 1HB TYR 7 2HB TYR 7 -6.817 -7.453 -2.249 37 2HB TYR 7 1HB TYR 7 -7.955 -8.553 -1.485 38 HD1 TYR 7 HD1 TYR 7 -7.871 -5.364 -3.432 39 HD2 TYR 7 HD2 TYR 7 -10.021 -8.908 -2.475 40 HE1 TYR 7 HE1 TYR 7 -9.554 -4.794 -5.130 41 HE2 TYR 7 HE2 TYR 7 -11.709 -8.348 -4.171 42 HH TYR 7 HH TYR 7 -12.548 -6.213 -5.301 43 H ILE 8 H ILE 8 -5.446 -6.023 0.186 44 HA ILE 8 HA ILE 8 -5.366 -7.559 2.627 45 HB ILE 8 HB ILE 8 -3.218 -8.776 1.792 46 1HG1 ILE 8 2HG1 ILE 8 -4.711 -8.486 -0.821 47 2HG1 ILE 8 1HG1 ILE 8 -3.191 -7.693 -0.427 48 1HG2 ILE 8 1HG2 ILE 8 -4.846 -10.191 2.556 49 2HG2 ILE 8 2HG2 ILE 8 -4.733 -10.683 0.866 50 3HG2 ILE 8 3HG2 ILE 8 -6.043 -9.624 1.392 51 1HD1 ILE 8 1HD1 ILE 8 -3.321 -10.650 -0.221 52 2HD1 ILE 8 2HD1 ILE 8 -1.976 -9.602 -0.673 53 3HD1 ILE 8 3HD1 ILE 8 -3.275 -9.918 -1.824 54 HA PRO 9 HA PRO 9 -2.405 -4.507 3.747 55 1HB PRO 9 2HB PRO 9 -0.750 -6.041 5.335 56 2HB PRO 9 1HB PRO 9 -2.270 -5.321 5.868 57 1HG PRO 9 2HG PRO 9 -1.702 -8.110 4.962 58 2HG PRO 9 1HG PRO 9 -2.745 -7.549 6.282 59 1HD PRO 9 2HD PRO 9 -3.763 -8.344 3.934 60 2HD PRO 9 1HD PRO 9 -4.478 -6.999 4.847 61 H CYS 10 H CYS 10 -0.279 -3.831 3.394 62 HA CYS 10 HA CYS 10 0.970 -4.567 1.054 63 1HB CYS 10 2HB CYS 10 2.430 -3.392 3.419 64 2HB CYS 10 1HB CYS 10 2.729 -3.103 1.708 65 H THR 11 H THR 11 2.489 -6.046 0.464 66 HA THR 11 HA THR 11 3.498 -7.807 2.602 67 HB THR 11 HB THR 11 3.037 -8.541 -0.297 68 HG1 THR 11 HG1 THR 11 1.168 -8.133 1.315 69 1HG2 THR 11 1HG2 THR 11 4.803 -9.841 0.839 70 2HG2 THR 11 2HG2 THR 11 3.394 -10.830 0.453 71 3HG2 THR 11 3HG2 THR 11 3.652 -10.269 2.105 72 H VAL 12 H VAL 12 4.404 -7.188 -0.810 73 HA VAL 12 HA VAL 12 7.175 -7.555 -0.336 74 HB VAL 12 HB VAL 12 5.977 -5.897 -2.562 75 1HG1 VAL 12 1HG1 VAL 12 8.615 -7.210 -2.099 76 2HG1 VAL 12 2HG1 VAL 12 8.252 -5.599 -2.718 77 3HG1 VAL 12 3HG1 VAL 12 8.016 -7.012 -3.746 78 1HG2 VAL 12 1HG2 VAL 12 5.200 -7.697 -3.621 79 2HG2 VAL 12 2HG2 VAL 12 5.285 -8.498 -2.052 80 3HG2 VAL 12 3HG2 VAL 12 6.610 -8.668 -3.202 81 H THR 13 H THR 13 5.204 -4.667 -0.790 82 HA THR 13 HA THR 13 7.298 -2.829 -0.312 83 HB THR 13 HB THR 13 5.561 -1.129 -0.206 84 HG1 THR 13 HG1 THR 13 3.664 -3.254 -0.374 85 1HG2 THR 13 1HG2 THR 13 4.258 -2.147 -2.372 86 2HG2 THR 13 2HG2 THR 13 5.712 -3.144 -2.334 87 3HG2 THR 13 3HG2 THR 13 5.849 -1.388 -2.422 88 H ALA 14 H ALA 14 5.636 -4.852 1.811 89 HA ALA 14 HA ALA 14 5.508 -3.167 4.096 90 1HB ALA 14 1HB ALA 14 4.706 -5.759 3.537 91 2HB ALA 14 2HB ALA 14 4.597 -4.947 5.099 92 3HB ALA 14 3HB ALA 14 5.990 -5.963 4.728 93 H LEU 15 H LEU 15 7.934 -5.190 2.608 94 HA LEU 15 HA LEU 15 9.852 -5.045 4.706 95 1HB LEU 15 2HB LEU 15 9.886 -6.768 2.926 96 2HB LEU 15 1HB LEU 15 10.262 -5.526 1.751 97 HG LEU 15 HG LEU 15 12.396 -5.087 2.950 98 1HD1 LEU 15 1HD1 LEU 15 11.800 -5.846 5.160 99 2HD1 LEU 15 2HD1 LEU 15 13.176 -6.778 4.569 100 3HD1 LEU 15 3HD1 LEU 15 11.563 -7.490 4.568 101 1HD2 LEU 15 1HD2 LEU 15 12.653 -6.432 1.075 102 2HD2 LEU 15 2HD2 LEU 15 11.775 -7.780 1.799 103 3HD2 LEU 15 3HD2 LEU 15 13.401 -7.386 2.355 104 H LEU 16 H LEU 16 8.846 -2.992 2.158 105 HA LEU 16 HA LEU 16 11.183 -1.276 2.240 106 1HB LEU 16 2HB LEU 16 8.529 -0.891 0.850 107 2HB LEU 16 1HB LEU 16 9.958 0.096 0.616 108 HG LEU 16 HG LEU 16 9.731 -2.832 -0.087 109 1HD1 LEU 16 1HD1 LEU 16 8.513 -0.894 -1.432 110 2HD1 LEU 16 2HD1 LEU 16 9.283 -2.260 -2.238 111 3HD1 LEU 16 3HD1 LEU 16 10.125 -0.715 -2.122 112 1HD2 LEU 16 1HD2 LEU 16 11.993 -1.046 0.209 113 2HD2 LEU 16 2HD2 LEU 16 11.880 -1.705 -1.423 114 3HD2 LEU 16 3HD2 LEU 16 11.958 -2.792 -0.037 115 H GLY 17 H GLY 17 8.470 -1.689 4.119 116 1HA GLY 17 2HA GLY 17 7.893 -0.488 6.028 117 2HA GLY 17 1HA GLY 17 8.922 0.827 5.487 118 H CYS 18 H CYS 18 6.487 -0.624 3.458 119 HA CYS 18 HA CYS 18 5.196 1.929 3.114 120 1HB CYS 18 2HB CYS 18 4.684 -0.796 1.931 121 2HB CYS 18 1HB CYS 18 3.733 0.627 1.531 122 H SER 19 H SER 19 3.209 2.549 3.807 123 HA SER 19 HA SER 19 1.839 0.702 5.639 124 1HB SER 19 2HB SER 19 2.804 2.735 6.711 125 2HB SER 19 1HB SER 19 1.788 3.732 5.672 126 HG SER 19 HG SER 19 0.505 3.533 7.358 127 H CYS 20 H CYS 20 -0.413 0.579 5.562 128 HA CYS 20 HA CYS 20 -1.553 0.984 2.963 129 1HB CYS 20 2HB CYS 20 -2.130 -0.995 4.262 130 2HB CYS 20 1HB CYS 20 -2.768 0.007 5.558 131 H SER 21 H SER 21 -2.348 2.862 2.293 132 HA SER 21 HA SER 21 -4.016 4.445 4.090 133 1HB SER 21 2HB SER 21 -1.672 5.611 2.558 134 2HB SER 21 1HB SER 21 -2.852 6.534 3.489 135 HG SER 21 HG SER 21 -1.780 4.545 4.976 136 H ASN 22 H ASN 22 -5.814 5.050 3.045 137 HA ASN 22 HA ASN 22 -7.341 5.380 1.388 138 1HB ASN 22 2HB ASN 22 -4.843 6.278 -0.042 139 2HB ASN 22 1HB ASN 22 -6.416 6.294 -0.826 140 1HD2 ASN 22 1HD2 ASN 22 -7.267 6.876 2.199 141 2HD2 ASN 22 2HD2 ASN 22 -7.138 8.594 2.253 142 H ARG 23 H ARG 23 -6.220 2.816 1.810 143 HA ARG 23 HA ARG 23 -6.404 0.708 1.028 144 1HB ARG 23 2HB ARG 23 -7.754 2.069 -1.297 145 2HB ARG 23 1HB ARG 23 -7.627 0.324 -1.133 146 1HG ARG 23 2HG ARG 23 -8.874 2.017 1.006 147 2HG ARG 23 1HG ARG 23 -9.796 1.445 -0.384 148 1HD ARG 23 2HD ARG 23 -10.106 -0.062 1.481 149 2HD ARG 23 1HD ARG 23 -9.205 -0.872 0.203 150 HE ARG 23 HE ARG 23 -7.407 0.259 2.055 151 1HH1 ARG 23 1HH1 ARG 23 -9.709 -2.355 1.775 152 2HH1 ARG 23 2HH1 ARG 23 -8.889 -3.376 2.907 153 1HH2 ARG 23 1HH2 ARG 23 -6.317 -1.083 3.567 154 2HH2 ARG 23 2HH2 ARG 23 -6.965 -2.648 3.933 155 H VAL 24 H VAL 24 -4.192 2.722 0.070 156 HA VAL 24 HA VAL 24 -2.920 0.725 -1.657 157 HB VAL 24 HB VAL 24 -3.715 2.512 -3.139 158 1HG1 VAL 24 1HG1 VAL 24 -3.410 4.725 -2.837 159 2HG1 VAL 24 2HG1 VAL 24 -1.832 4.518 -2.078 160 3HG1 VAL 24 3HG1 VAL 24 -3.304 4.244 -1.144 161 1HG2 VAL 24 1HG2 VAL 24 -1.877 1.643 -4.138 162 2HG2 VAL 24 2HG2 VAL 24 -0.830 1.976 -2.758 163 3HG2 VAL 24 3HG2 VAL 24 -1.269 3.277 -3.866 164 H CYS 25 H CYS 25 -0.672 0.529 -1.357 165 HA CYS 25 HA CYS 25 0.204 1.396 1.236 166 1HB CYS 25 2HB CYS 25 1.691 -0.137 -0.905 167 2HB CYS 25 1HB CYS 25 2.199 0.052 0.772 168 H TYR 26 H TYR 26 1.287 3.148 1.712 169 HA TYR 26 HA TYR 26 3.039 4.411 -0.272 170 1HB TYR 26 2HB TYR 26 0.610 5.605 0.949 171 2HB TYR 26 1HB TYR 26 2.031 6.628 0.886 172 HD1 TYR 26 HD1 TYR 26 0.258 4.290 -1.456 173 HD2 TYR 26 HD2 TYR 26 2.090 8.083 -0.872 174 HE1 TYR 26 HE1 TYR 26 -0.277 4.900 -3.775 175 HE2 TYR 26 HE2 TYR 26 1.559 8.703 -3.190 176 HH TYR 26 HH TYR 26 -0.607 6.955 -5.107 177 H ASN 27 H ASN 27 4.685 5.658 0.631 178 HA ASN 27 HA ASN 27 4.875 6.073 3.470 179 1HB ASN 27 2HB ASN 27 6.802 4.678 3.937 180 2HB ASN 27 1HB ASN 27 5.495 3.673 3.333 181 1HD2 ASN 27 1HD2 ASN 27 8.436 3.330 3.414 182 2HD2 ASN 27 2HD2 ASN 27 8.883 2.944 1.793 183 H GLY 28 H GLY 28 4.809 8.000 1.878 184 1HA GLY 28 2HA GLY 28 6.065 9.981 1.572 185 2HA GLY 28 1HA GLY 28 7.548 9.027 1.692 186 H ILE 29 H ILE 29 6.931 6.989 0.018 187 HA ILE 29 HA ILE 29 6.673 8.255 -2.622 188 HB ILE 29 HB ILE 29 8.135 6.435 -3.489 189 1HG1 ILE 29 2HG1 ILE 29 8.674 5.866 -0.563 190 2HG1 ILE 29 1HG1 ILE 29 7.742 4.829 -1.637 191 1HG2 ILE 29 1HG2 ILE 29 9.170 8.536 -3.160 192 2HG2 ILE 29 2HG2 ILE 29 10.273 7.333 -2.492 193 3HG2 ILE 29 3HG2 ILE 29 9.262 8.298 -1.415 194 1HD1 ILE 29 1HD1 ILE 29 9.586 3.826 -2.321 195 2HD1 ILE 29 2HD1 ILE 29 10.500 4.783 -1.156 196 3HD1 ILE 29 3HD1 ILE 29 10.293 5.366 -2.807 197 HA PRO 30 HA PRO 30 3.346 5.406 -3.150 198 1HB PRO 30 2HB PRO 30 3.841 5.167 -6.007 199 2HB PRO 30 1HB PRO 30 2.560 6.055 -5.180 200 1HG PRO 30 2HG PRO 30 4.585 7.271 -6.539 201 2HG PRO 30 1HG PRO 30 3.749 8.011 -5.163 202 1HD PRO 30 2HD PRO 30 6.405 6.630 -5.248 203 2HD PRO 30 1HD PRO 30 5.924 8.097 -4.367 Start of MODEL 8 1 H CYS 1 H CYS 1 3.074 3.285 -2.660 2 HA CYS 1 HA CYS 1 5.307 1.685 -3.608 3 1HB CYS 1 2HB CYS 1 3.057 0.849 -1.779 4 2HB CYS 1 1HB CYS 1 4.618 0.062 -1.989 5 H ALA 2 H ALA 2 4.997 -0.350 -4.692 6 HA ALA 2 HA ALA 2 2.867 -0.185 -6.616 7 1HB ALA 2 1HB ALA 2 4.378 -2.554 -6.984 8 2HB ALA 2 2HB ALA 2 5.491 -1.250 -6.572 9 3HB ALA 2 3HB ALA 2 4.397 -1.075 -7.945 10 H GLU 3 H GLU 3 1.741 -0.662 -4.179 11 HA GLU 3 HA GLU 3 0.497 -3.244 -4.652 12 1HB GLU 3 2HB GLU 3 1.930 -2.564 -2.090 13 2HB GLU 3 1HB GLU 3 0.662 -3.774 -2.162 14 1HG GLU 3 2HG GLU 3 2.016 -4.979 -3.872 15 2HG GLU 3 1HG GLU 3 3.309 -3.821 -3.578 16 H SER 4 H SER 4 -1.597 -3.273 -4.137 17 HA SER 4 HA SER 4 -2.697 -0.903 -2.801 18 1HB SER 4 2HB SER 4 -4.888 -2.022 -3.846 19 2HB SER 4 1HB SER 4 -3.859 -0.943 -4.785 20 HG SER 4 HG SER 4 -3.304 -2.561 -6.015 21 H CYS 5 H CYS 5 -3.465 -1.190 -0.810 22 HA CYS 5 HA CYS 5 -3.441 -3.876 0.262 23 1HB CYS 5 2HB CYS 5 -3.904 -2.667 2.446 24 2HB CYS 5 1HB CYS 5 -2.383 -2.304 1.646 25 H VAL 6 H VAL 6 -5.681 -2.142 -1.304 26 HA VAL 6 HA VAL 6 -8.069 -2.025 -0.129 27 HB VAL 6 HB VAL 6 -7.737 -3.411 -2.786 28 1HG1 VAL 6 1HG1 VAL 6 -9.934 -1.531 -2.013 29 2HG1 VAL 6 2HG1 VAL 6 -10.015 -3.244 -1.602 30 3HG1 VAL 6 3HG1 VAL 6 -9.904 -2.746 -3.290 31 1HG2 VAL 6 1HG2 VAL 6 -6.717 -0.923 -2.102 32 2HG2 VAL 6 2HG2 VAL 6 -8.236 -0.567 -2.924 33 3HG2 VAL 6 3HG2 VAL 6 -7.003 -1.538 -3.730 34 H TYR 7 H TYR 7 -6.678 -5.109 -1.254 35 HA TYR 7 HA TYR 7 -8.858 -6.483 0.165 36 1HB TYR 7 2HB TYR 7 -7.210 -7.335 -2.206 37 2HB TYR 7 1HB TYR 7 -8.215 -8.452 -1.297 38 HD1 TYR 7 HD1 TYR 7 -10.494 -8.669 -1.801 39 HD2 TYR 7 HD2 TYR 7 -8.347 -5.308 -3.281 40 HE1 TYR 7 HE1 TYR 7 -12.427 -8.052 -3.191 41 HE2 TYR 7 HE2 TYR 7 -10.274 -4.681 -4.670 42 HH TYR 7 HH TYR 7 -12.972 -6.770 -5.128 43 H ILE 8 H ILE 8 -5.482 -5.964 0.182 44 HA ILE 8 HA ILE 8 -5.148 -7.753 2.436 45 HB ILE 8 HB ILE 8 -3.037 -8.758 1.315 46 1HG1 ILE 8 2HG1 ILE 8 -4.683 -8.161 -1.151 47 2HG1 ILE 8 1HG1 ILE 8 -3.169 -7.371 -0.725 48 1HG2 ILE 8 1HG2 ILE 8 -4.494 -10.595 0.244 49 2HG2 ILE 8 2HG2 ILE 8 -5.849 -9.657 0.869 50 3HG2 ILE 8 3HG2 ILE 8 -4.632 -10.291 1.976 51 1HD1 ILE 8 1HD1 ILE 8 -2.610 -10.100 -0.669 52 2HD1 ILE 8 2HD1 ILE 8 -2.127 -8.929 -1.896 53 3HD1 ILE 8 3HD1 ILE 8 -3.617 -9.852 -2.095 54 HA PRO 9 HA PRO 9 -2.285 -4.624 3.628 55 1HB PRO 9 2HB PRO 9 -0.628 -6.145 5.205 56 2HB PRO 9 1HB PRO 9 -2.184 -5.499 5.729 57 1HG PRO 9 2HG PRO 9 -1.490 -8.239 4.765 58 2HG PRO 9 1HG PRO 9 -2.585 -7.753 6.073 59 1HD PRO 9 2HD PRO 9 -3.491 -8.524 3.653 60 2HD PRO 9 1HD PRO 9 -4.317 -7.285 4.620 61 H CYS 10 H CYS 10 -0.197 -3.906 3.249 62 HA CYS 10 HA CYS 10 1.069 -4.660 0.914 63 1HB CYS 10 2HB CYS 10 2.523 -3.381 3.224 64 2HB CYS 10 1HB CYS 10 2.747 -3.096 1.500 65 H THR 11 H THR 11 2.548 -6.192 0.370 66 HA THR 11 HA THR 11 3.577 -7.848 2.579 67 HB THR 11 HB THR 11 3.276 -8.628 -0.325 68 HG1 THR 11 HG1 THR 11 1.307 -8.213 1.115 69 1HG2 THR 11 1HG2 THR 11 3.526 -10.520 1.982 70 2HG2 THR 11 2HG2 THR 11 4.972 -9.796 1.280 71 3HG2 THR 11 3HG2 THR 11 3.902 -10.778 0.279 72 H VAL 12 H VAL 12 4.658 -7.224 -0.787 73 HA VAL 12 HA VAL 12 7.394 -7.640 -0.194 74 HB VAL 12 HB VAL 12 6.427 -5.874 -2.434 75 1HG1 VAL 12 1HG1 VAL 12 8.348 -6.750 -3.621 76 2HG1 VAL 12 2HG1 VAL 12 8.727 -7.814 -2.267 77 3HG1 VAL 12 3HG1 VAL 12 8.847 -6.066 -2.074 78 1HG2 VAL 12 1HG2 VAL 12 5.474 -8.454 -1.984 79 2HG2 VAL 12 2HG2 VAL 12 6.707 -8.624 -3.235 80 3HG2 VAL 12 3HG2 VAL 12 5.357 -7.512 -3.472 81 H THR 13 H THR 13 5.551 -4.733 -0.797 82 HA THR 13 HA THR 13 7.565 -2.877 -0.212 83 HB THR 13 HB THR 13 5.624 -1.272 -0.024 84 HG1 THR 13 HG1 THR 13 4.100 -3.567 -0.795 85 1HG2 THR 13 1HG2 THR 13 6.233 -1.135 -2.178 86 2HG2 THR 13 2HG2 THR 13 4.850 -2.179 -2.507 87 3HG2 THR 13 3HG2 THR 13 6.457 -2.879 -2.314 88 H ALA 14 H ALA 14 5.920 -4.930 1.880 89 HA ALA 14 HA ALA 14 5.625 -3.201 4.122 90 1HB ALA 14 1HB ALA 14 5.803 -5.549 5.341 91 2HB ALA 14 2HB ALA 14 5.537 -6.143 3.702 92 3HB ALA 14 3HB ALA 14 4.355 -5.071 4.455 93 H LEU 15 H LEU 15 8.209 -5.084 2.739 94 HA LEU 15 HA LEU 15 9.969 -4.934 4.992 95 1HB LEU 15 2HB LEU 15 10.609 -5.367 2.069 96 2HB LEU 15 1HB LEU 15 11.702 -5.655 3.409 97 HG LEU 15 HG LEU 15 9.132 -7.160 2.904 98 1HD1 LEU 15 1HD1 LEU 15 11.873 -8.333 2.741 99 2HD1 LEU 15 2HD1 LEU 15 11.196 -7.474 1.356 100 3HD1 LEU 15 3HD1 LEU 15 10.367 -8.888 2.009 101 1HD2 LEU 15 1HD2 LEU 15 11.150 -8.255 4.728 102 2HD2 LEU 15 2HD2 LEU 15 9.393 -8.202 4.875 103 3HD2 LEU 15 3HD2 LEU 15 10.357 -6.789 5.304 104 H LEU 16 H LEU 16 9.007 -2.925 2.443 105 HA LEU 16 HA LEU 16 11.248 -1.098 2.599 106 1HB LEU 16 2HB LEU 16 8.646 -1.059 1.074 107 2HB LEU 16 1HB LEU 16 9.787 0.267 1.031 108 HG LEU 16 HG LEU 16 9.978 -1.146 -0.944 109 1HD1 LEU 16 1HD1 LEU 16 12.036 -0.293 -0.802 110 2HD1 LEU 16 2HD1 LEU 16 12.510 -1.908 -0.278 111 3HD1 LEU 16 3HD1 LEU 16 12.169 -0.658 0.918 112 1HD2 LEU 16 1HD2 LEU 16 10.500 -3.334 1.032 113 2HD2 LEU 16 2HD2 LEU 16 11.052 -3.427 -0.642 114 3HD2 LEU 16 3HD2 LEU 16 9.330 -3.289 -0.287 115 H GLY 17 H GLY 17 8.349 -1.645 4.232 116 1HA GLY 17 2HA GLY 17 7.677 -0.530 6.184 117 2HA GLY 17 1HA GLY 17 8.642 0.857 5.699 118 H CYS 18 H CYS 18 6.507 -0.616 3.404 119 HA CYS 18 HA CYS 18 5.047 1.821 3.088 120 1HB CYS 18 2HB CYS 18 4.737 -0.911 1.855 121 2HB CYS 18 1HB CYS 18 3.686 0.442 1.461 122 H SER 19 H SER 19 3.236 2.439 4.031 123 HA SER 19 HA SER 19 1.773 0.456 5.631 124 1HB SER 19 2HB SER 19 2.761 2.371 6.879 125 2HB SER 19 1HB SER 19 1.786 3.474 5.908 126 HG SER 19 HG SER 19 0.425 3.176 7.497 127 H CYS 20 H CYS 20 -0.482 0.379 5.515 128 HA CYS 20 HA CYS 20 -1.579 0.947 2.946 129 1HB CYS 20 2HB CYS 20 -2.265 -1.016 4.265 130 2HB CYS 20 1HB CYS 20 -2.943 0.043 5.496 131 H SER 21 H SER 21 -2.418 2.806 2.278 132 HA SER 21 HA SER 21 -3.943 4.476 4.101 133 1HB SER 21 2HB SER 21 -1.520 5.533 2.614 134 2HB SER 21 1HB SER 21 -2.662 6.511 3.535 135 HG SER 21 HG SER 21 -1.737 4.458 5.028 136 H ASN 22 H ASN 22 -5.711 5.112 3.067 137 HA ASN 22 HA ASN 22 -7.216 5.564 1.430 138 1HB ASN 22 2HB ASN 22 -4.754 6.423 -0.105 139 2HB ASN 22 1HB ASN 22 -6.413 6.741 -0.594 140 1HD2 ASN 22 1HD2 ASN 22 -3.838 8.152 0.693 141 2HD2 ASN 22 2HD2 ASN 22 -4.589 9.333 1.705 142 H ARG 23 H ARG 23 -6.288 2.946 1.663 143 HA ARG 23 HA ARG 23 -6.615 0.924 0.688 144 1HB ARG 23 2HB ARG 23 -7.481 2.519 -1.726 145 2HB ARG 23 1HB ARG 23 -7.684 0.784 -1.529 146 1HG ARG 23 2HG ARG 23 -9.375 1.010 -0.006 147 2HG ARG 23 1HG ARG 23 -8.815 2.589 0.545 148 1HD ARG 23 2HD ARG 23 -10.880 2.832 -0.693 149 2HD ARG 23 1HD ARG 23 -9.553 3.577 -1.579 150 HE ARG 23 HE ARG 23 -9.935 2.122 -3.284 151 1HH1 ARG 23 1HH1 ARG 23 -11.415 0.804 -0.395 152 2HH1 ARG 23 2HH1 ARG 23 -12.163 -0.520 -1.224 153 1HH2 ARG 23 1HH2 ARG 23 -10.931 0.382 -4.387 154 2HH2 ARG 23 2HH2 ARG 23 -11.888 -0.760 -3.502 155 H VAL 24 H VAL 24 -4.226 2.997 -0.144 156 HA VAL 24 HA VAL 24 -2.926 0.939 -1.800 157 HB VAL 24 HB VAL 24 -3.544 2.921 -3.181 158 1HG1 VAL 24 1HG1 VAL 24 -2.511 4.366 -0.983 159 2HG1 VAL 24 2HG1 VAL 24 -3.247 4.988 -2.459 160 3HG1 VAL 24 3HG1 VAL 24 -1.505 4.724 -2.386 161 1HG2 VAL 24 1HG2 VAL 24 -1.298 3.252 -4.185 162 2HG2 VAL 24 2HG2 VAL 24 -1.713 1.560 -3.906 163 3HG2 VAL 24 3HG2 VAL 24 -0.605 2.388 -2.812 164 H CYS 25 H CYS 25 -0.707 0.621 -1.432 165 HA CYS 25 HA CYS 25 0.132 1.267 1.232 166 1HB CYS 25 2HB CYS 25 1.594 -0.103 -1.036 167 2HB CYS 25 1HB CYS 25 2.178 0.002 0.623 168 H TYR 26 H TYR 26 1.331 2.954 1.865 169 HA TYR 26 HA TYR 26 2.841 4.434 -0.174 170 1HB TYR 26 2HB TYR 26 0.499 5.385 0.454 171 2HB TYR 26 1HB TYR 26 1.291 5.900 1.936 172 HD1 TYR 26 HD1 TYR 26 2.396 7.952 1.981 173 HD2 TYR 26 HD2 TYR 26 1.612 6.096 -1.764 174 HE1 TYR 26 HE1 TYR 26 3.204 9.963 0.821 175 HE2 TYR 26 HE2 TYR 26 2.418 8.096 -2.935 176 HH TYR 26 HH TYR 26 4.261 10.396 -1.583 177 H ASN 27 H ASN 27 4.621 5.518 0.544 178 HA ASN 27 HA ASN 27 5.329 5.701 3.323 179 1HB ASN 27 2HB ASN 27 5.870 3.332 2.913 180 2HB ASN 27 1HB ASN 27 6.890 3.793 1.558 181 1HD2 ASN 27 1HD2 ASN 27 8.829 3.163 2.256 182 2HD2 ASN 27 2HD2 ASN 27 9.593 3.719 3.698 183 H GLY 28 