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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 | cing | stage | position | program | type |
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11585 |
1rqs ![]() ![]() |
cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 47 H ALA 47 -0.773 -29.324 1.133 2 HA ALA 47 HA ALA 47 -3.351 -29.226 -0.122 3 1HB ALA 47 1HB ALA 47 -3.118 -27.567 1.478 4 2HB ALA 47 2HB ALA 47 -1.384 -27.341 1.146 5 3HB ALA 47 3HB ALA 47 -2.598 -26.678 0.027 6 H ALA 48 H ALA 48 -3.580 -27.618 -2.037 7 HA ALA 48 HA ALA 48 -1.267 -27.626 -3.786 8 1HB ALA 48 1HB ALA 48 -3.802 -29.205 -4.248 9 2HB ALA 48 2HB ALA 48 -2.883 -28.549 -5.624 10 3HB ALA 48 3HB ALA 48 -2.110 -29.694 -4.502 11 H GLU 49 H GLU 49 -1.751 -25.333 -2.856 12 HA GLU 49 HA GLU 49 -3.622 -24.100 -4.720 13 1HB GLU 49 1HB GLU 49 -3.226 -23.546 -1.763 14 2HB GLU 49 2HB GLU 49 -3.876 -22.313 -2.825 15 1HG GLU 49 1HG GLU 49 -5.909 -23.271 -2.467 16 2HG GLU 49 2HG GLU 49 -5.377 -24.550 -3.541 17 H GLU 50 H GLU 50 -2.755 -22.463 -5.959 18 HA GLU 50 HA GLU 50 0.008 -21.831 -5.396 19 1HB GLU 50 1HB GLU 50 -1.746 -21.844 -7.813 20 2HB GLU 50 2HB GLU 50 -0.530 -20.582 -7.774 21 1HG GLU 50 1HG GLU 50 0.633 -22.361 -8.789 22 2HG GLU 50 2HG GLU 50 1.140 -22.496 -7.117 23 H LYS 51 H LYS 51 0.592 -19.936 -4.427 24 HA LYS 51 HA LYS 51 -1.485 -18.006 -3.912 25 1HB LYS 51 1HB LYS 51 1.128 -18.738 -2.777 26 2HB LYS 51 2HB LYS 51 0.851 -17.008 -2.832 27 1HG LYS 51 1HG LYS 51 -1.457 -17.459 -1.782 28 2HG LYS 51 2HG LYS 51 -0.935 -19.113 -1.532 29 1HD LYS 51 1HD LYS 51 0.534 -18.548 0.159 30 2HD LYS 51 2HD LYS 51 0.991 -17.033 -0.593 31 1HE LYS 51 1HE LYS 51 -1.727 -17.487 0.725 32 2HE LYS 51 2HE LYS 51 -0.350 -16.814 1.576 33 1HZ LYS 51 1HZ LYS 51 -0.614 -15.434 -0.803 34 2HZ LYS 51 2HZ LYS 51 -2.105 -15.517 -0.141 35 3HZ LYS 51 3HZ LYS 51 -0.867 -14.876 0.710 36 H THR 52 H THR 52 -1.945 -17.156 -6.004 37 HA THR 52 HA THR 52 0.230 -15.454 -7.035 38 HB THR 52 HB THR 52 -0.595 -15.894 -9.245 39 HG1 THR 52 1HG THR 52 -2.840 -17.124 -7.806 40 1HG2 THR 52 1HG2 THR 52 -1.240 -18.503 -7.785 41 2HG2 THR 52 2HG2 THR 52 -0.705 -18.312 -9.472 42 3HG2 THR 52 3HG2 THR 52 0.426 -17.986 -8.137 43 H GLU 53 H GLU 53 -1.850 -15.020 -4.841 44 HA GLU 53 HA GLU 53 -2.770 -12.523 -5.984 45 1HB GLU 53 1HB GLU 53 -4.501 -14.682 -4.785 46 2HB GLU 53 2HB GLU 53 -4.947 -13.010 -4.509 47 1HG GLU 53 1HG GLU 53 -4.922 -12.590 -6.974 48 2HG GLU 53 2HG GLU 53 -4.458 -14.257 -7.257 49 H PHE 54 H PHE 54 -1.464 -11.178 -4.767 50 HA PHE 54 HA PHE 54 -1.452 -11.662 -1.875 51 1HB PHE 54 1HB PHE 54 0.405 -10.113 -3.779 52 2HB PHE 54 2HB PHE 54 0.658 -10.215 -2.048 53 HD1 PHE 54 1HD PHE 54 0.645 -12.157 -5.182 54 HD2 PHE 54 2HD PHE 54 1.653 -12.141 -1.059 55 HE1 PHE 54 1HE PHE 54 1.979 -14.260 -5.501 56 HE2 PHE 54 2HE PHE 54 2.986 -14.245 -1.378 57 HZ PHE 54 HZ PHE 54 3.133 -15.278 -3.595 58 H ASP 55 H ASP 55 -1.802 -9.896 -0.428 59 HA ASP 55 HA ASP 55 -3.107 -7.652 -1.748 60 1HB ASP 55 1HB ASP 55 -3.446 -8.841 1.043 61 2HB ASP 55 2HB ASP 55 -4.186 -7.327 0.558 62 H VAL 56 H VAL 56 -2.519 -5.491 -1.034 63 HA VAL 56 HA VAL 56 -0.124 -5.429 0.671 64 HB VAL 56 HB VAL 56 -0.927 -3.682 -1.664 65 1HG1 VAL 56 1HG1 VAL 56 1.696 -3.070 -1.024 66 2HG1 VAL 56 2HG1 VAL 56 0.267 -2.080 -0.645 67 3HG1 VAL 56 3HG1 VAL 56 0.913 -3.210 0.568 68 1HG2 VAL 56 1HG2 VAL 56 0.020 -6.021 -2.098 69 2HG2 VAL 56 2HG2 VAL 56 0.858 -4.652 -2.868 70 3HG2 VAL 56 3HG2 VAL 56 1.544 -5.409 -1.411 71 H ILE 57 H ILE 57 -0.631 -4.703 2.670 72 HA ILE 57 HA ILE 57 -2.767 -2.699 2.843 73 HB ILE 57 HB ILE 57 -1.805 -4.835 4.724 74 1HG1 ILE 57 1HG1 ILE 57 -4.679 -4.291 4.225 75 2HG1 ILE 57 2HG1 ILE 57 -3.767 -4.886 2.851 76 1HG2 ILE 57 1HG2 ILE 57 -3.324 -3.871 6.433 77 2HG2 ILE 57 2HG2 ILE 57 -1.910 -2.849 6.083 78 3HG2 ILE 57 3HG2 ILE 57 -3.503 -2.424 5.413 79 1HD1 ILE 57 1HD1 ILE 57 -3.933 -6.198 5.604 80 2HD1 ILE 57 2HD1 ILE 57 -4.684 -6.785 4.101 81 3HD1 ILE 57 3HD1 ILE 57 -2.912 -6.782 4.267 82 H LEU 58 H LEU 58 -2.439 -0.815 4.144 83 HA LEU 58 HA LEU 58 0.407 -0.247 4.571 84 1HB LEU 58 1HB LEU 58 -0.527 1.212 2.955 85 2HB LEU 58 2HB LEU 58 -1.950 1.513 3.930 86 HG LEU 58 HG LEU 58 -0.453 2.639 5.626 87 1HD1 LEU 58 1HD1 LEU 58 1.577 1.897 3.583 88 2HD1 LEU 58 2HD1 LEU 58 1.722 3.507 4.330 89 3HD1 LEU 58 3HD1 LEU 58 1.719 2.049 5.351 90 1HD2 LEU 58 1HD2 LEU 58 -0.611 3.814 2.837 91 2HD2 LEU 58 2HD2 LEU 58 -1.834 3.937 4.124 92 3HD2 LEU 58 3HD2 LEU 58 -0.252 4.729 4.321 93 H LYS 59 H LYS 59 1.099 -0.329 6.633 94 HA LYS 59 HA LYS 59 -0.929 -0.327 8.715 95 1HB LYS 59 1HB LYS 59 1.923 -1.256 8.510 96 2HB LYS 59 2HB LYS 59 1.217 -0.955 10.085 97 1HG LYS 59 1HG LYS 59 -0.794 -2.424 9.187 98 2HG LYS 59 2HG LYS 59 0.361 -2.975 7.990 99 1HD LYS 59 1HD LYS 59 1.691 -4.077 9.560 100 2HD LYS 59 2HD LYS 59 1.275 -2.972 10.856 101 1HE LYS 59 1HE LYS 59 0.192 -5.071 11.366 102 2HE LYS 59 2HE LYS 59 -1.072 -3.968 10.860 103 1HZ LYS 59 1HZ LYS 59 -1.262 -6.096 9.781 104 2HZ LYS 59 2HZ LYS 59 -0.969 -4.937 8.669 105 3HZ LYS 59 3HZ LYS 59 0.226 -5.952 9.123 106 H ALA 60 H ALA 60 2.250 1.277 7.987 107 HA ALA 60 HA ALA 60 1.222 3.628 9.393 108 1HB ALA 60 1HB ALA 60 3.072 1.847 10.507 109 2HB ALA 60 2HB ALA 60 4.073 3.169 9.860 110 3HB ALA 60 3HB ALA 60 2.774 3.524 11.023 111 H ALA 61 H ALA 61 1.491 5.446 8.186 112 HA ALA 61 HA ALA 61 2.724 5.295 5.657 113 1HB ALA 61 1HB ALA 61 2.167 7.885 7.096 114 2HB ALA 61 2HB ALA 61 1.918 7.465 5.384 115 3HB ALA 61 3HB ALA 61 0.813 6.828 6.627 116 H GLY 62 H GLY 62 3.844 6.074 8.918 117 1HA GLY 62 1HA GLY 62 5.985 6.293 9.648 118 2HA GLY 62 2HA GLY 62 6.570 6.194 8.000 119 H ALA 63 H ALA 63 8.052 7.983 8.639 120 HA ALA 63 HA ALA 63 6.758 10.534 9.143 121 1HB ALA 63 1HB ALA 63 9.107 11.295 9.482 122 2HB ALA 63 2HB ALA 63 8.690 9.899 10.503 123 3HB ALA 63 3HB ALA 63 9.676 9.668 9.039 124 H ASN 64 H ASN 64 6.151 9.346 6.605 125 HA ASN 64 HA ASN 64 7.181 11.450 4.959 126 1HB ASN 64 1HB ASN 64 8.651 9.194 4.817 127 2HB ASN 64 2HB ASN 64 7.344 8.664 3.777 128 1HD2 ASN 64 1HD2 ASN 64 10.149 9.247 3.193 129 2HD2 ASN 64 2HD2 ASN 64 10.186 10.459 1.956 130 H LYS 65 H LYS 65 4.649 11.469 5.763 131 HA LYS 65 HA LYS 65 2.872 9.702 4.514 132 1HB LYS 65 1HB LYS 65 2.671 11.518 6.494 133 2HB LYS 65 2HB LYS 65 1.977 12.461 5.191 134 1HG LYS 65 1HG LYS 65 0.433 10.518 4.672 135 2HG LYS 65 2HG LYS 65 1.077 9.675 6.066 136 1HD LYS 65 1HD LYS 65 0.003 12.482 6.424 137 2HD LYS 65 2HD LYS 65 -1.132 11.156 6.273 138 1HE LYS 65 1HE LYS 65 -0.482 10.171 8.292 139 2HE LYS 65 2HE LYS 65 1.158 10.779 8.190 140 1HZ LYS 65 1HZ LYS 65 -1.245 12.310 8.889 141 2HZ LYS 65 2HZ LYS 65 0.044 11.993 9.840 142 3HZ LYS 65 3HZ LYS 65 0.195 13.014 8.575 143 H VAL 66 H VAL 66 4.603 12.579 3.414 144 HA VAL 66 HA VAL 66 2.850 13.294 1.346 145 HB VAL 66 HB VAL 66 5.837 13.700 1.600 146 1HG1 VAL 66 1HG1 VAL 66 4.007 15.624 0.211 147 2HG1 VAL 66 2HG1 VAL 66 5.733 15.285 -0.065 148 3HG1 VAL 66 3HG1 VAL 66 4.497 14.141 -0.644 149 1HG2 VAL 66 1HG2 VAL 66 4.796 16.059 2.364 150 2HG2 VAL 66 2HG2 VAL 66 3.500 14.979 2.931 151 3HG2 VAL 66 3HG2 VAL 66 5.167 14.747 3.508 152 H ALA 67 H ALA 67 5.704 11.089 1.514 153 HA ALA 67 HA ALA 67 5.660 10.529 -1.265 154 1HB ALA 67 1HB ALA 67 7.253 8.724 -0.593 155 2HB ALA 67 2HB ALA 67 7.691 10.316 0.072 156 3HB ALA 67 3HB ALA 67 6.914 9.100 1.113 157 H VAL 68 H VAL 68 4.222 9.060 1.682 158 HA VAL 68 HA VAL 68 3.397 6.673 0.513 159 HB VAL 68 HB VAL 68 2.295 8.314 2.798 160 1HG1 VAL 68 1HG1 VAL 68 1.151 6.252 3.533 161 2HG1 VAL 68 2HG1 VAL 68 0.536 6.838 1.968 162 3HG1 VAL 68 3HG1 VAL 68 1.649 5.449 2.023 163 1HG2 VAL 68 1HG2 VAL 68 4.678 6.864 2.539 164 2HG2 VAL 68 2HG2 VAL 68 3.936 7.453 4.046 165 3HG2 VAL 68 3HG2 VAL 68 3.594 5.803 3.471 166 H ILE 69 H ILE 69 1.521 9.740 1.078 167 HA ILE 69 HA ILE 69 -0.805 8.922 -0.107 168 HB ILE 69 HB ILE 69 0.502 11.615 0.174 169 1HG1 ILE 69 1HG1 ILE 69 -2.002 10.656 1.538 170 2HG1 ILE 69 2HG1 ILE 69 -0.432 10.147 2.128 171 1HG2 ILE 69 1HG2 ILE 69 -1.932 12.430 -0.302 172 2HG2 ILE 69 2HG2 ILE 69 -0.821 12.102 -1.653 173 3HG2 ILE 69 3HG2 ILE 69 -2.064 10.906 -1.212 174 1HD1 ILE 69 1HD1 ILE 69 -1.008 13.081 1.590 175 2HD1 ILE 69 2HD1 ILE 69 -1.460 12.316 3.132 176 3HD1 ILE 69 3HD1 ILE 69 0.248 12.370 2.631 177 H LYS 70 H LYS 70 2.229 10.083 -1.602 178 HA LYS 70 HA LYS 70 1.168 10.395 -4.187 179 1HB LYS 70 1HB LYS 70 3.922 10.129 -3.013 180 2HB LYS 70 2HB LYS 70 3.712 10.055 -4.750 181 1HG LYS 70 1HG LYS 70 2.534 12.247 -4.722 182 2HG LYS 70 2HG LYS 70 2.670 12.316 -2.977 183 1HD LYS 70 1HD LYS 70 4.783 13.136 -3.102 184 2HD LYS 70 2HD LYS 70 5.296 11.812 -4.130 185 1HE LYS 70 1HE LYS 70 4.532 12.969 -6.139 186 2HE LYS 70 2HE LYS 70 3.731 14.207 -5.192 187 1HZ LYS 70 1HZ LYS 70 6.360 14.159 -6.030 188 2HZ LYS 70 2HZ LYS 70 5.618 15.305 -5.135 189 3HZ LYS 70 3HZ LYS 70 6.392 14.069 -4.400 190 H ALA 71 H ALA 71 3.002 7.683 -2.614 191 HA ALA 71 HA ALA 71 2.971 5.968 -4.770 192 1HB ALA 71 1HB ALA 71 2.703 5.160 -1.853 193 2HB ALA 71 2HB ALA 71 3.506 4.268 -3.168 194 3HB ALA 71 3HB ALA 71 4.215 5.781 -2.555 195 H VAL 72 H VAL 72 0.480 6.606 -2.248 196 HA VAL 72 HA VAL 72 -1.205 4.490 -2.903 197 HB VAL 72 HB VAL 72 -1.753 7.226 -1.738 198 1HG1 VAL 72 1HG1 VAL 72 -3.866 6.502 -2.479 199 2HG1 VAL 72 2HG1 VAL 72 -3.536 4.806 -2.050 200 3HG1 VAL 72 3HG1 VAL 72 -3.802 6.012 -0.768 201 1HG2 VAL 72 1HG2 VAL 72 -1.987 5.075 0.138 202 2HG2 VAL 72 2HG2 VAL 72 -0.427 4.923 -0.706 203 3HG2 VAL 72 3HG2 VAL 72 -0.840 6.436 0.136 204 H ARG 73 H ARG 73 -1.696 7.993 -3.759 205 HA ARG 73 HA ARG 73 -3.692 7.629 -5.498 206 1HB ARG 73 1HB ARG 73 -2.759 9.843 -4.768 207 2HB ARG 73 2HB ARG 73 -1.369 9.600 -5.808 208 1HG ARG 73 1HG ARG 73 -2.954 9.437 -7.789 209 2HG ARG 73 2HG ARG 73 -4.278 9.836 -6.712 210 1HD ARG 73 1HD ARG 73 -2.750 11.921 -6.065 211 2HD ARG 73 2HD ARG 73 -1.966 11.584 -7.596 212 HE ARG 73 HE ARG 73 -3.877 12.341 -8.726 213 1HH1 ARG 73 2HH2 ARG 73 -4.710 11.677 -5.373 214 2HH1 ARG 73 1HH2 ARG 73 -6.269 12.426 -5.478 215 1HH2 ARG 73 2HH1 ARG 73 -5.917 13.366 -8.854 216 2HH2 ARG 73 1HH1 ARG 73 -6.962 13.388 -7.473 217 H GLY 74 H GLY 74 -0.215 7.007 -5.984 218 1HA GLY 74 1HA GLY 74 -0.291 6.909 -8.833 219 2HA GLY 74 2HA GLY 74 0.991 6.351 -7.777 220 H ALA 75 H ALA 75 -0.784 4.565 -6.162 221 HA ALA 75 HA ALA 75 -0.590 2.331 -7.987 222 1HB ALA 75 1HB ALA 75 -0.696 0.992 -6.012 223 2HB ALA 75 2HB ALA 75 0.301 2.405 -5.589 224 3HB ALA 75 3HB ALA 75 -1.397 2.323 -5.060 225 H THR 76 H THR 76 -2.998 4.495 -6.632 226 HA THR 76 HA THR 76 -5.104 2.723 -7.688 227 HB THR 76 HB THR 76 -6.522 3.571 -5.830 228 HG1 THR 76 1HG THR 76 -4.039 4.810 -4.917 229 1HG2 THR 76 1HG2 THR 76 -4.987 1.614 -5.300 230 2HG2 THR 76 2HG2 THR 76 -3.772 2.784 -4.733 231 3HG2 THR 76 3HG2 THR 76 -5.331 2.640 -3.888 232 H GLY 77 H GLY 77 -4.979 6.148 -6.531 233 1HA GLY 77 1HA GLY 77 -4.933 7.916 -8.209 234 2HA GLY 77 2HA GLY 77 -5.974 6.923 -9.209 235 H LEU 78 H LEU 78 -6.496 6.853 -5.722 236 HA LEU 78 HA LEU 78 -9.145 7.793 -6.046 237 1HB LEU 78 1HB LEU 78 -7.430 7.076 -3.678 238 2HB LEU 78 2HB LEU 78 -9.050 7.716 -3.485 239 HG LEU 78 HG LEU 78 -8.386 5.208 -5.048 240 1HD1 LEU 78 1HD1 LEU 78 -8.931 3.897 -3.202 241 2HD1 LEU 78 2HD1 LEU 78 -7.930 5.197 -2.510 242 3HD1 LEU 78 3HD1 LEU 78 -9.701 5.250 -2.340 243 1HD2 LEU 78 1HD2 LEU 78 -10.922 6.671 -4.438 244 2HD2 LEU 78 2HD2 LEU 78 -10.404 5.841 -5.924 245 3HD2 LEU 78 3HD2 LEU 78 -10.950 4.893 -4.521 246 H GLY 79 H GLY 79 -10.108 9.709 -5.054 247 1HA GLY 79 1HA GLY 79 -8.859 12.081 -5.705 248 2HA GLY 79 2HA GLY 79 -10.199 11.906 -4.587 249 H LEU 80 H LEU 80 -7.717 13.679 -4.547 250 HA LEU 80 HA LEU 80 -5.775 12.942 -2.846 251 1HB LEU 80 1HB LEU 80 -6.346 15.190 -4.034 252 2HB LEU 80 2HB LEU 80 -7.104 15.608 -2.510 253 HG LEU 80 HG LEU 80 -4.312 14.570 -2.386 254 1HD1 LEU 80 1HD1 LEU 80 -4.884 17.407 -3.275 255 2HD1 LEU 80 2HD1 LEU 80 -3.296 16.650 -3.006 256 3HD1 LEU 80 3HD1 LEU 80 -4.325 16.106 -4.353 257 1HD2 LEU 80 1HD2 LEU 80 -4.145 15.861 -0.468 258 2HD2 LEU 80 2HD2 LEU 80 -5.422 16.987 -0.985 259 3HD2 LEU 80 3HD2 LEU 80 -5.848 15.345 -0.444 260 H LYS 81 H LYS 81 -9.098 14.039 -1.925 261 HA LYS 81 HA LYS 81 -8.667 13.958 0.824 262 1HB LYS 81 1HB LYS 81 -10.550 15.100 -0.302 263 2HB LYS 81 2HB LYS 81 -11.239 13.547 -0.730 264 1HG LYS 81 1HG LYS 81 -11.240 12.972 1.772 265 2HG LYS 81 2HG LYS 81 -10.793 14.637 2.085 266 1HD LYS 81 1HD LYS 81 -13.017 15.106 2.078 267 2HD LYS 81 2HD LYS 81 -12.956 14.914 0.337 268 1HE LYS 81 1HE LYS 81 -14.720 13.464 1.119 269 2HE LYS 81 2HE LYS 81 -13.386 12.419 0.672 270 1HZ LYS 81 1HZ LYS 81 -13.158 13.238 3.354 271 2HZ LYS 81 2HZ LYS 81 -14.612 12.541 3.098 272 3HZ LYS 81 3HZ LYS 81 -13.242 11.725 2.744 273 H GLU 82 H GLU 82 -10.453 11.518 -1.201 274 HA GLU 82 HA