H GLY 28 5.126 7.828 2.183 184 1HA GLY 28 2HA GLY 28 6.312 9.772 1.660 185 2HA GLY 28 1HA GLY 28 7.767 8.796 1.451 186 H ILE 29 H ILE 29 7.064 6.959 -0.283 187 HA ILE 29 HA ILE 29 6.234 8.386 -2.720 188 HB ILE 29 HB ILE 29 7.660 6.790 -3.976 189 1HG1 ILE 29 2HG1 ILE 29 8.724 6.013 -1.248 190 2HG1 ILE 29 1HG1 ILE 29 7.692 5.002 -2.252 191 1HG2 ILE 29 1HG2 ILE 29 9.892 7.749 -3.126 192 2HG2 ILE 29 2HG2 ILE 29 8.899 8.635 -1.969 193 3HG2 ILE 29 3HG2 ILE 29 8.658 8.871 -3.700 194 1HD1 ILE 29 1HD1 ILE 29 10.472 5.088 -2.226 195 2HD1 ILE 29 2HD1 ILE 29 9.996 5.872 -3.732 196 3HD1 ILE 29 3HD1 ILE 29 9.438 4.238 -3.375 197 HA PRO 30 HA PRO 30 3.047 5.400 -3.066 198 1HB PRO 30 2HB PRO 30 2.891 5.052 -5.760 199 2HB PRO 30 1HB PRO 30 2.294 6.492 -4.938 200 1HG PRO 30 2HG PRO 30 4.844 6.074 -6.434 201 2HG PRO 30 1HG PRO 30 3.777 7.489 -6.408 202 1HD PRO 30 2HD PRO 30 6.089 7.346 -4.988 203 2HD PRO 30 1HD PRO 30 4.686 8.295 -4.461 Start of MODEL 9 1 H CYS 1 H CYS 1 3.301 3.295 -2.698 2 HA CYS 1 HA CYS 1 5.441 1.553 -3.605 3 1HB CYS 1 2HB CYS 1 3.065 0.804 -1.912 4 2HB CYS 1 1HB CYS 1 4.620 -0.016 -2.031 5 H ALA 2 H ALA 2 5.054 -0.415 -4.755 6 HA ALA 2 HA ALA 2 2.945 -0.119 -6.699 7 1HB ALA 2 1HB ALA 2 4.071 -2.208 -7.680 8 2HB ALA 2 2HB ALA 2 5.329 -1.916 -6.477 9 3HB ALA 2 3HB ALA 2 4.971 -0.692 -7.695 10 H GLU 3 H GLU 3 1.850 -0.620 -4.240 11 HA GLU 3 HA GLU 3 0.528 -3.161 -4.748 12 1HB GLU 3 2HB GLU 3 1.976 -2.522 -2.183 13 2HB GLU 3 1HB GLU 3 0.670 -3.694 -2.253 14 1HG GLU 3 2HG GLU 3 1.977 -4.961 -3.937 15 2HG GLU 3 1HG GLU 3 3.304 -3.829 -3.692 16 H SER 4 H SER 4 -1.551 -3.207 -4.114 17 HA SER 4 HA SER 4 -2.588 -0.803 -2.785 18 1HB SER 4 2HB SER 4 -4.801 -1.799 -3.909 19 2HB SER 4 1HB SER 4 -3.718 -0.720 -4.783 20 HG SER 4 HG SER 4 -3.137 -2.318 -6.045 21 H CYS 5 H CYS 5 -3.415 -1.128 -0.822 22 HA CYS 5 HA CYS 5 -3.519 -3.848 0.163 23 1HB CYS 5 2HB CYS 5 -3.946 -2.694 2.378 24 2HB CYS 5 1HB CYS 5 -2.409 -2.357 1.598 25 H VAL 6 H VAL 6 -5.576 -2.408 -1.598 26 HA VAL 6 HA VAL 6 -8.002 -1.913 -0.676 27 HB VAL 6 HB VAL 6 -7.581 -3.927 -2.877 28 1HG1 VAL 6 1HG1 VAL 6 -9.925 -2.755 -1.773 29 2HG1 VAL 6 2HG1 VAL 6 -9.783 -3.852 -3.146 30 3HG1 VAL 6 3HG1 VAL 6 -9.692 -2.109 -3.397 31 1HG2 VAL 6 1HG2 VAL 6 -6.564 -1.338 -2.723 32 2HG2 VAL 6 2HG2 VAL 6 -8.001 -1.205 -3.737 33 3HG2 VAL 6 3HG2 VAL 6 -6.719 -2.336 -4.170 34 H TYR 7 H TYR 7 -6.853 -5.271 -0.997 35 HA TYR 7 HA TYR 7 -8.936 -6.034 0.940 36 1HB TYR 7 2HB TYR 7 -8.189 -7.252 -1.662 37 2HB TYR 7 1HB TYR 7 -8.588 -8.345 -0.348 38 HD1 TYR 7 HD1 TYR 7 -10.725 -9.166 -0.534 39 HD2 TYR 7 HD2 TYR 7 -10.015 -5.113 -1.605 40 HE1 TYR 7 HE1 TYR 7 -13.116 -8.886 -1.031 41 HE2 TYR 7 HE2 TYR 7 -12.404 -4.819 -2.102 42 HH TYR 7 HH TYR 7 -14.374 -5.853 -2.354 43 H ILE 8 H ILE 8 -5.682 -5.733 0.557 44 HA ILE 8 HA ILE 8 -5.135 -7.569 2.736 45 HB ILE 8 HB ILE 8 -3.115 -8.518 1.417 46 1HG1 ILE 8 2HG1 ILE 8 -4.974 -7.872 -0.880 47 2HG1 ILE 8 1HG1 ILE 8 -3.425 -7.094 -0.571 48 1HG2 ILE 8 1HG2 ILE 8 -5.946 -9.441 1.199 49 2HG2 ILE 8 2HG2 ILE 8 -4.627 -10.085 2.178 50 3HG2 ILE 8 3HG2 ILE 8 -4.642 -10.348 0.434 51 1HD1 ILE 8 1HD1 ILE 8 -2.545 -8.617 -1.921 52 2HD1 ILE 8 2HD1 ILE 8 -4.016 -9.591 -1.904 53 3HD1 ILE 8 3HD1 ILE 8 -2.813 -9.787 -0.629 54 HA PRO 9 HA PRO 9 -2.215 -4.402 3.729 55 1HB PRO 9 2HB PRO 9 -0.684 -6.482 5.147 56 2HB PRO 9 1HB PRO 9 -1.463 -5.031 5.784 57 1HG PRO 9 2HG PRO 9 -2.448 -7.481 6.263 58 2HG PRO 9 1HG PRO 9 -3.508 -6.077 6.033 59 1HD PRO 9 2HD PRO 9 -2.807 -8.258 4.104 60 2HD PRO 9 1HD PRO 9 -4.376 -7.483 4.405 61 H CYS 10 H CYS 10 -0.133 -3.717 3.240 62 HA CYS 10 HA CYS 10 1.057 -4.539 0.897 63 1HB CYS 10 2HB CYS 10 2.578 -3.262 3.172 64 2HB CYS 10 1HB CYS 10 2.819 -3.028 1.444 65 H THR 11 H THR 11 2.428 -6.159 0.335 66 HA THR 11 HA THR 11 3.441 -7.835 2.531 67 HB THR 11 HB THR 11 3.099 -8.592 -0.371 68 HG1 THR 11 HG1 THR 11 1.163 -8.082 1.128 69 1HG2 THR 11 1HG2 THR 11 4.738 -9.963 0.812 70 2HG2 THR 11 2HG2 THR 11 3.275 -10.893 0.488 71 3HG2 THR 11 3HG2 THR 11 3.576 -10.259 2.105 72 H VAL 12 H VAL 12 4.529 -7.225 -0.835 73 HA VAL 12 HA VAL 12 7.244 -7.780 -0.255 74 HB VAL 12 HB VAL 12 6.320 -5.970 -2.483 75 1HG1 VAL 12 1HG1 VAL 12 8.799 -6.478 -1.898 76 2HG1 VAL 12 2HG1 VAL 12 8.270 -6.523 -3.580 77 3HG1 VAL 12 3HG1 VAL 12 8.476 -8.026 -2.680 78 1HG2 VAL 12 1HG2 VAL 12 5.323 -8.530 -2.036 79 2HG2 VAL 12 2HG2 VAL 12 6.552 -8.726 -3.286 80 3HG2 VAL 12 3HG2 VAL 12 5.224 -7.588 -3.525 81 H THR 13 H THR 13 5.542 -4.787 -0.846 82 HA THR 13 HA THR 13 7.655 -3.051 -0.228 83 HB THR 13 HB THR 13 5.829 -1.332 -0.088 84 HG1 THR 13 HG1 THR 13 4.170 -3.530 -0.881 85 1HG2 THR 13 1HG2 THR 13 6.874 -1.588 -2.183 86 2HG2 THR 13 2HG2 THR 13 5.147 -1.688 -2.525 87 3HG2 THR 13 3HG2 THR 13 6.118 -3.158 -2.461 88 H ALA 14 H ALA 14 6.040 -5.072 1.849 89 HA ALA 14 HA ALA 14 5.679 -3.341 4.085 90 1HB ALA 14 1HB ALA 14 6.243 -5.966 5.003 91 2HB ALA 14 2HB ALA 14 5.262 -6.108 3.544 92 3HB ALA 14 3HB ALA 14 4.681 -5.153 4.908 93 H LEU 15 H LEU 15 8.305 -5.162 2.693 94 HA LEU 15 HA LEU 15 10.116 -4.901 4.885 95 1HB LEU 15 2HB LEU 15 10.354 -6.615 3.107 96 2HB LEU 15 1HB LEU 15 10.681 -5.342 1.947 97 HG LEU 15 HG LEU 15 12.727 -4.749 3.226 98 1HD1 LEU 15 1HD1 LEU 15 13.196 -7.084 4.680 99 2HD1 LEU 15 2HD1 LEU 15 11.565 -6.578 5.121 100 3HD1 LEU 15 3HD1 LEU 15 12.917 -5.464 5.318 101 1HD2 LEU 15 1HD2 LEU 15 13.494 -7.428 2.796 102 2HD2 LEU 15 2HD2 LEU 15 13.696 -6.049 1.715 103 3HD2 LEU 15 3HD2 LEU 15 12.248 -7.051 1.607 104 H LEU 16 H LEU 16 9.057 -2.968 2.283 105 HA LEU 16 HA LEU 16 11.216 -1.052 2.395 106 1HB LEU 16 2HB LEU 16 8.577 -1.095 0.935 107 2HB LEU 16 1HB LEU 16 9.682 0.261 0.855 108 HG LEU 16 HG LEU 16 11.406 -1.388 -0.026 109 1HD1 LEU 16 1HD1 LEU 16 9.431 -3.137 -1.172 110 2HD1 LEU 16 2HD1 LEU 16 9.478 -3.266 0.588 111 3HD1 LEU 16 3HD1 LEU 16 10.946 -3.522 -0.355 112 1HD2 LEU 16 1HD2 LEU 16 9.641 -1.484 -2.207 113 2HD2 LEU 16 2HD2 LEU 16 10.907 -0.298 -1.886 114 3HD2 LEU 16 3HD2 LEU 16 9.265 -0.012 -1.310 115 H GLY 17 H GLY 17 8.476 -1.693 4.200 116 1HA GLY 17 2HA GLY 17 7.749 -0.572 6.106 117 2HA GLY 17 1HA GLY 17 8.730 0.810 5.638 118 H CYS 18 H CYS 18 6.559 -0.655 3.372 119 HA CYS 18 HA CYS 18 5.152 1.794 2.981 120 1HB CYS 18 2HB CYS 18 4.816 -0.986 1.877 121 2HB CYS 18 1HB CYS 18 3.718 0.323 1.459 122 H SER 19 H SER 19 3.272 2.468 3.799 123 HA SER 19 HA SER 19 1.835 0.606 5.559 124 1HB SER 19 2HB SER 19 1.869 3.636 5.631 125 2HB SER 19 1HB SER 19 1.059 2.576 6.786 126 HG SER 19 HG SER 19 3.801 2.227 6.323 127 H CYS 20 H CYS 20 -0.422 0.535 5.486 128 HA CYS 20 HA CYS 20 -1.541 0.940 2.888 129 1HB CYS 20 2HB CYS 20 -2.165 -0.987 4.275 130 2HB CYS 20 1HB CYS 20 -2.844 0.092 5.487 131 H SER 21 H SER 21 -2.491 2.722 2.146 132 HA SER 21 HA SER 21 -3.975 4.454 3.961 133 1HB SER 21 2HB SER 21 -1.741 5.471 2.180 134 2HB SER 21 1HB SER 21 -2.843 6.481 3.118 135 HG SER 21 HG SER 21 -1.708 4.605 4.689 136 H ASN 22 H ASN 22 -5.877 4.818 3.049 137 HA ASN 22 HA ASN 22 -7.555 5.010 1.522 138 1HB ASN 22 2HB ASN 22 -5.268 6.194 -0.046 139 2HB ASN 22 1HB ASN 22 -6.892 6.090 -0.709 140 1HD2 ASN 22 1HD2 ASN 22 -7.508 6.485 2.420 141 2HD2 ASN 22 2HD2 ASN 22 -7.550 8.205 2.524 142 H ARG 23 H ARG 23 -6.235 2.520 1.736 143 HA ARG 23 HA ARG 23 -6.315 0.447 0.828 144 1HB ARG 23 2HB ARG 23 -8.032 1.954 -1.067 145 2HB ARG 23 1HB ARG 23 -7.457 0.378 -1.578 146 1HG ARG 23 2HG ARG 23 -9.669 0.254 -0.557 147 2HG ARG 23 1HG ARG 23 -8.474 -0.656 0.359 148 1HD ARG 23 2HD ARG 23 -8.283 1.220 1.938 149 2HD ARG 23 1HD ARG 23 -9.540 2.074 1.042 150 HE ARG 23 HE ARG 23 -11.062 0.860 2.206 151 1HH1 ARG 23 1HH1 ARG 23 -8.099 -1.020 2.122 152 2HH1 ARG 23 2HH1 ARG 23 -8.765 -2.350 3.003 153 1HH2 ARG 23 1HH2 ARG 23 -11.932 -0.896 3.392 154 2HH2 ARG 23 2HH2 ARG 23 -10.941 -2.274 3.734 155 H VAL 24 H VAL 24 -4.268 2.624 0.032 156 HA VAL 24 HA VAL 24 -2.929 0.961 -1.991 157 HB VAL 24 HB VAL 24 -2.876 3.993 -1.955 158 1HG1 VAL 24 1HG1 VAL 24 -0.800 3.287 -2.780 159 2HG1 VAL 24 2HG1 VAL 24 -1.767 3.598 -4.222 160 3HG1 VAL 24 3HG1 VAL 24 -1.512 1.942 -3.672 161 1HG2 VAL 24 1HG2 VAL 24 -4.940 3.613 -2.879 162 2HG2 VAL 24 2HG2 VAL 24 -4.477 2.046 -3.543 163 3HG2 VAL 24 3HG2 VAL 24 -3.924 3.530 -4.319 164 H CYS 25 H CYS 25 -0.719 0.675 -1.613 165 HA CYS 25 HA CYS 25 0.158 1.351 1.041 166 1HB CYS 25 2HB CYS 25 1.576 -0.063 -1.225 167 2HB CYS 25 1HB CYS 25 2.217 0.110 0.408 168 H TYR 26 H TYR 26 1.290 3.050 1.638 169 HA TYR 26 HA TYR 26 2.995 4.457 -0.265 170 1HB TYR 26 2HB TYR 26 0.749 5.476 -0.477 171 2HB TYR 26 1HB TYR 26 0.746 5.816 1.246 172 HD1 TYR 26 HD1 TYR 26 1.457 7.900 1.972 173 HD2 TYR 26 HD2 TYR 26 2.730 6.505 -1.839 174 HE1 TYR 26 HE1 TYR 26 2.490 10.086 1.523 175 HE2 TYR 26 HE2 TYR 26 3.771 8.683 -2.295 176 HH TYR 26 HH TYR 26 4.710 10.606 -0.893 177 H ASN 27 H ASN 27 4.667 5.529 0.702 178 HA ASN 27 HA ASN 27 4.697 6.026 3.553 179 1HB ASN 27 2HB ASN 27 6.594 4.606 4.102 180 2HB ASN 27 1HB ASN 27 5.291 3.617 3.458 181 1HD2 ASN 27 1HD2 ASN 27 8.335 3.452 3.601 182 2HD2 ASN 27 2HD2 ASN 27 8.785 2.973 2.006 183 H GLY 28 H GLY 28 4.745 7.947 1.939 184 1HA GLY 28 2HA GLY 28 6.058 9.897 1.673 185 2HA GLY 28 1HA GLY 28 7.512 8.912 1.869 186 H ILE 29 H ILE 29 6.973 6.876 0.192 187 HA ILE 29 HA ILE 29 6.847 8.117 -2.469 188 HB ILE 29 HB ILE 29 8.276 6.233 -3.255 189 1HG1 ILE 29 2HG1 ILE 29 8.691 5.690 -0.304 190 2HG1 ILE 29 1HG1 ILE 29 7.752 4.673 -1.392 191 1HG2 ILE 29 1HG2 ILE 29 10.393 7.066 -2.032 192 2HG2 ILE 29 2HG2 ILE 29 9.294 8.193 -1.237 193 3HG2 ILE 29 3HG2 ILE 29 9.457 8.210 -2.993 194 1HD1 ILE 29 1HD1 ILE 29 10.499 5.221 -2.264 195 2HD1 ILE 29 2HD1 ILE 29 9.578 3.717 -2.272 196 3HD1 ILE 29 3HD1 ILE 29 10.346 4.273 -0.784 197 HA PRO 30 HA PRO 30 3.418 5.410 -3.079 198 1HB PRO 30 2HB PRO 30 3.936 5.258 -5.936 199 2HB PRO 30 1HB PRO 30 2.673 6.153 -5.089 200 1HG PRO 30 2HG PRO 30 4.747 7.355 -6.386 201 2HG PRO 30 1HG PRO 30 3.918 8.072 -4.992 202 1HD PRO 30 2HD PRO 30 6.534 6.618 -5.102 203 2HD PRO 30 1HD PRO 30 6.084 8.065 -4.172 Start of MODEL 10 1 H CYS 1 H CYS 1 3.391 3.057 -2.632 2 HA CYS 1 HA CYS 1 5.582 1.654 -3.918 3 1HB CYS 1 2HB CYS 1 3.702 1.004 -1.700 4 2HB CYS 1 1HB CYS 1 4.565 -0.287 -2.509 5 H ALA 2 H ALA 2 5.183 -0.531 -4.812 6 HA ALA 2 HA ALA 2 3.025 -0.351 -6.731 7 1HB ALA 2 1HB ALA 2 4.626 -1.153 -8.047 8 2HB ALA 2 2HB ALA 2 4.429 -2.703 -7.227 9 3HB ALA 2 3HB ALA 2 5.644 -1.555 -6.664 10 H GLU 3 H GLU 3 2.031 -0.784 -4.231 11 HA GLU 3 HA GLU 3 0.728 -3.351 -4.597 12 1HB GLU 3 2HB GLU 3 2.267 -2.621 -2.108 13 2HB GLU 3 1HB GLU 3 0.943 -3.771 -2.072 14 1HG GLU 3 2HG GLU 3 2.202 -5.092 -3.811 15 2HG GLU 3 1HG GLU 3 3.565 -4.016 -3.515 16 H SER 4 H SER 4 -1.334 -3.386 -3.818 17 HA SER 4 HA SER 4 -2.293 -0.924 -2.535 18 1HB SER 4 2HB SER 4 -4.520 -1.639 -3.739 19 2HB SER 4 1HB SER 4 -3.284 -0.750 -4.626 20 HG SER 4 HG SER 4 -2.965 -2.435 -5.850 21 H CYS 5 H CYS 5 -3.336 -1.229 -0.663 22 HA CYS 5 HA CYS 5 -3.585 -3.968 0.255 23 1HB CYS 5 2HB CYS 5 -4.082 -2.897 2.472 24 2HB CYS 5 1HB CYS 5 -2.508 -2.522 1.789 25 H VAL 6 H VAL 6 -5.474 -2.269 -1.551 26 HA VAL 6 HA VAL 6 -7.932 -1.763 -0.725 27 HB VAL 6 HB VAL 6 -7.456 -3.595 -3.072 28 1HG1 VAL 6 1HG1 VAL 6 -9.546 -1.481 -3.013 29 2HG1 VAL 6 2HG1 VAL 6 -9.840 -2.975 -2.125 30 3HG1 VAL 6 3HG1 VAL 6 -9.526 -3.027 -3.859 31 1HG2 VAL 6 1HG2 VAL 6 -7.647 -0.650 -3.387 32 2HG2 VAL 6 2HG2 VAL 6 -6.768 -1.838 -4.349 33 3HG2 VAL 6 3HG2 VAL 6 -6.130 -1.320 -2.789 34 H TYR 7 H TYR 7 -6.863 -5.122 -1.276 35 HA TYR 7 HA TYR 7 -9.081 -5.986 0.461 36 1HB TYR 7 2HB TYR 7 -8.203 -6.999 -2.191 37 2HB TYR 7 1HB TYR 7 -8.719 -8.186 -1.004 38 HD1 TYR 7 HD1 TYR 7 -9.973 -4.807 -2.036 39 HD2 TYR 7 HD2 TYR 7 -10.857 -8.921 -1.418 40 HE1 TYR 7 HE1 TYR 7 -12.316 -4.390 -2.651 41 HE2 TYR 7 HE2 TYR 7 -13.202 -8.515 -2.032 42 HH TYR 7 HH TYR 7 -14.462 -5.309 -2.458 43 H ILE 8 H ILE 8 -5.789 -5.775 0.256 44 HA ILE 8 HA ILE 8 -5.415 -7.792 2.311 45 HB ILE 8 HB ILE 8 -3.368 -8.716 1.021 46 1HG1 ILE 8 2HG1 ILE 8 -5.063 -7.808 -1.314 47 2HG1 ILE 8 1HG1 ILE 8 -3.517 -7.107 -0.849 48 1HG2 ILE 8 1HG2 ILE 8 -5.072 -10.277 -0.309 49 2HG2 ILE 8 2HG2 ILE 8 -6.207 -9.487 0.785 50 3HG2 ILE 8 3HG2 ILE 8 -4.832 -10.380 1.435 51 1HD1 ILE 8 1HD1 ILE 8 -2.546 -8.554 -2.209 52 2HD1 ILE 8 2HD1 ILE 8 -4.069 -9.405 -2.474 53 3HD1 ILE 8 3HD1 ILE 8 -3.039 -9.843 -1.110 54 HA PRO 9 HA PRO 9 -2.473 -4.806 3.729 55 1HB PRO 9 2HB PRO 9 -1.054 -7.084 4.966 56 2HB PRO 9 1HB PRO 9 -1.766 -5.657 5.725 57 1HG PRO 9 2HG PRO 9 -2.904 -8.065 5.964 58 2HG PRO 9 1HG PRO 9 -3.880 -6.592 5.811 59 1HD PRO 9 2HD PRO 9 -3.223 -8.656 3.741 60 2HD PRO 9 1HD PRO 9 -4.758 -7.818 4.048 61 H CYS 10 H CYS 10 -0.439 -4.057 3.257 62 HA CYS 10 HA CYS 10 0.832 -4.859 0.921 63 1HB CYS 10 2HB CYS 10 2.176 -3.386 3.191 64 2HB CYS 10 1HB CYS 10 2.524 -3.258 1.470 65 H THR 11 H THR 11 2.534 -6.215 0.455 66 HA THR 11 HA THR 11 3.609 -7.737 2.740 67 HB THR 11 HB THR 11 3.234 -8.750 -0.085 68 HG1 THR 11 HG1 THR 11 1.318 -8.336 1.455 69 1HG2 THR 11 1HG2 THR 11 4.459 -9.855 2.378 70 2HG2 THR 11 2HG2 THR 11 4.842 -10.167 0.685 71 3HG2 THR 11 3HG2 THR 11 3.450 -10.951 1.431 72 H VAL 12 H VAL 12 4.496 -7.257 -0.702 73 HA VAL 12 HA VAL 12 7.265 -7.522 -0.249 74 HB VAL 12 HB VAL 12 6.022 -5.904 -2.476 75 1HG1 VAL 12 1HG1 VAL 12 8.078 -5.751 -3.284 76 2HG1 VAL 12 2HG1 VAL 12 8.258 -7.505 -3.245 77 3HG1 VAL 12 3HG1 VAL 12 8.686 -6.543 -1.830 78 1HG2 VAL 12 1HG2 VAL 12 5.338 -8.493 -1.934 79 2HG2 VAL 12 2HG2 VAL 12 6.670 -8.687 -3.075 80 3HG2 VAL 12 3HG2 VAL 12 5.260 -7.724 -3.520 81 H THR 13 H THR 13 5.333 -4.619 -0.864 82 HA THR 13 HA THR 13 7.443 -2.818 -0.327 83 HB THR 13 HB THR 13 5.813 -1.076 -0.501 84 HG1 THR 13 HG1 THR 13 3.807 -3.109 -0.352 85 1HG2 THR 13 1HG2 THR 13 4.426 -2.327 -2.519 86 2HG2 THR 13 2HG2 THR 13 5.869 -3.327 -2.364 87 3HG2 THR 13 3HG2 THR 13 6.026 -1.599 -2.675 88 H ALA 14 H ALA 14 5.788 -4.767 1.782 89 HA ALA 14 HA ALA 14 5.449 -2.996 3.979 90 1HB ALA 14 1HB ALA 14 4.623 -4.776 5.074 91 2HB ALA 14 2HB ALA 14 6.003 -5.792 4.659 92 3HB ALA 14 3HB ALA 14 4.689 -5.575 3.504 93 H LEU 15 H LEU 15 8.073 -4.992 2.734 94 HA LEU 15 HA LEU 15 9.765 -4.582 4.996 95 1HB LEU 15 2HB LEU 15 11.547 -5.541 3.685 96 2HB LEU 15 1HB LEU 15 10.091 -6.490 3.482 97 HG LEU 15 HG LEU 15 9.844 -4.984 1.306 98 1HD1 LEU 15 1HD1 LEU 15 11.688 -3.994 0.503 99 2HD1 LEU 15 2HD1 LEU 15 12.753 -5.273 1.087 100 3HD1 LEU 15 3HD1 LEU 15 12.217 -4.002 2.185 101 1HD2 LEU 15 1HD2 LEU 15 11.424 -6.811 0.226 102 2HD2 LEU 15 2HD2 LEU 15 9.844 -7.223 0.892 103 3HD2 LEU 15 3HD2 LEU 15 11.303 -7.513 1.840 104 H LEU 16 H LEU 16 8.851 -2.726 2.306 105 HA LEU 16 HA LEU 16 11.137 -0.949 2.355 106 1HB LEU 16 2HB LEU 16 8.451 -0.604 1.013 107 2HB LEU 16 1HB LEU 16 9.861 0.403 0.757 108 HG LEU 16 HG LEU 16 9.718 -2.531 0.062 109 1HD1 LEU 16 1HD1 LEU 16 9.013 -0.076 -1.429 110 2HD1 LEU 16 2HD1 LEU 16 8.378 -1.716 -1.572 111 3HD1 LEU 16 3HD1 LEU 16 9.932 -1.306 -2.298 112 1HD2 LEU 16 1HD2 LEU 16 11.745 -1.701 -1.364 113 2HD2 LEU 16 2HD2 LEU 16 11.968 -2.122 0.334 114 3HD2 LEU 16 3HD2 LEU 16 11.827 -0.430 -0.144 115 H GLY 17 H GLY 17 8.163 -1.313 3.984 116 1HA GLY 17 2HA GLY 17 7.754 -0.154 6.034 117 2HA GLY 17 1HA GLY 17 8.622 1.229 5.385 118 H CYS 18 H CYS 18 6.663 0.025 2.978 119 HA CYS 18 HA CYS 18 4.943 2.268 3.077 120 1HB CYS 18 2HB CYS 18 5.218 -0.082 1.313 121 2HB CYS 18 1HB CYS 18 3.656 0.721 1.324 122 H SER 19 H SER 19 3.262 2.613 4.213 123 HA SER 19 HA SER 19 1.921 0.394 5.558 124 1HB SER 19 2HB SER 19 1.670 3.373 6.031 125 2HB SER 19 1HB SER 19 1.020 2.091 7.053 126 HG SER 19 HG SER 19 3.766 2.095 6.481 127 H CYS 20 H CYS 20 -0.372 0.269 5.608 128 HA CYS 20 HA CYS 20 -1.585 0.779 3.075 129 1HB CYS 20 