GLU 82 -10.817 9.646 0.638 275 1HB GLU 82 1HB GLU 82 -9.996 9.282 -2.271 276 2HB GLU 82 2HB GLU 82 -10.556 7.955 -1.274 277 1HG GLU 82 1HG GLU 82 -12.637 8.554 -2.006 278 2HG GLU 82 2HG GLU 82 -12.533 9.806 -0.785 279 H ALA 83 H ALA 83 -7.765 10.167 -1.233 280 HA ALA 83 HA ALA 83 -6.430 7.922 -0.238 281 1HB ALA 83 1HB ALA 83 -5.917 9.514 -2.238 282 2HB ALA 83 2HB ALA 83 -5.072 10.506 -1.027 283 3HB ALA 83 3HB ALA 83 -4.552 8.830 -1.322 284 H LYS 84 H LYS 84 -6.570 11.365 0.870 285 HA LYS 84 HA LYS 84 -4.706 11.141 2.901 286 1HB LYS 84 1HB LYS 84 -5.602 13.261 2.027 287 2HB LYS 84 2HB LYS 84 -7.164 12.911 2.739 288 1HG LYS 84 1HG LYS 84 -6.192 14.258 4.397 289 2HG LYS 84 2HG LYS 84 -5.817 12.654 4.994 290 1HD LYS 84 1HD LYS 84 -3.672 13.462 5.099 291 2HD LYS 84 2HD LYS 84 -3.636 13.054 3.395 292 1HE LYS 84 1HE LYS 84 -2.877 15.306 3.454 293 2HE LYS 84 2HE LYS 84 -4.552 15.445 2.958 294 1HZ LYS 84 1HZ LYS 84 -4.681 15.489 5.648 295 2HZ LYS 84 2HZ LYS 84 -3.318 16.339 5.348 296 3HZ LYS 84 3HZ LYS 84 -4.734 16.800 4.676 297 H ASP 85 H ASP 85 -8.314 10.746 3.048 298 HA ASP 85 HA ASP 85 -8.449 10.212 5.711 299 1HB ASP 85 1HB ASP 85 -10.101 9.111 3.392 300 2HB ASP 85 2HB ASP 85 -10.553 8.886 5.070 301 H LEU 86 H LEU 86 -8.011 7.976 2.880 302 HA LEU 86 HA LEU 86 -8.180 5.571 4.162 303 1HB LEU 86 1HB LEU 86 -8.054 5.896 1.745 304 2HB LEU 86 2HB LEU 86 -6.373 6.373 1.876 305 HG LEU 86 HG LEU 86 -6.115 3.988 3.005 306 1HD1 LEU 86 1HD1 LEU 86 -8.651 3.668 2.853 307 2HD1 LEU 86 2HD1 LEU 86 -8.387 3.392 1.114 308 3HD1 LEU 86 3HD1 LEU 86 -7.613 2.327 2.311 309 1HD2 LEU 86 1HD2 LEU 86 -6.227 4.709 0.086 310 2HD2 LEU 86 2HD2 LEU 86 -4.815 4.445 1.135 311 3HD2 LEU 86 3HD2 LEU 86 -5.804 3.061 0.611 312 H VAL 87 H VAL 87 -5.141 7.482 3.569 313 HA VAL 87 HA VAL 87 -3.508 5.717 4.967 314 HB VAL 87 HB VAL 87 -3.267 8.650 4.295 315 1HG1 VAL 87 1HG1 VAL 87 -1.235 6.778 5.540 316 2HG1 VAL 87 2HG1 VAL 87 -0.789 8.278 4.693 317 3HG1 VAL 87 3HG1 VAL 87 -1.806 8.348 6.152 318 1HG2 VAL 87 1HG2 VAL 87 -2.143 8.009 2.375 319 2HG2 VAL 87 2HG2 VAL 87 -1.682 6.425 3.042 320 3HG2 VAL 87 3HG2 VAL 87 -3.359 6.717 2.521 321 H GLU 88 H GLU 88 -5.456 8.546 6.012 322 HA GLU 88 HA GLU 88 -4.255 8.631 8.559 323 1HB GLU 88 1HB GLU 88 -6.776 9.873 7.394 324 2HB GLU 88 2HB GLU 88 -6.289 10.144 9.056 325 1HG GLU 88 1HG GLU 88 -4.222 10.570 6.901 326 2HG GLU 88 2HG GLU 88 -5.492 11.768 7.060 327 H SER 89 H SER 89 -6.511 6.511 7.094 328 HA SER 89 HA SER 89 -7.760 5.941 9.658 329 1HB SER 89 1HB SER 89 -8.558 5.220 6.806 330 2HB SER 89 2HB SER 89 -9.381 4.588 8.217 331 HG SER 89 HG SER 89 -10.279 6.609 7.163 332 H ALA 90 H ALA 90 -4.962 5.165 8.620 333 HA ALA 90 HA ALA 90 -4.904 2.473 7.946 334 1HB ALA 90 1HB ALA 90 -2.557 2.606 8.793 335 2HB ALA 90 2HB ALA 90 -2.984 3.962 7.722 336 3HB ALA 90 3HB ALA 90 -2.926 4.204 9.485 337 HA PRO 91 HA PRO 91 -3.633 0.897 8.390 338 1HB PRO 91 1HB PRO 91 -4.193 -1.772 8.556 339 2HB PRO 91 2HB PRO 91 -2.794 -1.038 9.315 340 1HG PRO 91 1HG PRO 91 -5.302 -1.974 10.567 341 2HG PRO 91 2HG PRO 91 -3.757 -1.641 11.321 342 1HD PRO 91 1HD PRO 91 -6.093 0.022 11.388 343 2HD PRO 91 2HD PRO 91 -4.514 0.406 12.043 344 H ALA 92 H ALA 92 -4.145 0.088 6.255 345 HA ALA 92 HA ALA 92 -6.923 -0.479 5.804 346 1HB ALA 92 1HB ALA 92 -6.717 2.071 6.020 347 2HB ALA 92 2HB ALA 92 -5.765 2.014 4.518 348 3HB ALA 92 3HB ALA 92 -7.455 1.456 4.521 349 H ALA 93 H ALA 93 -7.252 -1.452 3.746 350 HA ALA 93 HA ALA 93 -4.860 -2.505 2.582 351 1HB ALA 93 1HB ALA 93 -7.026 -3.757 2.924 352 2HB ALA 93 2HB ALA 93 -7.744 -2.749 1.646 353 3HB ALA 93 3HB ALA 93 -6.386 -3.836 1.266 354 H LEU 94 H LEU 94 -3.942 -2.015 0.577 355 HA LEU 94 HA LEU 94 -5.045 0.392 -0.690 356 1HB LEU 94 1HB LEU 94 -2.303 -0.512 -0.054 357 2HB LEU 94 2HB LEU 94 -2.514 0.236 -1.624 358 HG LEU 94 HG LEU 94 -3.525 2.225 -0.500 359 1HD1 LEU 94 1HD1 LEU 94 -2.814 0.674 1.993 360 2HD1 LEU 94 2HD1 LEU 94 -3.033 2.441 1.984 361 3HD1 LEU 94 3HD1 LEU 94 -4.383 1.374 1.526 362 1HD2 LEU 94 1HD2 LEU 94 -0.701 1.348 0.019 363 2HD2 LEU 94 2HD2 LEU 94 -1.324 2.578 -1.105 364 3HD2 LEU 94 3HD2 LEU 94 -1.285 2.909 0.644 365 H LYS 95 H LYS 95 -3.933 -2.965 -1.099 366 HA LYS 95 HA LYS 95 -5.252 -2.988 -3.681 367 1HB LYS 95 1HB LYS 95 -2.580 -4.276 -3.699 368 2HB LYS 95 2HB LYS 95 -3.458 -3.476 -4.987 369 1HG LYS 95 1HG LYS 95 -2.933 -1.260 -4.025 370 2HG LYS 95 2HG LYS 95 -2.160 -2.008 -2.641 371 1HD LYS 95 1HD LYS 95 -0.400 -1.360 -4.169 372 2HD LYS 95 2HD LYS 95 -0.509 -3.108 -4.225 373 1HE LYS 95 1HE LYS 95 -1.775 -3.036 -6.318 374 2HE LYS 95 2HE LYS 95 -1.947 -1.296 -6.218 375 1HZ LYS 95 1HZ LYS 95 -0.182 -1.753 -7.669 376 2HZ LYS 95 2HZ LYS 95 0.517 -1.203 -6.299 377 3HZ LYS 95 3HZ LYS 95 0.536 -2.799 -6.639 378 H GLU 96 H GLU 96 -5.954 -5.109 -4.302 379 HA GLU 96 HA GLU 96 -5.504 -7.127 -2.262 380 1HB GLU 96 1HB GLU 96 -8.231 -6.344 -3.381 381 2HB GLU 96 2HB GLU 96 -7.938 -7.726 -2.345 382 1HG GLU 96 1HG GLU 96 -6.963 -6.105 -0.616 383 2HG GLU 96 2HG GLU 96 -7.516 -4.788 -1.632 384 H GLY 97 H GLY 97 -4.884 -9.046 -3.171 385 1HA GLY 97 1HA GLY 97 -4.588 -10.679 -4.684 386 2HA GLY 97 2HA GLY 97 -6.119 -10.207 -5.397 387 H VAL 98 H VAL 98 -2.824 -8.678 -5.101 388 HA VAL 98 HA VAL 98 -2.987 -8.152 -7.987 389 HB VAL 98 HB VAL 98 -1.447 -6.290 -7.536 390 1HG1 VAL 98 1HG1 VAL 98 -3.143 -4.848 -7.085 391 2HG1 VAL 98 2HG1 VAL 98 -4.133 -6.319 -7.246 392 3HG1 VAL 98 3HG1 VAL 98 -3.661 -5.735 -5.632 393 1HG2 VAL 98 1HG2 VAL 98 -0.468 -7.314 -5.441 394 2HG2 VAL 98 2HG2 VAL 98 -0.868 -5.582 -5.329 395 3HG2 VAL 98 3HG2 VAL 98 -1.940 -6.794 -4.587 396 H SER 99 H SER 99 -0.868 -8.233 -9.155 397 HA SER 99 HA SER 99 0.322 -10.669 -8.744 398 1HB SER 99 1HB SER 99 1.973 -9.931 -10.432 399 2HB SER 99 2HB SER 99 0.346 -9.484 -10.904 400 HG SER 99 HG SER 99 0.738 -7.324 -10.287 401 H LYS 100 H LYS 100 2.335 -11.329 -7.815 402 HA LYS 100 HA LYS 100 3.091 -10.047 -5.494 403 1HB LYS 100 1HB LYS 100 3.463 -12.455 -6.160 404 2HB LYS 100 2HB LYS 100 4.810 -11.918 -7.143 405 1HG LYS 100 1HG LYS 100 4.715 -10.985 -4.277 406 2HG LYS 100 2HG LYS 100 5.130 -12.663 -4.571 407 1HD LYS 100 1HD LYS 100 6.519 -10.443 -6.113 408 2HD LYS 100 2HD LYS 100 7.053 -10.871 -4.499 409 1HE LYS 100 1HE LYS 100 7.345 -13.255 -5.240 410 2HE LYS 100 2HE LYS 100 6.840 -12.806 -6.857 411 1HZ LYS 100 1HZ LYS 100 8.822 -11.045 -6.122 412 2HZ LYS 100 2HZ LYS 100 9.357 -12.528 -5.691 413 3HZ LYS 100 3HZ LYS 100 8.915 -12.236 -7.236 414 H ASP 101 H ASP 101 4.458 -9.843 -8.826 415 HA ASP 101 HA ASP 101 6.733 -8.497 -8.224 416 1HB ASP 101 1HB ASP 101 4.853 -8.334 -10.612 417 2HB ASP 101 2HB ASP 101 6.353 -7.429 -10.581 418 H ASP 102 H ASP 102 3.353 -7.325 -8.663 419 HA ASP 102 HA ASP 102 4.055 -4.604 -8.643 420 1HB ASP 102 1HB ASP 102 1.478 -6.170 -8.300 421 2HB ASP 102 2HB ASP 102 1.484 -4.439 -8.027 422 H ALA 103 H ALA 103 3.232 -7.105 -6.234 423 HA ALA 103 HA ALA 103 2.503 -5.393 -4.131 424 1HB ALA 103 1HB ALA 103 2.661 -7.378 -2.776 425 2HB ALA 103 2HB ALA 103 2.038 -7.872 -4.369 426 3HB ALA 103 3HB ALA 103 3.744 -8.163 -3.951 427 H GLU 104 H GLU 104 5.628 -7.023 -4.998 428 HA GLU 104 HA GLU 104 6.961 -5.914 -2.796 429 1HB GLU 104 1HB GLU 104 8.956 -6.893 -3.757 430 2HB GLU 104 2HB GLU 104 7.633 -8.010 -4.027 431 1HG GLU 104 1HG GLU 104 7.368 -7.199 -6.349 432 2HG GLU 104 2HG GLU 104 8.593 -5.972 -6.092 433 H ALA 105 H ALA 105 6.170 -4.765 -6.029 434 HA ALA 105 HA ALA 105 8.248 -2.871 -6.266 435 1HB ALA 105 1HB ALA 105 5.472 -2.997 -7.513 436 2HB ALA 105 2HB ALA 105 6.808 -1.960 -8.066 437 3HB ALA 105 3HB ALA 105 6.953 -3.731 -8.174 438 H LEU 106 H LEU 106 4.804 -2.676 -5.144 439 HA LEU 106 HA LEU 106 4.945 0.072 -4.560 440 1HB LEU 106 1HB LEU 106 2.860 -1.039 -5.000 441 2HB LEU 106 2HB LEU 106 3.087 -2.121 -3.640 442 HG LEU 106 HG LEU 106 1.434 -0.309 -3.239 443 1HD1 LEU 106 1HD1 LEU 106 3.103 -1.441 -1.488 444 2HD1 LEU 106 2HD1 LEU 106 3.609 0.253 -1.288 445 3HD1 LEU 106 3HD1 LEU 106 1.909 -0.206 -1.023 446 1HD2 LEU 106 1HD2 LEU 106 2.611 1.443 -4.553 447 2HD2 LEU 106 2HD2 LEU 106 2.118 1.977 -2.928 448 3HD2 LEU 106 3HD2 LEU 106 3.818 1.560 -3.250 449 H LYS 107 H LYS 107 5.433 -2.919 -2.598 450 HA LYS 107 HA LYS 107 5.694 -1.671 -0.141 451 1HB LYS 107 1HB LYS 107 5.396 -4.056 -0.346 452 2HB LYS 107 2HB LYS 107 6.899 -4.229 -1.228 453 1HG LYS 107 1HG LYS 107 8.229 -3.691 0.697 454 2HG LYS 107 2HG LYS 107 6.862 -3.017 1.560 455 1HD LYS 107 1HD LYS 107 5.882 -5.184 1.931 456 2HD LYS 107 2HD LYS 107 6.911 -5.945 0.735 457 1HE LYS 107 1HE LYS 107 8.917 -5.475 2.164 458 2HE LYS 107 2HE LYS 107 7.882 -4.724 3.364 459 1HZ LYS 107 1HZ LYS 107 7.209 -7.408 2.506 460 2HZ LYS 107 2HZ LYS 107 8.501 -7.231 3.487 461 3HZ LYS 107 3HZ LYS 107 7.031 -6.711 3.972 462 H LYS 108 H LYS 108 8.197 -2.460 -2.640 463 HA LYS 108 HA LYS 108 10.386 -1.606 -1.203 464 1HB LYS 108 1HB LYS 108 9.735 -1.964 -4.096 465 2HB LYS 108 2HB LYS 108 11.191 -1.073 -3.695 466 1HG LYS 108 1HG LYS 108 11.858 -2.999 -2.160 467 2HG LYS 108 2HG LYS 108 10.477 -3.893 -2.764 468 1HD LYS 108 1HD LYS 108 12.621 -2.743 -4.604 469 2HD LYS 108 2HD LYS 108 12.725 -4.357 -3.928 470 1HE LYS 108 1HE LYS 108 10.200 -4.501 -4.918 471 2HE LYS 108 2HE LYS 108 10.834 -3.283 -6.006 472 1HZ LYS 108 1HZ LYS 108 11.134 -5.707 -6.611 473 2HZ LYS 108 2HZ LYS 108 12.432 -4.730 -6.782 474 3HZ LYS 108 3HZ LYS 108 12.333 -5.739 -5.503 475 H ALA 109 H ALA 109 7.981 0.250 -3.111 476 HA ALA 109 HA ALA 109 9.446 2.653 -3.120 477 1HB ALA 109 1HB ALA 109 7.003 3.549 -3.520 478 2HB ALA 109 2HB ALA 109 7.774 2.511 -4.743 479 3HB ALA 109 3HB ALA 109 6.588 1.820 -3.609 480 H LEU 110 H LEU 110 7.002 1.213 -0.899 481 HA LEU 110 HA LEU 110 6.695 3.486 0.705 482 1HB LEU 110 1HB LEU 110 6.139 0.566 0.962 483 2HB LEU 110 2HB LEU 110 6.088 1.552 2.409 484 HG LEU 110 HG LEU 110 3.930 1.103 0.963 485 1HD1 LEU 110 1HD1 LEU 110 2.955 3.187 1.814 486 2HD1 LEU 110 2HD1 LEU 110 3.985 2.394 3.029 487 3HD1 LEU 110 3HD1 LEU 110 4.587 3.817 2.144 488 1HD2 LEU 110 1HD2 LEU 110 5.047 2.035 -1.107 489 2HD2 LEU 110 2HD2 LEU 110 3.437 2.689 -0.722 490 3HD2 LEU 110 3HD2 LEU 110 4.894 3.644 -0.359 491 H GLU 111 H GLU 111 8.968 0.685 0.835 492 HA GLU 111 HA GLU 111 10.029 1.417 3.309 493 1HB GLU 111 1HB GLU 111 11.081 -0.337 1.053 494 2HB GLU 111 2HB GLU 111 11.933 -0.149 2.572 495 1HG GLU 111 1HG GLU 111 9.570 -0.765 3.641 496 2HG GLU 111 2HG GLU 111 9.245 -1.441 2.057 497 H GLU 112 H GLU 112 10.856 2.226 -0.085 498 HA GLU 112 HA GLU 112 13.325 3.334 0.369 499 1HB GLU 112 1HB GLU 112 11.156 3.833 -1.686 500 2HB GLU 112 2HB GLU 112 12.616 4.802 -1.702 501 1HG GLU 112 1HG GLU 112 12.938 1.812 -1.502 502 2HG GLU 112 2HG GLU 112 12.430 2.468 -3.046 503 H ALA 113 H ALA 113 10.029 4.658 0.836 504 HA ALA 113 HA ALA 113 11.044 7.303 1.364 505 1HB ALA 113 1HB ALA 113 8.722 6.396 0.333 506 2HB ALA 113 2HB ALA 113 8.246 6.504 2.044 507 3HB ALA 113 3HB ALA 113 8.848 7.947 1.195 508 H GLY 114 H GLY 114 10.101 4.357 3.118 509 1HA GLY 114 1HA GLY 114 11.032 3.947 5.253 510 2HA GLY 114 2HA GLY 114 10.989 5.663 5.606 511 H ALA 115 H ALA 115 8.632 3.108 4.511 512 HA ALA 115 HA ALA 115 6.873 4.011 6.680 513 1HB ALA 115 1HB ALA 115 4.959 3.799 5.165 514 2HB ALA 115 2HB ALA 115 6.136 4.958 4.499 515 3HB ALA 115 3HB ALA 115 6.038 3.309 3.838 516 H GLU 116 H GLU 116 5.082 2.263 7.048 517 HA GLU 116 HA GLU 116 6.478 -0.292 6.950 518 1HB GLU 116 1HB GLU 116 5.960 0.705 9.216 519 2HB GLU 116 2HB GLU 116 4.252 0.580 8.843 520 1HG GLU 116 1HG GLU 116 4.533 -1.903 8.509 521 2HG GLU 116 2HG GLU 116 6.221 -1.754 8.956 522 H VAL 117 H VAL 117 5.659 -1.858 5.628 523 HA VAL 117 HA VAL 117 2.892 -1.480 4.720 524 HB VAL 117 HB VAL 117 5.137 -2.943 3.324 525 1HG1 VAL 117 1HG1 VAL 117 2.328 -2.141 2.557 526 2HG1 VAL 117 2HG1 VAL 117 3.576 -2.449 1.326 527 3HG1 VAL 117 3HG1 VAL 117 3.107 -3.738 2.461 528 1HG2 VAL 117 1HG2 VAL 117 5.039 -0.855 1.792 529 2HG2 VAL 117 2HG2 VAL 117 4.294 -0.048 3.193 530 3HG2 VAL 117 3HG2 VAL 117 5.928 -0.742 3.331 531 H GLU 118 H GLU 118 1.810 -3.638 4.079 532 HA GLU 118 HA GLU 118 2.824 -5.813 5.708 533 1HB GLU 118 1HB GLU 118 1.152 -4.893 7.154 534 2HB GLU 118 2HB GLU 118 0.034 -4.619 5.832 535 1HG GLU 118 1HG GLU 118 -0.756 -6.580 6.990 536 2HG GLU 118 2HG GLU 118 -0.058 -7.145 5.485 537 H VAL 119 H VAL 119 2.781 -7.767 4.634 538 HA VAL 119 HA VAL 119 1.339 -7.777 2.079 539 HB VAL 119 HB VAL 119 3.742 -9.328 3.060 540 1HG1 VAL 119 1HG1 VAL 119 1.950 -9.714 0.704 541 2HG1 VAL 119 2HG1 VAL 119 3.702 -9.894 0.444 542 3HG1 VAL 119 3HG1 VAL 119 2.871 -10.904 1.653 543 1HG2 VAL 119 1HG2 VAL 119 3.975 -6.863 2.378 544 2HG2 VAL 119 2HG2 VAL 119 5.045 -8.039 1.578 545 3HG2 VAL 119 3HG2 VAL 119 3.615 -7.412 0.723 546 H LYS 120 H LYS 120 -0.413 -9.077 1.857 547 HA LYS 120 HA LYS 120 -0.639 -11.320 3.730 548 1HB