2HB CYS 20 -2.120 -1.241 4.340 130 2HB CYS 20 1HB CYS 20 -2.752 -0.270 5.664 131 H SER 21 H SER 21 -2.455 2.629 2.475 132 HA SER 21 HA SER 21 -4.143 4.131 4.293 133 1HB SER 21 2HB SER 21 -1.844 5.080 4.620 134 2HB SER 21 1HB SER 21 -1.804 5.470 2.901 135 HG SER 21 HG SER 21 -2.482 7.275 4.036 136 H ASN 22 H ASN 22 -5.859 4.914 3.185 137 HA ASN 22 HA ASN 22 -7.301 5.320 1.459 138 1HB ASN 22 2HB ASN 22 -5.391 6.999 0.985 139 2HB ASN 22 1HB ASN 22 -4.921 5.897 -0.298 140 1HD2 ASN 22 1HD2 ASN 22 -8.200 5.657 -0.044 141 2HD2 ASN 22 2HD2 ASN 22 -8.657 6.822 -1.229 142 H ARG 23 H ARG 23 -6.108 2.728 1.901 143 HA ARG 23 HA ARG 23 -6.250 0.619 1.114 144 1HB ARG 23 2HB ARG 23 -7.731 1.967 -1.138 145 2HB ARG 23 1HB ARG 23 -7.501 0.226 -1.052 146 1HG ARG 23 2HG ARG 23 -8.868 1.879 1.063 147 2HG ARG 23 1HG ARG 23 -9.698 0.972 -0.204 148 1HD ARG 23 2HD ARG 23 -8.750 -1.103 0.642 149 2HD ARG 23 1HD ARG 23 -7.856 -0.216 1.872 150 HE ARG 23 HE ARG 23 -10.526 0.417 2.220 151 1HH1 ARG 23 1HH1 ARG 23 -8.566 -2.478 2.280 152 2HH1 ARG 23 2HH1 ARG 23 -9.525 -3.265 3.486 153 1HH2 ARG 23 1HH2 ARG 23 -11.810 -0.621 3.819 154 2HH2 ARG 23 2HH2 ARG 23 -11.375 -2.205 4.365 155 H VAL 24 H VAL 24 -4.064 2.604 0.255 156 HA VAL 24 HA VAL 24 -2.813 0.740 -1.630 157 HB VAL 24 HB VAL 24 -1.695 2.615 -2.812 158 1HG1 VAL 24 1HG1 VAL 24 -3.696 1.530 -3.744 159 2HG1 VAL 24 2HG1 VAL 24 -3.566 3.224 -4.220 160 3HG1 VAL 24 3HG1 VAL 24 -4.703 2.746 -2.960 161 1HG2 VAL 24 1HG2 VAL 24 -2.788 4.170 -0.733 162 2HG2 VAL 24 2HG2 VAL 24 -3.559 4.700 -2.229 163 3HG2 VAL 24 3HG2 VAL 24 -1.801 4.709 -2.092 164 H CYS 25 H CYS 25 -0.511 0.647 -1.473 165 HA CYS 25 HA CYS 25 0.401 1.196 1.211 166 1HB CYS 25 2HB CYS 25 1.901 -0.049 -1.104 167 2HB CYS 25 1HB CYS 25 2.336 -0.131 0.600 168 H TYR 26 H TYR 26 1.394 3.003 1.804 169 HA TYR 26 HA TYR 26 3.017 4.467 -0.166 170 1HB TYR 26 2HB TYR 26 0.729 5.437 -0.061 171 2HB TYR 26 1HB TYR 26 0.968 5.752 1.651 172 HD1 TYR 26 HD1 TYR 26 2.542 6.470 -1.657 173 HD2 TYR 26 HD2 TYR 26 1.740 7.839 2.288 174 HE1 TYR 26 HE1 TYR 26 3.532 8.646 -2.219 175 HE2 TYR 26 HE2 TYR 26 2.728 10.021 1.738 176 HH TYR 26 HH TYR 26 4.685 10.569 -0.786 177 H ASN 27 H ASN 27 4.769 5.470 0.613 178 HA ASN 27 HA ASN 27 5.187 6.004 3.403 179 1HB ASN 27 2HB ASN 27 5.708 3.681 3.558 180 2HB ASN 27 1HB ASN 27 6.666 3.718 2.085 181 1HD2 ASN 27 1HD2 ASN 27 8.655 3.254 2.672 182 2HD2 ASN 27 2HD2 ASN 27 9.530 3.982 3.964 183 H GLY 28 H GLY 28 5.264 7.999 2.189 184 1HA GLY 28 2HA GLY 28 6.639 9.812 1.629 185 2HA GLY 28 1HA GLY 28 7.999 8.699 1.472 186 H ILE 29 H ILE 29 7.203 6.873 -0.223 187 HA ILE 29 HA ILE 29 6.386 8.296 -2.663 188 HB ILE 29 HB ILE 29 7.835 6.985 -4.014 189 1HG1 ILE 29 2HG1 ILE 29 7.545 4.850 -2.686 190 2HG1 ILE 29 1HG1 ILE 29 9.160 5.132 -3.318 191 1HG2 ILE 29 1HG2 ILE 29 9.081 8.770 -3.249 192 2HG2 ILE 29 2HG2 ILE 29 10.122 7.391 -2.894 193 3HG2 ILE 29 3HG2 ILE 29 9.175 8.136 -1.605 194 1HD1 ILE 29 1HD1 ILE 29 8.856 4.254 -0.911 195 2HD1 ILE 29 2HD1 ILE 29 8.482 5.934 -0.524 196 3HD1 ILE 29 3HD1 ILE 29 10.047 5.517 -1.225 197 HA PRO 30 HA PRO 30 3.243 5.206 -2.873 198 1HB PRO 30 2HB PRO 30 3.268 5.193 -5.776 199 2HB PRO 30 1HB PRO 30 2.089 5.928 -4.688 200 1HG PRO 30 2HG PRO 30 3.773 7.377 -6.266 201 2HG PRO 30 1HG PRO 30 3.136 7.965 -4.719 202 1HD PRO 30 2HD PRO 30 5.819 6.784 -5.341 203 2HD PRO 30 1HD PRO 30 5.409 8.164 -4.297 Start of MODEL 11 1 H CYS 1 H CYS 1 3.323 3.279 -2.704 2 HA CYS 1 HA CYS 1 5.537 1.599 -3.539 3 1HB CYS 1 2HB CYS 1 3.185 0.847 -1.814 4 2HB CYS 1 1HB CYS 1 4.744 0.037 -1.925 5 H ALA 2 H ALA 2 5.233 -0.436 -4.600 6 HA ALA 2 HA ALA 2 3.158 -0.290 -6.593 7 1HB ALA 2 1HB ALA 2 5.031 -0.919 -7.689 8 2HB ALA 2 2HB ALA 2 4.456 -2.530 -7.259 9 3HB ALA 2 3HB ALA 2 5.703 -1.750 -6.286 10 H GLU 3 H GLU 3 2.047 -0.766 -4.102 11 HA GLU 3 HA GLU 3 0.758 -3.319 -4.613 12 1HB GLU 3 2HB GLU 3 2.191 -2.711 -2.029 13 2HB GLU 3 1HB GLU 3 0.900 -3.897 -2.134 14 1HG GLU 3 2HG GLU 3 2.273 -5.066 -3.890 15 2HG GLU 3 1HG GLU 3 3.589 -3.973 -3.469 16 H SER 4 H SER 4 -1.338 -3.291 -4.123 17 HA SER 4 HA SER 4 -2.381 -0.905 -2.767 18 1HB SER 4 2HB SER 4 -4.577 -1.735 -3.877 19 2HB SER 4 1HB SER 4 -3.362 -0.960 -4.889 20 HG SER 4 HG SER 4 -3.542 -3.768 -4.533 21 H CYS 5 H CYS 5 -3.341 -1.170 -0.848 22 HA CYS 5 HA CYS 5 -3.518 -3.888 0.175 23 1HB CYS 5 2HB CYS 5 -3.932 -2.719 2.384 24 2HB CYS 5 1HB CYS 5 -2.366 -2.445 1.635 25 H VAL 6 H VAL 6 -5.469 -2.279 -1.611 26 HA VAL 6 HA VAL 6 -7.895 -1.706 -0.715 27 HB VAL 6 HB VAL 6 -7.598 -3.682 -2.973 28 1HG1 VAL 6 1HG1 VAL 6 -9.553 -1.414 -2.652 29 2HG1 VAL 6 2HG1 VAL 6 -9.895 -3.078 -2.173 30 3HG1 VAL 6 3HG1 VAL 6 -9.572 -2.694 -3.865 31 1HG2 VAL 6 1HG2 VAL 6 -7.663 -0.932 -3.815 32 2HG2 VAL 6 2HG2 VAL 6 -6.498 -2.198 -4.204 33 3HG2 VAL 6 3HG2 VAL 6 -6.288 -1.223 -2.749 34 H TYR 7 H TYR 7 -6.810 -5.085 -1.038 35 HA TYR 7 HA TYR 7 -8.980 -5.838 0.799 36 1HB TYR 7 2HB TYR 7 -8.267 -7.023 -1.844 37 2HB TYR 7 1HB TYR 7 -8.820 -8.093 -0.567 38 HD1 TYR 7 HD1 TYR 7 -11.091 -8.515 -0.412 39 HD2 TYR 7 HD2 TYR 7 -9.805 -4.902 -2.250 40 HE1 TYR 7 HE1 TYR 7 -13.421 -7.989 -0.996 41 HE2 TYR 7 HE2 TYR 7 -12.131 -4.364 -2.834 42 HH TYR 7 HH TYR 7 -14.547 -6.487 -2.910 43 H ILE 8 H ILE 8 -5.740 -5.663 0.429 44 HA ILE 8 HA ILE 8 -5.262 -7.680 2.465 45 HB ILE 8 HB ILE 8 -3.254 -8.564 1.105 46 1HG1 ILE 8 2HG1 ILE 8 -5.007 -7.622 -1.173 47 2HG1 ILE 8 1HG1 ILE 8 -3.454 -6.922 -0.731 48 1HG2 ILE 8 1HG2 ILE 8 -6.060 -9.366 1.059 49 2HG2 ILE 8 2HG2 ILE 8 -4.611 -10.305 1.419 50 3HG2 ILE 8 3HG2 ILE 8 -5.094 -10.035 -0.256 51 1HD1 ILE 8 1HD1 ILE 8 -4.073 -9.401 -2.187 52 2HD1 ILE 8 2HD1 ILE 8 -2.728 -9.484 -1.050 53 3HD1 ILE 8 3HD1 ILE 8 -2.712 -8.291 -2.350 54 HA PRO 9 HA PRO 9 -2.372 -4.611 3.813 55 1HB PRO 9 2HB PRO 9 -0.934 -6.854 5.091 56 2HB PRO 9 1HB PRO 9 -1.655 -5.417 5.822 57 1HG PRO 9 2HG PRO 9 -2.774 -7.829 6.111 58 2HG PRO 9 1HG PRO 9 -3.762 -6.366 5.933 59 1HD PRO 9 2HD PRO 9 -3.100 -8.465 3.902 60 2HD PRO 9 1HD PRO 9 -4.638 -7.625 4.196 61 H CYS 10 H CYS 10 -0.288 -3.896 3.427 62 HA CYS 10 HA CYS 10 0.981 -4.570 1.071 63 1HB CYS 10 2HB CYS 10 2.369 -3.386 3.481 64 2HB CYS 10 1HB CYS 10 2.748 -3.109 1.785 65 H THR 11 H THR 11 2.468 -6.077 0.466 66 HA THR 11 HA THR 11 3.509 -7.816 2.605 67 HB THR 11 HB THR 11 3.032 -8.566 -0.286 68 HG1 THR 11 HG1 THR 11 1.172 -8.143 1.334 69 1HG2 THR 11 1HG2 THR 11 3.168 -10.699 1.688 70 2HG2 THR 11 2HG2 THR 11 4.661 -9.765 1.611 71 3HG2 THR 11 3HG2 THR 11 4.022 -10.527 0.154 72 H VAL 12 H VAL 12 4.401 -7.205 -0.815 73 HA VAL 12 HA VAL 12 7.166 -7.608 -0.361 74 HB VAL 12 HB VAL 12 5.974 -5.921 -2.567 75 1HG1 VAL 12 1HG1 VAL 12 8.520 -7.528 -2.422 76 2HG1 VAL 12 2HG1 VAL 12 8.390 -5.770 -2.375 77 3HG1 VAL 12 3HG1 VAL 12 7.939 -6.649 -3.836 78 1HG2 VAL 12 1HG2 VAL 12 5.271 -8.523 -2.065 79 2HG2 VAL 12 2HG2 VAL 12 6.580 -8.689 -3.236 80 3HG2 VAL 12 3HG2 VAL 12 5.167 -7.707 -3.626 81 H THR 13 H THR 13 5.261 -4.670 -0.814 82 HA THR 13 HA THR 13 7.395 -2.885 -0.331 83 HB THR 13 HB THR 13 5.700 -1.145 -0.218 84 HG1 THR 13 HG1 THR 13 3.765 -3.240 -0.366 85 1HG2 THR 13 1HG2 THR 13 5.891 -1.345 -2.435 86 2HG2 THR 13 2HG2 THR 13 4.371 -2.238 -2.381 87 3HG2 THR 13 3HG2 THR 13 5.905 -3.107 -2.352 88 H ALA 14 H ALA 14 5.811 -4.909 1.801 89 HA ALA 14 HA ALA 14 5.662 -3.205 4.077 90 1HB ALA 14 1HB ALA 14 4.553 -4.973 4.851 91 2HB ALA 14 2HB ALA 14 6.085 -5.837 4.978 92 3HB ALA 14 3HB ALA 14 5.119 -5.965 3.507 93 H LEU 15 H LEU 15 8.143 -5.100 2.522 94 HA LEU 15 HA LEU 15 10.025 -4.981 4.684 95 1HB LEU 15 2HB LEU 15 10.301 -5.594 1.744 96 2HB LEU 15 1HB LEU 15 11.690 -5.513 2.806 97 HG LEU 15 HG LEU 15 11.141 -7.802 2.560 98 1HD1 LEU 15 1HD1 LEU 15 11.585 -8.102 4.701 99 2HD1 LEU 15 2HD1 LEU 15 9.875 -7.891 5.076 100 3HD1 LEU 15 3HD1 LEU 15 10.956 -6.499 5.079 101 1HD2 LEU 15 1HD2 LEU 15 9.101 -8.546 2.131 102 2HD2 LEU 15 2HD2 LEU 15 8.504 -6.894 2.276 103 3HD2 LEU 15 3HD2 LEU 15 8.513 -7.956 3.684 104 H LEU 16 H LEU 16 8.945 -2.960 2.200 105 HA LEU 16 HA LEU 16 11.209 -1.156 2.229 106 1HB LEU 16 2HB LEU 16 8.531 -1.125 0.847 107 2HB LEU 16 1HB LEU 16 9.640 0.226 0.760 108 HG LEU 16 HG LEU 16 9.751 -1.174 -1.232 109 1HD1 LEU 16 1HD1 LEU 16 11.921 -0.327 0.347 110 2HD1 LEU 16 2HD1 LEU 16 11.868 -0.555 -1.402 111 3HD1 LEU 16 3HD1 LEU 16 12.367 -1.884 -0.354 112 1HD2 LEU 16 1HD2 LEU 16 9.167 -3.329 -0.375 113 2HD2 LEU 16 2HD2 LEU 16 10.608 -3.362 0.640 114 3HD2 LEU 16 3HD2 LEU 16 10.765 -3.424 -1.115 115 H GLY 17 H GLY 17 8.519 -1.716 4.124 116 1HA GLY 17 2HA GLY 17 7.868 -0.589 6.049 117 2HA GLY 17 1HA GLY 17 8.907 0.750 5.586 118 H CYS 18 H CYS 18 6.505 -0.661 3.483 119 HA CYS 18 HA CYS 18 5.240 1.901 3.131 120 1HB CYS 18 2HB CYS 18 4.749 -0.822 1.943 121 2HB CYS 18 1HB CYS 18 3.761 0.579 1.554 122 H SER 19 H SER 19 3.346 2.589 3.918 123 HA SER 19 HA SER 19 1.897 0.756 5.695 124 1HB SER 19 2HB SER 19 0.965 2.982 6.626 125 2HB SER 19 1HB SER 19 2.635 2.566 7.004 126 HG SER 19 HG SER 19 2.175 4.053 4.684 127 H CYS 20 H CYS 20 -0.329 0.574 5.557 128 HA CYS 20 HA CYS 20 -1.446 1.002 2.959 129 1HB CYS 20 2HB CYS 20 -2.008 -0.989 4.262 130 2HB CYS 20 1HB CYS 20 -2.717 0.015 5.522 131 H SER 21 H SER 21 -2.504 2.730 2.256 132 HA SER 21 HA SER 21 -4.119 4.336 4.058 133 1HB SER 21 2HB SER 21 -1.853 5.548 2.442 134 2HB SER 21 1HB SER 21 -3.046 6.452 3.375 135 HG SER 21 HG SER 21 -1.937 4.598 4.948 136 H ASN 22 H ASN 22 -5.960 4.847 3.027 137 HA ASN 22 HA ASN 22 -7.532 5.038 1.396 138 1HB ASN 22 2HB ASN 22 -5.126 6.126 -0.059 139 2HB ASN 22 1HB ASN 22 -6.717 6.054 -0.810 140 1HD2 ASN 22 1HD2 ASN 22 -7.691 7.937 -0.755 141 2HD2 ASN 22 2HD2 ASN 22 -7.631 9.082 0.537 142 H ARG 23 H ARG 23 -6.321 2.545 1.773 143 HA ARG 23 HA ARG 23 -6.346 0.445 0.961 144 1HB ARG 23 2HB ARG 23 -7.846 1.731 -1.314 145 2HB ARG 23 1HB ARG 23 -7.606 -0.002 -1.160 146 1HG ARG 23 2HG ARG 23 -9.098 1.785 0.751 147 2HG ARG 23 1HG ARG 23 -9.794 0.598 -0.354 148 1HD ARG 23 2HD ARG 23 -8.617 -1.193 0.855 149 2HD ARG 23 1HD ARG 23 -7.961 0.003 1.971 150 HE ARG 23 HE ARG 23 -9.955 0.010 3.078 151 1HH1 ARG 23 1HH1 ARG 23 -10.431 -1.531 -0.027 152 2HH1 ARG 23 2HH1 ARG 23 -12.094 -1.913 0.269 153 1HH2 ARG 23 1HH2 ARG 23 -12.153 -0.503 3.481 154 2HH2 ARG 23 2HH2 ARG 23 -13.073 -1.328 2.268 155 H VAL 24 H VAL 24 -4.193 2.442 0.164 156 HA VAL 24 HA VAL 24 -2.892 0.614 -1.695 157 HB VAL 24 HB VAL 24 -3.786 2.386 -3.135 158 1HG1 VAL 24 1HG1 VAL 24 -3.566 4.124 -1.199 159 2HG1 VAL 24 2HG1 VAL 24 -3.438 4.635 -2.882 160 3HG1 VAL 24 3HG1 VAL 24 -1.981 4.414 -1.915 161 1HG2 VAL 24 1HG2 VAL 24 -1.962 2.427 -4.450 162 2HG2 VAL 24 2HG2 VAL 24 -1.303 1.351 -3.217 163 3HG2 VAL 24 3HG2 VAL 24 -0.925 3.073 -3.178 164 H CYS 25 H CYS 25 -0.671 0.457 -1.384 165 HA CYS 25 HA CYS 25 0.208 1.351 1.196 166 1HB CYS 25 2HB CYS 25 1.710 -0.165 -0.944 167 2HB CYS 25 1HB CYS 25 2.215 0.030 0.734 168 H TYR 26 H TYR 26 1.248 3.118 1.659 169 HA TYR 26 HA TYR 26 3.012 4.391 -0.301 170 1HB TYR 26 2HB TYR 26 0.549 5.579 0.872 171 2HB TYR 26 1HB TYR 26 1.964 6.611 0.785 172 HD1 TYR 26 HD1 TYR 26 2.095 7.982 -1.034 173 HD2 TYR 26 HD2 TYR 26 0.125 4.240 -1.470 174 HE1 TYR 26 HE1 TYR 26 1.546 8.549 -3.361 175 HE2 TYR 26 HE2 TYR 26 -0.423 4.794 -3.801 176 HH TYR 26 HH TYR 26 -0.635 6.641 -5.251 177 H ASN 27 H ASN 27 4.631 5.641 0.640 178 HA ASN 27 HA ASN 27 4.733 6.075 3.482 179 1HB ASN 27 2HB ASN 27 6.645 4.685 4.011 180 2HB ASN 27 1HB ASN 27 5.366 3.673 3.360 181 1HD2 ASN 27 1HD2 ASN 27 8.314 3.366 3.540 182 2HD2 ASN 27 2HD2 ASN 27 8.818 2.984 1.936 183 H GLY 28 H GLY 28 4.704 8.001 1.894 184 1HA GLY 28 2HA GLY 28 5.964 9.983 1.615 185 2HA GLY 28 1HA GLY 28 7.445 9.032 1.768 186 H ILE 29 H ILE 29 6.851 6.989 0.078 187 HA ILE 29 HA ILE 29 6.650 8.258 -2.566 188 HB ILE 29 HB ILE 29 8.137 6.443 -3.406 189 1HG1 ILE 29 2HG1 ILE 29 8.632 5.878 -0.471 190 2HG1 ILE 29 1HG1 ILE 29 7.718 4.837 -1.558 191 1HG2 ILE 29 1HG2 ILE 29 9.622 8.086 -3.266 192 2HG2 ILE 29 2HG2 ILE 29 10.114 7.430 -1.703 193 3HG2 ILE 29 3HG2 ILE 29 8.890 8.698 -1.782 194 1HD1 ILE 29 1HD1 ILE 29 9.890 4.821 -2.964 195 2HD1 ILE 29 2HD1 ILE 29 9.788 3.833 -1.507 196 3HD1 ILE 29 3HD1 ILE 29 10.651 5.370 -1.470 197 HA PRO 30 HA PRO 30 3.353 5.386 -3.159 198 1HB PRO 30 2HB PRO 30 3.896 5.157 -6.006 199 2HB PRO 30 1HB PRO 30 2.598 6.039 -5.199 200 1HG PRO 30 2HG PRO 30 4.644 7.260 -6.524 201 2HG PRO 30 1HG PRO 30 3.778 8.000 -5.166 202 1HD PRO 30 2HD PRO 30 6.441 6.631 -5.200 203 2HD PRO 30 1HD PRO 30 5.936 8.095 -4.328 Start of MODEL 12 1 H CYS 1 H CYS 1 3.415 3.109 -2.653 2 HA CYS 1 HA CYS 1 5.584 1.628 -3.893 3 1HB CYS 1 2HB CYS 1 3.644 1.072 -1.703 4 2HB CYS 1 1HB CYS 1 4.426 -0.273 -2.509 5 H ALA 2 H ALA 2 5.050 -0.609 -4.756 6 HA ALA 2 HA ALA 2 2.908 -0.281 -6.701 7 1HB ALA 2 1HB ALA 2 4.174 -1.439 -8.149 8 2HB ALA 2 2HB ALA 2 4.629 -2.641 -6.942 9 3HB ALA 2 3HB ALA 2 5.482 -1.099 -7.015 10 H GLU 3 H GLU 3 2.008 -0.798 -4.172 11 HA GLU 3 HA GLU 3 0.688 -3.355 -4.588 12 1HB GLU 3 2HB GLU 3 2.335 -2.664 -2.168 13 2HB GLU 3 1HB GLU 3 0.959 -3.744 -2.029 14 1HG GLU 3 2HG GLU 3 2.002 -5.193 -3.756 15 2HG GLU 3 1HG GLU 3 3.413 -4.145 -3.719 16 H SER 4 H SER 4 -1.381 -3.357 -3.930 17 HA SER 4 HA SER 4 -2.349 -0.933 -2.585 18 1HB SER 4 2HB SER 4 -4.576 -1.703 -3.756 19 2HB SER 4 1HB SER 4 -3.366 -0.800 -4.663 20 HG SER 4 HG SER 4 -3.079 -2.478 -5.896 21 H CYS 5 H CYS 5 -3.310 -1.236 -0.685 22 HA CYS 5 HA CYS 5 -3.549 -3.965 0.262 23 1HB CYS 5 2HB CYS 5 -4.026 -2.831 2.478 24 2HB CYS 5 1HB CYS 5 -2.439 -2.551 1.776 25 H VAL 6 H VAL 6 -5.468 -2.275 -1.513 26 HA VAL 6 HA VAL 6 -7.907 -1.729 -0.695 27 HB VAL 6 HB VAL 6 -7.442 -3.666 -2.963 28 1HG1 VAL 6 1HG1 VAL 6 -9.494 -1.763 -3.473 29 2HG1 VAL 6 2HG1 VAL 6 -9.822 -2.539 -1.924 30 3HG1 VAL 6 3HG1 VAL 6 -9.615 -3.519 -3.376 31 1HG2 VAL 6 1HG2 VAL 6 -7.700 -0.748 -3.416 32 2HG2 VAL 6 2HG2 VAL 6 -6.779 -1.959 -4.308 33 3HG2 VAL 6 3HG2 VAL 6 -6.169 -1.342 -2.773 34 H TYR 7 H TYR 7 -6.907 -5.131 -1.111 35 HA TYR 7 HA TYR 7 -9.020 -5.873 0.795 36 1HB TYR 7 2HB TYR 7 -8.543 -6.918 -1.947 37 2HB TYR 7 1HB TYR 7 -8.989 -8.075 -0.704 38 HD1 TYR 7 HD1 TYR 7 -10.099 -4.654 -1.748 39 HD2 TYR 7 HD2 TYR 7 -11.232 -8.610 -0.677 40 HE1 TYR 7 HE1 TYR 7 -12.460 -4.052 -2.057 41 HE2 TYR 7 HE2 TYR 7 -13.601 -8.018 -0.986 42 HH TYR 7 HH TYR 7 -14.974 -6.413 -2.070 43 H ILE 8 H ILE 8 -5.831 -5.751 0.351 44 HA ILE 8 HA ILE 8 -5.320 -7.920 2.215 45 HB ILE 8 HB ILE 8 -3.340 -8.703 0.763 46 1HG1 ILE 8 2HG1 ILE 8 -5.111 -7.571 -1.413 47 2HG1 ILE 8 1HG1 ILE 8 -3.542 -6.929 -0.939 48 1HG2 ILE 8 1HG2 ILE 8 -5.326 -9.976 -0.700 49 2HG2 ILE 8 2HG2 ILE 8 -6.101 -9.527 0.820 50 3HG2 ILE 8 3HG2 ILE 8 -4.629 -10.501 0.833 51 1HD1 ILE 8 1HD1 ILE 8 -2.542 -8.307 -2.345 52 2HD1 ILE 8 2HD1 ILE 8 -4.118 -8.921 -2.845 53 3HD1 ILE 8 3HD1 ILE 8 -3.249 -9.696 -1.522 54 HA PRO 9 HA PRO 9 -2.447 -4.912 3.719 55 1HB PRO 9 2HB PRO 9 -0.806 -6.627 5.104 56 2HB PRO 9 1HB PRO 9 -2.339 -5.998 5.710 57 1HG PRO 9 2HG PRO 9 -1.731 -8.641 4.456 58 2HG PRO 9 1HG PRO 9 -2.792 -8.269 5.827 59 1HD PRO 9 2HD PRO 9 -3.763 -8.759 3.362 60 2HD PRO 9 1HD PRO 9 -4.530 -7.593 4.459 61 H CYS 10 H CYS 10 -0.395 -4.152 3.341 62 HA CYS 10 HA CYS 10 0.882 -4.838 0.954 63 1HB CYS 10 2HB CYS 10 2.191 -3.432 3.289 64 2HB CYS 10 1HB CYS 10 2.556 -3.241 1.577 65 H THR 11 H THR 11 2.605 -6.140 0.452 66 HA THR 11 HA THR 11 3.652 -7.779 2.671 67 HB THR 11 HB THR 11 3.344 -8.622 -0.217 68 HG1 THR 11 HG1 THR 11 1.405 -8.326 1.351 69 1HG2 THR 11 1HG2 THR 11 4.781 -9.733 2.024 70 2HG2 THR 11 2HG2 THR 11 4.741 -10.271 0.346 71 3HG2 THR 11 3HG2 THR 11 3.519 -10.842 1.483 72 H VAL 12 H VAL 12 4.636 -7.217 -0.727 73 HA VAL 12 HA VAL 12 7.401 -7.367 -0.132 74 HB VAL 12 HB VAL 12 6.153 -5.929 -2.483 75 1HG1 VAL 12 1HG1 VAL 12 8.780 -7.358 -2.492 76 2HG1 VAL 12 2HG1 VAL 12 8.658 -5.702 -1.900 77 3HG1 VAL 12 3HG1 VAL 12 8.198 -6.082 -3.560 78 1HG2 VAL 12 1HG2 VAL 12 7.124 -8.695 -2.811 79 2HG2 VAL 12 2HG2 VAL 12 5.763 -7.865 -3.566 80 3HG2 VAL 12 3HG2 VAL 12 5.612 -8.494 -1.925 81 H THR 13 H THR 13 5.235 -4.653 -0.740 82 HA THR 13 HA THR 13 7.199 -2.663 -0.314 83 HB THR 13 HB THR 13 5.410 -1.075 -0.410 84 HG1 THR 13 HG1 THR 13 3.525 -3.207 -0.340 85 1HG2 THR 13 1HG2 THR 13 5.405 -3.402 -2.253 86 2HG2 THR 13 2HG2 THR 13 5.769 -1.706 -2.575 87 3HG2 THR 13 3HG2 THR 13 4.093 -2.236 -2.417 88 H ALA 14 H ALA 14 5.563 -4.671 1.854 89 HA ALA 14 HA ALA 14 5.361 -2.905 4.074 90 1HB ALA 14 1HB ALA 14 5.793 -5.856 4.387 91 2HB ALA 14 2HB ALA 14 4.268 -5.239 3.750 92 3HB ALA 14 3HB ALA 14 4.807 -4.764 5.360 93 H LEU 15 H LEU 15 7.825 -4.967 2.708 94 HA LEU 15 HA LEU 15 9.699 -4.754 4.831 95 1HB LEU 15 2HB LEU 15 9.790 -6.521 3.107 96 2HB LEU 15 1HB LEU 15 10.158 -5.309 1.897 97 HG LEU 15 HG LEU 15 12.271 -4.800 3.115 98 1HD1 LEU 15 1HD1 LEU 15 11.190 -6.912 4.909 99 2HD1 LEU 15 2HD1 LEU 15 12.070 -5.436 5.301 100 3HD1 LEU 15 3HD1 LEU 15 12.932 -6.831 4.653 101 1HD2 LEU 15 1HD2 LEU 15 11.611 -7.298 1.731 102 2HD2 LEU 15 2HD2 LEU 15 13.099 -7.354 2.677 103 3HD2 LEU 15 3HD2 LEU 15 12.897 -6.131 1.422 104 H LEU 16 H LEU 16 8.763 -2.773 2.185 105 HA LEU 16 HA LEU 16 11.091 -1.060 2.264 106 1HB LEU 16 2HB LEU 16 8.423 -0.518 0.961 107 2HB LEU 16 1HB LEU 16 9.937 0.302 0.638 108 HG LEU 16 HG LEU 16 9.356 -2.593 0.001 109 1HD1 LEU 16 1HD1 LEU 16 8.692 -1.974 -2.038 110 2HD1 LEU 16 2HD1 LEU 16 9.962 -0.759 -2.181 111 3HD1 LEU 16 3HD1 LEU 16 8.464 -0.373 -1.334 112 1HD2 LEU 16 1HD2 LEU 16 11.561 -2.837 -0.106 113 2HD2 LEU 16 2HD2 LEU 16 11.819 -1.126 0.239 114 3HD2 LEU 16 3HD2 LEU 16 11.577 -1.663 -1.423 115 H GLY 17 H GLY 17 8.125 -1.345 3.912 116 1HA GLY 17 2HA GLY 17 7.753 -0.199 5.970 117 2HA GLY 17 1HA GLY 17 8.676 1.158 5.342 118 H CYS 18 H CYS 18 6.561 -0.086 3.020 119 HA CYS 18 HA CYS 18 4.962 2.273 3.103 120 1HB CYS 18 2HB CYS 18 5.125 -0.095 1.339 121 2HB CYS 18 1HB CYS 18 3.603 0.781 1.361 122 H SER 19 H SER 19 3.263 2.655 4.239 123 HA SER 19 HA SER 19 1.901 0.454 5.591 124 1HB SER 19 2HB SER 19 2.728 2.391 6.931 125 2HB SER 19 1HB SER 19 1.625 3.438 6.039 126 HG SER 19 HG SER 19 0.444 2.900 7.752 127 H CYS 20 H CYS 20 -0.420 0.389 5.635 128 HA CYS 20 HA CYS 20 -1.564 0.803 3.056 129 1HB CYS 20 2HB CYS 20 -2.174 -1.114 4.490 130 2HB CYS 20 1HB CYS 20 -2.887 -0.007 5.657 131 H SER 21 H SER 21 -2.371 2.645 2.326 132 HA SER 21 HA SER 21 -3.894 4.377 4.124 133 1HB SER 21 2HB SER 21 -1.669 5.396 2.330 134 2HB SER 21 1HB SER 21 -2.717 6.383 3.349 135 HG SER 21 HG SER 21 -1.567 4.433 4.806 136 H ASN 22 H ASN 22 -5.793 4.722 3.182 137 HA ASN 22 HA ASN 22 -7.445 4.899 1.631 138 1HB ASN 22 2HB ASN 22 -5.146 6.126 0.117 139 2HB ASN 22 1HB ASN 22 -6.757 6.009 -0.577 140 1HD2 ASN 22 1HD2 ASN 22 -7.769 7.868 -0.452 141 2HD2 ASN 22 2HD2 ASN 22 -7.721 8.969 0.878 142 H ARG 23 H ARG 23 -6.103 2.445 1.872 143 HA ARG 23 HA ARG 23 -6.092 0.374 0.981 144 1HB ARG 23 2HB ARG 23 -7.764 1.768 -1.086 145 2HB ARG 23 1HB ARG 23 -7.296 0.084 -1.286 146 1HG ARG 23 2HG ARG 23 -8.354 -0.436 0.880 147 2HG ARG 23 1HG ARG 23 -8.880 1.243 0.998 148 1HD ARG 23 2HD ARG 23 -10.334 1.030 -0.835 149 2HD ARG 23 1HD ARG 23 -9.576 -0.470 -1.368 150 HE ARG 23 HE ARG 23 -10.632 -0.875 1.193 151 1HH1 ARG 23 1HH1 ARG 23 -11.751 -0.275 -2.065 152 2HH1 ARG 23 2HH1 ARG 23 -13.234 -1.146 -1.859 153 1HH2 ARG 23 1HH2 ARG 23 -12.590 -2.035 1.476 154 2HH2 ARG 23 2HH2 ARG 23 -13.711 -2.152 0.161 155 H VAL 24 H VAL 24 -4.056 2.507 0.275 156 HA VAL 24 HA VAL 24 -2.699 0.935 -1.804 157 HB VAL 24 HB VAL 24 -2.679 3.963 -1.669 158 1HG1 VAL 24 1HG1 VAL 24 -0.935 3.964 -3.055 159 2HG1 VAL 24 2HG1 VAL 24 -1.662 2.737 -4.092 160 3HG1 VAL 24 3HG1 VAL 24 -0.745 2.253 -2.665 161 1HG2 VAL 24 1HG2 VAL 24 -4.073 4.058 -3.516 162 2HG2 VAL 24 2HG2 VAL 24 -4.778 2.742 -2.577 163 3HG2 VAL 24 3HG2 VAL 24 -3.756 2.384 -3.970 164 H CYS 25 H CYS 25 -0.526 0.598 -1.395 165 HA CYS 25 HA CYS 25 0.374 1.226 1.264 166 1HB CYS 25 2HB CYS 25 1.882 -0.107 -0.995 167 2HB CYS 25 1HB CYS 25 2.299 -0.149 0.714 168 H TYR 26 H TYR 26 1.358 3.041 1.829 169 HA TYR 26 HA TYR 26 3.042 4.451 -0.138 170 1HB TYR 26 2HB TYR 26 0.778 5.465 -0.048 171 2HB TYR 26 1HB TYR 26 0.998 5.755 1.671 172 HD1 TYR 26 HD1 TYR 26 2.726 6.467 -1.569 173 HD2 TYR 26 HD2 TYR 26 1.681 7.866 2.310 174 HE1 TYR 26 HE1 TYR 26 3.733 8.648 -2.090 175 HE2 TYR 26 HE2 TYR 26 2.685 10.051 1.799 176 HH TYR 26 HH TYR 26 4.752 10.576 -0.740 177 H ASN 27 H ASN 27 4.791 5.486 0.644 178 HA ASN 27 HA ASN 27 5.215 5.992 3.438 179 1HB ASN 27 2HB ASN 27 5.763 3.669 3.553 180 2HB ASN 27 1HB ASN 27 6.726 3.747 2.085 181 1HD2 ASN 27 1HD2 ASN 27 8.707 3.278 2.687 182 2HD2 ASN 27 2HD2 ASN 27 9.570 4.004 3.988 183 H GLY 28 H GLY 28 5.253 8.002 2.228 184 1HA GLY 28 2HA GLY 28 6.569 9.849 1.652 185 2HA GLY 28 1HA GLY 28 7.972 8.782 1.563 186 H ILE 29 H ILE 29 7.234 6.898 -0.108 187 HA ILE 29 HA ILE 29 6.577 8.247 -2.638 188 HB ILE 29 HB ILE 29 8.015 6.562 -3.760 189 1HG1 ILE 29 2HG1 ILE 29 8.947 5.882 -0.959 190 2HG1 ILE 29 1HG1 ILE 29 7.908 4.858 -1.944 191 1HG2 ILE 29 1HG2 ILE 29 9.214 8.481 -3.641 192 2HG2 ILE 29 2HG2 ILE 29 10.229 7.497 -2.588 193 3HG2 ILE 29 3HG2 ILE 29 9.051 8.607 -1.890 194 1HD1 ILE 29 1HD1 ILE 29 9.628 4.057 -3.112 195 2HD1 ILE 29 2HD1 ILE 29 10.622 4.698 -1.805 196 3HD1 ILE 29 3HD1 ILE 29 10.381 5.643 -3.275 197 HA PRO 30 HA PRO 30 3.362 5.260 -2.877 198 1HB PRO 30 2HB PRO 30 2.956 5.133 -5.542 199 2HB PRO 30 1HB PRO 30 2.515 6.549 -4.588 200 1HG PRO 30 2HG PRO 30 4.876 6.107 -6.354 201 2HG PRO 30 1HG PRO 30 3.909 7.573 -6.117 202 1HD PRO 30 2HD PRO 30 6.356 7.116 -4.942 203 2HD PRO 30 1HD PRO 30 5.126 8.218 -4.297 Start of MODEL 13 1 H CYS 1 H CYS 1 3.392 3.111 -2.581 2 HA CYS 1 HA CYS 1 5.560 1.664 -3.861 3 1HB CYS 1 2HB CYS 1 3.679 1.055 -1.630 4 2HB CYS 1 1HB CYS 1 4.510 -0.256 -2.442 5 H ALA 2 H ALA 2 5.120 -0.507 -4.762 6 HA ALA 2 HA ALA 2 2.930 -0.285 -6.647 7 1HB ALA 2 1HB ALA 2 4.122 -1.624 -8.056 8 2HB ALA 2 2HB ALA 2 4.825 -2.570 -6.743 9 3HB ALA 2 3HB ALA 2 5.445 -0.957 -7.100 10 H GLU 3 H GLU 3 1.943 -0.757 -4.173 11 HA GLU 3 HA GLU 3 0.703 -3.358 -4.545 12 1HB GLU 3 2HB GLU 3 2.231 -2.577 -2.070 13 2HB GLU 3 1HB GLU 3 0.908 -3.726 -1.995 14 1HG GLU 3 2HG GLU 3 2.154 -5.070 -3.738 15 2HG GLU 3 1HG GLU 3 3.521 -3.998 -3.446 16 H SER 4 H SER 4 -1.377 -3.423 -3.862 17 HA SER 4 HA SER 4 -2.425 -0.989 -2.593 18 1HB SER 4 2HB SER 4 -4.617 -1.846 -3.800 19 2HB SER 4 1HB SER 4 -3.431 -0.874 -4.666 20 HG SER 4 HG SER 4 -2.991 -2.526 -5.898 21 H CYS 5 H CYS 5 -3.351 -1.298 -0.692 22 HA CYS 5 HA CYS 5 -3.580 -4.009 0.290 23 1HB CYS 5 2HB CYS 5 -4.090 -2.846 2.475 24 2HB CYS 5 1HB CYS 5 -2.509 -2.530 1.776 25 H VAL 6 H VAL 6 -5.560 -2.288 -1.481 26 HA VAL 6 HA VAL 6 -8.008 -1.871 -0.528 27 HB VAL 6 HB VAL 6 -7.664 -3.589 -2.981 28 1HG1 VAL 6 1HG1 VAL 6 -9.905 -2.398 -1.771 29 2HG1 VAL 6 2HG1 VAL 6 -9.815 -3.187 -3.345 30 3HG1 VAL 6 3HG1 VAL 6 -9.550 -1.449 -3.216 31 1HG2 VAL 6 1HG2 VAL 6 -6.802 -1.890 -4.184 32 2HG2 VAL 6 2HG2 VAL 6 -6.220 -1.343 -2.611 33 3HG2 VAL 6 3HG2 VAL 6 -7.698 -0.660 -3.292 34 H TYR 7 H TYR 7 -6.791 -5.156 -1.185 35 HA TYR 7 HA TYR 7 -9.050 -6.178 0.404 36 1HB TYR 7 2HB TYR 7 -7.918 -7.143 -2.182 37 2HB TYR 7 1HB TYR 7 -8.560 -8.324 -1.052 38 HD1 TYR 7 HD1 TYR 7 -10.720 -8.986 -1.465 39 HD2 TYR 7 HD2 TYR 7 -9.606 -4.996 -2.429 40 HE1 TYR 7 HE1 TYR 7 -12.986 -8.566 -2.320 41 HE2 TYR 7 HE2 TYR 7 -11.870 -4.564 -3.283 42 HH TYR 7 HH TYR 7 -14.251 -5.618 -2.803 43 H ILE 8 H ILE 8 -5.731 -5.867 0.297 44 HA ILE 8 HA ILE 8 -5.375 -7.782 2.440 45 HB ILE 8 HB ILE 8 -3.301 -8.755 1.209 46 1HG1 ILE 8 2HG1 ILE 8 -5.032 -8.031 -1.164 47 2HG1 ILE 8 1HG1 ILE 8 -3.489 -7.285 -0.765 48 1HG2 ILE 8 1HG2 ILE 8 -4.717 -10.420 1.740 49 2HG2 ILE 8 2HG2 ILE 8 -5.006 -10.424 0.000 50 3HG2 ILE 8 3HG2 ILE 8 -6.125 -9.587 1.078 51 1HD1 ILE 8 1HD1 ILE 8 -2.918 -9.987 -0.840 52 2HD1 ILE 8 2HD1 ILE 8 -2.564 -8.797 -2.094 53 3HD1 ILE 8 3HD1 ILE 8 -4.049 -9.744 -2.172 54 HA PRO 9 HA PRO 9 -2.481 -4.696 3.732 55 1HB PRO 9 2HB PRO 9 -1.056 -6.911 5.079 56 2HB PRO 9 1HB PRO 9 -1.757 -5.442 5.765 57 1HG PRO 9 2HG PRO 9 -2.911 -7.826 6.131 58 2HG PRO 9 1HG PRO 9 -3.878 -6.357 5.903 59 1HD PRO 9 2HD PRO 9 -3.252 -8.540 3.953 60 2HD PRO 9 1HD PRO 9 -4.771 -7.651 4.203 61 H CYS 10 H CYS 10 -0.452 -3.952 3.248 62 HA CYS 10 HA CYS 10 0.834 -4.808 0.948 63 1HB CYS 10 2HB CYS 10 2.222 -3.314 3.170 64 2HB CYS 10 1HB CYS 10 2.482 -3.172 1.434 65 H THR 11 H THR 11 2.549 -6.157 0.514 66 HA THR 11 HA THR 11 3.646 -7.616 2.829 67 HB THR 11 HB THR 11 3.206 -8.737 0.056 68 HG1 THR 11 HG1 THR 11 1.322 -8.243 1.619 69 1HG2 THR 11 1HG2 THR 11 4.978 -9.598 1.927 70 2HG2 THR 11 2HG2 THR 11 4.194 -10.649 0.747 71 3HG2 THR 11 3HG2 THR 11 3.541 -10.515 2.380 72 H VAL 12 H VAL 12 4.431 -7.214 -0.650 73 HA VAL 12 HA VAL 12 7.210 -7.512 -0.292 74 HB VAL 12 HB VAL 12 5.902 -5.901 -2.487 75 1HG1 VAL 12 1HG1 VAL 12 8.324 -7.615 -2.806 76 2HG1 VAL 12 2HG1 VAL 12 8.472 -6.010 -2.092 77 3HG1 VAL 12 3HG1 VAL 12 7.824 -6.194 -3.721 78 1HG2 VAL 12 1HG2 VAL 12 6.522 -8.694 -3.077 79 2HG2 VAL 12 2HG2 VAL 12 5.106 -7.727 -3.494 80 3HG2 VAL 12 3HG2 VAL 12 5.224 -8.478 -1.902 81 H THR 13 H THR 13 5.274 -4.598 -0.818 82 HA THR 13 HA THR 13 7.434 -2.816 -0.364 83 HB THR 13 HB THR 13 5.821 -1.052 -0.517 84 HG1 THR 13 HG1 THR 13 3.794 -3.064 -0.369 85 1HG2 THR 13 1HG2 THR 13 5.994 -1.549 -2.695 86 2HG2 THR 13 2HG2 THR 13 4.414 -2.316 -2.529 87 3HG2 THR 13 3HG2 THR 13 5.883 -3.283 -2.391 88 H ALA 14 H ALA 14 5.791 -4.727 1.779 89 HA ALA 14 HA ALA 14 5.556 -2.913 3.974 90 1HB ALA 14 1HB ALA 14 4.206 -4.779 4.260 91 2HB ALA 14 2HB ALA 14 5.580 -5.153 5.299 92 3HB ALA 14 3HB ALA 14 5.453 -5.893 3.704 93 H LEU 15 H LEU 15 8.033 -4.852 2.526 94 HA LEU 15 HA LEU 15 9.876 -4.780 4.714 95 1HB LEU 15 2HB LEU 15 10.407 -5.162 1.762 96 2HB LEU 15 1HB LEU 15 11.535 -5.507 3.058 97 HG LEU 15 HG LEU 15 8.916 -6.940 2.607 98 1HD1 LEU 15 1HD1 LEU 15 10.728 -8.834 2.250 99 2HD1 LEU 15 2HD1 LEU 15 11.704 -7.458 1.735 100 3HD1 LEU 15 3HD1 LEU 15 10.177 -7.809 0.925 101 1HD2 LEU 15 1HD2 LEU 15 9.850 -6.709 4.989 102 2HD2 LEU 15 2HD2 LEU 15 11.131 -7.790 4.440 103 3HD2 LEU 15 3HD2 LEU 15 9.451 -8.326 4.406 104 H LEU 16 H LEU 16 8.889 -2.722 2.201 105 HA LEU 16 HA LEU 16 11.155 -0.934 2.314 106 1HB LEU 16 2HB LEU 16 8.476 -0.768 0.935 107 2HB LEU 16 1HB LEU 16 9.668 0.506 0.857 108 HG LEU 16 HG LEU 16 9.682 -0.864 -1.159 109 1HD1 LEU 16 1HD1 LEU 16 12.047 -0.688 0.609 110 2HD1 LEU 16 2HD1 LEU 16 11.753 0.039 -0.970 111 3HD1 LEU 16 3HD1 LEU 16 12.190 -1.665 -0.852 112 1HD2 LEU 16 1HD2 LEU 16 9.260 -3.033 -0.973 113 2HD2 LEU 16 2HD2 LEU 16 9.712 -3.059 0.732 114 3HD2 LEU 16 3HD2 LEU 16 10.954 -3.209 -0.513 115 H GLY 17 H GLY 17 8.182 -1.406 3.915 116 1HA GLY 17 2HA GLY 17 7.696 -0.370 5.995 117 2HA GLY 17 1HA GLY 17 8.629 1.029 5.484 118 H CYS 18 H CYS 18 6.559 -0.148 3.052 119 HA CYS 18 HA CYS 18 4.972 2.215 3.167 120 1HB CYS 18 2HB CYS 18 5.152 -0.102 1.343 121 2HB CYS 18 1HB CYS 18 3.623 0.759 1.378 122 H SER 19 H SER 19 3.236 2.603 4.237 123 HA SER 19 HA SER 19 1.853 0.404 5.570 124 1HB SER 19 2HB SER 19 0.783 2.373 6.843 125 2HB SER 19 1HB SER 19 2.492 2.046 7.136 126 HG SER 19 HG SER 19 3.043 3.819 6.037 127 H CYS 20 H CYS 20 -0.452 0.321 5.587 128 HA CYS 20 HA CYS 20 -1.594 0.832 3.022 129 1HB CYS 20 2HB CYS 20 -2.196 -1.167 4.300 130 2HB CYS 20 1HB CYS 20 -2.859 -0.164 5.586 131 H SER 21 H SER 21 -2.524 2.643 2.374 132 HA SER 21 HA SER 21 -4.123 4.224 4.209 133 1HB SER 21 2HB SER 21 -1.786 5.140 4.378 134 2HB SER 21 1HB SER 21 -1.853 5.495 2.653 135 HG SER 21 HG SER 21 -2.723 6.985 4.646 136 H ASN 22 H ASN 22 -5.933 4.740 3.166 137 HA ASN 22 HA ASN 22 -7.468 5.035 1.520 138 1HB ASN 22 2HB ASN 22 -5.051 6.230 0.168 139 2HB ASN 22 1HB ASN 22 -6.652 6.240 -0.563 140 1HD2 ASN 22 1HD2 ASN 22 -4.567 8.054 1.126 141 2HD2 ASN 22 2HD2 ASN 22 -5.666 9.102 1.945 142 H ARG 23 H ARG 23 -6.261 2.525 1.730 143 HA ARG 23 HA ARG 23 -6.334 0.495 0.755 144 1HB ARG 23 2HB ARG 23 -7.644 2.035 -1.476 145 2HB ARG 23 1HB ARG 23 -7.358 0.305 -1.571 146 1HG ARG 23 2HG ARG 23 -9.559 0.471 -0.852 147 2HG ARG 23 1HG ARG 23 -8.658 0.161 0.632 148 1HD ARG 23 2HD ARG 23 -8.669 2.577 1.113 149 2HD ARG 23 1HD ARG 23 -9.623 2.846 -0.345 150 HE ARG 23 HE ARG 23 -10.932 0.964 1.284 151 1HH1 ARG 23 1HH1 ARG 23 -10.154 4.373 1.186 152 2HH1 ARG 23 2HH1 ARG 23 -11.517 4.851 2.144 153 1HH2 ARG 23 1HH2 ARG 23 -12.741 1.581 2.556 154 2HH2 ARG 23 2HH2 ARG 23 -12.993 3.255 2.927 155 H VAL 24 H VAL 24 -4.158 2.699 0.047 156 HA VAL 24 HA VAL 24 -2.744 0.885 -1.780 157 HB VAL 24 HB VAL 24 -1.629 2.816 -2.867 158 1HG1 VAL 24 1HG1 VAL 24 -4.589 2.441 -3.101 159 2HG1 VAL 24 2HG1 VAL 24 -3.304 1.902 -4.183 160 3HG1 VAL 24 3HG1 VAL 24 -3.743 3.608 -4.119 161 1HG2 VAL 24 1HG2 VAL 24 -1.744 4.729 -1.684 162 2HG2 VAL 24 2HG2 VAL 24 -3.299 4.316 -0.960 163 3HG2 VAL 24 3HG2 VAL 24 -3.233 4.967 -2.598 164 H CYS 25 H CYS 25 -0.499 0.746 -1.477 165 HA CYS 25 HA CYS 25 0.314 1.332 1.231 166 1HB CYS 25 2HB CYS 25 1.880 0.021 -1.002 167 2HB CYS 25 1HB CYS 25 2.253 -0.033 0.718 168 H TYR 26 H TYR 26 1.410 3.081 1.854 169 HA TYR 26 HA TYR 26 3.057 4.518 -0.118 170 1HB TYR 26 2HB TYR 26 0.802 5.559 0.043 171 2HB TYR 26 1HB TYR 26 1.083 5.840 1.754 172 HD1 TYR 26 HD1 TYR 26 1.876 7.914 2.391 173 HD2 TYR 26 HD2 TYR 26 2.670 6.539 -1.554 174 HE1 TYR 26 HE1 TYR 26 2.903 10.081 1.848 175 HE2 TYR 26 HE2 TYR 26 3.703 8.699 -2.107 176 HH TYR 26 HH TYR 26 4.867 10.591 -0.725 177 H ASN 27 H ASN 27 4.839 5.499 0.656 178 HA ASN 27 HA ASN 27 5.318 5.949 3.449 179 1HB ASN 27 2HB ASN 27 5.799 3.613 3.529 180 2HB ASN 27 1HB ASN 27 6.735 3.676 2.043 181 1HD2 ASN 27 1HD2 ASN 27 8.717 3.164 2.577 182 2HD2 ASN 27 2HD2 ASN 27 9.627 3.827 3.879 183 H GLY 28 H GLY 28 5.394 7.971 2.243 184 1HA GLY 28 2HA GLY 28 6.791 9.775 1.699 185 2HA GLY 28 1HA GLY 28 8.136 8.645 1.525 186 H ILE 29 H ILE 29 7.264 6.840 -0.181 187 HA ILE 29 HA ILE 29 6.467 8.302 -2.602 188 HB ILE 29 HB ILE 29 7.902 7.003 -3.979 189 1HG1 ILE 29 2HG1 ILE 29 7.608 4.848 -2.691 190 2HG1 ILE 29 1HG1 ILE 29 9.227 5.135 -3.309 191 1HG2 ILE 29 1HG2 ILE 29 9.587 7.714 -1.592 192 2HG2 ILE 29 2HG2 ILE 29 8.945 8.888 -2.742 193 3HG2 ILE 29 3HG2 ILE 29 10.085 7.655 -3.283 194 1HD1 ILE 29 1HD1 ILE 29 8.947 4.209 -0.937 195 2HD1 ILE 29 2HD1 ILE 29 8.510 5.861 -0.500 196 3HD1 ILE 29 3HD1 ILE 29 10.095 5.522 -1.196 197 HA PRO 30 HA PRO 30 3.283 5.261 -2.833 198 1HB PRO 30 2HB PRO 30 3.347 5.241 -5.741 199 2HB PRO 30 1HB PRO 30 2.149 5.966 -4.667 200 1HG PRO 30 2HG PRO 30 3.839 7.434 -6.212 201 2HG PRO 30 1HG PRO 30 3.197 8.005 -4.662 202 1HD PRO 30 2HD PRO 30 5.883 6.835 -5.286 203 2HD PRO 30 1HD PRO 30 5.467 8.201 -4.228 Start of MODEL 14 1 H CYS 1 H CYS 1 3.411 3.125 -2.693 2 HA CYS 1 HA CYS 1 5.612 1.627 -3.861 3 1HB CYS 1 2HB CYS 1 3.661 1.124 -1.671 4 2HB CYS 1 1HB CYS 1 4.402 -0.254 -2.460 5 H ALA 2 H ALA 2 5.072 -0.642 -4.678 6 HA ALA 2 HA ALA 2 2.955 -0.330 -6.653 7 1HB ALA 2 1HB ALA 2 4.038 -2.241 -7.792 8 2HB ALA 2 2HB ALA 2 5.230 -2.301 -6.495 9 3HB ALA 2 3HB ALA 2 5.132 -0.881 -7.535 10 H GLU 3 H GLU 3 1.991 -0.774 -4.147 11 HA GLU 3 HA GLU 3 0.667 -3.332 -4.514 12 1HB GLU 3 2HB GLU 3 2.326 -2.618 -2.117 13 2HB GLU 3 1HB GLU 3 0.932 -3.671 -1.943 14 1HG GLU 3 2HG GLU 3 1.942 -5.161 -3.668 15 2HG GLU 3 1HG GLU 3 3.376 -4.145 -3.628 16 H SER 4 H SER 4 -1.402 -3.307 -3.912 17 HA SER 4 HA SER 4 -2.388 -0.902 -2.545 18 1HB SER 4 2HB SER 4 -4.605 -1.681 -3.749 19 2HB SER 4 1HB