LYS 120 1HB LYS 120 -2.188 -8.969 3.827 549 2HB LYS 120 2HB LYS 120 -3.224 -10.174 3.090 550 1HG LYS 120 1HG LYS 120 -3.602 -10.535 5.386 551 2HG LYS 120 2HG LYS 120 -2.405 -11.761 5.012 552 1HD LYS 120 1HD LYS 120 -0.898 -9.438 5.642 553 2HD LYS 120 2HD LYS 120 -2.197 -9.464 6.819 554 1HE LYS 120 1HE LYS 120 -1.590 -12.006 7.114 555 2HE LYS 120 2HE LYS 120 -0.092 -11.595 6.301 556 1HZ LYS 120 1HZ LYS 120 -0.016 -9.725 8.027 557 2HZ LYS 120 2HZ LYS 120 -1.081 -10.635 8.866 558 3HZ LYS 120 3HZ LYS 120 0.390 -11.239 8.489 Start of MODEL 2 1 1H ALA 47 H ALA 47 0.831 -24.862 6.586 2 HA ALA 47 HA ALA 47 1.261 -23.115 4.727 3 1HB ALA 47 1HB ALA 47 3.416 -25.126 5.458 4 2HB ALA 47 2HB ALA 47 3.600 -23.386 5.134 5 3HB ALA 47 3HB ALA 47 2.778 -23.934 6.616 6 H ALA 48 H ALA 48 2.998 -23.271 2.813 7 HA ALA 48 HA ALA 48 3.416 -23.916 0.738 8 1HB ALA 48 1HB ALA 48 3.407 -26.383 0.254 9 2HB ALA 48 2HB ALA 48 4.310 -25.947 1.726 10 3HB ALA 48 3HB ALA 48 2.680 -26.650 1.856 11 H GLU 49 H GLU 49 1.210 -22.526 0.775 12 HA GLU 49 HA GLU 49 -0.858 -24.180 -0.426 13 1HB GLU 49 1HB GLU 49 -0.957 -21.391 0.798 14 2HB GLU 49 2HB GLU 49 -2.315 -22.125 -0.031 15 1HG GLU 49 1HG GLU 49 -2.404 -23.960 1.583 16 2HG GLU 49 2HG GLU 49 -0.899 -23.453 2.324 17 H GLU 50 H GLU 50 -2.023 -23.262 -2.359 18 HA GLU 50 HA GLU 50 -0.059 -22.198 -4.149 19 1HB GLU 50 1HB GLU 50 -2.741 -23.510 -4.384 20 2HB GLU 50 2HB GLU 50 -2.302 -22.412 -5.677 21 1HG GLU 50 1HG GLU 50 -0.230 -23.649 -6.116 22 2HG GLU 50 2HG GLU 50 -0.478 -24.658 -4.705 23 H LYS 51 H LYS 51 0.077 -20.080 -2.951 24 HA LYS 51 HA LYS 51 -2.182 -18.345 -3.667 25 1HB LYS 51 1HB LYS 51 -1.888 -18.557 -1.254 26 2HB LYS 51 2HB LYS 51 -0.199 -18.108 -1.385 27 1HG LYS 51 1HG LYS 51 -0.918 -15.972 -1.040 28 2HG LYS 51 2HG LYS 51 -1.413 -16.007 -2.719 29 1HD LYS 51 1HD LYS 51 -3.248 -16.999 -0.501 30 2HD LYS 51 2HD LYS 51 -3.191 -15.307 -0.951 31 1HE LYS 51 1HE LYS 51 -3.521 -16.263 -3.424 32 2HE LYS 51 2HE LYS 51 -4.141 -17.669 -2.585 33 1HZ LYS 51 1HZ LYS 51 -5.099 -14.961 -2.000 34 2HZ LYS 51 2HZ LYS 51 -5.785 -15.904 -3.143 35 3HZ LYS 51 3HZ LYS 51 -5.792 -16.380 -1.581 36 H THR 52 H THR 52 -1.707 -17.415 -5.600 37 HA THR 52 HA THR 52 1.056 -16.483 -5.982 38 HB THR 52 HB THR 52 0.267 -16.428 -8.429 39 HG1 THR 52 1HG THR 52 -2.036 -16.352 -7.779 40 1HG2 THR 52 1HG2 THR 52 1.436 -18.479 -7.411 41 2HG2 THR 52 2HG2 THR 52 -0.186 -19.140 -7.087 42 3HG2 THR 52 3HG2 THR 52 0.335 -18.841 -8.763 43 H GLU 53 H GLU 53 -2.090 -15.446 -5.116 44 HA GLU 53 HA GLU 53 -1.446 -12.768 -6.069 45 1HB GLU 53 1HB GLU 53 -4.079 -14.112 -5.370 46 2HB GLU 53 2HB GLU 53 -3.951 -12.367 -5.481 47 1HG GLU 53 1HG GLU 53 -3.347 -12.442 -7.803 48 2HG GLU 53 2HG GLU 53 -2.962 -14.151 -7.737 49 H PHE 54 H PHE 54 -0.701 -11.330 -4.572 50 HA PHE 54 HA PHE 54 -1.111 -12.045 -1.764 51 1HB PHE 54 1HB PHE 54 0.869 -10.233 -3.271 52 2HB PHE 54 2HB PHE 54 0.879 -10.423 -1.530 53 HD1 PHE 54 1HD PHE 54 1.253 -12.328 -4.696 54 HD2 PHE 54 2HD PHE 54 2.071 -12.175 -0.535 55 HE1 PHE 54 1HE PHE 54 2.772 -14.312 -4.922 56 HE2 PHE 54 2HE PHE 54 3.590 -14.161 -0.761 57 HZ PHE 54 HZ PHE 54 3.923 -15.206 -2.952 58 H ASP 55 H ASP 55 -1.556 -10.313 -0.203 59 HA ASP 55 HA ASP 55 -3.019 -8.150 -1.489 60 1HB ASP 55 1HB ASP 55 -3.229 -9.135 1.393 61 2HB ASP 55 2HB ASP 55 -4.290 -7.977 0.615 62 H VAL 56 H VAL 56 -2.375 -5.999 -1.015 63 HA VAL 56 HA VAL 56 -0.089 -5.762 0.813 64 HB VAL 56 HB VAL 56 -0.857 -4.197 -1.656 65 1HG1 VAL 56 1HG1 VAL 56 0.072 -2.553 -0.276 66 2HG1 VAL 56 2HG1 VAL 56 1.234 -3.685 0.458 67 3HG1 VAL 56 3HG1 VAL 56 1.466 -3.133 -1.219 68 1HG2 VAL 56 1HG2 VAL 56 0.141 -6.155 -2.424 69 2HG2 VAL 56 2HG2 VAL 56 1.522 -5.037 -2.309 70 3HG2 VAL 56 3HG2 VAL 56 1.253 -6.256 -1.038 71 H ILE 57 H ILE 57 -0.688 -4.948 2.752 72 HA ILE 57 HA ILE 57 -2.871 -2.989 2.744 73 HB ILE 57 HB ILE 57 -1.962 -5.087 4.646 74 1HG1 ILE 57 1HG1 ILE 57 -4.520 -5.117 4.982 75 2HG1 ILE 57 2HG1 ILE 57 -4.596 -4.058 3.588 76 1HG2 ILE 57 1HG2 ILE 57 -3.249 -2.484 5.514 77 2HG2 ILE 57 2HG2 ILE 57 -3.167 -3.960 6.505 78 3HG2 ILE 57 3HG2 ILE 57 -1.670 -3.131 6.019 79 1HD1 ILE 57 1HD1 ILE 57 -4.810 -6.531 3.047 80 2HD1 ILE 57 2HD1 ILE 57 -3.504 -5.700 2.168 81 3HD1 ILE 57 3HD1 ILE 57 -3.120 -6.727 3.570 82 H LEU 58 H LEU 58 -2.598 -0.962 3.755 83 HA LEU 58 HA LEU 58 0.196 -0.257 4.222 84 1HB LEU 58 1HB LEU 58 -0.872 1.137 2.640 85 2HB LEU 58 2HB LEU 58 -2.292 1.335 3.647 86 HG LEU 58 HG LEU 58 0.362 2.313 4.653 87 1HD1 LEU 58 1HD1 LEU 58 0.385 3.265 2.483 88 2HD1 LEU 58 2HD1 LEU 58 -1.345 3.674 2.563 89 3HD1 LEU 58 3HD1 LEU 58 -0.177 4.540 3.590 90 1HD2 LEU 58 1HD2 LEU 58 -2.509 2.721 5.265 91 2HD2 LEU 58 2HD2 LEU 58 -1.089 2.705 6.337 92 3HD2 LEU 58 3HD2 LEU 58 -1.466 4.158 5.380 93 H LYS 59 H LYS 59 0.936 -0.410 6.267 94 HA LYS 59 HA LYS 59 -1.015 -0.545 8.399 95 1HB LYS 59 1HB LYS 59 1.880 -1.259 8.072 96 2HB LYS 59 2HB LYS 59 1.257 -0.976 9.684 97 1HG LYS 59 1HG LYS 59 -0.170 -2.831 7.735 98 2HG LYS 59 2HG LYS 59 1.138 -3.405 8.751 99 1HD LYS 59 1HD LYS 59 -0.890 -1.838 10.240 100 2HD LYS 59 2HD LYS 59 -1.549 -3.278 9.489 101 1HE LYS 59 1HE LYS 59 0.990 -3.324 11.182 102 2HE LYS 59 2HE LYS 59 -0.605 -3.574 11.865 103 1HZ LYS 59 1HZ LYS 59 0.924 -5.483 10.776 104 2HZ LYS 59 2HZ LYS 59 -0.687 -5.606 11.020 105 3HZ LYS 59 3HZ LYS 59 -0.114 -5.163 9.556 106 H ALA 60 H ALA 60 2.090 1.257 7.798 107 HA ALA 60 HA ALA 60 0.845 3.584 9.043 108 1HB ALA 60 1HB ALA 60 2.624 3.873 10.619 109 2HB ALA 60 2HB ALA 60 2.089 2.184 10.779 110 3HB ALA 60 3HB ALA 60 3.580 2.564 9.885 111 H ALA 61 H ALA 61 1.257 5.384 7.850 112 HA ALA 61 HA ALA 61 2.811 5.217 5.516 113 1HB ALA 61 1HB ALA 61 1.555 7.494 7.084 114 2HB ALA 61 2HB ALA 61 2.435 7.755 5.559 115 3HB ALA 61 3HB ALA 61 0.975 6.736 5.581 116 H GLY 62 H GLY 62 3.554 5.913 8.882 117 1HA GLY 62 1HA GLY 62 5.575 6.140 9.875 118 2HA GLY 62 2HA GLY 62 6.359 5.988 8.316 119 H ALA 63 H ALA 63 7.829 7.738 8.837 120 HA ALA 63 HA ALA 63 6.615 10.324 9.368 121 1HB ALA 63 1HB ALA 63 8.651 9.273 10.592 122 2HB ALA 63 2HB ALA 63 9.571 9.712 9.132 123 3HB ALA 63 3HB ALA 63 8.763 10.976 10.091 124 H ASN 64 H ASN 64 6.004 9.199 6.809 125 HA ASN 64 HA ASN 64 7.163 11.265 5.201 126 1HB ASN 64 1HB ASN 64 8.458 8.863 5.076 127 2HB ASN 64 2HB ASN 64 7.185 8.536 3.917 128 1HD2 ASN 64 1HD2 ASN 64 6.864 11.293 3.098 129 2HD2 ASN 64 2HD2 ASN 64 8.221 11.724 2.112 130 H LYS 65 H LYS 65 4.620 11.402 5.969 131 HA LYS 65 HA LYS 65 2.790 9.696 4.703 132 1HB LYS 65 1HB LYS 65 2.672 11.555 6.690 133 2HB LYS 65 2HB LYS 65 1.915 12.443 5.383 134 1HG LYS 65 1HG LYS 65 0.464 10.342 4.974 135 2HG LYS 65 2HG LYS 65 1.085 9.728 6.492 136 1HD LYS 65 1HD LYS 65 -0.930 10.805 7.122 137 2HD LYS 65 2HD LYS 65 0.302 11.980 7.534 138 1HE LYS 65 1HE LYS 65 -0.202 13.364 5.670 139 2HE LYS 65 2HE LYS 65 -0.969 12.062 4.783 140 1HZ LYS 65 1HZ LYS 65 -2.787 12.118 6.285 141 2HZ LYS 65 2HZ LYS 65 -2.051 13.193 7.270 142 3HZ LYS 65 3HZ LYS 65 -2.527 13.648 5.775 143 H VAL 66 H VAL 66 4.673 12.452 3.606 144 HA VAL 66 HA VAL 66 2.940 13.300 1.561 145 HB VAL 66 HB VAL 66 5.927 13.548 1.951 146 1HG1 VAL 66 1HG1 VAL 66 5.330 13.826 -0.423 147 2HG1 VAL 66 2HG1 VAL 66 4.130 15.061 0.024 148 3HG1 VAL 66 3HG1 VAL 66 5.862 15.360 0.307 149 1HG2 VAL 66 1HG2 VAL 66 5.261 15.916 2.589 150 2HG2 VAL 66 2HG2 VAL 66 3.580 15.334 2.643 151 3HG2 VAL 66 3HG2 VAL 66 4.797 14.636 3.738 152 H ALA 67 H ALA 67 6.038 11.399 1.336 153 HA ALA 67 HA ALA 67 5.755 10.743 -1.325 154 1HB ALA 67 1HB ALA 67 7.405 8.982 -0.819 155 2HB ALA 67 2HB ALA 67 7.820 10.499 0.015 156 3HB ALA 67 3HB ALA 67 7.072 9.161 0.920 157 H VAL 68 H VAL 68 4.487 9.129 1.634 158 HA VAL 68 HA VAL 68 3.594 6.801 0.429 159 HB VAL 68 HB VAL 68 2.651 8.392 2.810 160 1HG1 VAL 68 1HG1 VAL 68 0.704 7.212 2.363 161 2HG1 VAL 68 2HG1 VAL 68 1.576 5.825 1.668 162 3HG1 VAL 68 3HG1 VAL 68 1.579 6.086 3.428 163 1HG2 VAL 68 1HG2 VAL 68 3.858 5.708 3.119 164 2HG2 VAL 68 2HG2 VAL 68 4.942 6.960 2.468 165 3HG2 VAL 68 3HG2 VAL 68 4.137 7.208 4.036 166 H ILE 69 H ILE 69 1.733 9.848 1.133 167 HA ILE 69 HA ILE 69 -0.628 9.059 0.003 168 HB ILE 69 HB ILE 69 0.701 11.713 0.402 169 1HG1 ILE 69 1HG1 ILE 69 -0.305 10.262 2.268 170 2HG1 ILE 69 2HG1 ILE 69 -0.752 11.956 2.204 171 1HG2 ILE 69 1HG2 ILE 69 -1.905 11.196 -1.031 172 2HG2 ILE 69 2HG2 ILE 69 -1.555 12.729 -0.200 173 3HG2 ILE 69 3HG2 ILE 69 -0.526 12.194 -1.550 174 1HD1 ILE 69 1HD1 ILE 69 -2.888 11.446 1.168 175 2HD1 ILE 69 2HD1 ILE 69 -2.419 9.749 0.919 176 3HD1 ILE 69 3HD1 ILE 69 -2.697 10.362 2.567 177 H LYS 70 H LYS 70 2.362 10.245 -1.557 178 HA LYS 70 HA LYS 70 1.209 10.649 -4.094 179 1HB LYS 70 1HB LYS 70 4.051 10.207 -3.151 180 2HB LYS 70 2HB LYS 70 3.643 10.500 -4.830 181 1HG LYS 70 1HG LYS 70 2.226 12.519 -3.560 182 2HG LYS 70 2HG LYS 70 3.631 12.380 -2.523 183 1HD LYS 70 1HD LYS 70 5.142 12.680 -4.454 184 2HD LYS 70 2HD LYS 70 3.783 12.681 -5.559 185 1HE LYS 70 1HE LYS 70 2.875 14.719 -4.301 186 2HE LYS 70 2HE LYS 70 4.381 14.761 -3.405 187 1HZ LYS 70 1HZ LYS 70 4.378 16.177 -5.374 188 2HZ LYS 70 2HZ LYS 70 5.563 15.056 -5.435 189 3HZ LYS 70 3HZ LYS 70 4.214 14.868 -6.337 190 H ALA 71 H ALA 71 3.068 7.884 -2.653 191 HA ALA 71 HA ALA 71 2.959 6.236 -4.867 192 1HB ALA 71 1HB ALA 71 4.307 5.966 -2.736 193 2HB ALA 71 2HB ALA 71 2.822 5.372 -1.954 194 3HB ALA 71 3HB ALA 71 3.527 4.477 -3.323 195 H VAL 72 H VAL 72 0.574 6.812 -2.230 196 HA VAL 72 HA VAL 72 -1.108 4.679 -2.858 197 HB VAL 72 HB VAL 72 -1.601 7.359 -1.551 198 1HG1 VAL 72 1HG1 VAL 72 -3.637 6.209 -0.573 199 2HG1 VAL 72 2HG1 VAL 72 -3.743 6.628 -2.299 200 3HG1 VAL 72 3HG1 VAL 72 -3.419 4.948 -1.810 201 1HG2 VAL 72 1HG2 VAL 72 -0.214 5.049 -0.693 202 2HG2 VAL 72 2HG2 VAL 72 -0.675 6.471 0.274 203 3HG2 VAL 72 3HG2 VAL 72 -1.761 5.062 0.188 204 H ARG 73 H ARG 73 -1.839 8.183 -3.484 205 HA ARG 73 HA ARG 73 -3.875 7.727 -5.179 206 1HB ARG 73 1HB ARG 73 -3.576 10.031 -5.940 207 2HB ARG 73 2HB ARG 73 -3.139 9.962 -4.245 208 1HG ARG 73 1HG ARG 73 -0.709 9.704 -4.938 209 2HG ARG 73 2HG ARG 73 -1.201 9.928 -6.606 210 1HD ARG 73 1HD ARG 73 -1.846 11.967 -4.429 211 2HD ARG 73 2HD ARG 73 -0.370 12.035 -5.372 212 HE ARG 73 HE ARG 73 -2.553 11.792 -7.193 213 1HH1 ARG 73 2HH2 ARG 73 -1.156 14.119 -4.954 214 2HH1 ARG 73 1HH2 ARG 73 -1.810 15.496 -5.776 215 1HH2 ARG 73 2HH1 ARG 73 -3.450 13.606 -8.256 216 2HH2 ARG 73 1HH1 ARG 73 -3.120 15.203 -7.670 217 H GLY 74 H GLY 74 -0.383 7.503 -5.784 218 1HA GLY 74 1HA GLY 74 -0.497 7.690 -8.625 219 2HA GLY 74 2HA GLY 74 0.839 7.119 -7.643 220 H ALA 75 H ALA 75 -0.795 5.054 -6.212 221 HA ALA 75 HA ALA 75 -0.512 3.041 -8.270 222 1HB ALA 75 1HB ALA 75 -0.828 1.501 -6.307 223 2HB ALA 75 2HB ALA 75 0.525 2.640 -6.111 224 3HB ALA 75 3HB ALA 75 -1.015 2.935 -5.269 225 H THR 76 H THR 76 -2.996 4.945 -6.712 226 HA THR 76 HA THR 76 -5.035 3.109 -7.788 227 HB THR 76 HB THR 76 -6.461 3.927 -5.913 228 HG1 THR 76 1HG THR 76 -5.156 5.312 -4.345 229 1HG2 THR 76 1HG2 THR 76 -3.746 3.322 -4.672 230 2HG2 THR 76 2HG2 THR 76 -5.359 2.852 -4.085 231 3HG2 THR 76 3HG2 THR 76 -4.661 2.047 -5.512 232 H GLY 77 H GLY 77 -5.019 6.546 -6.658 233 1HA GLY 77 1HA GLY 77 -5.060 8.286 -8.378 234 2HA GLY 77 2HA GLY 77 -6.127 7.254 -9.310 235 H LEU 78 H LEU 78 -6.539 7.163 -5.825 236 HA LEU 78 HA LEU 78 -9.188 8.134 -6.048 237 1HB LEU 78 1HB LEU 78 -7.429 7.458 -3.690 238 2HB LEU 78 2HB LEU 78 -9.103 7.958 -3.538 239 HG LEU 78 HG LEU 78 -8.213 5.539 -5.129 240 1HD1 LEU 78 1HD1 LEU 78 -8.585 4.148 -3.306 241 2HD1 LEU 78 2HD1 LEU 78 -7.732 5.534 -2.585 242 3HD1 LEU 78 3HD1 LEU 78 -9.497 5.387 -2.412 243 1HD2 LEU 78 1HD2 LEU 78 -10.310 6.162 -5.941 244 2HD2 LEU 78 2HD2 LEU 78 -10.679 4.929 -4.713 245 3HD2 LEU 78 3HD2 LEU 78 -10.897 6.654 -4.333 246 H GLY 79 H GLY 79 -10.104 10.051 -5.046 247 1HA GLY 79 1HA GLY 79 -8.818 12.416 -5.660 248 2HA GLY 79 2HA GLY 79 -10.162 12.241 -4.548 249 H LEU 80 H LEU 80 -7.663 13.981 -4.469 250 HA LEU 80 HA LEU 80 -5.740 13.207 -2.764 251 1HB LEU 80 1HB LEU 80 -6.415 15.511 -3.895 252 2HB LEU 80 2HB LEU 80 -7.001 15.864 -2.282 253 HG LEU 80 HG LEU 80 -4.746 16.721 -2.608 254 1HD1 LEU 80 1HD1 LEU 80 -3.696 15.822 -0.621 255 2HD1 LEU 80 2HD1 LEU 80 -5.452 15.971 -0.364 256 3HD1 LEU 80 3HD1 LEU 80 -4.731 14.375 -0.690 257 1HD2 LEU 80 1HD2 LEU 80 -4.213 14.734 -4.248 258 2HD2 LEU 80 2HD2 LEU 80 -2.920 15.522 -3.313 259 3HD2 LEU 80 3HD2 LEU 80 -3.589 13.964 -2.771 260 H LYS 81 H LYS 81 -9.068 14.291 -1.849 261 HA LYS 81 HA LYS 81 -8.664 14.153 0.901 262 1HB LYS 81 1HB LYS 81 -10.532 15.329 -0.172 263 2HB LYS 81 2HB LYS 81 -11.206 13.806 -0.716 264 1HG LYS 81 1HG LYS 81 -11.351 13.060 1.703 265 2HG LYS 81 2HG LYS 81 -10.793 14.649 2.191 266 1HD LYS 81 1HD LYS 81 -12.994 14.944 0.310 267 2HD LYS 81 2HD LYS 81 -13.473 13.843 1.587 268 1HE LYS 81 1HE LYS 81 -14.041 