SER 4 -3.401 -0.735 -4.620 20 HG SER 4 HG SER 4 -3.153 -2.360 -5.921 21 H CYS 5 H CYS 5 -3.364 -1.241 -0.654 22 HA CYS 5 HA CYS 5 -3.554 -3.977 0.265 23 1HB CYS 5 2HB CYS 5 -4.131 -2.860 2.475 24 2HB CYS 5 1HB CYS 5 -2.531 -2.549 1.818 25 H VAL 6 H VAL 6 -5.554 -2.185 -1.455 26 HA VAL 6 HA VAL 6 -8.026 -1.913 -0.480 27 HB VAL 6 HB VAL 6 -7.620 -3.404 -3.067 28 1HG1 VAL 6 1HG1 VAL 6 -9.871 -3.251 -2.916 29 2HG1 VAL 6 2HG1 VAL 6 -9.565 -1.638 -3.561 30 3HG1 VAL 6 3HG1 VAL 6 -9.817 -1.862 -1.830 31 1HG2 VAL 6 1HG2 VAL 6 -6.854 -1.567 -4.141 32 2HG2 VAL 6 2HG2 VAL 6 -6.228 -1.178 -2.538 33 3HG2 VAL 6 3HG2 VAL 6 -7.736 -0.453 -3.097 34 H TYR 7 H TYR 7 -6.693 -5.079 -1.419 35 HA TYR 7 HA TYR 7 -9.010 -6.329 -0.104 36 1HB TYR 7 2HB TYR 7 -7.311 -7.260 -2.405 37 2HB TYR 7 1HB TYR 7 -8.345 -8.356 -1.505 38 HD1 TYR 7 HD1 TYR 7 -8.478 -5.145 -3.403 39 HD2 TYR 7 HD2 TYR 7 -10.543 -8.658 -2.188 40 HE1 TYR 7 HE1 TYR 7 -10.373 -4.518 -4.838 41 HE2 TYR 7 HE2 TYR 7 -12.444 -8.042 -3.621 42 HH TYR 7 HH TYR 7 -13.235 -6.600 -5.113 43 H ILE 8 H ILE 8 -5.628 -5.931 0.096 44 HA ILE 8 HA ILE 8 -5.473 -7.708 2.374 45 HB ILE 8 HB ILE 8 -3.348 -8.813 1.364 46 1HG1 ILE 8 2HG1 ILE 8 -4.884 -8.222 -1.173 47 2HG1 ILE 8 1HG1 ILE 8 -3.355 -7.481 -0.715 48 1HG2 ILE 8 1HG2 ILE 8 -4.920 -10.577 0.215 49 2HG2 ILE 8 2HG2 ILE 8 -6.182 -9.603 0.970 50 3HG2 ILE 8 3HG2 ILE 8 -4.924 -10.340 1.962 51 1HD1 ILE 8 1HD1 ILE 8 -3.650 -10.448 -1.020 52 2HD1 ILE 8 2HD1 ILE 8 -2.175 -9.480 -1.010 53 3HD1 ILE 8 3HD1 ILE 8 -3.280 -9.392 -2.383 54 HA PRO 9 HA PRO 9 -2.539 -4.692 3.712 55 1HB PRO 9 2HB PRO 9 -1.148 -6.928 5.069 56 2HB PRO 9 1HB PRO 9 -1.828 -5.446 5.748 57 1HG PRO 9 2HG PRO 9 -3.030 -7.799 6.113 58 2HG PRO 9 1HG PRO 9 -3.971 -6.318 5.853 59 1HD PRO 9 2HD PRO 9 -3.340 -8.528 3.933 60 2HD PRO 9 1HD PRO 9 -4.852 -7.621 4.151 61 H CYS 10 H CYS 10 -0.478 -3.964 3.302 62 HA CYS 10 HA CYS 10 0.838 -4.752 1.004 63 1HB CYS 10 2HB CYS 10 2.228 -3.401 3.312 64 2HB CYS 10 1HB CYS 10 2.496 -3.167 1.586 65 H THR 11 H THR 11 2.521 -6.101 0.527 66 HA THR 11 HA THR 11 3.535 -7.733 2.763 67 HB THR 11 HB THR 11 3.187 -8.641 -0.100 68 HG1 THR 11 HG1 THR 11 1.269 -8.228 1.512 69 1HG2 THR 11 1HG2 THR 11 4.499 -10.338 0.518 70 2HG2 THR 11 2HG2 THR 11 3.268 -10.803 1.692 71 3HG2 THR 11 3HG2 THR 11 4.583 -9.730 2.170 72 H VAL 12 H VAL 12 4.490 -7.251 -0.662 73 HA VAL 12 HA VAL 12 7.254 -7.493 -0.108 74 HB VAL 12 HB VAL 12 6.039 -6.014 -2.448 75 1HG1 VAL 12 1HG1 VAL 12 8.060 -6.185 -3.515 76 2HG1 VAL 12 2HG1 VAL 12 8.564 -7.588 -2.572 77 3HG1 VAL 12 3HG1 VAL 12 8.587 -5.982 -1.844 78 1HG2 VAL 12 1HG2 VAL 12 5.509 -8.627 -1.812 79 2HG2 VAL 12 2HG2 VAL 12 6.870 -8.763 -2.927 80 3HG2 VAL 12 3HG2 VAL 12 5.405 -7.912 -3.422 81 H THR 13 H THR 13 5.204 -4.679 -0.723 82 HA THR 13 HA THR 13 7.262 -2.780 -0.336 83 HB THR 13 HB THR 13 5.542 -1.106 -0.391 84 HG1 THR 13 HG1 THR 13 3.589 -3.182 -0.288 85 1HG2 THR 13 1HG2 THR 13 5.500 -3.386 -2.269 86 2HG2 THR 13 2HG2 THR 13 5.799 -1.674 -2.570 87 3HG2 THR 13 3HG2 THR 13 4.145 -2.262 -2.384 88 H ALA 14 H ALA 14 5.704 -4.734 1.885 89 HA ALA 14 HA ALA 14 5.540 -2.926 4.081 90 1HB ALA 14 1HB ALA 14 4.297 -5.090 3.962 91 2HB ALA 14 2HB ALA 14 5.193 -4.857 5.462 92 3HB ALA 14 3HB ALA 14 5.829 -5.927 4.213 93 H LEU 15 H LEU 15 8.017 -4.881 2.612 94 HA LEU 15 HA LEU 15 9.888 -4.722 4.772 95 1HB LEU 15 2HB LEU 15 10.144 -5.412 1.853 96 2HB LEU 15 1HB LEU 15 11.558 -5.255 2.875 97 HG LEU 15 HG LEU 15 10.562 -7.043 4.357 98 1HD1 LEU 15 1HD1 LEU 15 8.774 -7.578 1.997 99 2HD1 LEU 15 2HD1 LEU 15 8.234 -6.770 3.469 100 3HD1 LEU 15 3HD1 LEU 15 8.819 -8.432 3.540 101 1HD2 LEU 15 1HD2 LEU 15 12.184 -7.224 2.215 102 2HD2 LEU 15 2HD2 LEU 15 10.885 -8.310 1.721 103 3HD2 LEU 15 3HD2 LEU 15 11.743 -8.595 3.235 104 H LEU 16 H LEU 16 8.849 -2.740 2.219 105 HA LEU 16 HA LEU 16 11.118 -0.951 2.242 106 1HB LEU 16 2HB LEU 16 8.407 -0.816 0.926 107 2HB LEU 16 1HB LEU 16 9.581 0.472 0.809 108 HG LEU 16 HG LEU 16 9.540 -0.949 -1.190 109 1HD1 LEU 16 1HD1 LEU 16 12.162 -1.710 -0.577 110 2HD1 LEU 16 2HD1 LEU 16 11.839 -0.257 0.369 111 3HD1 LEU 16 3HD1 LEU 16 11.627 -0.234 -1.381 112 1HD2 LEU 16 1HD2 LEU 16 10.123 -3.111 0.768 113 2HD2 LEU 16 2HD2 LEU 16 10.770 -3.219 -0.869 114 3HD2 LEU 16 3HD2 LEU 16 9.029 -3.105 -0.614 115 H GLY 17 H GLY 17 8.187 -1.384 3.925 116 1HA GLY 17 2HA GLY 17 7.744 -0.306 5.994 117 2HA GLY 17 1HA GLY 17 8.673 1.078 5.438 118 H CYS 18 H CYS 18 6.559 -0.177 3.087 119 HA CYS 18 HA CYS 18 4.972 2.196 3.161 120 1HB CYS 18 2HB CYS 18 5.160 -0.153 1.375 121 2HB CYS 18 1HB CYS 18 3.632 0.710 1.393 122 H SER 19 H SER 19 3.248 2.578 4.251 123 HA SER 19 HA SER 19 1.881 0.371 5.597 124 1HB SER 19 2HB SER 19 2.725 2.286 6.957 125 2HB SER 19 1HB SER 19 1.632 3.353 6.076 126 HG SER 19 HG SER 19 0.365 2.820 7.695 127 H CYS 20 H CYS 20 -0.424 0.295 5.627 128 HA CYS 20 HA CYS 20 -1.587 0.810 3.067 129 1HB CYS 20 2HB CYS 20 -2.176 -1.194 4.347 130 2HB CYS 20 1HB CYS 20 -2.833 -0.194 5.637 131 H SER 21 H SER 21 -2.488 2.648 2.444 132 HA SER 21 HA SER 21 -4.066 4.230 4.304 133 1HB SER 21 2HB SER 21 -1.743 5.421 2.757 134 2HB SER 21 1HB SER 21 -2.893 6.322 3.745 135 HG SER 21 HG SER 21 -1.850 4.321 5.191 136 H ASN 22 H ASN 22 -5.889 4.784 3.285 137 HA ASN 22 HA ASN 22 -7.439 5.099 1.654 138 1HB ASN 22 2HB ASN 22 -5.005 6.225 0.272 139 2HB ASN 22 1HB ASN 22 -6.594 6.222 -0.483 140 1HD2 ASN 22 1HD2 ASN 22 -7.511 8.132 -0.342 141 2HD2 ASN 22 2HD2 ASN 22 -7.443 9.200 1.014 142 H ARG 23 H ARG 23 -6.199 2.580 1.910 143 HA ARG 23 HA ARG 23 -6.273 0.522 0.996 144 1HB ARG 23 2HB ARG 23 -7.699 1.973 -1.225 145 2HB ARG 23 1HB ARG 23 -7.458 0.231 -1.213 146 1HG ARG 23 2HG ARG 23 -8.710 0.070 0.879 147 2HG ARG 23 1HG ARG 23 -8.951 1.819 0.867 148 1HD ARG 23 2HD ARG 23 -10.204 1.659 -1.203 149 2HD ARG 23 1HD ARG 23 -9.899 -0.075 -1.281 150 HE ARG 23 HE ARG 23 -11.932 1.239 0.212 151 1HH1 ARG 23 1HH1 ARG 23 -9.820 -1.554 0.252 152 2HH1 ARG 23 2HH1 ARG 23 -10.837 -2.476 1.305 153 1HH2 ARG 23 1HH2 ARG 23 -13.281 0.026 1.612 154 2HH2 ARG 23 2HH2 ARG 23 -12.808 -1.573 2.083 155 H VAL 24 H VAL 24 -4.108 2.627 0.256 156 HA VAL 24 HA VAL 24 -2.780 0.831 -1.635 157 HB VAL 24 HB VAL 24 -3.626 2.711 -2.973 158 1HG1 VAL 24 1HG1 VAL 24 -1.759 4.632 -1.702 159 2HG1 VAL 24 2HG1 VAL 24 -3.293 4.308 -0.893 160 3HG1 VAL 24 3HG1 VAL 24 -3.281 4.914 -2.549 161 1HG2 VAL 24 1HG2 VAL 24 -1.282 3.527 -3.768 162 2HG2 VAL 24 2HG2 VAL 24 -1.738 1.833 -3.950 163 3HG2 VAL 24 3HG2 VAL 24 -0.688 2.326 -2.621 164 H CYS 25 H CYS 25 -0.567 0.627 -1.325 165 HA CYS 25 HA CYS 25 0.327 1.367 1.309 166 1HB CYS 25 2HB CYS 25 1.818 -0.112 -0.865 167 2HB CYS 25 1HB CYS 25 2.202 -0.088 0.854 168 H TYR 26 H TYR 26 1.329 3.181 1.786 169 HA TYR 26 HA TYR 26 3.098 4.427 -0.217 170 1HB TYR 26 2HB TYR 26 0.816 5.625 1.245 171 2HB TYR 26 1HB TYR 26 2.263 6.608 1.117 172 HD1 TYR 26 HD1 TYR 26 0.519 4.318 -1.285 173 HD2 TYR 26 HD2 TYR 26 1.969 8.232 -0.473 174 HE1 TYR 26 HE1 TYR 26 -0.160 5.031 -3.537 175 HE2 TYR 26 HE2 TYR 26 1.293 8.956 -2.721 176 HH TYR 26 HH TYR 26 -0.672 6.997 -4.770 177 H ASN 27 H ASN 27 4.837 5.558 0.559 178 HA ASN 27 HA ASN 27 5.388 5.861 3.363 179 1HB ASN 27 2HB ASN 27 5.941 3.513 3.186 180 2HB ASN 27 1HB ASN 27 6.919 3.797 1.759 181 1HD2 ASN 27 1HD2 ASN 27 8.850 3.180 2.416 182 2HD2 ASN 27 2HD2 ASN 27 9.689 3.800 3.783 183 H GLY 28 H GLY 28 5.276 7.932 2.143 184 1HA GLY 28 2HA GLY 28 6.521 9.841 1.614 185 2HA GLY 28 1HA GLY 28 7.962 8.830 1.479 186 H ILE 29 H ILE 29 7.199 6.937 -0.217 187 HA ILE 29 HA ILE 29 6.483 8.326 -2.707 188 HB ILE 29 HB ILE 29 7.928 6.683 -3.894 189 1HG1 ILE 29 2HG1 ILE 29 8.918 5.988 -1.117 190 2HG1 ILE 29 1HG1 ILE 29 7.931 4.943 -2.132 191 1HG2 ILE 29 1HG2 ILE 29 8.809 8.873 -2.221 192 2HG2 ILE 29 2HG2 ILE 29 9.268 8.458 -3.872 193 3HG2 ILE 29 3HG2 ILE 29 10.101 7.709 -2.510 194 1HD1 ILE 29 1HD1 ILE 29 9.756 4.125 -3.065 195 2HD1 ILE 29 2HD1 ILE 29 10.743 5.167 -2.040 196 3HD1 ILE 29 3HD1 ILE 29 10.211 5.734 -3.625 197 HA PRO 30 HA PRO 30 3.312 5.269 -3.011 198 1HB PRO 30 2HB PRO 30 3.541 5.186 -5.913 199 2HB PRO 30 1HB PRO 30 2.272 5.906 -4.922 200 1HG PRO 30 2HG PRO 30 4.011 7.382 -6.394 201 2HG PRO 30 1HG PRO 30 3.289 7.962 -4.882 202 1HD PRO 30 2HD PRO 30 6.017 6.821 -5.364 203 2HD PRO 30 1HD PRO 30 5.535 8.197 -4.349 Start of MODEL 15 1 H CYS 1 H CYS 1 3.511 3.037 -2.777 2 HA CYS 1 HA CYS 1 5.662 1.462 -3.939 3 1HB CYS 1 2HB CYS 1 3.627 0.958 -1.810 4 2HB CYS 1 1HB CYS 1 4.480 -0.383 -2.546 5 H ALA 2 H ALA 2 5.159 -0.705 -4.830 6 HA ALA 2 HA ALA 2 3.032 -0.439 -6.792 7 1HB ALA 2 1HB ALA 2 4.375 -1.561 -8.170 8 2HB ALA 2 2HB ALA 2 4.624 -2.855 -6.997 9 3HB ALA 2 3HB ALA 2 5.620 -1.400 -6.932 10 H GLU 3 H GLU 3 2.059 -0.869 -4.256 11 HA GLU 3 HA GLU 3 0.653 -3.380 -4.640 12 1HB GLU 3 2HB GLU 3 2.279 -2.759 -2.176 13 2HB GLU 3 1HB GLU 3 0.910 -3.852 -2.124 14 1HG GLU 3 2HG GLU 3 2.075 -5.198 -3.913 15 2HG GLU 3 1HG GLU 3 3.489 -4.186 -3.623 16 H SER 4 H SER 4 -1.342 -3.441 -3.589 17 HA SER 4 HA SER 4 -2.178 -0.976 -2.244 18 1HB SER 4 2HB SER 4 -4.460 -1.445 -3.426 19 2HB SER 4 1HB SER 4 -3.184 -0.620 -4.317 20 HG SER 4 HG SER 4 -2.733 -2.495 -5.400 21 H CYS 5 H CYS 5 -3.213 -1.358 -0.381 22 HA CYS 5 HA CYS 5 -3.488 -4.119 0.398 23 1HB CYS 5 2HB CYS 5 -4.194 -3.077 2.626 24 2HB CYS 5 1HB CYS 5 -2.541 -2.820 2.084 25 H VAL 6 H VAL 6 -5.425 -2.088 -1.223 26 HA VAL 6 HA VAL 6 -7.942 -1.989 -0.316 27 HB VAL 6 HB VAL 6 -7.270 -2.998 -3.084 28 1HG1 VAL 6 1HG1 VAL 6 -9.752 -2.277 -1.790 29 2HG1 VAL 6 2HG1 VAL 6 -9.476 -3.036 -3.358 30 3HG1 VAL 6 3HG1 VAL 6 -9.445 -1.279 -3.211 31 1HG2 VAL 6 1HG2 VAL 6 -7.508 -0.157 -2.105 32 2HG2 VAL 6 2HG2 VAL 6 -7.238 -0.665 -3.772 33 3HG2 VAL 6 3HG2 VAL 6 -6.008 -0.973 -2.547 34 H TYR 7 H TYR 7 -6.499 -4.933 -1.697 35 HA TYR 7 HA TYR 7 -8.856 -6.434 -0.798 36 1HB TYR 7 2HB TYR 7 -6.733 -7.107 -2.833 37 2HB TYR 7 1HB TYR 7 -7.944 -8.256 -2.283 38 HD1 TYR 7 HD1 TYR 7 -9.965 -8.407 -3.410 39 HD2 TYR 7 HD2 TYR 7 -7.638 -4.871 -3.831 40 HE1 TYR 7 HE1 TYR 7 -11.521 -7.595 -5.133 41 HE2 TYR 7 HE2 TYR 7 -9.190 -4.047 -5.550 42 HH TYR 7 HH TYR 7 -11.367 -5.945 -7.125 43 H ILE 8 H ILE 8 -5.478 -6.016 -0.205 44 HA ILE 8 HA ILE 8 -5.543 -7.774 2.071 45 HB ILE 8 HB ILE 8 -3.392 -8.978 1.205 46 1HG1 ILE 8 2HG1 ILE 8 -4.807 -8.434 -1.412 47 2HG1 ILE 8 1HG1 ILE 8 -3.272 -7.728 -0.918 48 1HG2 ILE 8 1HG2 ILE 8 -6.226 -9.713 0.650 49 2HG2 ILE 8 2HG2 ILE 8 -5.093 -10.388 1.821 50 3HG2 ILE 8 3HG2 ILE 8 -4.921 -10.769 0.108 51 1HD1 ILE 8 1HD1 ILE 8 -3.724 -10.142 -2.291 52 2HD1 ILE 8 2HD1 ILE 8 -3.089 -10.559 -0.699 53 3HD1 ILE 8 3HD1 ILE 8 -2.189 -9.463 -1.748 54 HA PRO 9 HA PRO 9 -2.653 -4.804 3.578 55 1HB PRO 9 2HB PRO 9 -1.110 -6.538 5.122 56 2HB PRO 9 1HB PRO 9 -2.574 -5.707 5.649 57 1HG PRO 9 2HG PRO 9 -2.225 -8.502 4.668 58 2HG PRO 9 1HG PRO 9 -3.298 -7.880 5.935 59 1HD PRO 9 2HD PRO 9 -4.233 -8.533 3.512 60 2HD PRO 9 1HD PRO 9 -4.877 -7.138 4.405 61 H CYS 10 H CYS 10 -0.626 -4.041 3.208 62 HA CYS 10 HA CYS 10 0.787 -4.805 0.964 63 1HB CYS 10 2HB CYS 10 1.905 -3.346 3.369 64 2HB CYS 10 1HB CYS 10 2.511 -3.264 1.718 65 H THR 11 H THR 11 2.435 -6.202 0.538 66 HA THR 11 HA THR 11 3.457 -7.741 2.835 67 HB THR 11 HB THR 11 3.134 -8.730 -0.005 68 HG1 THR 11 HG1 THR 11 1.184 -8.313 1.478 69 1HG2 THR 11 1HG2 THR 11 4.865 -9.683 1.814 70 2HG2 THR 11 2HG2 THR 11 4.034 -10.714 0.648 71 3HG2 THR 11 3HG2 THR 11 3.420 -10.572 2.296 72 H VAL 12 H VAL 12 4.437 -7.334 -0.586 73 HA VAL 12 HA VAL 12 7.197 -7.548 -0.041 74 HB VAL 12 HB VAL 12 6.014 -6.030 -2.367 75 1HG1 VAL 12 1HG1 VAL 12 8.028 -6.919 -3.538 76 2HG1 VAL 12 2HG1 VAL 12 8.598 -7.527 -1.984 77 3HG1 VAL 12 3HG1 VAL 12 8.385 -5.793 -2.228 78 1HG2 VAL 12 1HG2 VAL 12 5.325 -8.608 -1.735 79 2HG2 VAL 12 2HG2 VAL 12 6.662 -8.825 -2.865 80 3HG2 VAL 12 3HG2 VAL 12 5.249 -7.882 -3.341 81 H THR 13 H THR 13 5.170 -4.744 -0.717 82 HA THR 13 HA THR 13 7.210 -2.835 -0.284 83 HB THR 13 HB THR 13 5.468 -1.178 -0.440 84 HG1 THR 13 HG1 THR 13 3.572 -3.310 -0.416 85 1HG2 THR 13 1HG2 THR 13 5.885 -1.776 -2.593 86 2HG2 THR 13 2HG2 THR 13 4.223 -2.361 -2.508 87 3HG2 THR 13 3HG2 THR 13 5.566 -3.484 -2.292 88 H ALA 14 H ALA 14 5.544 -4.750 1.909 89 HA ALA 14 HA ALA 14 5.275 -2.901 4.060 90 1HB ALA 14 1HB ALA 14 4.791 -5.697 3.652 91 2HB ALA 14 2HB ALA 14 4.182 -4.641 4.926 92 3HB ALA 14 3HB ALA 14 5.723 -5.473 5.132 93 H LEU 15 H LEU 15 7.772 -4.986 2.800 94 HA LEU 15 HA LEU 15 9.636 -4.652 4.920 95 1HB LEU 15 2HB LEU 15 10.136 -5.337 2.021 96 2HB LEU 15 1HB LEU 15 11.282 -5.539 3.331 97 HG LEU 15 HG LEU 15 8.661 -7.018 3.067 98 1HD1 LEU 15 1HD1 LEU 15 11.472 -7.677 2.312 99 2HD1 LEU 15 2HD1 LEU 15 9.971 -7.983 1.440 100 3HD1 LEU 15 3HD1 LEU 15 10.385 -8.958 2.849 101 1HD2 LEU 15 1HD2 LEU 15 10.267 -6.533 5.329 102 2HD2 LEU 15 2HD2 LEU 15 10.556 -8.206 4.850 103 3HD2 LEU 15 3HD2 LEU 15 8.914 -7.654 5.178 104 H LEU 16 H LEU 16 8.669 -2.802 2.205 105 HA LEU 16 HA LEU 16 10.984 -1.080 2.157 106 1HB LEU 16 2HB LEU 16 8.281 -0.752 0.848 107 2HB LEU 16 1HB LEU 16 9.693 0.236 0.527 108 HG LEU 16 HG LEU 16 9.449 -2.716 -0.065 109 1HD1 LEU 16 1HD1 LEU 16 9.865 -1.442 -2.433 110 2HD1 LEU 16 2HD1 LEU 16 8.826 -0.294 -1.587 111 3HD1 LEU 16 3HD1 LEU 16 8.292 -1.959 -1.826 112 1HD2 LEU 16 1HD2 LEU 16 11.576 -2.336 -1.310 113 2HD2 LEU 16 2HD2 LEU 16 11.730 -2.195 0.441 114 3HD2 LEU 16 3HD2 LEU 16 11.674 -0.744 -0.559 115 H GLY 17 H GLY 17 8.051 -1.298 3.880 116 1HA GLY 17 2HA GLY 17 7.715 -0.055 5.883 117 2HA GLY 17 1HA GLY 17 8.634 1.266 5.183 118 H CYS 18 H CYS 18 6.414 -0.100 3.003 119 HA CYS 18 HA CYS 18 4.852 2.300 3.026 120 1HB CYS 18 2HB CYS 18 4.978 -0.117 1.325 121 2HB CYS 18 1HB CYS 18 3.445 0.748 1.363 122 H SER 19 H SER 19 3.040 2.729 4.005 123 HA SER 19 HA SER 19 1.780 0.621 5.595 124 1HB SER 19 2HB SER 19 1.379 3.620 5.716 125 2HB SER 19 1HB SER 19 0.794 2.433 6.882 126 HG SER 19 HG SER 19 3.525 2.438 6.338 127 H CYS 20 H CYS 20 -0.594 0.659 5.771 128 HA CYS 20 HA CYS 20 -1.802 0.650 3.165 129 1HB CYS 20 2HB CYS 20 -2.252 -1.077 4.922 130 2HB CYS 20 1HB CYS 20 -3.087 0.153 5.861 131 H SER 21 H SER 21 -1.323 3.089 3.048 132 HA SER 21 HA SER 21 -3.275 4.743 4.438 133 1HB SER 21 2HB SER 21 -1.175 5.544 2.407 134 2HB SER 21 1HB SER 21 -2.073 6.622 3.477 135 HG SER 21 HG SER 21 -0.756 6.148 5.049 136 H ASN 22 H ASN 22 -5.214 5.162 3.586 137 HA ASN 22 HA ASN 22 -6.953 5.305 2.125 138 1HB ASN 22 2HB ASN 22 -4.697 6.250 0.359 139 2HB ASN 22 1HB ASN 22 -6.369 6.212 -0.189 140 1HD2 ASN 22 1HD2 ASN 22 -7.250 8.140 -0.109 141 2HD2 ASN 22 2HD2 ASN 22 -6.994 9.332 1.113 142 H ARG 23 H ARG 23 -5.634 2.809 2.454 143 HA ARG 23 HA ARG 23 -5.773 0.680 1.747 144 1HB ARG 23 2HB ARG 23 -7.520 1.805 -0.444 145 2HB ARG 23 1HB ARG 23 -7.318 0.096 -0.083 146 1HG ARG 23 2HG ARG 23 -8.233 0.485 2.168 147 2HG ARG 23 1HG ARG 23 -8.484 2.179 1.752 148 1HD ARG 23 2HD ARG 23 -10.572 1.186 1.420 149 2HD ARG 23 1HD ARG 23 -9.885 1.305 -0.198 150 HE ARG 23 HE ARG 23 -9.208 -1.202 0.800 151 1HH1 ARG 23 1HH1 ARG 23 -12.097 0.569 -0.058 152 2HH1 ARG 23 2HH1 ARG 23 -13.008 -0.845 -0.465 153 1HH2 ARG 23 1HH2 ARG 23 -10.406 -3.096 0.260 154 2HH2 ARG 23 2HH2 ARG 23 -12.048 -2.931 -0.279 155 H VAL 24 H VAL 24 -3.773 2.678 0.600 156 HA VAL 24 HA VAL 24 -2.755 0.817 -1.425 157 HB VAL 24 HB VAL 24 -3.630 2.872 -2.572 158 1HG1 VAL 24 1HG1 VAL 24 -1.476 4.638 -2.095 159 2HG1 VAL 24 2HG1 VAL 24 -2.186 4.212 -0.537 160 3HG1 VAL 24 3HG1 VAL 24 -3.198 4.897 -1.809 161 1HG2 VAL 24 1HG2 VAL 24 -1.253 1.479 -2.976 162 2HG2 VAL 24 2HG2 VAL 24 -0.849 3.177 -3.223 163 3HG2 VAL 24 3HG2 VAL 24 -2.147 2.435 -4.159 164 H CYS 25 H CYS 25 -0.561 0.459 -1.337 165 HA CYS 25 HA CYS 25 0.656 1.006 1.185 166 1HB CYS 25 2HB CYS 25 1.889 -0.187 -1.306 167 2HB CYS 25 1HB CYS 25 2.505 -0.324 0.339 168 H TYR 26 H TYR 26 1.473 2.903 1.686 169 HA TYR 26 HA TYR 26 3.127 4.323 -0.280 170 1HB TYR 26 2HB TYR 26 0.658 5.087 -0.153 171 2HB TYR 26 1HB TYR 26 1.102 5.788 1.392 172 HD1 TYR 26 HD1 TYR 26 1.812 5.851 -2.231 173 HD2 TYR 26 HD2 TYR 26 2.218 7.872 1.487 174 HE1 TYR 26 HE1 TYR 26 2.588 7.853 -3.416 175 HE2 TYR 26 HE2 TYR 26 3.004 9.884 0.313 176 HH TYR 26 HH TYR 26 4.225 10.256 -2.082 177 H ASN 27 H ASN 27 4.720 5.578 0.574 178 HA ASN 27 HA ASN 27 4.881 6.141 3.407 179 1HB ASN 27 2HB ASN 27 6.902 4.927 3.909 180 2HB ASN 27 1HB ASN 27 5.720 3.788 3.293 181 1HD2 ASN 27 1HD2 ASN 27 8.667 3.713 3.427 182 2HD2 ASN 27 2HD2 ASN 27 9.186 3.385 1.816 183 H GLY 28 H GLY 28 4.632 7.970 1.664 184 1HA GLY 28 2HA GLY 28 5.703 10.047 1.270 185 2HA GLY 28 1HA GLY 28 7.267 9.244 1.459 186 H ILE 29 H ILE 29 6.985 7.095 -0.090 187 HA ILE 29 HA ILE 29 6.646 8.172 -2.802 188 HB ILE 29 HB ILE 29 8.185 6.362 -3.541 189 1HG1 ILE 29 2HG1 ILE 29 8.690 5.966 -0.582 190 2HG1 ILE 29 1HG1 ILE 29 7.813 4.843 -1.614 191 1HG2 ILE 29 1HG2 ILE 29 8.815 8.794 -2.566 192 2HG2 ILE 29 2HG2 ILE 29 9.983 7.696 -3.300 193 3HG2 ILE 29 3HG2 ILE 29 9.825 7.772 -1.544 194 1HD1 ILE 29 1HD1 ILE 29 10.257 4.340 -1.086 195 2HD1 ILE 29 2HD1 ILE 29 10.635 5.635 -2.220 196 3HD1 ILE 29 3HD1 ILE 29 9.737 4.219 -2.767 197 HA PRO 30 HA PRO 30 3.439 5.163 -3.137 198 1HB PRO 30 2HB PRO 30 3.624 5.040 -5.998 199 2HB PRO 30 1HB PRO 30 2.497 5.980 -5.021 200 1HG PRO 30 2HG PRO 30 4.487 7.060 -6.597 201 2HG PRO 30 1HG PRO 30 3.729 7.883 -5.223 202 1HD PRO 30 2HD PRO 30 6.353 6.456 -5.371 203 2HD PRO 30 1HD PRO 30 5.920 7.939 -4.492 Start of MODEL 16 1 H CYS 1 H CYS 1 3.411 3.132 -2.687 2 HA CYS 1 HA CYS 1 5.541 1.610 -3.955 3 1HB CYS 1 2HB CYS 1 3.649 1.082 -1.717 4 2HB CYS 1 1HB CYS 1 4.390 -0.274 -2.540 5 H ALA 2 H ALA 2 4.992 -0.573 -4.844 6 HA ALA 2 HA ALA 2 2.798 -0.236 -6.717 7 1HB ALA 2 1HB ALA 2 4.680 -2.550 -6.815 8 2HB ALA 2 2HB ALA 2 5.241 -0.945 -7.285 9 3HB ALA 2 3HB ALA 2 3.887 -1.690 -8.135 10 H GLU 3 H GLU 3 1.851 -0.698 -4.218 11 HA GLU 3 HA GLU 3 0.533 -3.265 -4.587 12 1HB GLU 3 2HB GLU 3 2.143 -2.522 -2.161 13 2HB GLU 3 1HB GLU 3 0.774 -3.614 -2.029 14 1HG GLU 3 2HG GLU 3 1.881 -5.051 -3.756 15 2HG GLU 3 1HG GLU 3 3.295 -4.010 -3.613 16 H SER 4 H SER 4 -1.545 -3.204 -4.079 17 HA SER 4 HA SER 4 -2.550 -0.817 -2.696 18 1HB SER 4 2HB SER 4 -4.771 -1.690 -3.854 19 2HB SER 4 1HB SER 4 -3.617 -0.696 -4.740 20 HG SER 4 HG SER 4 -3.001 -2.401 -5.893 21 H CYS 5 H CYS 5 -3.440 -1.156 -0.765 22 HA CYS 5 HA CYS 5 -3.618 -3.901 0.146 23 1HB CYS 5 2HB CYS 5 -3.973 -2.851 2.396 24 2HB CYS 5 1HB CYS 5 -2.454 -2.452 1.611 25 H VAL 6 H VAL 6 -5.636 -2.195 -1.519 26 HA VAL 6 HA VAL 6 -8.052 -1.720 -0.563 27 HB VAL 6 HB VAL 6 -7.674 -3.577 -2.914 28 1HG1 VAL 6 1HG1 VAL 6 -9.740 -1.725 -3.357 29 2HG1 VAL 6 2HG1 VAL 6 -9.991 -2.378 -1.738 30 3HG1 VAL 6 3HG1 VAL 6 -9.879 -3.467 -3.120 31 1HG2 VAL 6 1HG2 VAL 6 -8.026 -0.757 -3.511 32 2HG2 VAL 6 2HG2 VAL 6 -6.837 -1.905 -4.127 33 3HG2 VAL 6 3HG2 VAL 6 -6.552 -1.077 -2.597 34 H TYR 7 H TYR 7 -6.971 -5.072 -1.131 35 HA TYR 7 HA TYR 7 -8.974 -5.950 0.833 36 1HB TYR 7 2HB TYR 7 -8.628 -6.859 -1.975 37 2HB TYR 7 1HB TYR 7 -8.961 -8.085 -0.765 38 HD1 TYR 7 HD1 TYR 7 -10.255 -4.703 -1.731 39 HD2 TYR 7 HD2 TYR 7 -11.173 -8.666 -0.493 40 HE1 TYR 7 HE1 TYR 7 -12.653 -4.190 -1.887 41 HE2 TYR 7 HE2 TYR 7 -13.575 -8.164 -0.646 42 HH TYR 7 HH TYR 7 -14.873 -5.353 -0.594 43 H ILE 8 H ILE 8 -5.830 -5.703 0.284 44 HA ILE 8 HA ILE 8 -5.187 -8.017 1.928 45 HB ILE 8 HB ILE 8 -3.213 -8.558 0.370 46 1HG1 ILE 8 2HG1 ILE 8 -5.056 -7.254 -1.643 47 2HG1 ILE 8 1HG1 ILE 8 -3.514 -6.597 -1.107 48 1HG2 ILE 8 1HG2 ILE 8 -5.159 -10.033 0.801 49 2HG2 ILE 8 2HG2 ILE 8 -4.454 -10.230 -0.804 50 3HG2 ILE 8 3HG2 ILE 8 -5.954 -9.325 -0.605 51 1HD1 ILE 8 1HD1 ILE 8 -2.300 -8.273 -2.194 52 2HD1 ILE 8 2HD1 ILE 8 -3.568 -7.821 -3.333 53 3HD1 ILE 8 3HD1 ILE 8 -3.722 -9.300 -2.385 54 HA PRO 9 HA PRO 9 -2.405 -5.024 3.628 55 1HB PRO 9 2HB PRO 9 -0.794 -6.752 5.008 56 2HB PRO 9 1HB PRO 9 -2.370 -6.198 5.576 57 1HG PRO 9 2HG PRO 9 -1.619 -8.771 4.264 58 2HG PRO 9 1HG PRO 9 -2.771 -8.477 5.578 59 1HD PRO 9 2HD PRO 9 -3.538 -8.901 3.008 60 2HD PRO 9 1HD PRO 9 -4.459 -7.883 4.135 61 H CYS 10 H CYS 10 -0.375 -4.227 3.300 62 HA CYS 10 HA CYS 10 0.978 -4.865 0.935 63 1HB CYS 10 2HB CYS 10 2.267 -3.469 3.276 64 2HB CYS 10 1HB CYS 10 2.539 -3.198 1.557 65 H THR 11 H THR 11 2.593 -6.265 0.461 66 HA THR 11 HA THR 11 3.653 -7.834 2.721 67 HB THR 11 HB THR 11 3.495 -8.682 -0.175 68 HG1 THR 11 HG1 THR 11 1.447 -8.344 1.177 69 1HG2 THR 11 1HG2 THR 11 5.033 -9.707 1.863 70 2HG2 THR 11 2HG2 THR 11 4.516 -10.591 0.427 71 3HG2 THR 11 3HG2 THR 11 3.588 -10.717 1.922 72 H VAL 12 H VAL 12 4.777 -7.276 -0.629 73 HA VAL 12 HA VAL 12 7.520 -7.432 0.053 74 HB VAL 12 HB VAL 12 6.480 -5.891 -2.317 75 1HG1 VAL 12 1HG1 VAL 12 9.044 -6.733 -1.443 76 2HG1 VAL 12 2HG1 VAL 12 8.612 -5.836 -2.899 77 3HG1 VAL 12 3HG1 VAL 12 8.654 -7.598 -2.928 78 1HG2 VAL 12 1HG2 VAL 12 5.590 -7.673 -3.289 79 2HG2 VAL 12 2HG2 VAL 12 5.704 -8.494 -1.731 80 3HG2 VAL 12 3HG2 VAL 12 7.000 -8.665 -2.914 81 H THR 13 H THR 13 5.412 -4.747 -0.681 82 HA THR 13 HA THR 13 7.263 -2.687 -0.234 83 HB THR 13 HB THR 13 5.268 -1.226 -0.204 84 HG1 THR 13 HG1 THR 13 3.728 -3.587 -0.591 85 1HG2 THR 13 1HG2 THR 13 4.326 -2.290 -2.457 86 2HG2 THR 13 2HG2 THR 13 5.766 -3.294 -2.283 87 3HG2 THR 13 3HG2 THR 13 5.921 -1.540 -2.378 88 H ALA 14 H ALA 14 5.610 -4.707 1.964 89 HA ALA 14 HA ALA 14 5.356 -2.907 4.148 90 1HB ALA 14 1HB ALA 14 5.506 -5.911 4.007 91 2HB ALA 14 2HB ALA 14 4.089 -4.901 4.294 92 3HB ALA 14 3HB ALA 14 5.341 -5.036 5.529 93 H LEU 15 H LEU 15 7.868 -4.998 2.911 94 HA LEU 15 HA LEU 15 9.689 -4.679 5.069 95 1HB LEU 15 2HB LEU 15 10.249 -5.357 2.179 96 2HB LEU 15 1HB LEU 15 11.363 -5.573 3.514 97 HG LEU 15 HG LEU 15 8.738 -7.029 3.186 98 1HD1 LEU 15 1HD1 LEU 15 11.347 -7.499 2.078 99 2HD1 LEU 15 2HD1 LEU 15 9.841 -8.380 1.817 100 3HD1 LEU 15 3HD1 LEU 15 10.892 -8.810 3.166 101 1HD2 LEU 15 1HD2 LEU 15 10.729 -8.100 5.028 102 2HD2 LEU 15 2HD2 LEU 15 8.994 -7.867 5.241 103 3HD2 LEU 15 3HD2 LEU 15 10.103 -6.522 5.512 104 H LEU 16 H LEU 16 8.797 -2.819 2.331 105 HA LEU 16 HA LEU 16 11.128 -1.112 2.356 106 1HB LEU 16 2HB LEU 16 8.475 -0.643 0.996 107 2HB LEU 16 1HB LEU 16 9.984 0.182 0.661 108 HG LEU 16 HG LEU 16 9.445 -2.744 0.141 109 1HD1 LEU 16 1HD1 LEU 16 8.505 -2.067 -1.749 110 2HD1 LEU 16 2HD1 LEU 16 10.053 -1.365 -2.220 111 3HD1 LEU 16 3HD1 LEU 16 8.858 -0.381 -1.374 112 1HD2 LEU 16 1HD2 LEU 16 11.812 -1.109 -0.737 113 2HD2 LEU 16 2HD2 LEU 16 11.590 -2.855 -0.849 114 3HD2 LEU 16 3HD2 LEU 16 11.814 -2.093 0.726 115 H GLY 17 H GLY 17 8.181 -1.335 4.033 116 1HA GLY 17 2HA GLY 17 7.826 -0.073 6.030 117 2HA GLY 17 1HA GLY 17 8.702 1.264 5.299 118 H CYS 18 H CYS 18 6.697 0.003 2.974 119 HA CYS 18 HA CYS 18 4.997 2.267 3.038 120 1HB CYS 18 2HB CYS 18 5.237 -0.123 1.317 121 2HB CYS 18 1HB CYS 18 3.690 0.710 1.313 122 H SER 19 H SER 19 3.327 2.637 4.184 123 HA SER 19 HA SER 19 1.982 0.439 5.561 124 1HB SER 19 2HB SER 19 1.769 3.427 6.004 125 2HB SER 19 1HB SER 19 1.084 2.167 7.033 126 HG SER 19 HG SER 19 3.848 2.212 6.473 127 H CYS 20 H CYS 20 -0.271 0.214 5.520 128 HA CYS 20 HA CYS 20 -1.482 0.780 3.010 129 1HB CYS 20 2HB CYS 20 -2.040 -1.256 4.218 130 2HB CYS 20 1HB CYS 20 -2.640 -0.319 5.581 131 H SER 21 H SER 21 -2.431 2.600 2.417 132 HA SER 21 HA SER 21 -4.044 4.115 4.297 133 1HB SER 21 2HB SER 21 -1.725 5.384 2.806 134 2HB SER 21 1HB SER 21 -2.908 6.243 3.792 135 HG SER 21 HG SER 21 -1.863 4.248 5.231 136 H ASN 22 H ASN 22 -5.855 4.695 3.282 137 HA ASN 22 HA ASN 22 -7.398 5.040 1.657 138 1HB ASN 22 2HB ASN 22 -4.962 6.248 0.375 139 2HB ASN 22 1HB ASN 22 -6.508 6.205 -0.466 140 1HD2 ASN 22 1HD2 ASN 22 -7.532 8.053 -0.324 141 2HD2 ASN 22 2HD2 ASN 22 -7.563 9.103 1.047 142 H ARG 23 H ARG 23 -6.251 2.491 1.823 143 HA ARG 23 HA ARG 23 -6.383 0.477 0.800 144 1HB ARG 23 2HB ARG 23 -7.634 2.100 -1.413 145 2HB ARG 23 1HB ARG 23 -7.521 0.347 -1.433 146 1HG ARG 23 2HG ARG 23 -9.038 0.100 0.303 147 2HG ARG 23 1HG ARG 23 -8.814 1.759 0.864 148 1HD ARG 23 2HD ARG 23 -10.983 1.407 -0.265 149 2HD ARG 23 1HD ARG 23 -9.979 2.616 -1.062 150 HE ARG 23 HE ARG 23 -9.521 0.123 -2.264 151 1HH1 ARG 23 1HH1 ARG 23 -12.039 2.528 -1.969 152 2HH1 ARG 23 2HH1 ARG 23 -12.762 2.157 -3.497 153 1HH2 ARG 23 1HH2 ARG 23 -10.468 -0.380 -4.295 154 2HH2 ARG 23 2HH2 ARG 23 -11.866 0.494 -4.826 155 H VAL 24 H VAL 24 -4.080 2.473 0.277 156 HA VAL 24 HA VAL 24 -2.742 0.719 -1.628 157 HB VAL 24 HB VAL 24 -3.578 2.575 -3.005 158 1HG1 VAL 24 1HG1 VAL 24 -3.546 4.700 -2.385 159 2HG1 VAL 24 2HG1 VAL 24 -1.813 4.648 -2.070 160 3HG1 VAL 24 3HG1 VAL 24 -2.952 4.167 -0.813 161 1HG2 VAL 24 1HG2 VAL 24 -0.619 2.330 -2.595 162 2HG2 VAL 24 2HG2 VAL 24 -1.293 3.368 -3.853 163 3HG2 VAL 24 3HG2 VAL 24 -1.628 1.635 -3.865 164 H CYS 25 H CYS 25 -0.517 0.553 -1.301 165 HA CYS 25 HA CYS 25 0.336 1.327 1.341 166 1HB CYS 25 2HB CYS 25 1.910 -0.137 -0.781 167 2HB CYS 25 1HB CYS 25 2.201 -0.135 0.957 168 H TYR 26 H TYR 26 1.328 3.155 1.810 169 HA TYR 26 HA TYR 26 3.105 4.390 -0.191 170 1HB TYR 26 2HB TYR 26 0.803 5.589 1.241 171 2HB TYR 26 1HB TYR 26 2.243 6.580 1.105 172 HD1 TYR 26 HD1 TYR 26 0.507 4.252 -1.267 173 HD2 TYR 26 HD2 TYR 26 1.966 8.175 -0.512 174 HE1 TYR 26 HE1 TYR 26 -0.166 4.934 -3.530 175 HE2 TYR 26 HE2 TYR 26 1.295 8.867 -2.772 176 HH TYR 26 HH TYR 26 -0.690 6.908 -4.779 177 H ASN 27 H ASN 27 4.830 5.546 0.590 178 HA ASN 27 HA ASN 27 5.337 5.908 3.391 179 1HB ASN 27 2HB ASN 27 5.919 3.571 3.309 180 2HB ASN 27 1HB ASN 27 6.899 3.804 1.872 181 1HD2 ASN 27 1HD2 ASN 27 8.852 3.256 2.542 182 2HD2 ASN 27 2HD2 ASN 27 9.673 3.935 3.894 183 H GLY 28 H GLY 28 5.232 7.948 2.136 184 1HA GLY 28 2HA GLY 28 6.466 9.855 1.577 185 2HA GLY 28 1HA GLY 28 7.918 8.856 1.489 186 H ILE 29 H ILE 29 7.238 6.924 -0.178 187 HA ILE 29 HA ILE 29 6.579 8.257 -2.715 188 HB ILE 29 HB ILE 29 7.997 6.537 -3.821 189 1HG1 ILE 29 2HG1 ILE 29 8.908 5.884 -1.008 190 2HG1 ILE 29 1HG1 ILE 29 7.885 4.850 -2.000 191 1HG2 ILE 29 1HG2 ILE 29 9.368 8.293 -1.794 192 2HG2 ILE 29 2HG2 ILE 29 8.930 8.716 -3.449 193 3HG2 ILE 29 3HG2 ILE 29 10.179 7.509 -3.149 194 1HD1 ILE 29 1HD1 ILE 29 10.637 5.704 -2.841 195 2HD1 ILE 29 2HD1 ILE 29 9.638 4.419 -3.518 196 3HD1 ILE 29 3HD1 ILE 29 10.323 4.245 -1.902 197 HA PRO 30 HA PRO 30 3.327 5.282 -2.998 198 1HB PRO 30 2HB PRO 30 3.497 5.225 -5.894 199 2HB PRO 30 1HB PRO 30 2.293 6.015 -4.876 200 1HG PRO 30 2HG PRO 30 4.103 7.379 -6.389 201 2HG PRO 30 1HG PRO 30 3.408 8.014 -4.887 202 1HD PRO 30 2HD PRO 30 6.079 6.741 -5.350 203 2HD PRO 30 1HD PRO 30 5.657 8.145 -4.345 Start of MODEL 17 1 H CYS 1 H CYS 1 3.378 3.113 -2.609 2 HA CYS 1 HA CYS 1 5.560 1.674 -3.878 3 1HB CYS 1 2HB CYS 1 3.709 1.086 -1.617 4 2HB CYS 1 1HB CYS 1 4.513 -0.241 -2.428 5 H ALA 2 H ALA 2 5.104 -0.554 -4.711 6 HA ALA 2 HA ALA 2 2.913 -0.355 -6.599 7 1HB ALA 2 1HB ALA 2 5.105 -0.878 -7.487 8 2HB ALA 2 2HB ALA 2 4.008 -2.233 -7.749 9 3HB ALA 2 3HB ALA 2 5.206 -2.305 -6.457 10 H GLU 3 H GLU 3 1.941 -0.782 -4.102 11 HA GLU 3 HA GLU 3 0.698 -3.390 -4.427 12 1HB GLU 3 2HB GLU 3 2.250 -2.567 -1.985 13 2HB GLU 3 1HB GLU 3 0.914 -3.697 -1.863 14 1HG GLU 3 2HG GLU 3 2.123 -5.092 -3.601 15 2HG GLU 3 1HG GLU 3 3.509 -4.037 -3.331 16 H SER 4 H SER 4 -1.399 -3.344 -3.960 17 HA SER 4 HA SER 4 -2.453 -0.937 -2.649 18 1HB SER 4 2HB SER 4 -4.637 -1.830 -3.842 19 2HB SER 4 1HB SER 4 -3.452 -0.878 -4.733 20 HG SER 4 HG SER 4 -3.168 -2.536 -5.980 21 H CYS 5 H CYS 5 -3.437 -1.219 -0.751 22 HA CYS 5 HA CYS 5 -3.638 -3.940 0.236 23 1HB CYS 5 2HB CYS 5 -4.115 -2.793 2.438 24 2HB CYS 5 1HB CYS 5 -2.535 -2.495 1.729 25 H VAL 6 H VAL 6 -5.610 -2.178 -1.501 26 HA VAL 6 HA VAL 6 -8.051 -1.748 -0.543 27 HB VAL 6 HB VAL 6 -7.712 -3.472 -2.994 28 1HG1 VAL 6 1HG1 VAL 6 -9.703 -1.270 -2.553 29 2HG1 VAL 6 2HG1 VAL 6 -10.019 -2.931 -2.050 30 3HG1 VAL 6 3HG1 VAL 6 -9.733 -2.564 -3.752 31 1HG2 VAL 6 1HG2 VAL 6 -7.836 -0.624 -3.496 32 2HG2 VAL 6 2HG2 VAL 6 -6.702 -1.829 -4.104 33 3HG2 VAL 6 3HG2 VAL 6 -6.419 -1.062 -2.541 34 H TYR 7 H TYR 7 -6.879 -5.039 -1.244 35 HA TYR 7 HA TYR 7 -9.030 -6.056 0.486 36 1HB TYR 7 2HB TYR 7 -8.293 -6.869 -2.275 37 2HB TYR 7 1HB TYR 7 -8.736 -8.140 -1.148 38 HD1 TYR 7 HD1 TYR 7 -10.017 -4.759 -2.136 39 HD2 TYR 7 HD2 TYR 7 -10.936 -8.810 -1.228 40 HE1 TYR 7 HE1 TYR 7 -12.392 -4.314 -2.586 41 HE2 TYR 7 HE2 TYR 7 -13.314 -8.377 -1.676 42 HH TYR 7 HH TYR 7 -14.817 -6.085 -1.583 43 H ILE 8 H ILE 8 -5.794 -5.737 0.216 44 HA ILE 8 HA ILE 8 -5.295 -7.984 1.994 45 HB ILE 8 HB ILE 8 -3.213 -8.605 0.604 46 1HG1 ILE 8 2HG1 ILE 8 -4.923 -7.422 -1.593 47 2HG1 ILE 8 1HG1 ILE 8 -3.419 -6.730 -0.996 48 1HG2 ILE 8 1HG2 ILE 8 -4.735 -10.310 0.837 49 2HG2 ILE 8 2HG2 ILE 8 -4.692 -10.106 -0.914 50 3HG2 ILE 8 3HG2 ILE 8 -6.021 -9.421 0.022 51 1HD1 ILE 8 1HD1 ILE 8 -3.768 -8.595 -3.059 52 2HD1 ILE 8 2HD1 ILE 8 -2.981 -9.453 -1.734 53 3HD1 ILE 8 3HD1 ILE 8 -2.255 -7.986 -2.389 54 HA PRO 9 HA PRO 9 -2.564 -4.993 3.790 55 1HB PRO 9 2HB PRO 9 -1.123 -7.282 4.950 56 2HB PRO 9 1HB PRO 9 -1.983 -5.972 5.761 57 1HG PRO 9 2HG PRO 9 -2.950 -8.479 5.709 58 2HG PRO 9 1HG PRO 9 -4.015 -7.060 5.657 59 1HD PRO 9 2HD PRO 9 -3.139 -8.857 3.428 60 2HD PRO 9 1HD PRO 9 -4.733 -8.137 3.736 61 H CYS 10 H CYS 10 -0.554 -4.143 3.421 62 HA CYS 10 HA CYS 10 0.851 -4.805 1.117 63 1HB CYS 10 2HB CYS 10 2.042 -3.378 3.498 64 2HB CYS 10 1HB CYS 10 2.457 -3.170 1.799 65 H THR 11 H THR 11 2.578 -6.124 0.676 66 HA THR 11 HA THR 11 3.711 -7.589 2.969 67 HB THR 11 HB THR 11 3.182 -8.736 0.221 68 HG1 THR 11 HG1 THR 11 1.333 -8.271 1.768 69 1HG2 THR 11 1HG2 THR 11 5.101 -9.591 1.819 70 2HG2 THR 11 2HG2 THR 11 4.069 -10.730 0.954 71 3HG2 THR 11 3HG2 THR 11 3.755 -10.371 2.651 72 H VAL 12 H VAL 12 4.402 -7.225 -0.532 73 HA VAL 12 HA VAL 12 7.187 -7.512 -0.250 74 HB VAL 12 HB VAL 12 5.807 -5.924 -2.417 75 1HG1 VAL 12 1HG1 VAL 12 7.861 -5.681 -3.216 76 2HG1 VAL 12 2HG1 VAL 12 7.940 -7.429 -3.434 77 3HG1 VAL 12 3HG1 VAL 12 8.527 -6.700 -1.940 78 1HG2 VAL 12 1HG2 VAL 12 5.026 -7.771 -3.406 79 2HG2 VAL 12 2HG2 VAL 12 5.159 -8.492 -1.802 80 3HG2 VAL 12 3HG2 VAL 12 6.449 -8.724 -2.983 81 H THR 13 H THR 13 5.251 -4.593 -0.766 82 HA THR 13 HA THR 13 7.433 -2.823 -0.360 83 HB THR 13 HB THR 13 5.829 -1.047 -0.505 84 HG1 THR 13 HG1 THR 13 3.797 -3.049 -0.292 85 1HG2 THR 13 1HG2 THR 13 4.381 -2.330 -2.481 86 2HG2 THR 13 2HG2 THR 13 5.857 -3.287 -2.362 87 3HG2 THR 13 3HG2 THR 13 5.953 -1.555 -2.682 88 H ALA 14 H ALA 14 5.782 -4.697 1.817 89 HA ALA 14 HA ALA 14 5.599 -2.865 4.002 90 1HB ALA 14 1HB ALA 14 4.247 -4.649 4.453 91 2HB ALA 14 2HB ALA 14 5.703 -5.195 5.285 92 3HB ALA 14 3HB ALA 14 5.325 -5.805 3.674 93 H LEU 15 H LEU 15 8.037 -4.855 2.549 94 HA LEU 15 HA LEU 15 9.896 -4.792 4.723 95 1HB LEU 15 2HB LEU 15 10.398 -5.204 1.769 96 2HB LEU 15 1HB LEU 15 11.533 -5.554 3.059 97 HG LEU 15 HG LEU 15 8.890 -6.954 2.637 98 1HD1 LEU 15 1HD1 LEU 15 11.453 -8.393 2.407 99 2HD1 LEU 15 2HD1 LEU 15 11.066 -7.275 1.098 100 3HD1 LEU 15 3HD1 LEU 15 9.954 -8.584 1.499 101 1HD2 LEU 15 1HD2 LEU 15 9.763 -8.526 4.336 102 2HD2 LEU 15 2HD2 LEU 15 9.473 -6.908 4.976 103 3HD2 LEU 15 3HD2 LEU 15 11.118 -7.432 4.612 104 H LEU 16 H LEU 16 8.920 -2.740 2.202 105 HA LEU 16 HA LEU 16 11.211 -0.980 2.291 106 1HB LEU 16 2HB LEU 16 8.533 -0.797 0.913 107 2HB LEU 16 1HB LEU 16 9.738 0.463 0.821 108 HG LEU 16 HG LEU 16 9.728 -0.931 -1.182 109 1HD1 LEU 16 1HD1 LEU 16 12.107 -0.763 0.575 110 2HD1 LEU 16 2HD1 LEU 16 11.804 -0.028 -1.000 111 3HD1 LEU 16 3HD1 LEU 16 12.231 -1.737 -0.892 112 1HD2 LEU 16 1HD2 LEU 16 9.183 -3.079 -0.831 113 2HD2 LEU 16 2HD2 LEU 16 9.931 -3.122 0.766 114 3HD2 LEU 16 3HD2 LEU 16 10.930 -3.273 -0.680 115 H GLY 17 H GLY 17 8.225 -1.393 3.888 116 1HA GLY 17 2HA GLY 17 7.764 -0.335 5.967 117 2HA GLY 17 1HA GLY 17 8.701 1.052 5.434 118 H CYS 18 H CYS 18 6.591 -0.171 3.048 119 HA CYS 18 HA CYS 18 5.016 2.211 3.160 120 1HB CYS 18 2HB CYS 18 5.200 -0.098 1.322 121 2HB CYS 18 1HB CYS 18 3.675 0.772 1.352 122 H SER 19 H SER 19 3.300 2.581 4.263 123 HA SER 19 HA SER 19 1.903 0.358 5.547 124 1HB SER 19 2HB SER 19 2.774 2.259 6.937 125 2HB SER 19 1HB SER 19 1.641 3.322 6.105 126 HG SER 19 HG SER 19 0.699 2.618 8.005 127 H CYS 20 H CYS 20 -0.392 0.273 5.543 128 HA CYS 20 HA CYS 20 -1.540 0.830 2.999 129 1HB CYS 20 2HB CYS 20 -2.167 -1.161 4.265 130 2HB CYS 20 1HB CYS 20 -2.800 -0.160 5.566 131 H SER 21 H SER 21 -2.485 2.632 2.348 132 HA SER 21 HA SER 21 -4.053 4.245 4.180 133 1HB SER 21 2HB SER 21 -1.694 5.137 4.305 134 2HB SER 21 1HB SER 21 -1.803 5.500 2.584 135 HG SER 21 HG SER 21 -2.553 7.034 4.543 136 H ASN 22 H ASN 22 -5.855 4.853 3.141 137 HA ASN 22 HA ASN 22 -7.400 5.137 1.499 138 1HB ASN 22 2HB ASN 22 -4.940 6.296 0.228 139 2HB ASN 22 1HB ASN 22 -6.443 6.190 -0.683 140 1HD2 ASN 22 1HD2 ASN 22 -7.391 8.090 -0.719 141 2HD2 ASN 22 2HD2 ASN 22 -7.538 9.182 0.610 142 H ARG 23 H ARG 23 -6.146 2.593 1.749 143 HA ARG 23 HA ARG 23 -6.306 0.535 0.821 144 1HB ARG 23 2HB ARG 23 -7.522 1.970 -1.538 145 2HB ARG 23 1HB ARG 23 -7.478 0.227 -1.324 146 1HG ARG 23 2HG ARG 23 -8.921 0.353 0.575 147 2HG ARG 23 1HG ARG 23 -8.830 2.116 0.587 148 1HD ARG 23 2HD ARG 23 -10.070 0.379 -1.543 149 2HD ARG 23 1HD ARG 23 -10.920 1.425 -0.404 150 HE ARG 23 HE ARG 23 -9.086 2.974 -1.860 151 1HH1 ARG 23 1HH1 ARG 23 -12.073 1.219 -2.338 152 2HH1 ARG 23 2HH1 ARG 23 -12.606 2.217 -3.648 153 1HH2 ARG 23 1HH2 ARG 23 -9.776 4.299 -3.594 154 2HH2 ARG 23 2HH2 ARG 23 -11.293 3.978 -4.367 155 H VAL 24 H VAL 24 -4.030 2.509 0.233 156 HA VAL 24 HA VAL 24 -2.680 0.708 -1.617 157 HB VAL 24 HB VAL 24 -3.489 2.504 -3.067 158 1HG1 VAL 24 1HG1 VAL 24 -1.969 4.339 -1.228 159 2HG1 VAL 24 2HG1 VAL 24 -3.707 4.324 -1.530 160 3HG1 VAL 24 3HG1 VAL 24 -2.593 4.802 -2.812 161 1HG2 VAL 24 1HG2 VAL 24 -1.003 3.417 -3.598 162 2HG2 VAL 24 2HG2 VAL 24 -1.601 1.830 -4.080 163 3HG2 VAL 24 3HG2 VAL 24 -0.630 1.999 -2.618 164 H CYS 25 H CYS 25 -0.488 0.501 -1.226 165 HA CYS 25 HA CYS 25 0.343 1.332 1.391 166 1HB CYS 25 2HB CYS 25 1.984 -0.099 -0.701 167 2HB CYS 25 1HB CYS 25 2.217 -0.114 1.045 168 H TYR 26 H TYR 26 1.349 3.144 1.888 169 HA TYR 26 HA TYR 26 3.065 4.452 -0.123 170 1HB TYR 26 2HB TYR 26 0.783 5.572 1.390 171 2HB TYR 26 1HB TYR 26 2.209 6.586 1.283 172 HD1 TYR 26 HD1 TYR 26 1.845 8.258 -0.239 173 HD2 TYR 26 HD2 TYR 26 0.522 4.330 -1.191 174 HE1 TYR 26 HE1 TYR 26 1.136 9.043 -2.457 175 HE2 TYR 26 HE2 TYR 26 -0.189 5.105 -3.414 176 HH TYR 26 HH TYR 26 -0.764 7.085 -4.577 177 H ASN 27 H ASN 27 4.814 5.558 0.627 178 HA ASN 27 HA ASN 27 5.405 5.883 3.416 179 1HB ASN 27 2HB ASN 27 5.960 3.541 3.277 180 2HB ASN 27 1HB ASN 27 6.903 3.790 1.819 181 1HD2 ASN 27 1HD2 ASN 27 8.855 3.193 2.432 182 2HD2 ASN 27 2HD2 ASN 27 9.728 3.836 3.768 183 H GLY 28 H GLY 28 5.294 7.948 2.222 184 1HA GLY 28 2HA GLY 28 6.540 9.849 1.673 185 2HA GLY 28 1HA GLY 28 7.965 8.827 1.482 186 H ILE 29 H ILE 29 7.097 6.953 -0.208 187 HA ILE 29 HA ILE 29 6.302 8.376 -2.653 188 HB ILE 29 HB ILE 29 7.732 6.778 -3.917 189 1HG1 ILE 29 2HG1 ILE 29 8.846 6.066 -1.192 190 2HG1 ILE 29 1HG1 ILE 29 7.828 5.017 -2.173 191 1HG2 ILE 29 1HG2 ILE 29 8.695 8.908 -2.163 192 2HG2 ILE 29 2HG2 ILE 29 8.955 8.650 -3.889 193 3HG2 ILE 29 3HG2 ILE 29 9.957 7.804 -2.709 194 1HD1 ILE 29 1HD1 ILE 29 10.516 4.930 -2.146 195 2HD1 ILE 29 2HD1 ILE 29 10.247 6.026 -3.501 196 3HD1 ILE 29 3HD1 ILE 29 9.526 4.417 -3.512 197 HA PRO 30 HA PRO 30 3.197 5.249 -2.927 198 1HB PRO 30 2HB PRO 30 3.340 5.196 -5.832 199 2HB PRO 30 1HB PRO 30 2.098 5.904 -4.798 200 1HG PRO 30 2HG PRO 30 3.792 7.393 -6.318 201 2HG PRO 30 1HG PRO 30 3.095 7.968 -4.792 202 1HD PRO 30 2HD PRO 30 5.823 6.854 -5.330 203 2HD PRO 30 1HD PRO 30 5.347 8.225 -4.302 Start of MODEL 18 1 H CYS 1 H CYS 1 3.423 3.060 -2.593 2 HA CYS 1 HA CYS 1 5.510 1.547 -3.933 3 1HB CYS 1 2HB CYS 1 3.633 0.962 -1.686 4 2HB CYS 1 1HB CYS 1 4.433 -0.354 -2.521 5 H ALA 2 H ALA 2 4.960 -0.568 -4.897 6 HA ALA 2 HA ALA 2 2.716 -0.204 -6.700 7 1HB ALA 2 1HB ALA 2 4.124 -2.596 -7.285 8 2HB ALA 2 2HB ALA 2 5.306 -1.337 -6.927 9 3HB ALA 2 3HB ALA 2 4.102 -1.083 -8.190 10 H GLU 3 H GLU 3 1.754 -0.715 -4.241 11 HA GLU 3 HA GLU 3 0.495 -3.309 -4.639 12 1HB GLU 3 2HB GLU 3 2.040 -2.546 -2.176 13 2HB GLU 3 1HB GLU 3 0.708 -3.686 -2.091 14 1HG GLU 3 2HG GLU 3 1.903 -5.057 -3.816 15 2HG GLU 3 1HG GLU 3 3.280 -3.975 -3.613 16 H SER 4 H SER 4 -1.581 -3.346 -4.066 17 HA SER 4 HA SER 4 -2.668 -0.950 -2.762 18 1HB SER 4 2HB SER 4 -4.858 -1.801 -3.842 19 2HB SER 4 1HB SER 4 -3.661 -1.038 -4.880 20 HG SER 4 HG SER 4 -3.786 -3.839 -4.480 21 H CYS 5 H CYS 5 -3.420 -1.245 -0.801 22 HA CYS 5 HA CYS 5 -3.572 -3.940 0.238 23 1HB CYS 5 2HB CYS 5 -3.927 -2.781 2.438 24 2HB CYS 5 1HB CYS 5 -2.417 -2.405 1.622 25 H VAL 6 H VAL 6 -5.667 -2.191 -1.409 26 HA VAL 6 HA VAL 6 -8.060 -1.812 -0.323 27 HB VAL 6 HB VAL 6 -7.858 -3.521 -2.796 28 1HG1 VAL 6 1HG1 VAL 6 -10.110 -3.093 -1.934 29 2HG1 VAL 6 2HG1 VAL 6 -9.846 -2.307 -3.490 30 3HG1 VAL 6 3HG1 VAL 6 -9.803 -1.358 -2.004 31 1HG2 VAL 6 1HG2 VAL 6 -6.525 -1.098 -2.393 32 2HG2 VAL 6 2HG2 VAL 6 -7.950 -0.702 -3.353 33 3HG2 VAL 6 3HG2 VAL 6 -6.812 -1.922 -3.926 34 H TYR 7 H TYR 7 -6.885 -5.085 -1.113 35 HA TYR 7 HA TYR 7 -9.007 -6.140 0.634 36 1HB TYR 7 2HB TYR 7 -8.126 -7.023 -2.072 37 2HB TYR 7 1HB TYR 7 -8.645 -8.247 -0.924 38 HD1 TYR 7 HD1 TYR 7 -10.828 -8.920 -1.145 39 HD2 TYR 7 HD2 TYR 7 -9.848 -4.889 -2.081 40 HE1 TYR 7 HE1 TYR 7 -13.172 -8.499 -1.759 41 HE2 TYR 7 HE2 TYR 7 -12.189 -4.456 -2.693 42 HH TYR 7 HH TYR 7 -14.525 -5.609 -1.972 43 H ILE 8 H ILE 8 -5.723 -5.807 0.287 44 HA ILE 8 HA ILE 8 -5.199 -7.850 2.279 45 HB ILE 8 HB ILE 8 -3.186 -8.684 0.883 46 1HG1 ILE 8 2HG1 ILE 8 -5.006 -7.775 -1.356 47 2HG1 ILE 8 1HG1 ILE 8 -3.459 -7.044 -0.944 48 1HG2 ILE 8 1HG2 ILE 8 -4.811 -10.250 1.494 49 2HG2 ILE 8 2HG2 ILE 8 -4.656 -10.414 -0.255 50 3HG2 ILE 8 3HG2 ILE 8 -6.024 -9.537 0.429 51 1HD1 ILE 8 1HD1 ILE 8 -4.045 -9.624 -2.287 52 2HD1 ILE 8 2HD1 ILE 8 -2.584 -9.495 -1.308 53 3HD1 ILE 8 3HD1 ILE 8 -2.837 -8.397 -2.665 54 HA PRO 9 HA PRO 9 -2.354 -4.731 3.591 55 1HB PRO 9 2HB PRO 9 -0.719 -6.331 5.110 56 2HB PRO 9 1HB PRO 9 -2.265 -5.678 5.656 57 1HG PRO 9 2HG PRO 9 -1.616 -8.396 4.604 58 2HG PRO 9 1HG PRO 9 -2.708 -7.935 5.923 59 1HD PRO 9 2HD PRO 9 -3.612 -8.612 3.471 60 2HD PRO 9 1HD PRO 9 -4.428 -7.402 4.481 61 H CYS 10 H CYS 10 -0.306 -3.993 3.182 62 HA CYS 10 HA CYS 10 0.988 -4.790 0.853 63 1HB CYS 10 2HB CYS 10 2.369 -3.340 3.106 64 2HB CYS 10 1HB CYS 10 2.606 -3.142 1.371 65 H THR 11 H THR 11 2.562 -6.255 0.402 66 HA THR 11 HA THR 11 3.621 -7.761 2.706 67 HB THR 11 HB THR 11 3.364 -8.721 -0.146 68 HG1 THR 11 HG1 THR 11 1.370 -8.281 1.255 69 1HG2 THR 11 1HG2 THR 11 3.436 -10.756 1.889 70 2HG2 THR 11 2HG2 THR 11 4.853 -9.715 2.018 71 3HG2 THR 11 3HG2 THR 11 4.497 -10.534 0.498 72 H VAL 12 H VAL 12 4.689 -7.294 -0.688 73 HA VAL 12 HA VAL 12 7.433 -7.595 -0.078 74 HB VAL 12 HB VAL 12 6.431 -5.966 -2.404 75 1HG1 VAL 12 1HG1 VAL 12 8.559 -6.030 -3.006 76 2HG1 VAL 12 2HG1 VAL 12 8.464 -7.788 -3.116 77 3HG1 VAL 12 3HG1 VAL 12 8.951 -7.024 -1.603 78 1HG2 VAL 12 1HG2 VAL 12 6.750 -8.748 -3.069 79 2HG2 VAL 12 2HG2 VAL 12 5.383 -7.669 -3.356 80 3HG2 VAL 12 3HG2 VAL 12 5.518 -8.537 -1.825 81 H THR 13 H THR 13 5.507 -4.774 -0.817 82 HA THR 13 HA THR 13 7.489 -2.846 -0.334 83 HB THR 13 HB THR 13 5.588 -1.253 -0.369 84 HG1 THR 13 HG1 THR 13 3.961 -3.568 -0.763 85 1HG2 THR 13 1HG2 THR 13 5.991 -1.428 -2.563 86 2HG2 THR 13 2HG2 THR 13 4.690 -2.616 -2.640 87 3HG2 THR 13 3HG2 THR 13 6.356 -3.147 -2.414 88 H ALA 14 H ALA 14 5.873 -4.806 1.851 89 HA ALA 14 HA ALA 14 5.538 -2.958 3.999 90 1HB ALA 14 1HB ALA 14 4.482 -5.310 3.715 91 2HB ALA 14 2HB ALA 14 4.954 -4.772 5.327 92 3HB ALA 14 3HB ALA 14 5.987 -5.887 4.432 93 H LEU 15 H LEU 15 8.126 -4.867 2.695 94 HA LEU 15 HA LEU 15 9.889 -4.653 4.936 95 1HB LEU 15 2HB LEU 15 10.528 -5.132 2.020 96 2HB LEU 15 1HB LEU 15 11.624 -5.390 3.364 97 HG LEU 15 HG LEU 15 9.065 -6.920 2.890 98 1HD1 LEU 15 1HD1 LEU 15 11.627 -8.328 2.816 99 2HD1 LEU 15 2HD1 LEU 15 11.394 -7.177 1.501 100 3HD1 LEU 15 3HD1 LEU 15 10.221 -8.468 1.762 101 1HD2 LEU 15 1HD2 LEU 15 9.834 -6.599 5.284 102 2HD2 LEU 15 2HD2 LEU 15 11.256 -7.547 4.850 103 3HD2 LEU 15 3HD2 LEU 15 9.650 -8.266 4.737 104 H LEU 16 H LEU 16 8.923 -2.711 2.325 105 HA LEU 16 HA LEU 16 11.144 -0.870 2.423 106 1HB LEU 16 2HB LEU 16 8.479 -0.793 1.012 107 2HB LEU 16 1HB LEU 16 9.643 0.504 0.916 108 HG LEU 16 HG LEU 16 9.701 -0.924 -1.065 109 1HD1 LEU 16 1HD1 LEU 16 12.131 -0.912 0.694 110 2HD1 LEU 16 2HD1 LEU 16 11.720 0.194 -0.616 111 3HD1 LEU 16 3HD1 LEU 16 12.170 -1.472 -0.978 112 1HD2 LEU 16 1HD2 LEU 16 10.106 -3.168 -1.104 113 2HD2 LEU 16 2HD2 LEU 16 9.167 -3.035 0.383 114 3HD2 LEU 16 3HD2 LEU 16 10.925 -3.160 0.458 115 H GLY 17 H GLY 17 8.163 -1.351 4.007 116 1HA GLY 17 2HA GLY 17 7.655 -0.260 6.059 117 2HA GLY 17 1HA GLY 17 8.545 1.146 5.496 118 H CYS 18 H CYS 18 6.612 -0.064 3.026 119 HA CYS 18 HA CYS 18 4.929 2.212 3.076 120 1HB CYS 18 2HB CYS 18 5.173 -0.168 1.344 121 2HB CYS 18 1HB CYS 18 3.629 0.669 1.333 122 H SER 19 H SER 19 3.247 2.592 4.208 123 HA SER 19 HA SER 19 1.858 0.391 5.537 124 1HB SER 19 2HB SER 19 1.695 3.375 6.029 125 2HB SER 19 1HB SER 19 0.957 2.116 7.021 126 HG SER 19 HG SER 19 3.738 2.142 6.520 127 H CYS 20 H CYS 20 -0.430 0.279 5.529 128 HA CYS 20 HA CYS 20 -1.590 0.831 2.990 129 1HB CYS 20 2HB CYS 20 -2.208 -1.155 4.297 130 2HB CYS 20 1HB CYS 20 -2.874 -0.125 5.560 131 H SER 21 H SER 21 -2.485 2.663 2.345 132 HA SER 21 HA SER 21 -4.032 4.288 4.194 133 1HB SER 21 2HB SER 21 -1.679 5.418 2.646 134 2HB SER 21 1HB SER 21 -2.832 6.361 3.592 135 HG SER 21 HG SER 21 -1.816 4.363 5.084 136 H ASN 22 H ASN 22 -5.856 4.788 3.177 137 HA ASN 22 HA ASN 22 -7.408 5.139 1.555 138 1HB ASN 22 2HB ASN 22 -5.011 6.212 0.057 139 2HB ASN 22 1HB ASN 22 -6.674 6.358 -0.498 140 1HD2 ASN 22 1HD2 ASN 22 -4.319 8.046 0.855 141 2HD2 ASN 22 2HD2 ASN 22 -5.225 9.138 1.839 142 H ARG 23 H ARG 23 -6.237 2.604 1.761 143 HA ARG 23 HA ARG 23 -6.353 0.569 0.799 144 1HB ARG 23 2HB ARG 23 -7.746 2.144 -1.342 145 2HB ARG 23 1HB ARG 23 -7.402 0.435 -1.554 146 1HG ARG 23 2HG ARG 23 -9.591 0.504 -0.757 147 2HG ARG 23 1HG ARG 23 -8.623 0.083 0.655 148 1HD ARG 23 2HD ARG 23 -8.657 2.459 1.337 149 2HD ARG 23 1HD ARG 23 -9.708 2.811 -0.035 150 HE ARG 23 HE ARG 23 -10.828 0.743 1.527 151 1HH1 ARG 23 1HH1 ARG 23 -10.268 4.195 1.573 152 2HH1 ARG 23 2HH1 ARG 23 -11.599 4.534 2.629 153 1HH2 ARG 23 1HH2 ARG 23 -12.593 1.176 2.924 154 2HH2 ARG 23 2HH2 ARG 23 -12.927 2.808 3.401 155 H VAL 24 H VAL 24 -4.148 2.704 0.079 156 HA VAL 24 HA VAL 24 -2.800 0.883 -1.783 157 HB VAL 24 HB VAL 24 -1.682 2.797 -2.901 158 1HG1 VAL 24 1HG1 VAL 24 -4.331 3.565 -3.625 159 2HG1 VAL 24 2HG1 VAL 24 -4.299 1.832 -3.299 160 3HG1 VAL 24 3HG1 VAL 24 -3.199 2.526 -4.490 161 1HG2 VAL 24 1HG2 VAL 24 -1.943 4.515 -1.228 162 2HG2 VAL 24 2HG2 VAL 24 -3.698 4.454 -1.391 163 3HG2 VAL 24 3HG2 VAL 24 -2.707 5.040 -2.728 164 H CYS 25 H CYS 25 -0.564 0.699 -1.500 165 HA CYS 25 HA CYS 25 0.301 1.275 1.186 166 1HB CYS 25 2HB CYS 25 1.787 -0.030 -1.104 167 2HB CYS 25 1HB CYS 25 2.262 -0.056 0.591 168 H TYR 26 H TYR 26 1.347 3.045 1.809 169 HA TYR 26 HA TYR 26 3.028 4.475 -0.136 170 1HB TYR 26 2HB TYR 26 0.763 5.512 -0.016 171 2HB TYR 26 1HB TYR 26 1.028 5.813 1.696 172 HD1 TYR 26 HD1 TYR 26 2.718 6.444 -1.579 173 HD2 TYR 26 HD2 TYR 26 1.750 7.919 2.291 174 HE1 TYR 26 HE1 TYR 26 3.769 8.594 -2.142 175 HE2 TYR 26 HE2 TYR 26 2.798 10.073 1.739 176 HH TYR 26 HH TYR 26 4.860 10.520 -0.794 177 H ASN 27 H ASN 27 4.783 5.480 0.672 178 HA ASN 27 HA ASN 27 5.219 5.923 3.473 179 1HB ASN 27 2HB ASN 27 5.724 3.595 3.556 180 2HB ASN 27 1HB ASN 27 6.667 3.666 2.075 181 1HD2 ASN 27 1HD2 ASN 27 8.659 3.189 2.604 182 2HD2 ASN 27 2HD2 ASN 27 9.553 3.848 3.917 183 H GLY 28 H GLY 28 5.278 7.949 2.251 184 1HA GLY 28 2HA GLY 28 6.620 9.777 1.682 185 2HA GLY 28 1HA GLY 28 8.015 8.696 1.616 186 H ILE 29 H ILE 29 7.255 6.802 -0.053 187 HA ILE 29 HA ILE 29 6.644 8.141 -2.601 188 HB ILE 29 HB ILE 29 8.045 6.411 -3.704 189 1HG1 ILE 29 2HG1 ILE 29 8.964 5.749 -0.895 190 2HG1 ILE 29 1HG1 ILE 29 7.918 4.729 -1.876 191 1HG2 ILE 29 1HG2 ILE 29 10.282 7.319 -2.779 192 2HG2 ILE 29 2HG2 ILE 29 9.260 8.330 -1.757 193 3HG2 ILE 29 3HG2 ILE 29 9.140 8.445 -3.513 194 1HD1 ILE 29 1HD1 ILE 29 10.825 5.175 -2.032 195 2HD1 ILE 29 2HD1 ILE 29 9.972 4.998 -3.565 196 3HD1 ILE 29 3HD1 ILE 29 9.875 3.724 -2.350 197 HA PRO 30 HA PRO 30 3.378 5.209 -2.816 198 1HB PRO 30 2HB PRO 30 2.930 5.130 -5.475 199 2HB PRO 30 1HB PRO 30 2.533 6.541 -4.493 200 1HG PRO 30 2HG PRO 30 4.855 6.079 -6.306 201 2HG PRO 30 1HG PRO 30 3.926 7.562 -6.025 202 1HD PRO 30 2HD PRO 30 6.383 7.014 -4.901 203 2HD PRO 30 1HD PRO 30 5.200 8.150 -4.227 Start of MODEL 19 1 H CYS 1 H CYS 1 3.375 3.098 -2.603 2 HA CYS 1 HA CYS 1 5.519 1.659 -3.932 3 1HB CYS 1 2HB CYS 1 3.667 1.034 -1.678 4 2HB CYS 1 1HB CYS 1 4.495 -0.267 -2.507 5 H ALA 2 H ALA 2 5.040 -0.526 -4.824 6 HA ALA 2 HA ALA 2 2.815 -0.277 -6.670 7 1HB ALA 2 1HB ALA 2 4.115 -1.326 -8.144 8 2HB ALA 2 2HB ALA 2 4.471 -2.635 -7.017 9 3HB ALA 2 3HB ALA 2 5.417 -1.147 -6.969 10 H GLU 3 H GLU 3 1.879 -0.776 -4.176 11 HA GLU 3 HA GLU 3 0.659 -3.392 -4.548 12 1HB GLU 3 2HB GLU 3 2.205 -2.594 -2.093 13 2HB GLU 3 1HB GLU 3 0.886 -3.745 -1.993 14 1HG GLU 3 2HG GLU 3 2.112 -5.095 -3.747 15 2HG GLU 3 1HG GLU 3 3.482 -4.020 -3.475 16 H SER 4 H SER 4 -1.418 -3.474 -3.888 17 HA SER 4 HA SER 4 -2.495 -1.062 -2.606 18 1HB SER 4 2HB SER 4 -4.681 -1.994 -3.793 19 2HB SER 4 1HB SER 4 -3.539 -0.965 -4.652 20 HG SER 4 HG SER 4 -3.057 -2.581 -5.914 21 H CYS 5 H CYS 5 -3.323 -1.385 -0.674 22 HA CYS 5 HA CYS 5 -3.526 -4.083 0.328 23 1HB CYS 5 2HB CYS 5 -4.118 -2.839 2.495 24 2HB CYS 5 1HB CYS 5 -2.496 -2.648 1.844 25 H VAL 6 H VAL 6 -5.565 -2.287 -1.382 26 HA VAL 6 HA VAL 6 -8.015 -2.023 -0.335 27 HB VAL 6 HB VAL 6 -7.694 -3.474 -2.954 28 1HG1 VAL 6 1HG1 VAL 6 -9.594 -1.248 -2.630 29 2HG1 VAL 6 2HG1 VAL 6 -9.947 -2.702 -1.697 30 3HG1 VAL 6 3HG1 VAL 6 -9.783 -2.799 -3.450 31 1HG2 VAL 6 1HG2 VAL 6 -7.762 -0.574 -3.135 32 2HG2 VAL 6 2HG2 VAL 6 -6.709 -1.736 -3.944 33 3HG2 VAL 6 3HG2 VAL 6 -6.319 -1.174 -2.317 34 H TYR 7 H TYR 7 -6.683 -5.169 -1.342 35 HA TYR 7 HA TYR 7 -8.977 -6.445 -0.009 36 1HB TYR 7 2HB TYR 7 -7.382 -7.251 -2.416 37 2HB TYR 7 1HB TYR 7 -8.235 -8.461 -1.470 38 HD1 TYR 7 HD1 TYR 7 -10.283 -9.084 -2.296 39 HD2 TYR 7 HD2 TYR 7 -8.979 -5.084 -2.920 40 HE1 TYR 7 HE1 TYR 7 -12.344 -8.613 -3.551 41 HE2 TYR 7 HE2 TYR 7 -11.037 -4.601 -4.173 42 HH TYR 7 HH TYR 7 -13.612 -5.905 -4.055 43 H ILE 8 H ILE 8 -5.615 -6.007 0.162 44 HA ILE 8 HA ILE 8 -5.390 -7.806 2.407 45 HB ILE 8 HB ILE 8 -3.264 -8.870 1.331 46 1HG1 ILE 8 2HG1 ILE 8 -4.909 -8.320 -1.146 47 2HG1 ILE 8 1HG1 ILE 8 -3.374 -7.554 -0.751 48 1HG2 ILE 8 1HG2 ILE 8 -6.094 -9.725 1.029 49 2HG2 ILE 8 2HG2 ILE 8 -4.799 -10.415 2.007 50 3HG2 ILE 8 3HG2 ILE 8 -4.825 -10.682 0.263 51 1HD1 ILE 8 1HD1 ILE 8 -2.937 -10.325 -0.621 52 2HD1 ILE 8 2HD1 ILE 8 -2.342 -9.183 -1.826 53 3HD1 ILE 8 3HD1 ILE 8 -3.870 -10.023 -2.087 54 HA PRO 9 HA PRO 9 -2.527 -4.695 3.675 55 1HB PRO 9 2HB PRO 9 -0.895 -6.297 5.239 56 2HB PRO 9 1HB PRO 9 -2.399 -5.547 5.774 57 1HG PRO 9 2HG PRO 9 -1.895 -8.336 4.842 58 2HG