16.014 2.411 269 2HE LYS 81 2HE LYS 81 -12.568 15.588 3.261 270 1HZ LYS 81 1HZ LYS 81 -11.345 16.847 1.590 271 2HZ LYS 81 2HZ LYS 81 -12.743 17.293 0.875 272 3HZ LYS 81 3HZ LYS 81 -12.412 17.786 2.395 273 H GLU 82 H GLU 82 -10.416 11.753 -1.202 274 HA GLU 82 HA GLU 82 -10.800 9.838 0.593 275 1HB GLU 82 1HB GLU 82 -10.041 9.658 -2.336 276 2HB GLU 82 2HB GLU 82 -10.374 8.205 -1.416 277 1HG GLU 82 1HG GLU 82 -12.302 10.568 -1.547 278 2HG GLU 82 2HG GLU 82 -12.380 9.210 -2.652 279 H ALA 83 H ALA 83 -7.727 10.423 -1.223 280 HA ALA 83 HA ALA 83 -6.395 8.154 -0.277 281 1HB ALA 83 1HB ALA 83 -4.385 9.332 -1.084 282 2HB ALA 83 2HB ALA 83 -5.720 9.484 -2.249 283 3HB ALA 83 3HB ALA 83 -5.306 10.850 -1.186 284 H LYS 84 H LYS 84 -6.550 11.567 0.920 285 HA LYS 84 HA LYS 84 -4.717 11.280 2.973 286 1HB LYS 84 1HB LYS 84 -5.418 13.451 2.283 287 2HB LYS 84 2HB LYS 84 -7.105 13.097 2.602 288 1HG LYS 84 1HG LYS 84 -6.654 12.923 5.026 289 2HG LYS 84 2HG LYS 84 -4.936 13.134 4.753 290 1HD LYS 84 1HD LYS 84 -5.748 15.291 5.415 291 2HD LYS 84 2HD LYS 84 -5.485 15.402 3.686 292 1HE LYS 84 1HE LYS 84 -7.624 16.312 3.810 293 2HE LYS 84 2HE LYS 84 -8.041 14.628 3.556 294 1HZ LYS 84 1HZ LYS 84 -7.854 15.949 6.175 295 2HZ LYS 84 2HZ LYS 84 -9.238 15.561 5.401 296 3HZ LYS 84 3HZ LYS 84 -8.244 14.381 5.938 297 H ASP 85 H ASP 85 -8.331 10.921 3.054 298 HA ASP 85 HA ASP 85 -8.516 10.320 5.699 299 1HB ASP 85 1HB ASP 85 -10.148 9.190 3.377 300 2HB ASP 85 2HB ASP 85 -10.644 9.119 5.057 301 H LEU 86 H LEU 86 -8.038 8.154 2.823 302 HA LEU 86 HA LEU 86 -8.256 5.717 4.036 303 1HB LEU 86 1HB LEU 86 -8.095 6.038 1.647 304 2HB LEU 86 2HB LEU 86 -6.444 6.607 1.791 305 HG LEU 86 HG LEU 86 -7.104 3.862 2.797 306 1HD1 LEU 86 1HD1 LEU 86 -6.832 2.878 0.604 307 2HD1 LEU 86 2HD1 LEU 86 -8.197 4.020 0.583 308 3HD1 LEU 86 3HD1 LEU 86 -6.636 4.487 -0.132 309 1HD2 LEU 86 1HD2 LEU 86 -4.760 3.549 1.667 310 2HD2 LEU 86 2HD2 LEU 86 -4.693 5.324 1.784 311 3HD2 LEU 86 3HD2 LEU 86 -4.903 4.343 3.253 312 H VAL 87 H VAL 87 -5.185 7.610 3.557 313 HA VAL 87 HA VAL 87 -3.605 5.811 4.973 314 HB VAL 87 HB VAL 87 -3.337 8.747 4.332 315 1HG1 VAL 87 1HG1 VAL 87 -1.465 6.910 5.813 316 2HG1 VAL 87 2HG1 VAL 87 -0.825 8.223 4.795 317 3HG1 VAL 87 3HG1 VAL 87 -1.903 8.599 6.160 318 1HG2 VAL 87 1HG2 VAL 87 -1.674 7.892 2.678 319 2HG2 VAL 87 2HG2 VAL 87 -2.139 6.233 3.124 320 3HG2 VAL 87 3HG2 VAL 87 -3.334 7.322 2.380 321 H GLU 88 H GLU 88 -5.587 8.619 6.006 322 HA GLU 88 HA GLU 88 -4.432 8.692 8.575 323 1HB GLU 88 1HB GLU 88 -6.953 9.923 7.389 324 2HB GLU 88 2HB GLU 88 -6.464 10.202 9.049 325 1HG GLU 88 1HG GLU 88 -4.290 10.601 7.053 326 2HG GLU 88 2HG GLU 88 -5.633 11.713 6.884 327 H SER 89 H SER 89 -6.657 6.574 7.056 328 HA SER 89 HA SER 89 -7.900 5.951 9.613 329 1HB SER 89 1HB SER 89 -9.707 4.935 8.369 330 2HB SER 89 2HB SER 89 -9.401 6.509 7.664 331 HG SER 89 HG SER 89 -9.529 5.141 5.914 332 H ALA 90 H ALA 90 -5.125 5.187 8.473 333 HA ALA 90 HA ALA 90 -5.043 2.556 7.687 334 1HB ALA 90 1HB ALA 90 -2.742 2.627 8.788 335 2HB ALA 90 2HB ALA 90 -3.077 3.922 7.613 336 3HB ALA 90 3HB ALA 90 -3.163 4.260 9.359 337 HA PRO 91 HA PRO 91 -3.752 0.957 8.095 338 1HB PRO 91 1HB PRO 91 -4.288 -1.721 8.035 339 2HB PRO 91 2HB PRO 91 -2.948 -1.032 8.929 340 1HG PRO 91 1HG PRO 91 -5.516 -2.078 9.952 341 2HG PRO 91 2HG PRO 91 -4.025 -1.787 10.824 342 1HD PRO 91 1HD PRO 91 -6.381 -0.153 10.864 343 2HD PRO 91 2HD PRO 91 -4.850 0.196 11.642 344 H ALA 92 H ALA 92 -4.125 0.239 5.882 345 HA ALA 92 HA ALA 92 -6.981 0.056 5.306 346 1HB ALA 92 1HB ALA 92 -6.041 2.488 5.242 347 2HB ALA 92 2HB ALA 92 -5.217 1.960 3.755 348 3HB ALA 92 3HB ALA 92 -6.994 1.905 3.855 349 H ALA 93 H ALA 93 -7.353 -0.662 3.004 350 HA ALA 93 HA ALA 93 -5.251 -2.532 2.263 351 1HB ALA 93 1HB ALA 93 -7.625 -3.272 2.548 352 2HB ALA 93 2HB ALA 93 -8.086 -2.198 1.204 353 3HB ALA 93 3HB ALA 93 -6.990 -3.571 0.911 354 H LEU 94 H LEU 94 -3.707 -1.813 0.884 355 HA LEU 94 HA LEU 94 -4.300 0.388 -0.878 356 1HB LEU 94 1HB LEU 94 -1.916 -1.039 0.107 357 2HB LEU 94 2HB LEU 94 -1.803 -0.464 -1.544 358 HG LEU 94 HG LEU 94 -2.368 1.210 0.918 359 1HD1 LEU 94 1HD1 LEU 94 0.022 1.224 -0.945 360 2HD1 LEU 94 2HD1 LEU 94 -0.206 2.206 0.523 361 3HD1 LEU 94 3HD1 LEU 94 -0.030 0.439 0.653 362 1HD2 LEU 94 1HD2 LEU 94 -1.892 3.033 -1.014 363 2HD2 LEU 94 2HD2 LEU 94 -2.727 1.783 -1.966 364 3HD2 LEU 94 3HD2 LEU 94 -3.520 2.492 -0.538 365 H LYS 95 H LYS 95 -3.523 -3.135 -1.109 366 HA LYS 95 HA LYS 95 -4.947 -3.163 -3.638 367 1HB LYS 95 1HB LYS 95 -2.367 -4.625 -3.706 368 2HB LYS 95 2HB LYS 95 -3.234 -3.798 -4.985 369 1HG LYS 95 1HG LYS 95 -2.536 -1.595 -4.070 370 2HG LYS 95 2HG LYS 95 -1.730 -2.386 -2.730 371 1HD LYS 95 1HD LYS 95 -0.041 -1.843 -4.390 372 2HD LYS 95 2HD LYS 95 -0.238 -3.584 -4.382 373 1HE LYS 95 1HE LYS 95 -1.358 -3.611 -6.455 374 2HE LYS 95 2HE LYS 95 -1.927 -1.963 -6.294 375 1HZ LYS 95 1HZ LYS 95 -0.057 -2.333 -7.871 376 2HZ LYS 95 2HZ LYS 95 0.197 -1.151 -6.772 377 3HZ LYS 95 3HZ LYS 95 0.917 -2.606 -6.589 378 H GLU 96 H GLU 96 -5.813 -5.247 -4.152 379 HA GLU 96 HA GLU 96 -5.511 -7.147 -1.960 380 1HB GLU 96 1HB GLU 96 -8.065 -6.427 -3.463 381 2HB GLU 96 2HB GLU 96 -7.934 -7.748 -2.320 382 1HG GLU 96 1HG GLU 96 -7.131 -6.028 -0.586 383 2HG GLU 96 2HG GLU 96 -7.559 -4.777 -1.735 384 H GLY 97 H GLY 97 -4.946 -9.206 -2.576 385 1HA GLY 97 1HA GLY 97 -4.162 -10.792 -3.992 386 2HA GLY 97 2HA GLY 97 -5.789 -10.707 -4.639 387 H VAL 98 H VAL 98 -2.483 -9.284 -4.922 388 HA VAL 98 HA VAL 98 -3.081 -8.829 -7.760 389 HB VAL 98 HB VAL 98 -1.645 -6.837 -7.649 390 1HG1 VAL 98 1HG1 VAL 98 -4.211 -6.863 -7.286 391 2HG1 VAL 98 2HG1 VAL 98 -3.824 -6.489 -5.590 392 3HG1 VAL 98 3HG1 VAL 98 -3.309 -5.381 -6.885 393 1HG2 VAL 98 1HG2 VAL 98 -0.930 -5.874 -5.563 394 2HG2 VAL 98 2HG2 VAL 98 -1.770 -7.136 -4.632 395 3HG2 VAL 98 3HG2 VAL 98 -0.352 -7.556 -5.622 396 H SER 99 H SER 99 -0.880 -8.579 -9.011 397 HA SER 99 HA SER 99 0.440 -10.980 -8.720 398 1HB SER 99 1HB SER 99 2.019 -10.077 -10.410 399 2HB SER 99 2HB SER 99 0.352 -9.755 -10.844 400 HG SER 99 HG SER 99 0.586 -7.601 -10.403 401 H LYS 100 H LYS 100 2.472 -11.564 -7.811 402 HA LYS 100 HA LYS 100 3.218 -10.288 -5.489 403 1HB LYS 100 1HB LYS 100 3.693 -12.659 -6.175 404 2HB LYS 100 2HB LYS 100 4.965 -12.059 -7.218 405 1HG LYS 100 1HG LYS 100 5.299 -10.833 -4.624 406 2HG LYS 100 2HG LYS 100 5.069 -12.552 -4.379 407 1HD LYS 100 1HD LYS 100 6.865 -13.012 -6.085 408 2HD LYS 100 2HD LYS 100 7.115 -11.287 -6.264 409 1HE LYS 100 1HE LYS 100 7.473 -11.292 -3.655 410 2HE LYS 100 2HE LYS 100 7.674 -13.024 -3.834 411 1HZ LYS 100 1HZ LYS 100 9.518 -12.721 -5.169 412 2HZ LYS 100 2HZ LYS 100 9.176 -11.162 -5.515 413 3HZ LYS 100 3HZ LYS 100 9.710 -11.570 -4.027 414 H ASP 101 H ASP 101 4.499 -9.948 -8.842 415 HA ASP 101 HA ASP 101 6.723 -8.510 -8.251 416 1HB ASP 101 1HB ASP 101 4.800 -8.344 -10.610 417 2HB ASP 101 2HB ASP 101 6.306 -7.448 -10.580 418 H ASP 102 H ASP 102 3.297 -7.457 -8.737 419 HA ASP 102 HA ASP 102 3.840 -4.730 -8.703 420 1HB ASP 102 1HB ASP 102 1.380 -6.432 -8.203 421 2HB ASP 102 2HB ASP 102 1.300 -4.701 -7.935 422 H ALA 103 H ALA 103 3.150 -7.212 -6.207 423 HA ALA 103 HA ALA 103 2.566 -5.461 -4.094 424 1HB ALA 103 1HB ALA 103 3.785 -8.251 -3.996 425 2HB ALA 103 2HB ALA 103 2.868 -7.435 -2.706 426 3HB ALA 103 3HB ALA 103 2.049 -7.914 -4.212 427 H GLU 104 H GLU 104 5.631 -7.041 -5.206 428 HA GLU 104 HA GLU 104 7.123 -5.968 -3.093 429 1HB GLU 104 1HB GLU 104 7.909 -7.164 -5.780 430 2HB GLU 104 2HB GLU 104 9.095 -6.655 -4.593 431 1HG GLU 104 1HG GLU 104 6.846 -8.551 -3.826 432 2HG GLU 104 2HG GLU 104 8.307 -9.155 -4.582 433 H ALA 105 H ALA 105 6.095 -4.772 -6.254 434 HA ALA 105 HA ALA 105 8.087 -2.796 -6.549 435 1HB ALA 105 1HB ALA 105 5.262 -3.041 -7.663 436 2HB ALA 105 2HB ALA 105 6.490 -1.884 -8.233 437 3HB ALA 105 3HB ALA 105 6.758 -3.633 -8.424 438 H LEU 106 H LEU 106 4.690 -2.747 -5.270 439 HA LEU 106 HA LEU 106 4.769 -0.012 -4.622 440 1HB LEU 106 1HB LEU 106 2.707 -1.199 -5.010 441 2HB LEU 106 2HB LEU 106 3.019 -2.278 -3.666 442 HG LEU 106 HG LEU 106 1.323 -0.505 -3.212 443 1HD1 LEU 106 1HD1 LEU 106 3.546 0.045 -1.306 444 2HD1 LEU 106 2HD1 LEU 106 1.852 -0.409 -1.002 445 3HD1 LEU 106 3HD1 LEU 106 3.026 -1.644 -1.513 446 1HD2 LEU 106 1HD2 LEU 106 3.651 1.427 -3.175 447 2HD2 LEU 106 2HD2 LEU 106 2.509 1.275 -4.532 448 3HD2 LEU 106 3HD2 LEU 106 1.923 1.780 -2.929 449 H LYS 107 H LYS 107 5.374 -3.032 -2.730 450 HA LYS 107 HA LYS 107 5.666 -1.859 -0.257 451 1HB LYS 107 1HB LYS 107 5.492 -4.266 -0.622 452 2HB LYS 107 2HB LYS 107 7.051 -4.293 -1.421 453 1HG LYS 107 1HG LYS 107 8.105 -3.401 0.703 454 2HG LYS 107 2HG LYS 107 6.541 -3.503 1.487 455 1HD LYS 107 1HD LYS 107 6.511 -5.868 1.436 456 2HD LYS 107 2HD LYS 107 7.646 -5.957 0.104 457 1HE LYS 107 1HE LYS 107 9.517 -5.393 1.513 458 2HE LYS 107 2HE LYS 107 8.477 -4.830 2.807 459 1HZ LYS 107 1HZ LYS 107 9.356 -7.039 3.206 460 2HZ LYS 107 2HZ LYS 107 7.726 -7.068 3.131 461 3HZ LYS 107 3HZ LYS 107 8.611 -7.614 1.872 462 H LYS 108 H LYS 108 8.146 -2.416 -2.839 463 HA LYS 108 HA LYS 108 10.320 -1.504 -1.412 464 1HB LYS 108 1HB LYS 108 9.657 -1.629 -4.349 465 2HB LYS 108 2HB LYS 108 11.167 -0.927 -3.805 466 1HG LYS 108 1HG LYS 108 10.334 -3.623 -2.711 467 2HG LYS 108 2HG LYS 108 10.990 -3.536 -4.334 468 1HD LYS 108 1HD LYS 108 13.050 -2.473 -3.506 469 2HD LYS 108 2HD LYS 108 12.388 -2.357 -1.887 470 1HE LYS 108 1HE LYS 108 12.083 -5.038 -2.279 471 2HE LYS 108 2HE LYS 108 13.450 -4.761 -3.339 472 1HZ LYS 108 1HZ LYS 108 14.426 -3.533 -1.377 473 2HZ LYS 108 2HZ LYS 108 13.273 -4.249 -0.468 474 3HZ LYS 108 3HZ LYS 108 14.362 -5.162 -1.273 475 H ALA 109 H ALA 109 7.781 0.288 -3.203 476 HA ALA 109 HA ALA 109 9.120 2.759 -3.178 477 1HB ALA 109 1HB ALA 109 7.211 2.060 -4.670 478 2HB ALA 109 2HB ALA 109 6.129 2.217 -3.266 479 3HB ALA 109 3HB ALA 109 6.986 3.646 -3.892 480 H LEU 110 H LEU 110 6.788 1.156 -0.940 481 HA LEU 110 HA LEU 110 6.467 3.367 0.749 482 1HB LEU 110 1HB LEU 110 5.988 0.426 0.932 483 2HB LEU 110 2HB LEU 110 5.918 1.384 2.398 484 HG LEU 110 HG LEU 110 3.763 0.899 0.974 485 1HD1 LEU 110 1HD1 LEU 110 4.367 3.617 2.168 486 2HD1 LEU 110 2HD1 LEU 110 2.745 2.961 1.840 487 3HD1 LEU 110 3HD1 LEU 110 3.795 2.176 3.042 488 1HD2 LEU 110 1HD2 LEU 110 4.675 3.459 -0.355 489 2HD2 LEU 110 2HD2 LEU 110 4.805 1.852 -1.111 490 3HD2 LEU 110 3HD2 LEU 110 3.207 2.509 -0.685 491 H GLU 111 H GLU 111 8.801 0.617 0.718 492 HA GLU 111 HA GLU 111 9.910 1.255 3.190 493 1HB GLU 111 1HB GLU 111 10.947 -0.330 0.808 494 2HB GLU 111 2HB GLU 111 11.859 -0.184 2.299 495 1HG GLU 111 1HG GLU 111 9.895 -1.115 3.569 496 2HG GLU 111 2HG GLU 111 9.024 -1.301 2.059 497 H GLU 112 H GLU 112 10.666 2.245 -0.181 498 HA GLU 112 HA GLU 112 13.110 3.393 0.303 499 1HB GLU 112 1HB GLU 112 10.937 3.786 -1.744 500 2HB GLU 112 2HB GLU 112 12.239 4.959 -1.698 501 1HG GLU 112 1HG GLU 112 13.920 3.149 -1.939 502 2HG GLU 112 2HG GLU 112 12.655 1.939 -1.897 503 H ALA 113 H ALA 113 9.787 4.638 0.811 504 HA ALA 113 HA ALA 113 10.748 7.288 1.405 505 1HB ALA 113 1HB ALA 113 8.652 7.203 0.307 506 2HB ALA 113 2HB ALA 113 8.053 5.903 1.366 507 3HB ALA 113 3HB ALA 113 8.247 7.552 2.006 508 H GLY 114 H GLY 114 9.982 4.269 3.081 509 1HA GLY 114 1HA GLY 114 10.859 3.834 5.214 510 2HA GLY 114 2HA GLY 114 10.798 5.541 5.601 511 H ALA 115 H ALA 115 8.463 2.990 4.449 512 HA ALA 115 HA ALA 115 6.674 3.868 6.606 513 1HB ALA 115 1HB ALA 115 5.818 3.104 3.787 514 2HB ALA 115 2HB ALA 115 4.793 3.742 5.096 515 3HB ALA 115 3HB ALA 115 6.023 4.784 4.343 516 H GLU 116 H GLU 116 4.964 2.130 7.071 517 HA GLU 116 HA GLU 116 6.359 -0.419 6.956 518 1HB GLU 116 1HB GLU 116 5.828 0.533 9.211 519 2HB GLU 116 2HB GLU 116 4.121 0.497 8.817 520 1HG GLU 116 1HG GLU 116 4.596 -1.504 10.095 521 2HG GLU 116 2HG GLU 116 4.317 -2.007 8.439 522 H VAL 117 H VAL 117 5.585 -2.000 5.627 523 HA VAL 117 HA VAL 117 2.818 -1.687 4.696 524 HB VAL 117 HB VAL 117 5.163 -3.038 3.347 525 1HG1 VAL 117 1HG1 VAL 117 3.155 -4.071 2.598 526 2HG1 VAL 117 2HG1 VAL 117 2.310 -2.508 2.475 527 3HG1 VAL 117 3HG1 VAL 117 3.619 -2.904 1.336 528 1HG2 VAL 117 1HG2 VAL 117 5.766 -0.827 3.139 529 2HG2 VAL 117 2HG2 VAL 117 4.704 -0.998 1.721 530 3HG2 VAL 117 3HG2 VAL 117 4.086 -0.244 3.210 531 H GLU 118 H GLU 118 1.692 -3.797 4.181 532 HA GLU 118 HA GLU 118 2.741 -5.949 5.839 533 1HB GLU 118 1HB GLU 118 0.984 -5.020 7.180 534 2HB GLU 118 2HB GLU 118 -0.080 -4.820 5.801 535 1HG GLU 118 1HG GLU 118 -0.522 -7.157 5.639 536 2HG GLU 118 2HG GLU 118 0.899 -7.588 6.571 537 H VAL 119 H VAL 119 2.762 -7.943 4.834 538 HA VAL 119 HA VAL 119 1.254 -8.123 2.318 539 HB VAL 119 HB VAL 119 3.874 -9.461 3.006 540 1HG1 VAL 119 1HG1 VAL 119 3.957 -9.919 0.565 541 2HG1 VAL 119 2HG1 VAL 119 2.578 -10.706 1.372 542 3HG1 VAL 119 3HG1 VAL 119 2.322 -9.232 0.406 543 1HG2 VAL 119 1HG2 VAL 119 3.280 -6.869 1.580 544 2HG2 VAL 119 2HG2 VAL 119 4.474 -7.204 2.858 545 3HG2 VAL 119 3HG2 VAL 119 4.742 -7.814 1.206 546 H LYS 120 H LYS 120 -0.472 -9.440 2.566 547 HA LYS 120 HA LYS 120 -0.036 -11.921 4.042 548 1HB LYS 120 1HB LYS 120 -2.110 -11.681 5.266 549 2HB LYS 120 2HB LYS 120 -1.050 -10.334 5.625 550 1HG LYS 120 1HG LYS 120 -2.983 -9.134 5.204 551 2HG LYS 120 2HG LYS 120 -2.365 -9.203 3.565 552 1HD LYS 120 1HD LYS 120 -3.833 -11.008 2.963 553 2HD LYS 120 2HD LYS 120 -4.201 -11.379 4.636 554 1HE LYS 120 1HE LYS 120 -5.376 -9.182 4.870 555 2HE LYS 120 2HE LYS 120 -4.996 -8.798 3.202 556 1HZ LYS 120 1HZ LYS 120 -7.133 -9.699 3.221 557 2HZ LYS 120 2HZ LYS 120 -6.192 -10.895 2.633 558 3HZ LYS 120 3HZ LYS 120 -6.721 -10.958 4.176 Start of MODEL 3 1 1H ALA 47 H ALA 47 2.873 -27.732 1.932 2 HA ALA 47 HA ALA 47 1.144 -28.873 0.102 3 1HB ALA 47 1HB ALA 47 -0.520 -28.712 1.936 4 2HB ALA 47 2HB ALA 47 -0.198 -26.966 2.059 5 3HB ALA 47 3HB ALA 47 -0.924 -27.634 0.579 6 H ALA 48 H ALA 48 2.816 -27.970 -1.210 7 HA ALA 48 HA ALA 48 3.307 -25.139 -1.046 8 1HB ALA 48 1HB ALA 48 4.958 -27.067 -1.630 9 2HB ALA 48 2HB ALA 48 4.222 -26.999 -3.250 10 3HB ALA 48 3HB ALA 48 5.038 -25.565 -2.582 11 H GLU 49 H GLU 49 0.858 -24.743 -1.325 12 HA GLU 49 HA GLU 49 -0.274 -25.274 -3.827 13 1HB GLU 49 1HB GLU 49 -0.971 -23.531 -1.465 14 2HB GLU 49 2HB GLU 49 -1.843 -23.286 -2.964 15 1HG GLU 49 1HG GLU 49 -2.673 -25.545 -2.983 16 2HG GLU 49 2HG GLU 49 -1.520 -26.067 -1.772 17 H GLU 50 H GLU 50 -1.177 -23.339 -5.235 18 HA GLU 50 HA GLU 50 1.150 -21.849 -5.991 19 1HB GLU 50 1HB GLU 50 -1.205 -22.877 -7.300 20 2HB GLU 50 2HB GLU 50 -1.143 -21.146 -7.578 21 1HG GLU 50 1HG GLU 50 0.151 -22.039 -9.354 22 2HG GLU 50 2HG GLU 50 1.355 -21.494 -8.202 23 H LYS 51 H LYS 51 1.589 -19.913 -5.033 24 HA LYS 51 HA LYS 51 -0.707 -18.343 -4.105 25 1HB LYS 51 1HB LYS 51 2.190 -18.384 -3.216 26 2HB LYS 51 2HB LYS 51 1.021 -17.197 -2.673 27 1HG LYS 51 1HG LYS 51 0.211 -18.650 -1.135 28 2HG LYS 51 2HG LYS 51 -0.188 -19.802 -2.395 29 1HD LYS 51 1HD LYS 51 2.161 -20.669 -2.346 30 2HD LYS 51 2HD LYS 51 2.561 -19.517 -1.088 31 1HE LYS 51 1HE LYS 51 0.493 -20.615 0.183 32 2HE LYS 51 2HE LYS 51 0.761 -21.948 -0.924 33 1HZ LYS 51 1HZ LYS 51 2.011 -21.896 1.278 34 2HZ LYS 51 2HZ LYS 51 2.837 -22.325 -0.064 35 3HZ LYS 51 3HZ LYS 51 3.008 -20.824 0.557 36 H THR 52 H THR 52 -1.332 -17.187 -5.916 37 HA THR 52 HA THR 52 0.751 -15.417 -7.013 38 HB THR 52 HB THR 52 -0.147 -15.792 -9.222 39 HG1 THR 52 1HG THR 52 -2.195 -17.290 -7.745 40 1HG2 THR 52 1HG2 THR 52 1.109 -17.830 -8.215 41 2HG2 THR 52 2HG2 THR 52 -0.500 -18.525 -7.905 42 3HG2 THR 52 3HG2 THR 52 0.012 -18.177 -9.574 43 H GLU 53 H GLU 53 -1.454 -15.297 -4.806 44 HA GLU 53 HA GLU 53 -2.529 -12.796 -5.822 45 1HB GLU 53 1HB GLU 53 -4.074 -15.094 -4.589 46 2HB GLU 53 2HB GLU 53 -4.669 -13.452 -4.446 47 1HG GLU 53 1HG GLU 53 -5.290 -13.352 -6.648 48 2HG GLU 53 2HG GLU 53 -3.813 -14.115 -7.199 49 H PHE 54 H PHE 54 -1.194 -11.477 -4.567 50 HA PHE 54 HA PHE 54 -1.285 -11.983 -1.678 51 1HB PHE 54 1HB PHE 54 0.666 -10.396 -3.453 52 2HB PHE 54 2HB PHE 54 0.858 -10.623 -1.725 53 HD1 PHE 54 1HD PHE 54 1.004 -12.286 -4.998 54 HD2 PHE 54 2HD PHE 54 1.697 -12.689 -0.831 55 HE1 PHE 54 1HE PHE 54 2.310 -14.389 -5.418 56 HE2 PHE 54 2HE PHE 54 3.003 -14.791 -1.251 57 HZ PHE 54 HZ PHE 54 3.293 -15.616 -3.539 58 H ASP 55 H ASP 55 -1.708 -10.228 -0.246 59 HA ASP 55 HA ASP 55 -2.969 -7.992 -1.618 60 1HB ASP 55 1HB ASP 55 -3.326 -9.000 1.246 61 2HB ASP 55 2HB ASP 55 -4.200 -7.657 0.538 62 H VAL 56 H VAL 56 -2.373 -5.826 -0.967 63 HA VAL 56 HA VAL 56 -0.054 -5.715 0.836 64 HB VAL 56 HB VAL 56 -0.743 -3.939 -1.514 65 1HG1 VAL 56 1HG1 VAL 56 1.057 -2.629 -1.021 66 2HG1 VAL 56 2HG1 VAL 56 0.661 -3.152 0.632 67 3HG1 VAL 56 3HG1 VAL 56 1.966 -3.960 -0.267 68 1HG2 VAL 56 1HG2 VAL 56 1.316 -4.986 -2.529 69 2HG2 VAL 56 2HG2 VAL 56 1.268 -6.190 -1.219 70 3HG2 VAL 56 3HG2 VAL 56 -0.083 -6.073 -2.373 71 H ILE 57 H ILE 57 -0.600 -4.888 2.783 72 HA ILE 57 HA ILE 57 -2.788 -2.933 2.818 73 HB ILE 57 HB ILE 57 -1.760 -4.509 5.165 74 1HG1 ILE 57 1HG1 ILE 57 -2.396 -6.106 3.407 75 2HG1 ILE 57 2HG1 ILE 57 -3.482 -6.168 4.782 76 1HG2 ILE 57 1HG2 ILE 57 -3.966 -4.021 6.097 77 2HG2 ILE 57 2HG2 ILE 57 -3.104 -2.526 5.663 78 3HG2 ILE 57 3HG2 ILE 57 -4.407 -3.137 4.616 79 1HD1 ILE 57 1HD1 ILE 57 -5.166 -4.842 3.601 80 2HD1 ILE 57 2HD1 ILE 57 -4.046 -4.566 2.245 81 3HD1 ILE 57 3HD1 ILE 57 -4.674 -6.201 2.561 82 H LEU 58 H LEU 58 -2.523 -0.952 3.936 83 HA LEU 58 HA LEU 58 0.282 -0.294 4.453 84 1HB LEU 58 1HB LEU 58 -0.487 1.198 2.889 85 2HB LEU 58 2HB LEU 58 -2.109 1.245 3.551 86 HG LEU 58 HG LEU 58 -1.228 2.543 5.502 87 1HD1 LEU 58 1HD1 LEU 58 1.328 2.578 3.875 88 2HD1 LEU 58 2HD1 LEU 58 0.992 3.614 5.283 89 3HD1 LEU 58 3HD1 LEU 58 1.085 1.848 5.481 90 1HD2 LEU 58 1HD2 LEU 58 -1.715 3.401 2.828 91 2HD2 LEU 58 2HD2 LEU 58 -1.985 4.278 4.352 92 3HD2 LEU 58 3HD2 LEU 58 -0.423 4.415 3.511 93 H LYS 59 H LYS 59 0.944 -0.360 6.528 94 HA LYS 59 HA LYS 59 -1.122 -0.385 8.573 95 1HB LYS 59 1HB LYS 59 1.679 -1.392 8.333 96 2HB LYS 59 2HB LYS 59 1.118 -0.942 9.931 97 1HG LYS 59 1HG LYS 59 -1.045 -2.390 8.847 98 2HG LYS 59 2HG LYS 59 0.366 -3.258 8.274 99 1HD LYS 59 1HD LYS 59 0.458 -2.430 11.146 100 2HD LYS 59 2HD LYS 59 -0.761 -3.626 10.753 101 1HE LYS 59 1HE LYS 59 1.232 -4.856 11.328 102 2HE LYS 59 2HE LYS 59 1.060 -4.988 9.588 103 1HZ LYS 59 1HZ LYS 59 3.299 -4.326 10.545 104 2HZ LYS 59 2HZ LYS 59 2.754 -3.493 9.250 105 3HZ LYS 59 3HZ LYS 59 2.659 -2.836 10.742 106 H ALA 60 H ALA 60 2.094 1.204 7.972 107 HA ALA 60 HA ALA 60 1.026 3.553 9.358 108 1HB ALA 60 1HB ALA 60 3.872 2.699 9.824 109 2HB ALA 60 2HB ALA 60 2.788 3.655 10.862 110 3HB ALA 60 3HB ALA 60 2.574 1.894 10.737 111 H ALA 61 H ALA 61 1.365 5.404 8.211 112 HA ALA 61 HA ALA 61 2.663 5.295 5.712 113 1HB ALA 61 1HB ALA 61 2.084 7.625 5.580 114 2HB ALA 61 2HB ALA 61 0.751 6.804 6.427 115 3HB ALA 61 3HB ALA 61 1.941 7.754 7.349 116 H GLY 62 H GLY 62 3.706 5.960 9.023 117 1HA GLY 62 1HA GLY 62 5.823 6.131 9.826 118 2HA GLY 62 2HA GLY 62 6.458 6.036 8.195 119 H ALA 63 H ALA 63 7.964 7.781 8.709 120 HA ALA 63 HA ALA 63 6.760 10.349 9.349 121 1HB ALA 63 1HB ALA 63 9.380 10.878 9.244 122 2HB ALA 63 2HB ALA 63 8.641 10.087 10.658 123 3HB ALA 63 3HB ALA 63 9.491 9.112 9.434 124 H ASN 64 H ASN 64 6.038 9.224 6.801 125 HA ASN 64 HA ASN 64 7.045 11.347 5.168 126 1HB ASN 64 1HB ASN 64 8.508 9.121 4.919 127 2HB ASN 64 2HB ASN 64 7.148 8.559 3.968 128 1HD2 ASN 64 1HD2 ASN 64 9.881 9.140 3.171 129 2HD2 ASN 64 2HD2 ASN 64 9.826 10.342 1.924 130 H LYS 65 H LYS 65 4.550 11.433 6.013 131 HA LYS 65 HA LYS 65 2.703 9.693 4.811 132 1HB LYS 65 1HB LYS 65 2.603 11.506 6.815 133 2HB LYS 65 2HB LYS 65 1.856 12.447 5.540 134 1HG LYS 65 1HG LYS 65 0.385 10.342 5.084 135 2HG LYS 65 2HG LYS 65 0.969 9.745 6.625 136 1HD LYS 65 1HD LYS 65 -0.346 12.479 6.300 137 2HD LYS 65 2HD LYS 65 -1.249 11.032 6.697 138 1HE LYS 65 1HE LYS 65 -0.791 11.536 8.874 139 2HE LYS 65 2HE LYS 65 0.818 10.918 8.551 140 1HZ LYS 65 1HZ LYS 65 1.216 13.013 9.323 141 2HZ LYS 65 2HZ LYS 65 1.229 13.290 7.713 142 3HZ LYS 65 3HZ LYS 65 -0.085 13.686 8.600 143 H VAL 66 H VAL 66 4.465 12.533 3.683 144 HA VAL 66 HA VAL 66 2.670 13.301 1.666 145 HB VAL 66 HB VAL 66 5.651 13.660 2.013 146 1HG1 VAL 66 1HG1 VAL 66 5.295 15.603 0.397 147 2HG1 VAL 66 2HG1 VAL 66 5.284 13.969 -0.308 148 3HG1 VAL 66 3HG1 VAL 66 3.751 14.829 -0.034 149 1HG2 VAL 66 1HG2 VAL 66 5.124 15.238 3.495 150 2HG2 VAL 66 2HG2 VAL 66 4.118 16.066 2.283 151 3HG2 VAL 66 3HG2 VAL 66 3.403 14.812 3.325 152 H ALA 67 H ALA 67 5.809 11.471 1.415 153 HA ALA 67 HA ALA 67 5.522 10.837 -1.257 154 1HB ALA 67 1HB ALA 67 6.915 9.280 0.960 155 2HB ALA 67 2HB ALA 67 7.234 9.128 -0.784 156 3HB ALA 67 3HB ALA 67 7.608 10.650 0.059 157 H VAL 68 H VAL 68 4.217 9.274 1.690 158 HA VAL 68 HA VAL 68 3.426 6.881 0.499 159 HB VAL 68 HB VAL 68 2.566 8.462 2.904 160 1HG1 VAL 68 1HG1 VAL 68 1.333 5.889 1.879 161 2HG1 VAL 68 2HG1 VAL 68 1.205 6.436 3.568 162 3HG1 VAL 68 3HG1 VAL 68 0.515 7.423 2.259 163 1HG2 VAL 68 1HG2 VAL 68 3.791 5.696 2.714 164 2HG2 VAL 68 2HG2 VAL 68 4.754 7.190 2.812 165 3HG2 VAL 68 3HG2 VAL 68 3.662 6.745 4.147 166 H ILE 69 H ILE 69 1.497 9.889 1.191 167 HA ILE 69 HA ILE 69 -0.842 9.049 0.039 168 HB ILE 69 HB ILE 69 0.418 11.751 0.400 169 1HG1 ILE 69 1HG1 ILE 69 -2.082 10.706 1.709 170 2HG1 ILE 69 2HG1 ILE 69 -0.508 10.204 2.293 171 1HG2 ILE 69 1HG2 ILE 69 -0.904 12.216 -1.461 172 2HG2 ILE 69 2HG2 ILE 69 -2.183 11.082 -0.964 173 3HG2 ILE 69 3HG2 ILE 69 -1.959 12.614 -0.084 174 1HD1 ILE 69 1HD1 ILE 69 0.108 12.718 2.370 175 2HD1 ILE 69 2HD1 ILE 69 -1.631 13.028 2.148 176 3HD1 ILE 69 3HD1 ILE 69 -1.062 12.139 3.582 177 H LYS 70 H LYS 70 2.140 10.299 -1.485 178 HA LYS 70 HA LYS 70 1.008 10.681 -4.034 179 1HB LYS 70 1HB LYS 70 3.831 10.342 -3.016 180 2HB LYS 70 2HB LYS 70 3.483 10.529 -4.723 181 1HG LYS 70 1HG LYS 70 2.367 12.686 -4.316 182 2HG LYS 70 2HG LYS 70 2.520 12.482 -2.581 183 1HD LYS 70 1HD LYS 70 4.391 13.797 -2.929 184 2HD LYS 70 2HD LYS 70 5.129 12.230 -3.194 185 1HE LYS 70 1HE LYS 70 3.839 13.520 -5.581 186 2HE LYS 70 2HE LYS 70 5.308 14.269 -4.988 187 1HZ LYS 70 1HZ LYS 70 5.979 12.651 -6.485 188 2HZ LYS 70 2HZ LYS 70 6.257 11.959 -5.032 189 3HZ LYS 70 3HZ LYS 70 4.955 11.515 -5.911 190 H ALA 71 H ALA 71 2.881 7.950 -2.555 191 HA ALA 71 HA ALA 71 2.854 6.310 -4.784 192 1HB ALA 71 1HB ALA 71 2.630 5.255 -1.962 193 2HB ALA 71 2HB ALA 71 3.616 4.651 -3.314 194 3HB ALA 71 3HB ALA 71 4.078 6.152 -2.477 195 H VAL 72 H VAL 72 0.420 6.822 -2.181 196 HA VAL 72 HA VAL 72 -1.208 4.658 -2.817 197 HB VAL 72 HB VAL 72 -1.803 7.347 -1.574 198 1HG1 VAL 72 1HG1 VAL 72 -3.872 6.379 -2.445 199 2HG1 VAL 72 2HG1 VAL 72 -3.520 4.842 -1.621 200 3HG1 VAL 72 3HG1 VAL 72 -3.847 6.309 -0.667 201 1HG2 VAL 72 1HG2 VAL 72 -0.455 4.977 -0.638 202 2HG2 VAL 72 2HG2 VAL 72 -0.722 6.528 0.197 203 3HG2 VAL 72 3HG2 VAL 72 -1.943 5.235 0.304 204 H ARG 73 H ARG 73 -2.029 8.128 -3.501 205 HA ARG 73 HA ARG 73 -4.003 7.573 -5.248 206 1HB ARG 73 1HB ARG 73 -3.781 9.889 -6.013 207 2HB ARG 73 2HB ARG 73 -3.419 9.841 -4.300 208 1HG ARG 73 1HG ARG 73 -0.940 9.657 -4.922 209 2HG ARG 73 2HG ARG 73 -1.400 9.951 -6.588 210 1HD ARG 73 1HD ARG 73 -2.628 12.080 -5.647 211 2HD ARG 73 2HD ARG 73 -1.655 11.829 -4.211 212 HE ARG 73 HE ARG 73 0.241 12.543 -5.389 213 1HH1 ARG 73 2HH2 ARG 73 -2.314 11.752 -7.675 214 2HH1 ARG 73 1HH2 ARG 73 -1.469 12.405 -9.040 215 1HH2 ARG 73 2HH1 ARG 73 1.364 13.383 -7.192 216 2HH2 ARG 73 1HH1 ARG 73 0.646 13.321 -8.767 217 H GLY 74 H GLY 74 -0.484 7.542 -5.756 218 1HA GLY 74 1HA GLY 74 -0.536 7.733 -8.599 219 2HA GLY 74 2HA GLY 74 0.805 7.242 -7.584 220 H ALA 75 H ALA 75 -0.879 5.101 -6.218 221 HA ALA 75 HA ALA 75 -0.369 3.096 -8.251 222 1HB ALA 75 1HB ALA 75 -1.014 2.961 -5.280 223 2HB ALA 75 2HB ALA 75 -0.703 1.541 -6.307 224 3HB ALA 75 3HB ALA 75 0.579 2.748 -6.042 225 H THR 76 H THR 76 -3.007 4.876 -6.795 226 HA THR 76 HA THR 76 -4.909 2.957 -7.969 227 HB THR 76 HB THR 76 -6.453 3.718 -6.148 228 HG1 THR 76 1HG THR 76 -5.257 5.099 -4.502 229 1HG2 THR 76 1HG2 THR 76 -4.897 1.807 -5.604 230 2HG2 THR 76 2HG2 THR 76 -3.689 2.988 -5.044 231 3HG2 THR 76 3HG2 THR 76 -5.237 2.821 -4.182 232 H GLY 77 H GLY 77 -5.010 6.399 -6.841 233 1HA GLY 77 1HA GLY 77 -5.060 8.114 -8.599 234 2HA GLY 77 2HA GLY 77 -6.134 7.061 -9.499 235 H LEU 78 H LEU 78 -6.566 6.938 -6.040 236 HA LEU 78 HA LEU 78 -9.177 8.023 -6.256 237 1HB LEU 78 1HB LEU 78 -7.473 7.131 -3.935 238 2HB LEU 78 2HB LEU 78 -9.097 7.758 -3.736 239 HG LEU 78 HG LEU 78 -8.558 5.424 -5.567 240 1HD1 LEU 78 1HD1 LEU 78 -7.587 4.632 -3.575 241 2HD1 LEU 78 2HD1 LEU 78 -8.839 5.385 -2.560 242 3HD1 LEU 78 3HD1 LEU 78 -9.244 3.983 -3.578 243 1HD2 LEU 78 1HD2 LEU 78 -11.006 6.352 -4.041 244 2HD2 LEU 78 2HD2 LEU 78 -10.727 6.470 -5.795 245 3HD2 LEU 78 3HD2 LEU 78 -10.905 4.874 -5.026 246 H GLY 79 H GLY 79 -10.014 9.928 -5.145 247 1HA GLY 79 1HA GLY 79 -8.645 12.260 -5.685 248 2HA GLY 79 2HA GLY 79 -9.976 12.096 -4.556 249 H LEU 80 H LEU 80 -7.296 13.652 -4.532 250 HA LEU 80 HA LEU 80 -5.483 12.639 -2.789 251 1HB LEU 80 1HB LEU 80 -5.749 14.940 -4.070 252 2HB LEU 80 2HB LEU 80 -6.307 15.493 -2.504 253 HG LEU 80 HG LEU 80 -3.684 14.033 -2.789 254 1HD1 LEU 80 1HD1 LEU 80 -3.133 15.702 -4.238 255 2HD1 LEU 80 2HD1 LEU 80 -4.331 16.837 -3.571 256 3HD1 LEU 80 3HD1 LEU 80 -2.805 16.540 -2.703 257 1HD2 LEU 80 1HD2 LEU 80 -4.610 14.289 -0.533 258 2HD2 LEU 80 2HD2 LEU 80 -3.109 15.222 -0.742 259 3HD2 LEU 80 3HD2 LEU 80 -4.683 16.052 -0.763 260 H LYS 81 H LYS 81 -8.643 14.207 -2.024 261 HA LYS 81 HA LYS 81 -8.262 14.265 0.740 262 1HB LYS 81 1HB LYS 81 -9.942 15.594 -0.472 263 2HB LYS 81 2HB