PRO 9 1HG PRO 9 -2.958 -7.760 6.138 59 1HD PRO 9 2HD PRO 9 -3.927 -8.513 3.750 60 2HD PRO 9 1HD PRO 9 -4.642 -7.167 4.663 61 H CYS 10 H CYS 10 -0.486 -3.948 3.240 62 HA CYS 10 HA CYS 10 0.820 -4.776 0.948 63 1HB CYS 10 2HB CYS 10 2.172 -3.317 3.218 64 2HB CYS 10 1HB CYS 10 2.501 -3.175 1.494 65 H THR 11 H THR 11 2.517 -6.137 0.502 66 HA THR 11 HA THR 11 3.577 -7.655 2.796 67 HB THR 11 HB THR 11 3.181 -8.682 -0.021 68 HG1 THR 11 HG1 THR 11 1.281 -8.259 1.540 69 1HG2 THR 11 1HG2 THR 11 3.504 -10.904 1.222 70 2HG2 THR 11 2HG2 THR 11 4.187 -9.930 2.524 71 3HG2 THR 11 3HG2 THR 11 4.938 -9.922 0.928 72 H VAL 12 H VAL 12 4.453 -7.213 -0.652 73 HA VAL 12 HA VAL 12 7.226 -7.472 -0.212 74 HB VAL 12 HB VAL 12 5.969 -5.883 -2.450 75 1HG1 VAL 12 1HG1 VAL 12 7.925 -6.192 -3.635 76 2HG1 VAL 12 2HG1 VAL 12 8.409 -7.591 -2.676 77 3HG1 VAL 12 3HG1 VAL 12 8.522 -5.970 -1.990 78 1HG2 VAL 12 1HG2 VAL 12 6.610 -8.674 -3.020 79 2HG2 VAL 12 2HG2 VAL 12 5.200 -7.713 -3.470 80 3HG2 VAL 12 3HG2 VAL 12 5.285 -8.464 -1.874 81 H THR 13 H THR 13 5.239 -4.603 -0.773 82 HA THR 13 HA THR 13 7.351 -2.773 -0.297 83 HB THR 13 HB THR 13 5.707 -1.047 -0.480 84 HG1 THR 13 HG1 THR 13 3.702 -3.078 -0.329 85 1HG2 THR 13 1HG2 THR 13 4.322 -2.282 -2.486 86 2HG2 THR 13 2HG2 THR 13 5.726 -3.335 -2.317 87 3HG2 THR 13 3HG2 THR 13 5.948 -1.617 -2.646 88 H ALA 14 H ALA 14 5.634 -4.696 1.823 89 HA ALA 14 HA ALA 14 5.383 -2.902 4.026 90 1HB ALA 14 1HB ALA 14 4.729 -5.614 3.523 91 2HB ALA 14 2HB ALA 14 4.291 -4.628 4.918 92 3HB ALA 14 3HB ALA 14 5.777 -5.579 4.942 93 H LEU 15 H LEU 15 7.847 -4.955 2.677 94 HA LEU 15 HA LEU 15 9.693 -4.800 4.833 95 1HB LEU 15 2HB LEU 15 9.794 -6.522 3.053 96 2HB LEU 15 1HB LEU 15 10.206 -5.275 1.892 97 HG LEU 15 HG LEU 15 12.296 -4.834 3.161 98 1HD1 LEU 15 1HD1 LEU 15 12.214 -5.504 5.305 99 2HD1 LEU 15 2HD1 LEU 15 12.786 -7.037 4.646 100 3HD1 LEU 15 3HD1 LEU 15 11.068 -6.800 4.969 101 1HD2 LEU 15 1HD2 LEU 15 12.364 -7.739 2.581 102 2HD2 LEU 15 2HD2 LEU 15 13.439 -6.448 2.042 103 3HD2 LEU 15 3HD2 LEU 15 11.864 -6.660 1.278 104 H LEU 16 H LEU 16 8.798 -2.777 2.208 105 HA LEU 16 HA LEU 16 11.106 -1.045 2.358 106 1HB LEU 16 2HB LEU 16 8.461 -0.548 0.989 107 2HB LEU 16 1HB LEU 16 9.955 0.328 0.725 108 HG LEU 16 HG LEU 16 9.488 -2.574 0.029 109 1HD1 LEU 16 1HD1 LEU 16 9.823 -0.212 -1.807 110 2HD1 LEU 16 2HD1 LEU 16 8.263 -0.905 -1.366 111 3HD1 LEU 16 3HD1 LEU 16 9.441 -1.875 -2.252 112 1HD2 LEU 16 1HD2 LEU 16 11.833 -0.836 -0.705 113 2HD2 LEU 16 2HD2 LEU 16 11.648 -2.573 -0.947 114 3HD2 LEU 16 3HD2 LEU 16 11.834 -1.924 0.682 115 H GLY 17 H GLY 17 8.106 -1.385 3.935 116 1HA GLY 17 2HA GLY 17 7.672 -0.268 5.996 117 2HA GLY 17 1HA GLY 17 8.594 1.108 5.407 118 H CYS 18 H CYS 18 6.580 -0.063 2.981 119 HA CYS 18 HA CYS 18 4.958 2.265 3.075 120 1HB CYS 18 2HB CYS 18 5.154 -0.079 1.292 121 2HB CYS 18 1HB CYS 18 3.622 0.780 1.304 122 H SER 19 H SER 19 3.276 2.662 4.202 123 HA SER 19 HA SER 19 1.850 0.479 5.521 124 1HB SER 19 2HB SER 19 1.702 3.466 6.001 125 2HB SER 19 1HB SER 19 0.968 2.210 7.000 126 HG SER 19 HG SER 19 3.740 2.185 6.490 127 H CYS 20 H CYS 20 -0.414 0.320 5.447 128 HA CYS 20 HA CYS 20 -1.578 0.827 2.928 129 1HB CYS 20 2HB CYS 20 -2.228 -1.053 4.408 130 2HB CYS 20 1HB CYS 20 -2.939 0.097 5.532 131 H SER 21 H SER 21 -1.905 2.871 2.283 132 HA SER 21 HA SER 21 -3.401 4.656 4.088 133 1HB SER 21 2HB SER 21 -1.446 5.518 1.942 134 2HB SER 21 1HB SER 21 -2.215 6.538 3.160 135 HG SER 21 HG SER 21 -0.507 4.371 3.808 136 H ASN 22 H ASN 22 -5.427 4.730 3.372 137 HA ASN 22 HA ASN 22 -7.244 4.848 2.023 138 1HB ASN 22 2HB ASN 22 -5.226 6.486 0.569 139 2HB ASN 22 1HB ASN 22 -6.727 6.091 -0.262 140 1HD2 ASN 22 1HD2 ASN 22 -5.303 8.412 1.457 141 2HD2 ASN 22 2HD2 ASN 22 -6.679 9.133 2.214 142 H ARG 23 H ARG 23 -6.000 2.444 1.969 143 HA ARG 23 HA ARG 23 -6.128 0.446 0.920 144 1HB ARG 23 2HB ARG 23 -7.580 2.071 -1.156 145 2HB ARG 23 1HB ARG 23 -7.258 0.360 -1.376 146 1HG ARG 23 2HG ARG 23 -9.453 0.495 -0.562 147 2HG ARG 23 1HG ARG 23 -8.475 -0.017 0.813 148 1HD ARG 23 2HD ARG 23 -10.150 1.710 1.393 149 2HD ARG 23 1HD ARG 23 -8.492 2.216 1.718 150 HE ARG 23 HE ARG 23 -9.203 3.082 -0.851 151 1HH1 ARG 23 1HH1 ARG 23 -10.043 3.727 2.486 152 2HH1 ARG 23 2HH1 ARG 23 -10.412 5.397 2.207 153 1HH2 ARG 23 1HH2 ARG 23 -9.687 5.288 -1.225 154 2HH2 ARG 23 2HH2 ARG 23 -10.207 6.287 0.093 155 H VAL 24 H VAL 24 -4.082 2.777 0.130 156 HA VAL 24 HA VAL 24 -2.707 1.099 -1.864 157 HB VAL 24 HB VAL 24 -2.629 4.124 -1.766 158 1HG1 VAL 24 1HG1 VAL 24 -1.536 3.726 -4.062 159 2HG1 VAL 24 2HG1 VAL 24 -1.249 2.087 -3.475 160 3HG1 VAL 24 3HG1 VAL 24 -0.565 3.465 -2.614 161 1HG2 VAL 24 1HG2 VAL 24 -4.791 3.131 -2.582 162 2HG2 VAL 24 2HG2 VAL 24 -3.874 2.409 -3.905 163 3HG2 VAL 24 3HG2 VAL 24 -3.952 4.164 -3.739 164 H CYS 25 H CYS 25 -0.598 0.637 -1.400 165 HA CYS 25 HA CYS 25 0.361 1.263 1.216 166 1HB CYS 25 2HB CYS 25 1.823 -0.023 -1.101 167 2HB CYS 25 1HB CYS 25 2.295 -0.084 0.595 168 H TYR 26 H TYR 26 1.382 3.050 1.823 169 HA TYR 26 HA TYR 26 3.043 4.498 -0.128 170 1HB TYR 26 2HB TYR 26 0.789 5.522 -0.021 171 2HB TYR 26 1HB TYR 26 1.001 5.772 1.706 172 HD1 TYR 26 HD1 TYR 26 2.706 6.568 -1.523 173 HD2 TYR 26 HD2 TYR 26 1.730 7.843 2.415 174 HE1 TYR 26 HE1 TYR 26 3.732 8.752 -1.983 175 HE2 TYR 26 HE2 TYR 26 2.755 10.034 1.966 176 HH TYR 26 HH TYR 26 4.787 10.620 -0.606 177 H ASN 27 H ASN 27 4.800 5.494 0.663 178 HA ASN 27 HA ASN 27 5.240 5.972 3.457 179 1HB ASN 27 2HB ASN 27 5.761 3.639 3.553 180 2HB ASN 27 1HB ASN 27 6.732 3.721 2.090 181 1HD2 ASN 27 1HD2 ASN 27 8.712 3.238 2.708 182 2HD2 ASN 27 2HD2 ASN 27 9.567 3.956 4.019 183 H GLY 28 H GLY 28 5.303 7.989 2.272 184 1HA GLY 28 2HA GLY 28 6.653 9.816 1.712 185 2HA GLY 28 1HA GLY 28 8.029 8.720 1.566 186 H ILE 29 H ILE 29 7.157 6.873 -0.122 187 HA ILE 29 HA ILE 29 6.421 8.291 -2.583 188 HB ILE 29 HB ILE 29 7.820 6.497 -3.765 189 1HG1 ILE 29 2HG1 ILE 29 9.875 5.900 -2.242 190 2HG1 ILE 29 1HG1 ILE 29 8.727 6.122 -0.928 191 1HG2 ILE 29 1HG2 ILE 29 8.658 8.622 -3.981 192 2HG2 ILE 29 2HG2 ILE 29 9.994 7.806 -3.170 193 3HG2 ILE 29 3HG2 ILE 29 8.892 8.823 -2.245 194 1HD1 ILE 29 1HD1 ILE 29 8.284 3.960 -1.212 195 2HD1 ILE 29 2HD1 ILE 29 9.018 3.925 -2.816 196 3HD1 ILE 29 3HD1 ILE 29 7.354 4.476 -2.619 197 HA PRO 30 HA PRO 30 3.249 5.242 -2.834 198 1HB PRO 30 2HB PRO 30 3.287 5.269 -5.736 199 2HB PRO 30 1HB PRO 30 2.113 6.001 -4.642 200 1HG PRO 30 2HG PRO 30 3.821 7.451 -6.194 201 2HG PRO 30 1HG PRO 30 3.180 8.027 -4.644 202 1HD PRO 30 2HD PRO 30 5.856 6.830 -5.264 203 2HD PRO 30 1HD PRO 30 5.450 8.197 -4.201 Start of MODEL 20 1 H CYS 1 H CYS 1 3.357 3.004 -2.604 2 HA CYS 1 HA CYS 1 5.521 1.574 -3.912 3 1HB CYS 1 2HB CYS 1 3.649 0.951 -1.680 4 2HB CYS 1 1HB CYS 1 4.447 -0.366 -2.515 5 H ALA 2 H ALA 2 5.045 -0.615 -4.817 6 HA ALA 2 HA ALA 2 2.877 -0.328 -6.716 7 1HB ALA 2 1HB ALA 2 5.411 -1.815 -6.620 8 2HB ALA 2 2HB ALA 2 4.604 -1.030 -7.977 9 3HB ALA 2 3HB ALA 2 4.084 -2.630 -7.450 10 H GLU 3 H GLU 3 1.859 -0.759 -4.243 11 HA GLU 3 HA GLU 3 0.539 -3.321 -4.617 12 1HB GLU 3 2HB GLU 3 2.080 -2.581 -2.140 13 2HB GLU 3 1HB GLU 3 0.733 -3.703 -2.076 14 1HG GLU 3 2HG GLU 3 1.931 -5.095 -3.776 15 2HG GLU 3 1HG GLU 3 3.316 -4.025 -3.572 16 H SER 4 H SER 4 -1.544 -3.272 -4.073 17 HA SER 4 HA SER 4 -2.547 -0.844 -2.761 18 1HB SER 4 2HB SER 4 -4.768 -1.780 -3.890 19 2HB SER 4 1HB SER 4 -3.635 -0.778 -4.790 20 HG SER 4 HG SER 4 -3.115 -2.439 -5.994 21 H CYS 5 H CYS 5 -3.413 -1.129 -0.811 22 HA CYS 5 HA CYS 5 -3.597 -3.847 0.178 23 1HB CYS 5 2HB CYS 5 -3.913 -2.758 2.398 24 2HB CYS 5 1HB CYS 5 -2.420 -2.324 1.581 25 H VAL 6 H VAL 6 -5.623 -2.132 -1.506 26 HA VAL 6 HA VAL 6 -8.024 -1.650 -0.516 27 HB VAL 6 HB VAL 6 -7.740 -3.504 -2.877 28 1HG1 VAL 6 1HG1 VAL 6 -9.954 -3.292 -2.958 29 2HG1 VAL 6 2HG1 VAL 6 -9.698 -1.596 -3.370 30 3HG1 VAL 6 3HG1 VAL 6 -9.950 -2.067 -1.689 31 1HG2 VAL 6 1HG2 VAL 6 -7.875 -0.592 -3.315 32 2HG2 VAL 6 2HG2 VAL 6 -6.981 -1.834 -4.192 33 3HG2 VAL 6 3HG2 VAL 6 -6.356 -1.208 -2.666 34 H TYR 7 H TYR 7 -6.960 -4.997 -1.119 35 HA TYR 7 HA TYR 7 -8.967 -5.880 0.838 36 1HB TYR 7 2HB TYR 7 -8.585 -6.789 -1.964 37 2HB TYR 7 1HB TYR 7 -8.934 -8.014 -0.757 38 HD1 TYR 7 HD1 TYR 7 -10.217 -4.616 -1.685 39 HD2 TYR 7 HD2 TYR 7 -11.147 -8.613 -0.571 40 HE1 TYR 7 HE1 TYR 7 -12.612 -4.103 -1.872 41 HE2 TYR 7 HE2 TYR 7 -13.547 -8.112 -0.756 42 HH TYR 7 HH TYR 7 -14.951 -6.318 -2.138 43 H ILE 8 H ILE 8 -5.807 -5.636 0.318 44 HA ILE 8 HA ILE 8 -5.196 -7.957 1.966 45 HB ILE 8 HB ILE 8 -3.203 -8.504 0.440 46 1HG1 ILE 8 2HG1 ILE 8 -4.993 -7.163 -1.596 47 2HG1 ILE 8 1HG1 ILE 8 -3.454 -6.530 -1.026 48 1HG2 ILE 8 1HG2 ILE 8 -4.462 -10.324 0.296 49 2HG2 ILE 8 2HG2 ILE 8 -5.129 -9.643 -1.189 50 3HG2 ILE 8 3HG2 ILE 8 -5.953 -9.384 0.348 51 1HD1 ILE 8 1HD1 ILE 8 -3.493 -9.260 -2.184 52 2HD1 ILE 8 2HD1 ILE 8 -2.238 -8.021 -2.238 53 3HD1 ILE 8 3HD1 ILE 8 -3.659 -7.883 -3.274 54 HA PRO 9 HA PRO 9 -2.354 -5.034 3.702 55 1HB PRO 9 2HB PRO 9 -0.887 -7.306 4.823 56 2HB PRO 9 1HB PRO 9 -1.805 -6.050 5.656 57 1HG PRO 9 2HG PRO 9 -2.652 -8.613 5.521 58 2HG PRO 9 1HG PRO 9 -3.772 -7.239 5.565 59 1HD PRO 9 2HD PRO 9 -2.881 -8.887 3.228 60 2HD PRO 9 1HD PRO 9 -4.496 -8.253 3.612 61 H CYS 10 H CYS 10 -0.375 -4.193 3.223 62 HA CYS 10 HA CYS 10 0.971 -4.913 0.898 63 1HB CYS 10 2HB CYS 10 2.260 -3.438 3.194 64 2HB CYS 10 1HB CYS 10 2.551 -3.233 1.469 65 H THR 11 H THR 11 2.590 -6.326 0.445 66 HA THR 11 HA THR 11 3.682 -7.810 2.748 67 HB THR 11 HB THR 11 3.461 -8.783 -0.102 68 HG1 THR 11 HG1 THR 11 1.445 -8.376 1.285 69 1HG2 THR 11 1HG2 THR 11 3.541 -10.826 1.910 70 2HG2 THR 11 2HG2 THR 11 4.923 -9.749 2.109 71 3HG2 THR 11 3HG2 THR 11 4.646 -10.551 0.564 72 H VAL 12 H VAL 12 4.744 -7.339 -0.643 73 HA VAL 12 HA VAL 12 7.492 -7.568 -0.029 74 HB VAL 12 HB VAL 12 6.445 -5.983 -2.366 75 1HG1 VAL 12 1HG1 VAL 12 8.502 -6.145 -3.201 76 2HG1 VAL 12 2HG1 VAL 12 8.626 -7.859 -2.798 77 3HG1 VAL 12 3HG1 VAL 12 8.993 -6.637 -1.580 78 1HG2 VAL 12 1HG2 VAL 12 5.477 -7.733 -3.320 79 2HG2 VAL 12 2HG2 VAL 12 5.610 -8.569 -1.772 80 3HG2 VAL 12 3HG2 VAL 12 6.870 -8.765 -2.991 81 H THR 13 H THR 13 5.504 -4.791 -0.777 82 HA THR 13 HA THR 13 7.446 -2.820 -0.317 83 HB THR 13 HB THR 13 5.522 -1.265 -0.346 84 HG1 THR 13 HG1 THR 13 3.912 -3.598 -0.686 85 1HG2 THR 13 1HG2 THR 13 5.987 -1.506 -2.532 86 2HG2 THR 13 2HG2 THR 13 4.575 -2.562 -2.586 87 3HG2 THR 13 3HG2 THR 13 6.185 -3.253 -2.381 88 H ALA 14 H ALA 14 5.832 -4.788 1.888 89 HA ALA 14 HA ALA 14 5.524 -2.935 4.033 90 1HB ALA 14 1HB ALA 14 4.790 -4.694 5.283 91 2HB ALA 14 2HB ALA 14 5.994 -5.804 4.630 92 3HB ALA 14 3HB ALA 14 4.567 -5.394 3.680 93 H LEU 15 H LEU 15 8.096 -4.878 2.737 94 HA LEU 15 HA LEU 15 9.864 -4.647 4.973 95 1HB LEU 15 2HB LEU 15 10.487 -5.186 2.064 96 2HB LEU 15 1HB LEU 15 11.592 -5.419 3.404 97 HG LEU 15 HG LEU 15 9.025 -6.950 2.972 98 1HD1 LEU 15 1HD1 LEU 15 10.621 -8.853 2.607 99 2HD1 LEU 15 2HD1 LEU 15 11.911 -7.656 2.500 100 3HD1 LEU 15 3HD1 LEU 15 10.592 -7.638 1.329 101 1HD2 LEU 15 1HD2 LEU 15 9.468 -6.787 5.316 102 2HD2 LEU 15 2HD2 LEU 15 11.173 -7.164 5.075 103 3HD2 LEU 15 3HD2 LEU 15 9.948 -8.398 4.785 104 H LEU 16 H LEU 16 8.912 -2.732 2.336 105 HA LEU 16 HA LEU 16 11.152 -0.912 2.402 106 1HB LEU 16 2HB LEU 16 8.487 -0.847 0.993 107 2HB LEU 16 1HB LEU 16 9.638 0.464 0.895 108 HG LEU 16 HG LEU 16 9.694 -0.997 -1.078 109 1HD1 LEU 16 1HD1 LEU 16 11.725 -0.066 -1.086 110 2HD1 LEU 16 2HD1 LEU 16 12.287 -1.658 -0.575 111 3HD1 LEU 16 3HD1 LEU 16 11.989 -0.401 0.626 112 1HD2 LEU 16 1HD2 LEU 16 10.863 -3.142 0.661 113 2HD2 LEU 16 2HD2 LEU 16 10.426 -3.232 -1.046 114 3HD2 LEU 16 3HD2 LEU 16 9.166 -3.112 0.183 115 H GLY 17 H GLY 17 8.174 -1.343 4.006 116 1HA GLY 17 2HA GLY 17 7.695 -0.221 6.051 117 2HA GLY 17 1HA GLY 17 8.586 1.173 5.459 118 H CYS 18 H CYS 18 6.625 -0.064 3.024 119 HA CYS 18 HA CYS 18 4.944 2.218 3.073 120 1HB CYS 18 2HB CYS 18 5.183 -0.168 1.344 121 2HB CYS 18 1HB CYS 18 3.642 0.676 1.331 122 H SER 19 H SER 19 3.277 2.591 4.230 123 HA SER 19 HA SER 19 1.898 0.389 5.567 124 1HB SER 19 2HB SER 19 1.713 3.373 6.046 125 2HB SER 19 1HB SER 19 1.004 2.109 7.053 126 HG SER 19 HG SER 19 3.776 2.155 6.518 127 H CYS 20 H CYS 20 -0.381 0.238 5.547 128 HA CYS 20 HA CYS 20 -1.559 0.804 3.021 129 1HB CYS 20 2HB CYS 20 -2.167 -1.200 4.281 130 2HB CYS 20 1HB CYS 20 -2.797 -0.208 5.591 131 H SER 21 H SER 21 -2.455 2.640 2.400 132 HA SER 21 HA SER 21 -4.040 4.225 4.247 133 1HB SER 21 2HB SER 21 -1.679 5.410 2.753 134 2HB SER 21 1HB SER 21 -2.842 6.313 3.724 135 HG SER 21 HG SER 21 -1.866 4.315 5.197 136 H ASN 22 H ASN 22 -5.828 4.863 3.203 137 HA ASN 22 HA ASN 22 -7.351 5.197 1.548 138 1HB ASN 22 2HB ASN 22 -4.877 6.317 0.242 139 2HB ASN 22 1HB ASN 22 -6.442 6.331 -0.562 140 1HD2 ASN 22 1HD2 ASN 22 -7.346 8.244 -0.433 141 2HD2 ASN 22 2HD2 ASN 22 -7.317 9.298 0.936 142 H ARG 23 H ARG 23 -6.178 2.636 1.759 143 HA ARG 23 HA ARG 23 -6.291 0.611 0.773 144 1HB ARG 23 2HB ARG 23 -7.758 2.249 -1.242 145 2HB ARG 23 1HB ARG 23 -7.298 0.607 -1.658 146 1HG ARG 23 2HG ARG 23 -9.530 0.572 -0.830 147 2HG ARG 23 1HG ARG 23 -8.489 -0.179 0.376 148 1HD ARG 23 2HD ARG 23 -8.472 1.923 1.647 149 2HD ARG 23 1HD ARG 23 -9.548 2.642 0.449 150 HE ARG 23 HE ARG 23 -10.278 0.914 2.591 151 1HH1 ARG 23 1HH1 ARG 23 -11.149 1.842 -0.672 152 2HH1 ARG 23 2HH1 ARG 23 -12.781 1.278 -0.536 153 1HH2 ARG 23 1HH2 ARG 23 -12.431 0.161 2.774 154 2HH2 ARG 23 2HH2 ARG 23 -13.512 0.319 1.430 155 H VAL 24 H VAL 24 -4.031 2.647 0.193 156 HA VAL 24 HA VAL 24 -2.711 0.891 -1.740 157 HB VAL 24 HB VAL 24 -3.454 2.915 -2.985 158 1HG1 VAL 24 1HG1 VAL 24 -1.557 4.814 -2.143 159 2HG1 VAL 24 2HG1 VAL 24 -2.429 4.279 -0.707 160 3HG1 VAL 24 3HG1 VAL 24 -3.315 4.927 -2.087 161 1HG2 VAL 24 1HG2 VAL 24 -1.724 2.345 -4.247 162 2HG2 VAL 24 2HG2 VAL 24 -0.790 1.844 -2.837 163 3HG2 VAL 24 3HG2 VAL 24 -0.761 3.528 -3.361 164 H CYS 25 H CYS 25 -0.524 0.595 -1.376 165 HA CYS 25 HA CYS 25 0.341 1.174 1.303 166 1HB CYS 25 2HB CYS 25 1.868 -0.116 -0.971 167 2HB CYS 25 1HB CYS 25 2.269 -0.195 0.741 168 H TYR 26 H TYR 26 1.279 3.020 1.888 169 HA TYR 26 HA TYR 26 2.950 4.431 -0.091 170 1HB TYR 26 2HB TYR 26 0.570 5.357 0.367 171 2HB TYR 26 1HB TYR 26 1.251 5.917 1.885 172 HD1 TYR 26 HD1 TYR 26 2.392 7.963 1.961 173 HD2 TYR 26 HD2 TYR 26 1.732 6.075 -1.791 174 HE1 TYR 26 HE1 TYR 26 3.236 9.966 0.809 175 HE2 TYR 26 HE2 TYR 26 2.573 8.064 -2.953 176 HH TYR 26 HH TYR 26 4.375 10.366 -1.578 177 H ASN 27 H ASN 27 4.698 5.486 0.646 178 HA ASN 27 HA ASN 27 5.264 5.894 3.428 179 1HB ASN 27 2HB ASN 27 5.816 3.569 3.433 180 2HB ASN 27 1HB ASN 27 6.716 3.703 1.931 181 1HD2 ASN 27 1HD2 ASN 27 8.707 3.195 2.447 182 2HD2 ASN 27 2HD2 ASN 27 9.624 3.866 3.738 183 H GLY 28 H GLY 28 5.207 7.931 2.213 184 1HA GLY 28 2HA GLY 28 6.494 9.798 1.630 185 2HA GLY 28 1HA GLY 28 7.897 8.742 1.452 186 H ILE 29 H ILE 29 7.184 6.896 -0.236 187 HA ILE 29 HA ILE 29 6.284 8.276 -2.673 188 HB ILE 29 HB ILE 29 7.769 7.040 -4.026 189 1HG1 ILE 29 2HG1 ILE 29 7.484 4.860 -2.791 190 2HG1 ILE 29 1HG1 ILE 29 9.111 5.177 -3.372 191 1HG2 ILE 29 1HG2 ILE 29 9.291 8.550 -3.467 192 2HG2 ILE 29 2HG2 ILE 29 10.004 7.312 -2.433 193 3HG2 ILE 29 3HG2 ILE 29 8.857 8.470 -1.759 194 1HD1 ILE 29 1HD1 ILE 29 8.387 5.891 -0.572 195 2HD1 ILE 29 2HD1 ILE 29 9.954 5.453 -1.256 196 3HD1 ILE 29 3HD1 ILE 29 8.726 4.213 -0.996 197 HA PRO 30 HA PRO 30 3.224 5.147 -2.837 198 1HB PRO 30 2HB PRO 30 2.724 4.989 -5.481 199 2HB PRO 30 1HB PRO 30 2.276 6.400 -4.523 200 1HG PRO 30 2HG PRO 30 4.581 6.013 -6.375 201 2HG PRO 30 1HG PRO 30 3.580 7.452 -6.111 202 1HD PRO 30 2HD PRO 30 6.082 7.067 -5.025 203 2HD PRO 30 1HD PRO 30 4.851 8.151 -4.352
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