LYS 81 -10.829 14.136 -0.871 264 1HG LYS 81 1HG LYS 81 -10.199 14.495 2.031 265 2HG LYS 81 2HG LYS 81 -11.316 15.665 1.358 266 1HD LYS 81 1HD LYS 81 -11.711 12.704 0.814 267 2HD LYS 81 2HD LYS 81 -12.249 13.395 2.332 268 1HE LYS 81 1HE LYS 81 -14.176 13.845 1.173 269 2HE LYS 81 2HE LYS 81 -13.290 15.241 0.592 270 1HZ LYS 81 1HZ LYS 81 -12.649 12.978 -0.937 271 2HZ LYS 81 2HZ LYS 81 -14.270 13.177 -0.904 272 3HZ LYS 81 3HZ LYS 81 -13.309 14.391 -1.423 273 H GLU 82 H GLU 82 -9.574 11.757 -1.483 274 HA GLU 82 HA GLU 82 -10.499 10.102 0.554 275 1HB GLU 82 1HB GLU 82 -9.648 9.483 -2.307 276 2HB GLU 82 2HB GLU 82 -10.452 8.328 -1.264 277 1HG GLU 82 1HG GLU 82 -11.876 10.890 -1.260 278 2HG GLU 82 2HG GLU 82 -11.681 10.294 -2.895 279 H ALA 83 H ALA 83 -7.354 10.342 -1.186 280 HA ALA 83 HA ALA 83 -6.225 8.020 -0.095 281 1HB ALA 83 1HB ALA 83 -5.158 10.565 -1.337 282 2HB ALA 83 2HB ALA 83 -4.057 9.318 -0.703 283 3HB ALA 83 3HB ALA 83 -5.194 8.919 -2.013 284 H LYS 84 H LYS 84 -6.338 11.459 0.983 285 HA LYS 84 HA LYS 84 -4.553 11.204 3.096 286 1HB LYS 84 1HB LYS 84 -5.333 13.341 2.155 287 2HB LYS 84 2HB LYS 84 -6.938 13.053 2.795 288 1HG LYS 84 1HG LYS 84 -6.037 14.361 4.505 289 2HG LYS 84 2HG LYS 84 -5.666 12.758 5.109 290 1HD LYS 84 1HD LYS 84 -3.564 13.723 5.313 291 2HD LYS 84 2HD LYS 84 -3.421 13.090 3.684 292 1HE LYS 84 1HE LYS 84 -4.155 15.321 2.775 293 2HE LYS 84 2HE LYS 84 -4.240 15.945 4.409 294 1HZ LYS 84 1HZ LYS 84 -1.765 14.746 4.077 295 2HZ LYS 84 2HZ LYS 84 -2.007 15.719 2.788 296 3HZ LYS 84 3HZ LYS 84 -2.093 16.330 4.301 297 H ASP 85 H ASP 85 -8.177 10.939 3.066 298 HA ASP 85 HA ASP 85 -8.450 10.400 5.722 299 1HB ASP 85 1HB ASP 85 -10.041 9.422 3.310 300 2HB ASP 85 2HB ASP 85 -10.573 9.146 4.957 301 H LEU 86 H LEU 86 -8.051 8.153 2.888 302 HA LEU 86 HA LEU 86 -8.316 5.753 4.149 303 1HB LEU 86 1HB LEU 86 -8.139 6.001 1.762 304 2HB LEU 86 2HB LEU 86 -6.486 6.567 1.892 305 HG LEU 86 HG LEU 86 -6.229 4.159 3.102 306 1HD1 LEU 86 1HD1 LEU 86 -7.491 2.485 1.786 307 2HD1 LEU 86 2HD1 LEU 86 -8.533 3.495 2.817 308 3HD1 LEU 86 3HD1 LEU 86 -8.444 3.806 1.066 309 1HD2 LEU 86 1HD2 LEU 86 -5.271 3.351 1.021 310 2HD2 LEU 86 2HD2 LEU 86 -6.126 4.618 0.109 311 3HD2 LEU 86 3HD2 LEU 86 -4.854 5.062 1.274 312 H VAL 87 H VAL 87 -5.215 7.594 3.678 313 HA VAL 87 HA VAL 87 -3.661 5.764 5.081 314 HB VAL 87 HB VAL 87 -3.340 8.710 4.502 315 1HG1 VAL 87 1HG1 VAL 87 -1.778 8.616 6.149 316 2HG1 VAL 87 2HG1 VAL 87 -1.622 6.845 6.055 317 3HG1 VAL 87 3HG1 VAL 87 -0.799 7.876 4.860 318 1HG2 VAL 87 1HG2 VAL 87 -3.415 6.779 2.687 319 2HG2 VAL 87 2HG2 VAL 87 -2.242 8.113 2.571 320 3HG2 VAL 87 3HG2 VAL 87 -1.732 6.534 3.214 321 H GLU 88 H GLU 88 -5.590 8.600 6.142 322 HA GLU 88 HA GLU 88 -4.454 8.620 8.716 323 1HB GLU 88 1HB GLU 88 -6.888 9.921 7.455 324 2HB GLU 88 2HB GLU 88 -6.577 10.086 9.172 325 1HG GLU 88 1HG GLU 88 -4.080 10.656 8.113 326 2HG GLU 88 2HG GLU 88 -5.134 11.289 6.863 327 H SER 89 H SER 89 -6.708 6.554 7.155 328 HA SER 89 HA SER 89 -7.957 5.899 9.702 329 1HB SER 89 1HB SER 89 -9.788 4.972 8.465 330 2HB SER 89 2HB SER 89 -9.409 6.500 7.694 331 HG SER 89 HG SER 89 -9.086 3.854 6.732 332 H ALA 90 H ALA 90 -5.185 5.129 8.547 333 HA ALA 90 HA ALA 90 -5.074 2.532 7.721 334 1HB ALA 90 1HB ALA 90 -2.834 2.556 8.984 335 2HB ALA 90 2HB ALA 90 -3.089 3.840 7.779 336 3HB ALA 90 3HB ALA 90 -3.278 4.196 9.513 337 HA PRO 91 HA PRO 91 -3.819 0.913 8.125 338 1HB PRO 91 1HB PRO 91 -4.352 -1.762 7.952 339 2HB PRO 91 2HB PRO 91 -3.050 -1.106 8.922 340 1HG PRO 91 1HG PRO 91 -5.658 -2.182 9.803 341 2HG PRO 91 2HG PRO 91 -4.204 -1.923 10.745 342 1HD PRO 91 1HD PRO 91 -6.559 -0.288 10.744 343 2HD PRO 91 2HD PRO 91 -5.061 0.033 11.596 344 H ALA 92 H ALA 92 -4.100 0.298 5.874 345 HA ALA 92 HA ALA 92 -6.943 0.168 5.189 346 1HB ALA 92 1HB ALA 92 -5.762 1.845 3.267 347 2HB ALA 92 2HB ALA 92 -6.895 2.328 4.552 348 3HB ALA 92 3HB ALA 92 -5.139 2.435 4.828 349 H ALA 93 H ALA 93 -7.305 -0.661 2.979 350 HA ALA 93 HA ALA 93 -5.186 -2.514 2.251 351 1HB ALA 93 1HB ALA 93 -7.517 -3.312 2.574 352 2HB ALA 93 2HB ALA 93 -8.053 -2.233 1.264 353 3HB ALA 93 3HB ALA 93 -6.944 -3.579 0.910 354 H LEU 94 H LEU 94 -3.672 -1.831 0.824 355 HA LEU 94 HA LEU 94 -4.285 0.374 -0.923 356 1HB LEU 94 1HB LEU 94 -1.888 -1.069 0.018 357 2HB LEU 94 2HB LEU 94 -1.799 -0.468 -1.626 358 HG LEU 94 HG LEU 94 -2.513 1.259 0.758 359 1HD1 LEU 94 1HD1 LEU 94 -0.224 0.285 0.933 360 2HD1 LEU 94 2HD1 LEU 94 0.177 1.060 -0.618 361 3HD1 LEU 94 3HD1 LEU 94 -0.251 2.060 0.791 362 1HD2 LEU 94 1HD2 LEU 94 -3.343 2.106 -1.378 363 2HD2 LEU 94 2HD2 LEU 94 -2.035 3.130 -0.740 364 3HD2 LEU 94 3HD2 LEU 94 -1.706 1.994 -2.069 365 H LYS 95 H LYS 95 -3.513 -3.149 -1.181 366 HA LYS 95 HA LYS 95 -4.928 -3.162 -3.716 367 1HB LYS 95 1HB LYS 95 -2.335 -4.600 -3.785 368 2HB LYS 95 2HB LYS 95 -3.205 -3.775 -5.062 369 1HG LYS 95 1HG LYS 95 -2.544 -1.568 -4.099 370 2HG LYS 95 2HG LYS 95 -1.697 -2.380 -2.798 371 1HD LYS 95 1HD LYS 95 0.085 -2.053 -4.250 372 2HD LYS 95 2HD LYS 95 -0.448 -3.624 -4.814 373 1HE LYS 95 1HE LYS 95 -1.884 -1.355 -6.087 374 2HE LYS 95 2HE LYS 95 -0.161 -1.362 -6.409 375 1HZ LYS 95 1HZ LYS 95 -1.632 -2.705 -7.921 376 2HZ LYS 95 2HZ LYS 95 -0.302 -3.461 -7.351 377 3HZ LYS 95 3HZ LYS 95 -1.768 -3.790 -6.709 378 H GLU 96 H GLU 96 -5.760 -5.257 -4.263 379 HA GLU 96 HA GLU 96 -5.464 -7.169 -2.082 380 1HB GLU 96 1HB GLU 96 -8.018 -6.482 -3.602 381 2HB GLU 96 2HB GLU 96 -7.874 -7.778 -2.431 382 1HG GLU 96 1HG GLU 96 -7.068 -5.982 -0.750 383 2HG GLU 96 2HG GLU 96 -7.583 -4.786 -1.923 384 H GLY 97 H GLY 97 -4.907 -9.231 -2.711 385 1HA GLY 97 1HA GLY 97 -4.132 -10.817 -4.129 386 2HA GLY 97 2HA GLY 97 -5.745 -10.701 -4.802 387 H VAL 98 H VAL 98 -2.433 -9.265 -4.997 388 HA VAL 98 HA VAL 98 -2.962 -8.819 -7.853 389 HB VAL 98 HB VAL 98 -1.298 -6.913 -7.594 390 1HG1 VAL 98 1HG1 VAL 98 -3.320 -5.596 -6.256 391 2HG1 VAL 98 2HG1 VAL 98 -3.275 -5.928 -8.005 392 3HG1 VAL 98 3HG1 VAL 98 -4.153 -7.026 -6.912 393 1HG2 VAL 98 1HG2 VAL 98 -0.955 -5.922 -5.455 394 2HG2 VAL 98 2HG2 VAL 98 -2.125 -7.018 -4.681 395 3HG2 VAL 98 3HG2 VAL 98 -0.573 -7.652 -5.280 396 H SER 99 H SER 99 -0.775 -8.674 -9.097 397 HA SER 99 HA SER 99 0.498 -11.091 -8.749 398 1HB SER 99 1HB SER 99 2.098 -10.254 -10.456 399 2HB SER 99 2HB SER 99 0.437 -9.915 -10.900 400 HG SER 99 HG SER 99 0.700 -7.748 -10.453 401 H LYS 100 H LYS 100 2.514 -11.696 -7.823 402 HA LYS 100 HA LYS 100 3.267 -10.409 -5.516 403 1HB LYS 100 1HB LYS 100 3.733 -12.795 -6.273 404 2HB LYS 100 2HB LYS 100 5.079 -12.157 -7.195 405 1HG LYS 100 1HG LYS 100 4.864 -11.333 -4.303 406 2HG LYS 100 2HG LYS 100 5.354 -12.983 -4.637 407 1HD LYS 100 1HD LYS 100 7.065 -11.902 -6.319 408 2HD LYS 100 2HD LYS 100 6.740 -10.408 -5.463 409 1HE LYS 100 1HE LYS 100 7.560 -11.293 -3.379 410 2HE LYS 100 2HE LYS 100 7.505 -12.944 -3.962 411 1HZ LYS 100 1HZ LYS 100 9.693 -11.530 -3.964 412 2HZ LYS 100 2HZ LYS 100 9.413 -12.675 -5.094 413 3HZ LYS 100 3HZ LYS 100 9.160 -11.101 -5.447 414 H ASP 101 H ASP 101 4.566 -10.084 -8.864 415 HA ASP 101 HA ASP 101 6.802 -8.664 -8.249 416 1HB ASP 101 1HB ASP 101 4.920 -8.552 -10.640 417 2HB ASP 101 2HB ASP 101 6.396 -7.609 -10.600 418 H ASP 102 H ASP 102 3.383 -7.611 -8.743 419 HA ASP 102 HA ASP 102 3.957 -4.881 -8.790 420 1HB ASP 102 1HB ASP 102 1.470 -6.547 -8.303 421 2HB ASP 102 2HB ASP 102 1.401 -4.811 -8.075 422 H ALA 103 H ALA 103 3.171 -7.295 -6.251 423 HA ALA 103 HA ALA 103 2.566 -5.492 -4.192 424 1HB ALA 103 1HB ALA 103 3.249 -7.559 -2.775 425 2HB ALA 103 2HB ALA 103 1.885 -7.733 -3.905 426 3HB ALA 103 3HB ALA 103 3.488 -8.373 -4.340 427 H GLU 104 H GLU 104 5.643 -7.120 -5.199 428 HA GLU 104 HA GLU 104 7.091 -6.003 -3.074 429 1HB GLU 104 1HB GLU 104 7.796 -7.444 -5.637 430 2HB GLU 104 2HB GLU 104 9.073 -6.689 -4.704 431 1HG GLU 104 1HG GLU 104 7.054 -8.575 -3.423 432 2HG GLU 104 2HG GLU 104 8.524 -9.168 -4.171 433 H ALA 105 H ALA 105 6.032 -4.816 -6.193 434 HA ALA 105 HA ALA 105 8.107 -2.905 -6.546 435 1HB ALA 105 1HB ALA 105 6.476 -1.994 -8.249 436 2HB ALA 105 2HB ALA 105 6.867 -3.719 -8.452 437 3HB ALA 105 3HB ALA 105 5.318 -3.238 -7.716 438 H LEU 106 H LEU 106 4.679 -2.764 -5.360 439 HA LEU 106 HA LEU 106 4.800 -0.014 -4.776 440 1HB LEU 106 1HB LEU 106 2.715 -1.102 -5.197 441 2HB LEU 106 2HB LEU 106 2.966 -2.236 -3.885 442 HG LEU 106 HG LEU 106 1.308 -0.444 -3.398 443 1HD1 LEU 106 1HD1 LEU 106 3.509 0.019 -1.444 444 2HD1 LEU 106 2HD1 LEU 106 1.806 -0.422 -1.179 445 3HD1 LEU 106 3HD1 LEU 106 2.972 -1.657 -1.708 446 1HD2 LEU 106 1HD2 LEU 106 2.018 1.826 -2.965 447 2HD2 LEU 106 2HD2 LEU 106 3.700 1.416 -3.375 448 3HD2 LEU 106 3HD2 LEU 106 2.443 1.372 -4.634 449 H LYS 107 H LYS 107 5.344 -3.004 -2.832 450 HA LYS 107 HA LYS 107 5.569 -1.787 -0.362 451 1HB LYS 107 1HB LYS 107 5.358 -4.172 -0.584 452 2HB LYS 107 2HB LYS 107 6.851 -4.287 -1.494 453 1HG LYS 107 1HG LYS 107 8.165 -3.566 0.454 454 2HG LYS 107 2HG LYS 107 6.708 -3.232 1.368 455 1HD LYS 107 1HD LYS 107 6.078 -5.651 1.257 456 2HD LYS 107 2HD LYS 107 7.528 -5.988 0.331 457 1HE LYS 107 1HE LYS 107 8.970 -5.537 2.174 458 2HE LYS 107 2HE LYS 107 7.749 -4.612 3.028 459 1HZ LYS 107 1HZ LYS 107 7.134 -7.379 2.466 460 2HZ LYS 107 2HZ LYS 107 8.266 -7.093 3.606 461 3HZ LYS 107 3HZ LYS 107 6.764 -6.476 3.775 462 H LYS 108 H LYS 108 8.109 -2.448 -2.862 463 HA LYS 108 HA LYS 108 10.263 -1.504 -1.439 464 1HB LYS 108 1HB LYS 108 9.604 -1.749 -4.357 465 2HB LYS 108 2HB LYS 108 11.064 -0.905 -3.882 466 1HG LYS 108 1HG LYS 108 11.903 -2.851 -2.682 467 2HG LYS 108 2HG LYS 108 10.367 -3.680 -2.828 468 1HD LYS 108 1HD LYS 108 10.692 -3.523 -5.396 469 2HD LYS 108 2HD LYS 108 12.339 -3.032 -5.059 470 1HE LYS 108 1HE LYS 108 11.122 -5.597 -3.936 471 2HE LYS 108 2HE LYS 108 11.981 -5.545 -5.463 472 1HZ LYS 108 1HZ LYS 108 13.499 -4.250 -3.513 473 2HZ LYS 108 2HZ LYS 108 13.064 -5.716 -2.941 474 3HZ LYS 108 3HZ LYS 108 13.866 -5.598 -4.358 475 H ALA 109 H ALA 109 7.752 0.272 -3.291 476 HA ALA 109 HA ALA 109 9.097 2.742 -3.253 477 1HB ALA 109 1HB ALA 109 7.233 2.037 -4.795 478 2HB ALA 109 2HB ALA 109 6.108 2.200 -3.426 479 3HB ALA 109 3HB ALA 109 6.983 3.626 -4.034 480 H LEU 110 H LEU 110 6.756 1.125 -1.047 481 HA LEU 110 HA LEU 110 6.337 3.344 0.609 482 1HB LEU 110 1HB LEU 110 5.943 0.394 0.797 483 2HB LEU 110 2HB LEU 110 5.868 1.334 2.275 484 HG LEU 110 HG LEU 110 3.712 0.815 0.840 485 1HD1 LEU 110 1HD1 LEU 110 2.600 2.662 1.879 486 2HD1 LEU 110 2HD1 LEU 110 3.876 2.093 2.982 487 3HD1 LEU 110 3HD1 LEU 110 4.125 3.571 2.023 488 1HD2 LEU 110 1HD2 LEU 110 4.751 1.901 -1.202 489 2HD2 LEU 110 2HD2 LEU 110 3.107 2.433 -0.773 490 3HD2 LEU 110 3HD2 LEU 110 4.507 3.462 -0.381 491 H GLU 111 H GLU 111 8.749 0.654 0.680 492 HA GLU 111 HA GLU 111 9.784 1.436 3.159 493 1HB GLU 111 1HB GLU 111 10.961 -0.284 0.935 494 2HB GLU 111 2HB GLU 111 11.683 -0.119 2.523 495 1HG GLU 111 1HG GLU 111 9.021 -0.721 3.129 496 2HG GLU 111 2HG GLU 111 9.309 -1.679 1.690 497 H GLU 112 H GLU 112 10.540 2.255 -0.241 498 HA GLU 112 HA GLU 112 13.001 3.404 0.169 499 1HB GLU 112 1HB GLU 112 10.812 3.686 -1.868 500 2HB GLU 112 2HB GLU 112 12.063 4.911 -1.871 501 1HG GLU 112 1HG GLU 112 13.814 3.135 -2.034 502 2HG GLU 112 2HG GLU 112 12.569 1.900 -2.011 503 H ALA 113 H ALA 113 9.689 4.677 0.675 504 HA ALA 113 HA ALA 113 10.675 7.336 1.202 505 1HB ALA 113 1HB ALA 113 8.184 6.068 0.524 506 2HB ALA 113 2HB ALA 113 7.966 6.976 2.040 507 3HB ALA 113 3HB ALA 113 8.567 7.804 0.585 508 H GLY 114 H GLY 114 9.797 4.370 2.954 509 1HA GLY 114 1HA GLY 114 10.747 3.963 5.079 510 2HA GLY 114 2HA GLY 114 10.691 5.679 5.436 511 H ALA 115 H ALA 115 8.347 3.105 4.358 512 HA ALA 115 HA ALA 115 6.597 3.996 6.541 513 1HB ALA 115 1HB ALA 115 5.759 3.252 3.709 514 2HB ALA 115 2HB ALA 115 4.675 3.722 5.040 515 3HB ALA 115 3HB ALA 115 5.819 4.907 4.365 516 H GLU 116 H GLU 116 4.966 2.258 7.138 517 HA GLU 116 HA GLU 116 6.376 -0.273 7.026 518 1HB GLU 116 1HB GLU 116 5.834 0.693 9.263 519 2HB GLU 116 2HB GLU 116 4.127 0.654 8.869 520 1HG GLU 116 1HG GLU 116 3.960 -1.587 9.288 521 2HG GLU 116 2HG GLU 116 5.429 -1.953 8.407 522 H VAL 117 H VAL 117 5.642 -1.884 5.709 523 HA VAL 117 HA VAL 117 2.865 -1.648 4.780 524 HB VAL 117 HB VAL 117 5.199 -3.005 3.423 525 1HG1 VAL 117 1HG1 VAL 117 3.211 -3.961 2.599 526 2HG1 VAL 117 2HG1 VAL 117 2.351 -2.402 2.610 527 3HG1 VAL 117 3HG1 VAL 117 3.630 -2.705 1.410 528 1HG2 VAL 117 1HG2 VAL 117 4.203 -0.174 3.295 529 2HG2 VAL 117 2HG2 VAL 117 5.871 -0.796 3.300 530 3HG2 VAL 117 3HG2 VAL 117 4.872 -0.938 1.833 531 H GLU 118 H GLU 118 1.853 -3.837 4.211 532 HA GLU 118 HA GLU 118 2.976 -5.969 5.816 533 1HB GLU 118 1HB GLU 118 1.349 -4.955 7.316 534 2HB GLU 118 2HB GLU 118 0.128 -4.917 6.059 535 1HG GLU 118 1HG GLU 118 1.265 -7.621 6.539 536 2HG GLU 118 2HG GLU 118 0.434 -6.950 7.928 537 H VAL 119 H VAL 119 2.848 -7.956 4.794 538 HA VAL 119 HA VAL 119 1.178 -8.025 2.376 539 HB VAL 119 HB VAL 119 3.726 -9.540 2.964 540 1HG1 VAL 119 1HG1 VAL 119 2.206 -9.203 0.357 541 2HG1 VAL 119 2HG1 VAL 119 3.672 -10.174 0.625 542 3HG1 VAL 119 3HG1 VAL 119 2.140 -10.646 1.397 543 1HG2 VAL 119 1HG2 VAL 119 3.233 -6.953 1.482 544 2HG2 VAL 119 2HG2 VAL 119 4.427 -7.306 2.753 545 3HG2 VAL 119 3HG2 VAL 119 4.636 -7.988 1.123 546 H LYS 120 H LYS 120 -0.550 -9.356 2.488 547 HA LYS 120 HA LYS 120 -0.266 -11.827 3.991 548 1HB LYS 120 1HB LYS 120 -2.229 -11.489 5.321 549 2HB LYS 120 2HB LYS 120 -1.141 -10.145 5.602 550 1HG LYS 120 1HG LYS 120 -2.932 -8.810 5.146 551 2HG LYS 120 2HG LYS 120 -2.638 -9.202 3.463 552 1HD LYS 120 1HD LYS 120 -4.165 -11.214 3.720 553 2HD LYS 120 2HD LYS 120 -4.526 -10.686 5.351 554 1HE LYS 120 1HE LYS 120 -4.912 -8.811 2.987 555 2HE LYS 120 2HE LYS 120 -6.151 -9.970 3.425 556 1HZ LYS 120 1HZ LYS 120 -6.509 -8.933 5.412 557 2HZ LYS 120 2HZ LYS 120 -5.028 -8.247 5.488 558 3HZ LYS 120 3HZ LYS 120 -6.156 -7.646 4.470 Start of MODEL 4 1 1H ALA 47 H ALA 47 -3.754 -30.880 -2.085 2 HA ALA 47 HA ALA 47 -1.557 -30.791 -3.500 3 1HB ALA 47 1HB ALA 47 -3.759 -31.165 -4.443 4 2HB ALA 47 2HB ALA 47 -4.229 -29.478 -4.129 5 3HB ALA 47 3HB ALA 47 -2.980 -29.843 -5.344 6 H ALA 48 H ALA 48 -0.391 -29.169 -4.797 7 HA ALA 48 HA ALA 48 0.114 -26.821 -3.204 8 1HB ALA 48 1HB ALA 48 1.343 -27.842 -5.797 9 2HB ALA 48 2HB ALA 48 1.972 -26.506 -4.802 10 3HB ALA 48 3HB ALA 48 1.952 -28.165 -4.156 11 H GLU 49 H GLU 49 -1.565 -25.347 -3.365 12 HA GLU 49 HA GLU 49 -2.842 -24.901 -5.843 13 1HB GLU 49 1HB GLU 49 -2.908 -23.368 -3.208 14 2HB GLU 49 2HB GLU 49 -3.941 -22.994 -4.576 15 1HG GLU 49 1HG GLU 49 -4.760 -25.417 -4.511 16 2HG GLU 49 2HG GLU 49 -3.861 -25.620 -3.020 17 H GLU 50 H GLU 50 -3.026 -22.543 -6.739 18 HA GLU 50 HA GLU 50 -0.328 -21.702 -7.212 19 1HB GLU 50 1HB GLU 50 -2.995 -21.292 -8.489 20 2HB GLU 50 2HB GLU 50 -1.867 -19.960 -8.657 21 1HG GLU 50 1HG GLU 50 -0.155 -21.475 -9.604 22 2HG GLU 50 2HG GLU 50 -1.194 -22.862 -9.337 23 H LYS 51 H LYS 51 0.659 -20.220 -5.915 24 HA LYS 51 HA LYS 51 -1.055 -18.423 -4.384 25 1HB LYS 51 1HB LYS 51 0.931 -18.063 -2.996 26 2HB LYS 51 2HB LYS 51 0.521 -19.762 -3.109 27 1HG LYS 51 1HG LYS 51 2.301 -19.132 -5.296 28 2HG LYS 51 2HG LYS 51 2.997 -18.473 -3.830 29 1HD LYS 51 1HD LYS 51 2.743 -20.695 -2.707 30 2HD LYS 51 2HD LYS 51 2.039 -21.355 -4.169 31 1HE LYS 51 1HE LYS 51 4.299 -21.999 -4.370 32 2HE LYS 51 2HE LYS 51 4.238 -20.548 -5.351 33 1HZ LYS 51 1HZ LYS 51 5.121 -20.682 -2.552 34 2HZ LYS 51 2HZ LYS 51 6.083 -20.480 -3.855 35 3HZ LYS 51 3HZ LYS 51 5.025 -19.310 -3.432 36 H THR 52 H THR 52 -1.584 -17.222 -6.418 37 HA THR 52 HA THR 52 0.577 -15.302 -6.993 38 HB THR 52 HB THR 52 -0.076 -15.338 -9.311 39 HG1 THR 52 1HG THR 52 -2.307 -16.915 -8.232 40 1HG2 THR 52 1HG2 THR 52 -0.541 -18.218 -8.380 41 2HG2 THR 52 2HG2 THR 52 -0.006 -17.690 -9.993 42 3HG2 THR 52 3HG2 THR 52 1.076 -17.505 -8.592 43 H GLU 53 H GLU 53 -1.500 -15.263 -4.869 44 HA GLU 53 HA GLU 53 -2.763 -12.805 -5.775 45 1HB GLU 53 1HB GLU 53 -4.118 -15.082 -4.266 46 2HB GLU 53 2HB GLU 53 -4.814 -13.482 -4.427 47 1HG GLU 53 1HG GLU 53 -5.745 -14.259 -6.356 48 2HG GLU 53 2HG GLU 53 -4.153 -14.056 -7.059 49 H PHE 54 H PHE 54 -1.358 -11.454 -4.620 50 HA PHE 54 HA PHE 54 -1.261 -11.948 -1.728 51 1HB PHE 54 1HB PHE 54 0.565 -10.396 -3.660 52 2HB PHE 54 2HB PHE 54 0.845 -10.510 -1.934 53 HD1 PHE 54 1HD PHE 54 0.871 -12.371 -5.100 54 HD2 PHE 54 2HD PHE 54 1.766 -12.505 -0.954 55 HE1 PHE 54 1HE PHE 54 2.198 -14.472 -5.454 56 HE2 PHE 54 2HE PHE 54 3.093 -14.605 -1.308 57 HZ PHE 54 HZ PHE 54 3.293 -15.564 -3.555 58 H ASP 55 H ASP 55 -1.670 -10.211 -0.286 59 HA ASP 55 HA ASP 55 -2.979 -7.971 -1.605 60 1HB ASP 55 1HB ASP 55 -3.283 -8.765 1.317 61 2HB ASP 55 2HB ASP 55 -4.342 -7.736 0.374 62 H VAL 56 H VAL 56 -2.444 -5.801 -0.852 63 HA VAL 56 HA VAL 56 -0.087 -5.710 0.906 64 HB VAL 56 HB VAL 56 -0.758 -3.937 -1.453 65 1HG1 VAL 56 1HG1 VAL 56 1.475 -2.977 -1.107 66 2HG1 VAL 56 2HG1 VAL 56 0.445 -2.747 0.327 67 3HG1 VAL 56 3HG1 VAL 56 1.703 -4.008 0.327 68 1HG2 VAL 56 1HG2 VAL 56 1.275 -6.168 -1.143 69 2HG2 VAL 56 2HG2 VAL 56 -0.100 -6.102 -2.271 70 3HG2 VAL 56 3HG2 VAL 56 1.275 -4.991 -2.478 71 H ILE 57 H ILE 57 -0.614 -4.852 2.843 72 HA ILE 57 HA ILE 57 -2.811 -2.907 2.874 73 HB ILE 57 HB ILE 57 -1.879 -5.017 4.760 74 1HG1 ILE 57 1HG1 ILE 57 -4.486 -5.018 5.055 75 2HG1 ILE 57 2HG1 ILE 57 -4.478 -4.089 3.569 76 1HG2 ILE 57 1HG2 ILE 57 -1.664 -3.032 6.127 77 2HG2 ILE 57 2HG2 ILE 57 -3.279 -2.473 5.628 78 3HG2 ILE 57 3HG2 ILE 57 -3.111 -3.945 6.616 79 1HD1 ILE 57 1HD1 ILE 57 -4.681 -6.517 3.104 80 2HD1 ILE 57 2HD1 ILE 57 -3.164 -5.869 2.437 81 3HD1 ILE 57 3HD1 ILE 57 -3.141 -6.809 3.947 82 H LEU 58 H LEU 58 -2.548 -0.911 3.962 83 HA LEU 58 HA LEU 58 0.253 -0.220 4.443 84 1HB LEU 58 1HB LEU 58 -0.674 1.228 2.872 85 2HB LEU 58 2HB LEU 58 -2.203 1.344 3.719 86 HG LEU 58 HG LEU 58 -0.047 2.343 5.382 87 1HD1 LEU 58 1HD1 LEU 58 0.554 4.315 4.063 88 2HD1 LEU 58 2HD1 LEU 58 1.078 2.814 3.264 89 3HD1 LEU 58 3HD1 LEU 58 -0.365 3.677 2.678 90 1HD2 LEU 58 1HD2 LEU 58 -2.497 3.674 4.195 91 2HD2 LEU 58 2HD2 LEU 58 -2.418 2.804 5.745 92 3HD2 LEU 58 3HD2 LEU 58 -1.494 4.309 5.523 93 H LYS 59 H LYS 59 0.962 -0.317 6.500 94 HA LYS 59 HA LYS 59 -1.052 -0.381 8.596 95 1HB LYS 59 1HB LYS 59 1.806 -1.276 8.348 96 2HB LYS 59 2HB LYS 59 1.126 -0.991 9.937 97 1HG LYS 59 1HG LYS 59 -0.510 -2.622 8.004 98 2HG LYS 59 2HG LYS 59 0.913 -3.377 8.691 99 1HD LYS 59 1HD LYS 59 0.093 -2.867 10.990 100 2HD LYS 59 2HD LYS 59 -1.314 -2.067 10.322 101 1HE LYS 59 1HE LYS 59 -2.049 -4.195 9.258 102 2HE LYS 59 2HE LYS 59 -0.615 -5.007 9.857 103 1HZ LYS 59 1HZ LYS 59 -2.792 -3.866 11.456 104 2HZ LYS 59 2HZ LYS 59 -2.349 -5.435 11.352 105 3HZ LYS 59 3HZ LYS 59 -1.381 -4.362 12.112 106 H ALA 60 H ALA 60 2.118 1.260 7.899 107 HA ALA 60 HA ALA 60 1.060 3.592 9.313 108 1HB ALA 60 1HB ALA 60 2.944 3.772 10.720 109 2HB ALA 60 2HB ALA 60 2.548 2.037 10.768 110 3HB ALA 60 3HB ALA 60 3.892 2.616 9.754 111 H ALA 61 H ALA 61 1.371 5.438 8.152 112 HA ALA 61 HA ALA 61 2.622 5.316 5.631 113 1HB ALA 61 1HB ALA 61 1.839 7.735 7.307 114 2HB ALA 61 2HB ALA 61 2.094 7.697 5.546 115 3HB ALA 61 3HB ALA 61 0.726 6.814 6.266 116 H GLY 62 H GLY 62 3.725 6.036 8.914 117 1HA GLY 62 1HA GLY 62 5.869 6.191 9.659 118 2HA GLY 62 2HA GLY 62 6.461 6.128 8.011 119 H ALA 63 H ALA 63 7.963 7.879 8.737 120 HA ALA 63 HA ALA 63 6.702 10.429 9.304 121 1HB ALA 63 1HB ALA 63 8.995 11.154 9.772 122 2HB ALA 63 2HB ALA 63 8.662 9.618 10.610 123 3HB ALA 63 3HB ALA 63 9.634 9.626 9.119 124 H ASN 64 H ASN 64 6.087 9.331 6.727 125 HA ASN 64 HA ASN 64 7.147 11.476 5.157 126 1HB ASN 64 1HB ASN 64 8.628 9.274 4.921 127 2HB ASN 64 2HB ASN 64 7.293 8.691 3.945 128 1HD2 ASN 64 1HD2 ASN 64 9.948 9.177 3.076 129 2HD2 ASN 64 2HD2 ASN 64 9.931 10.416 1.865 130 H LYS 65 H LYS 65 4.621 11.539 5.932 131 HA LYS 65 HA LYS 65 2.816 9.818 4.650 132 1HB LYS 65 1HB LYS 65 2.651 11.609 6.670 133 2HB LYS 65 2HB LYS 65 1.943 12.564 5.384 134 1HG LYS 65 1HG LYS 65 0.403 10.612 4.858 135 2HG LYS 65 2HG LYS 65 1.052 9.775 6.254 136 1HD LYS 65 1HD LYS 65 -0.238 12.539 6.410 137 2HD LYS 65 2HD LYS 65 -1.125 11.048 6.667 138 1HE LYS 65 1HE LYS 65 -0.492 11.158 8.847 139 2HE LYS 65 2HE LYS 65 1.129 10.752 8.321 140 1HZ LYS 65 1HZ LYS 65 0.016 13.434 8.710 141 2HZ LYS 65 2HZ LYS 65 1.269 12.747 9.500 142 3HZ LYS 65 3HZ LYS 65 1.430 13.179 7.933 143 H VAL 66 H VAL 66 4.599 12.681 3.611 144 HA VAL 66 HA VAL 66 2.856 13.483 1.568 145 HB VAL 66 HB VAL 66 5.838 13.828 1.932 146 1HG1 VAL 66 1HG1 VAL 66 5.583 15.771 0.397 147 2HG1 VAL 66 2HG1 VAL 66 5.276 14.207 -0.396 148 3HG1 VAL 66 3HG1 VAL 66 3.913 15.255 0.066 149 1HG2 VAL 66 1HG2 VAL 66 5.257 15.191 3.601 150 2HG2 VAL 66 2HG2 VAL 66 4.483 16.246 2.394 151 3HG2 VAL 66 3HG2 VAL 66 3.527 15.001 3.234 152 H ALA 67 H ALA 67 5.722 11.276 1.632 153 HA ALA 67 HA ALA 67 5.615 10.772 -1.151 154 1HB ALA 67 1HB ALA 67 6.912 9.261 1.154 155 2HB ALA 67 2HB ALA 67 7.241 8.980 -0.571 156 3HB ALA 67 3HB ALA 67 7.667 10.539 0.172 157 H VAL 68 H VAL 68 4.193 9.271 1.778 158 HA VAL 68 HA VAL 68 3.382 6.883 0.599 159 HB VAL 68 HB VAL 68 2.332 8.520 2.907 160 1HG1 VAL 68 1HG1 VAL 68 1.120 6.456 3.610 161 2HG1 VAL 68 2HG1 VAL 68 0.471 7.187 2.122 162 3HG1 VAL 68 3HG1 VAL 68 1.499 5.735 2.027 163 1HG2 VAL 68 1HG2 VAL 68 4.645 7.008 2.622 164 2HG2 VAL 68 2HG2 VAL 68 3.889 7.503 4.156 165 3HG2 VAL 68 3HG2 VAL 68 3.523 5.906 3.459 166 H ILE 69 H ILE 69 1.488 9.935 1.179 167 HA ILE 69 HA ILE 69 -0.828 9.115 -0.026 168 HB ILE 69 HB ILE 69 0.463 11.803 0.322 169 1HG1 ILE 69 1HG1 ILE 69 -2.039 10.675 1.591 170 2HG1 ILE 69 2HG1 ILE 69 -0.441 10.416 2.264 171 1HG2 ILE 69 1HG2 ILE 69 -0.839 12.083 -1.666 172 2HG2 ILE 69 2HG2 ILE 69 -2.218 11.213 -0.953 173 3HG2 ILE 69 3HG2 ILE 69 -1.740 12.800 -0.308 174 1HD1 ILE 69 1HD1 ILE 69 -1.210 12.354 3.390 175 2HD1 ILE 69 2HD1 ILE 69 -0.165 13.012 2.108 176 3HD1 ILE 69 3HD1 ILE 69 -1.934 13.035 1.912 177 H LYS 70 H LYS 70 2.207 10.312 -1.490 178 HA LYS 70 HA LYS 70 1.159 10.649 -4.078 179 1HB LYS 70 1HB LYS 70 3.922 10.350 -2.918 180 2HB LYS 70 2HB LYS 70 3.686 10.370 -4.654 181 1HG LYS 70 1HG LYS 70 2.562 12.559 -4.528 182 2HG LYS 70 2HG LYS 70 2.611 12.527 -2.778 183 1HD LYS 70 1HD LYS 70 5.151 12.432 -2.914 184 2HD LYS 70 2HD LYS 70 5.022 12.638 -4.649 185 1HE LYS 70 1HE LYS 70 3.836 14.602 -2.632 186 2HE LYS 70 2HE LYS 70 5.426 14.792 -3.345 187 1HZ LYS 70 1HZ LYS 70 4.283 14.676 -5.531 188 2HZ LYS 70 2HZ LYS 70 2.852 14.770 -4.750 189 3HZ LYS 70 3HZ LYS 70 3.921 16.001 -4.646 190 H ALA 71 H ALA 71 3.004 7.931 -2.532 191 HA ALA 71 HA ALA 71 2.991 6.249 -4.718 192 1HB ALA 71 1HB ALA 71 2.847 5.577 -1.751 193 2HB ALA 71 2HB ALA 71 3.369 4.470 -3.044 194 3HB ALA 71 3HB ALA 71 4.330 5.923 -2.673 195 H VAL 72 H VAL 72 0.494 6.853 -2.201 196 HA VAL 72 HA VAL 72 -1.182 4.731 -2.889 197 HB VAL 72 HB VAL 72 -1.720 7.441 -1.663 198 1HG1 VAL 72 1HG1 VAL 72 -3.532 5.019 -1.903 199 2HG1 VAL 72 2HG1 VAL 72 -3.820 6.379 -0.790 200 3HG1 VAL 72 3HG1 VAL 72 -3.812 6.655 -2.548 201 1HG2 VAL 72 1HG2 VAL 72 -0.922 6.591 0.240 202 2HG2 VAL 72 2HG2 VAL 72 -1.975 5.163 0.103 203 3HG2 VAL 72 3HG2 VAL 72 -0.375 5.169 -0.678 204 H ARG 73 H ARG 73 -1.694 8.247 -3.672 205 HA ARG 73 HA ARG 73 -3.669 7.901 -5.442 206 1HB ARG 73 1HB ARG 73 -1.675 9.969 -4.852 207 2HB ARG 73 2HB ARG 73 -2.062 9.970 -6.561 208 1HG ARG 73 1HG ARG 73 -4.506 10.075 -5.997 209 2HG ARG 73 2HG ARG 73 -4.104 10.105 -4.293 210 1HD ARG 73 1HD ARG 73 -3.276 12.292 -4.375 211 2HD ARG 73 2HD ARG 73 -2.768 12.157 -6.046 212 HE ARG 73 HE ARG 73 -5.402 12.982 -5.088 213 1HH1 ARG 73 2HH2 ARG 73 -3.760 11.403 -7.768 214 2HH1 ARG 73 1HH2 ARG 73 -4.897 11.948 -8.956 215 1HH2 ARG 73 2HH1 ARG 73 -6.863 13.766 -6.666 216 2HH2 ARG 73 1HH1 ARG 73 -6.704 13.257 -8.313 217 H GLY 74 H GLY 74 -0.178 7.337 -5.898 218 1HA GLY 74 1HA GLY 74 -0.204 7.313 -8.746 219 2HA GLY 74 2HA GLY 74 1.059 6.726 -7.684 220 H ALA 75 H ALA 75 -0.788 4.905 -6.159 221 HA ALA 75 HA ALA 75 -0.565 2.717 -8.039 222 1HB ALA 75 1HB ALA 75 0.337 2.475 -5.776 223 2HB ALA 75 2HB ALA 75 -1.255 2.852 -5.075 224 3HB ALA 75 3HB ALA 75 -1.025 1.352 -6.007 225 H THR 76 H THR 76 -2.978 4.881 -6.697 226 HA THR 76 HA THR 76 -5.079 3.172 -7.857 227 HB THR 76 HB THR 76 -6.534 3.971 -6.012 228 HG1 THR 76 1HG THR 76 -4.039 5.211 -5.103 229 1HG2 THR 76 1HG2 THR 76 -4.807 2.031 -5.584 230 2HG2 THR 76 2HG2 THR 76 -3.892 3.260 -4.674 231 3HG2 THR 76 3HG2 THR 76 -5.541 2.823 -4.168 232 H GLY 77 H GLY 77 -4.939 6.556 -6.591 233 1HA GLY 77 1HA GLY 77 -4.799 8.370 -8.215 234 2HA GLY 77 2HA GLY 77 -5.834 7.430 -9.273 235 H LEU 78 H LEU 78 -6.481 7.243 -5.818 236 HA LEU 78 HA LEU 78 -9.075 8.313 -6.183 237 1HB LEU 78 1HB LEU 78 -7.504 7.500 -3.739 238 2HB LEU 78 2HB LEU 78 -9.165 8.057 -3.681 239 HG LEU 78 HG LEU 78 -8.404 5.731 -5.435 240 1HD1 LEU 78 1HD1 LEU 78 -8.999 4.220 -3.547 241 2HD1 LEU 78 2HD1 LEU 78 -7.486 5.123 -3.299 242 3HD1 LEU 78 3HD1 LEU 78 -8.971 5.629 -2.461 243 1HD2 LEU 78 1HD2 LEU 78 -10.737 5.075 -5.059 244 2HD2 LEU 78 2HD2 LEU 78 -10.974 6.502 -4.023 245 3HD2 LEU 78 3HD2 LEU 78 -10.614 6.709 -5.755 246 H GLY 79 H GLY 79 -9.988 10.222 -5.139 247 1HA GLY 79 1HA GLY 79 -8.613 12.562 -5.625 248 2HA GLY 79 2HA GLY 79 -9.996 12.395 -4.562 249 H LEU 80 H LEU 80 -7.387 14.012 -4.384 250 HA LEU 80 HA LEU 80 -5.578 13.112 -2.628 251 1HB LEU 80 1HB LEU 80 -6.067 15.463 -3.745 252 2HB LEU 80 2HB LEU 80 -6.714 15.832 -2.158 253 HG LEU 80 HG LEU 80 -3.896 14.859 -2.708 254 1HD1 LEU 80 1HD1 LEU 80 -4.835 17.637 -1.947 255 2HD1 LEU 80 2HD1 LEU 80 -3.163 17.113 -2.262 256 3HD1 LEU 80 3HD1 LEU 80 -4.354 17.130 -3.585 257 1HD2 LEU 80 1HD2 LEU 80 -4.440 14.131 -0.540 258 2HD2 LEU 80 2HD2 LEU 80 -3.550 15.655 -0.311 259 3HD2 LEU 80 3HD2 LEU 80 -5.324 15.629 -0.162 260 H LYS 81 H LYS 81 -8.891 14.306 -1.828 261 HA LYS 81 HA LYS 81 -8.600 14.154 0.935 262 1HB LYS 81 1HB LYS 81 -10.396 15.367 -0.258 263 2HB LYS 81 2HB LYS 81 -11.104 13.842 -0.750 264 1HG LYS 81 1HG LYS 81 -10.581 13.924 2.151 265 2HG LYS 81 2HG LYS 81 -11.632 15.230 1.640 266 1HD LYS 81 1HD LYS 81 -12.112 12.341 0.796 267 2HD LYS 81 2HD LYS 81 -12.776 13.002 2.277 268 1HE LYS 81 1HE LYS 81 -14.013 14.721 1.025 269 2HE LYS 81 2HE LYS 81 -13.236 14.250 -0.473 270 1HZ LYS 81 1HZ LYS 81 -15.368 13.248 -0.331 271 2HZ LYS 81 2HZ LYS 81 -14.259 12.058 -0.193 272 3HZ LYS 81 3HZ LYS 81 -15.055 12.590 1.130 273 H GLU 82 H GLU 82 -10.376 11.811 -1.210 274 HA GLU 82 HA GLU 82 -10.844 9.913 0.587 275 1HB GLU 82 1HB GLU 82 -10.003 9.610 -2.323 276 2HB GLU 82 2HB GLU 82 -10.585 8.258 -1.371 277 1HG GLU 82 1HG GLU 82 -12.122 10.849 -1.884 278 2HG GLU 82 2HG GLU 82 -12.420 9.319 -2.686 279 H ALA 83 H ALA 83 -7.747 10.372 -1.227 280 HA ALA 83 HA ALA 83 -6.512 8.051 -0.290 281 1HB ALA 83 1HB ALA 83 -4.442 9.176 -1.063 282 2HB ALA 83 2HB ALA 83 -5.760 9.331 -2.249 283 3HB ALA 83 3HB ALA 83 -5.337 10.708 -1.203 284 H LYS 84 H LYS 84 -6.535 11.456 0.936 285 HA LYS 84 HA LYS 84 -4.709 11.089 2.981 286 1HB LYS 84 1HB LYS 84 -5.481 13.275 2.192 287 2HB LYS 84 2HB LYS 84 -7.089 12.962 2.813 288 1HG LYS 84 1HG LYS 84 -6.171 12.777 5.128 289 2HG LYS 84 2HG LYS 84 -4.553 13.053 4.517 290 1HD LYS 84 1HD LYS 84 -5.176 15.306 3.732 291 2HD LYS 84 2HD LYS 84 -6.852 15.033 4.168 292 1HE LYS 84 1HE LYS 84 -4.608 14.868 6.223 293 2HE LYS 84 2HE LYS 84 -5.408 16.381 5.846 294 1HZ LYS 84 1HZ LYS 84 -6.647 13.953 6.926 295 2HZ LYS 84 2HZ LYS 84 -6.531 15.416 7.642 296 3HZ LYS 84 3HZ LYS 84 -7.520 15.210 6.358 297 H ASP 85 H ASP 85 -8.331 10.821 3.057 298 HA ASP 85 HA ASP 85 -8.554 10.228 5.694 299 1HB ASP 85 1HB ASP 85 -10.173 9.043 3.389 300 2HB ASP 85 2HB ASP 85 -10.694 9.087 5.063 301 H LEU 86 H LEU 86 -8.058 8.032 2.845 302 HA LEU 86 HA LEU 86 -8.295 5.610 4.092 303 1HB LEU 86 1HB LEU 86 -8.130 5.924 1.692 304 2HB LEU 86 2HB LEU 86 -6.463 6.444 1.840 305 HG LEU 86 HG LEU 86 -6.117 4.074 2.936 306 1HD1 LEU 86 1HD1 LEU 86 -7.580 2.353 1.957 307 2HD1 LEU 86 2HD1 LEU 86 -8.461 3.447 3.050 308 3HD1 LEU 86 3HD1 LEU 86 -8.621 3.633 1.287 309 1HD2 LEU 86 1HD2 LEU 86 -5.638 3.141 0.685 310 2HD2 LEU 86 2HD2 LEU 86 -6.464 4.542 -0.036 311 3HD2 LEU 86 3HD2 LEU 86 -4.988 4.779 0.930 312 H VAL 87 H VAL 87 -5.235 7.512 3.603 313 HA VAL 87 HA VAL 87 -3.634 5.739 5.025 314 HB VAL 87 HB VAL 87 -3.420 8.671 4.358 315 1HG1 VAL 87 1HG1 VAL 87 -1.445 6.904 5.822 316 2HG1 VAL 87 2HG1 VAL 87 -0.952 8.367 4.932 317 3HG1 VAL 87 3HG1 VAL 87 -2.080 8.496 6.304 318 1HG2 VAL 87 1HG2 VAL 87 -1.870 6.299 3.276 319 2HG2 VAL 87 2HG2 VAL 87 -3.352 6.939 2.529 320 3HG2 VAL 87 3HG2 VAL 87 -1.901 7.963 2.647 321 H GLU 88 H GLU 88 -5.648 8.527 6.057 322 HA GLU 88 HA GLU 88 -4.512 8.583 8.638 323 1HB GLU 88 1HB GLU 88 -6.973 9.852 7.384 324 2HB GLU 88 2HB GLU 88 -6.603 10.067 9.084 325 1HG GLU 88 1HG GLU 88 -4.580 10.670 6.881 326 2HG GLU 88 2HG GLU 88 -5.702 11.873 7.484 327 H SER 89 H SER 89 -6.652 6.430 7.097 328 HA SER 89 HA SER 89 -7.969 5.818 9.621 329 1HB SER 89 1HB SER 89 -8.733 5.065 6.765 330 2HB SER 89 2HB SER 89 -9.612 4.554 8.192 331 HG SER 89 HG SER 89 -10.012 6.819 8.687 332 H ALA 90 H ALA 90 -5.154 5.086 8.565 333 HA ALA 90 HA ALA 90 -5.001 2.467 7.767 334 1HB ALA 90 1HB ALA 90 -2.741 2.547 8.898 335 2HB ALA 90 2HB ALA 90 -3.071 3.917 7.809 336 3HB ALA 90 3HB ALA 90 -3.202 4.129 9.571 337 HA PRO 91 HA PRO 91 -3.761 0.862 8.171 338 1HB PRO 91 1HB PRO 91 -4.308 -1.811 8.050 339 2HB PRO 91 2HB PRO 91 -2.985 -1.146 8.986 340 1HG PRO 91 1HG PRO 91 -5.581 -2.196 9.934 341 2HG PRO 91 2HG PRO 91 -4.105 -1.930 10.842 342 1HD PRO 91 1HD PRO 91 -6.454 -0.284 10.862 343 2HD PRO 91 2HD PRO 91 -4.939 0.042 11.679 344 H ALA 92 H ALA 92 -4.091 0.170 5.938 345 HA ALA 92 HA ALA 92 -6.942 0.076 5.301 346 1HB ALA 92 1HB ALA 92 -6.931 2.211 4.603 347 2HB ALA 92 2HB ALA 92 -5.196 2.363 4.967 348 3HB ALA 92 3HB ALA 92 -5.722 1.762 3.376 349 H ALA 93 H ALA 93 -7.312 -0.662 3.027 350 HA ALA 93 HA ALA 93 -5.236 -2.559 2.282 351 1HB ALA 93 1HB ALA 93 -7.548 -3.355 2.527 352 2HB ALA 93 2HB ALA 93 -8.101 -2.160 1.329 353 3HB ALA 93 3HB ALA 93 -7.023 -3.487 0.832 354 H LEU 94 H LEU 94 -3.677 -1.872 0.905 355 HA LEU 94 HA LEU 94 -4.215 0.374 -0.818 356 1HB LEU 94 1HB LEU 94 -1.863 -1.123 0.148 357 2HB LEU 94 2HB LEU 94 -1.731 -0.498 -1.483 358 HG LEU 94 HG LEU 94 -2.320 1.125 1.008 359 1HD1 LEU 94 1HD1 LEU 94 0.002 0.288 0.832 360 2HD1 LEU 94 2HD1 LEU 94 0.151 1.097 -0.746 361 3HD1 LEU 94 3HD1 LEU 94 -0.111 2.061 0.727 362 1HD2 LEU 94 1HD2 LEU 94 -3.414 2.392 -0.540 363 2HD2 LEU 94 2HD2 LEU 94 -1.762 3.013 -0.769 364 3HD2 LEU 94 3HD2 LEU 94 -2.423 1.804 -1.896 365 H LYS 95 H LYS 95 -3.515 -3.159 -1.105 366 HA LYS 95 HA LYS 95 -4.893 -3.107 -3.659 367 1HB LYS 95 1HB LYS 95 -2.317 -4.596 -3.672 368 2HB LYS 95 2HB LYS 95 -3.172 -3.808 -4.982 369 1HG LYS 95 1HG LYS 95 -2.526 -1.571 -4.055 370 2HG LYS 95 2HG LYS 95 -1.666 -2.363 -2.750 371 1HD LYS 95 1HD LYS 95 0.075 -1.980 -4.271 372 2HD LYS 95 2HD LYS 95 -0.377 -3.622 -4.682 373 1HE LYS 95 1HE LYS 95 -2.027 -2.499 -6.403 374 2HE LYS 95 2HE LYS 95 -1.059 -1.058 -6.165 375 1HZ LYS 95 1HZ LYS 95 -0.142 -2.253 -7.945 376 2HZ LYS 95 2HZ LYS 95 0.893 -2.465 -6.701 377 3HZ LYS 95 3HZ LYS 95 -0.125 -3.667 -7.128 378 H GLU 96 H GLU 96 -5.759 -5.184 -4.250 379 HA GLU 96 HA GLU 96 -5.540 -7.129 -2.090 380 1HB GLU 96 1HB GLU 96 -8.056 -6.295 -3.596 381 2HB GLU 96 2HB GLU 96 -7.974 -7.681 -2.527 382 1HG GLU 96 1HG GLU 96 -7.246 -6.151 -0.654 383 2HG GLU 96 2HG GLU 96 -7.429 -4.780 -1.733 384 H GLY 97 H GLY 97 -5.004 -9.184 -2.753 385 1HA GLY 97 1HA GLY 97 -4.242 -10.754 -4.192 386 2HA GLY 97 2HA GLY 97 -5.847 -10.605 -4.877 387 H VAL 98 H VAL 98 -2.518 -9.201 -5.014 388 HA VAL 98 HA VAL 98 -3.016 -8.697 -7.866 389 HB VAL 98 HB VAL 98 -1.442 -6.782 -7.636 390 1HG1 VAL 98 1HG1 VAL 98 -3.949 -6.561 -7.646 391 2HG1 VAL 98 2HG1 VAL 98 -3.892 -6.496 -5.868 392 3HG1 VAL 98 3HG1 VAL 98 -3.088 -5.233 -6.831 393 1HG2 VAL 98 1HG2 VAL 98 -1.894 -7.030 -4.650 394 2HG2 VAL 98 2HG2 VAL 98 -0.429 -7.622 -5.470 395 3HG2 VAL 98 3HG2 VAL 98 -0.835 -5.888 -5.512 396 H SER 99 H SER 99 -0.822 -8.562 -9.093 397 HA SER 99 HA SER 99 0.432 -10.994 -8.767 398 1HB SER 99 1HB SER 99 2.079 -10.108 -10.435 399 2HB SER 99 2HB SER 99 0.414 -9.845 -10.912 400 HG SER 99 HG SER 99 0.614 -7.688 -10.649 401 H LYS 100 H LYS 100 2.431 -11.623 -7.825 402 HA LYS 100 HA LYS 100 3.183 -10.348 -5.508 403 1HB LYS 100 1HB LYS 100 3.612 -12.734 -6.187 404 2HB LYS 100 2HB LYS 100 4.923 -12.162 -7.201 405 1HG LYS 100 1HG LYS 100 4.878 -11.240 -4.332 406 2HG LYS 100 2HG LYS 100 5.316 -12.909 -4.637 407 1HD LYS 100 1HD LYS 100 6.638 -10.526 -6.021 408 2HD LYS 100 2HD LYS 100 7.283 -11.300 -4.586 409 1HE LYS 100 1HE LYS 100 8.262 -12.901 -5.859 410 2HE LYS 100 2HE LYS 100 6.701 -13.378 -6.497 411 1HZ LYS 100 1HZ LYS 100 8.006 -12.689 -8.293 412 2HZ LYS 100 2HZ LYS 100 6.941 -11.472 -8.056 413 3HZ LYS 100 3HZ LYS 100 8.489 -11.313 -7.560 414 H ASP 101 H ASP 101 4.529 -10.063 -8.843 415 HA ASP 101 HA ASP 101 6.786 -8.689 -8.194 416 1HB ASP 101 1HB ASP 101 4.975 -8.416 -10.636 417 2HB ASP 101 2HB ASP 101 6.585 -7.730 -10.550 418 H ASP 102 H ASP 102 3.405 -7.564 -8.789 419 HA ASP 102 HA ASP 102 4.045 -4.845 -8.812 420 1HB ASP 102 1HB ASP 102 1.490 -6.431 -8.378 421 2HB ASP 102 2HB ASP 102 1.481 -4.685 -8.232 422 H ALA 103 H ALA 103 3.148 -7.257 -6.315 423 HA ALA 103 HA ALA 103 2.513 -5.450 -4.264 424 1HB ALA 103 1HB ALA 103 1.908 -7.873 -4.348 425 2HB ALA 103 2HB ALA 103 3.619 -8.281 -4.083 426 3HB ALA 103 3HB ALA 103 2.707 -7.413 -2.826 427 H GLU 104 H GLU 104 5.575 -7.151 -5.191 428 HA GLU 104 HA GLU 104 6.990 -6.081 -3.021 429 1HB GLU 104 1HB GLU 104 7.625 -8.175 -4.217 430 2HB GLU 104 2HB GLU 104 8.016 -7.244 -5.648 431 1HG GLU 104 1HG GLU 104 9.844 -6.112 -4.533 432 2HG GLU 104 2HG GLU 104 9.330 -6.684 -2.957 433 H ALA 105 H ALA 105 6.078 -4.872 -6.185 434 HA ALA 105 HA ALA 105 8.194 -2.997 -6.454 435 1HB ALA 105 1HB ALA 105 6.927 -3.830 -8.376 436 2HB ALA 105 2HB ALA 105 5.419 -3.170 -7.699 437 3HB ALA 105 3HB ALA 105 6.711 -2.069 -8.232 438 H LEU 106 H LEU 106 4.740 -2.798 -5.352 439 HA LEU 106 HA LEU 106 4.888 -0.054 -4.758 440 1HB LEU 106 1HB LEU 106 2.798 -1.121 -5.216 441 2HB LEU 106 2HB LEU 106 3.011 -2.251 -3.894 442 HG LEU 106 HG LEU 106 1.368 -0.442 -3.441 443 1HD1 LEU 106 1HD1 LEU 106 3.485 0.073 -1.434 444 2HD1 LEU 106 2HD1 LEU 106 1.809 -0.490 -1.229 445 3HD1 LEU 106 3HD1 LEU 106 3.078 -1.635 -1.729 446 1HD2 LEU 106 1HD2 LEU 106 2.079 1.825 -3.026 447 2HD2 LEU 106 2HD2 LEU 106 3.771 1.402 -3.379 448 3HD2 LEU 106 3HD2 LEU 106 2.552 1.353 -4.675 449 H LYS 107 H LYS 107 5.362 -3.050 -2.807 450 HA LYS 107 HA LYS 107 5.578 -1.841 -0.334 451 1HB LYS 107 1HB LYS 107 5.351 -4.216 -0.535 452 2HB LYS 107 2HB LYS 107 6.824 -4.352 -1.473 453 1HG LYS 107 1HG LYS 107 8.188 -3.660 0.446 454 2HG LYS 107 2HG LYS 107 6.757 -3.292 1.389 455 1HD LYS 107 1HD LYS 107 6.097 -5.650 1.438 456 2HD LYS 107 2HD LYS 107 7.358 -6.079 0.299 457 1HE LYS 107 1HE LYS 107 9.105 -5.435 1.939 458 2HE LYS 107 2HE LYS 107 7.879 -4.896 3.069 459 1HZ LYS 107 1HZ LYS 107 8.292 -7.644 2.119 460 2HZ LYS 107 2HZ LYS 107 8.520 -7.080 3.634 461 3HZ LYS 107 3HZ LYS 107 7.010 -7.187 3.021 462 H LYS 108 H LYS 108 8.138 -2.519 -2.808 463 HA LYS 108 HA LYS 108 10.279 -1.586 -1.352 464 1HB LYS 108 1HB LYS 108 9.662 -1.895 -4.266 465 2HB LYS 108 2HB LYS 108 11.097 -0.998 -3.812 466 1HG LYS 108 1HG LYS 108 11.865 -2.922 -2.412 467 2HG LYS 108 2HG LYS 108 10.424 -3.819 -2.850 468 1HD LYS 108 1HD LYS 108 11.655 -4.639 -4.585 469 2HD LYS 108 2HD LYS 108 11.394 -3.080 -5.344 470 1HE LYS 108 1HE LYS 108 13.749 -3.322 -5.420 471 2HE LYS 108 2HE LYS 108 13.506 -2.287 -4.028 472 1HZ LYS 108 1HZ LYS 108 13.632 -4.243 -2.631 473 2HZ LYS 108 2HZ LYS 108 13.866 -5.203 -3.931 474 3HZ LYS 108 3HZ LYS 108 14.989 -4.087 -3.527 475 H ALA 109 H ALA 109 7.792 0.188 -3.230 476 HA ALA 109 HA ALA 109 9.161 2.644 -3.247 477 1HB ALA 109 1HB ALA 109 6.159 2.185 -3.353 478 2HB ALA 109 2HB ALA 109 7.084 3.527 -4.067 479 3HB ALA 109 3HB ALA 109 7.242 1.884 -4.733 480 H LEU 110 H LEU 110 6.771 1.131 -1.010 481 HA LEU 110 HA LEU 110 6.443 3.392 0.610 482 1HB LEU 110 1HB LEU 110 5.924 0.464 0.859 483 2HB LEU 110 2HB LEU 110 5.853 1.453 2.304 484 HG LEU 110 HG LEU 110 3.705 0.971 0.862 485 1HD1 LEU 110 1HD1 LEU 110 4.342 3.695 2.028 486 2HD1 LEU 110 2HD1 LEU 110 2.713 3.074 1.673 487 3HD1 LEU 110 3HD1 LEU 110 3.717 2.277 2.907 488 1HD2 LEU 110 1HD2 LEU 110 4.661 3.498 -0.496 489 2HD2 LEU 110 2HD2 LEU 110 4.793 1.879 -1.223 490 3HD2 LEU 110 3HD2 LEU 110 3.192 2.552 -0.833 491 H GLU 111 H GLU 111 8.744 0.614 0.708 492 HA GLU 111 HA GLU 111 9.819 1.347 3.176 493 1HB GLU 111 1HB GLU 111 10.869 -0.389 0.907 494 2HB GLU 111 2HB GLU 111 11.729 -0.202 2.421 495 1HG GLU 111 1HG GLU 111 9.781 -1.070 3.680 496 2HG GLU 111 2HG GLU 111 8.839 -1.168 2.205 497 H GLU 112 H GLU 112 10.595 2.183 -0.221 498 HA GLU 112 HA GLU 112 13.070 3.295 0.218 499 1HB GLU 112 1HB GLU 112 10.903 3.666 -1.844 500 2HB GLU 112 2HB GLU 112 12.246 4.790 -1.847 501 1HG GLU 112 1HG GLU 112 12.656 1.768 -1.818 502 2HG GLU 112 2HG GLU 112 12.502 2.676 -3.309 503 H ALA 113 H ALA 113 9.767 4.616 0.667 504 HA ALA 113 HA ALA 113 10.761 7.269 1.172 505 1HB ALA 113 1HB ALA 113 8.010 5.990 1.448 506 2HB ALA 113 2HB ALA 113 8.354 7.727 1.629 507 3HB ALA 113 3HB ALA 113 8.607 6.929 0.059 508 H GLY 114 H GLY 114 9.876 4.334 2.977 509 1HA GLY 114 1HA GLY 114 10.833 3.961 5.109 510 2HA GLY 114 2HA GLY 114 10.775 5.680 5.438 511 H ALA 115 H ALA 115 8.412 3.124 4.361 512 HA ALA 115 HA ALA 115 6.673 4.023 6.550 513 1HB ALA 115 1HB ALA 115 4.750 3.766 5.055 514 2HB ALA 115 2HB ALA 115 5.906 4.930 4.364 515 3HB ALA 115 3HB ALA 115 5.823 3.271 3.724 516 H GLU 116 H GLU 116 4.959 2.278 7.046 517 HA GLU 116 HA GLU 116 6.366 -0.264 6.964 518 1HB GLU 116 1HB GLU 116 5.748 0.785 9.194 519 2HB GLU 116 2HB GLU 116 4.061 0.569 8.776 520 1HG GLU 116 1HG GLU 116 4.494 -1.911 8.492 521 2HG GLU 116 2HG GLU 116 6.142 -1.653 9.031 522 H VAL 117 H VAL 117 5.632 -1.829 5.597 523 HA VAL 117 HA VAL 117 2.848 -1.581 4.691 524 HB VAL 117 HB VAL 117 5.414 -2.229 3.338 525 1HG1 VAL 117 1HG1 VAL 117 4.293 -3.483 1.551 526 2HG1 VAL 117 2HG1 VAL 117 4.171 -4.337 3.107 527 3HG1 VAL 117 3HG1 VAL 117 2.769 -3.445 2.469 528 1HG2 VAL 117 1HG2 VAL 117 4.333 -0.058 3.013 529 2HG2 VAL 117 2HG2 VAL 117 4.355 -0.986 1.494 530 3HG2 VAL 117 3HG2 VAL 117 2.853 -0.865 2.441 531 H GLU 118 H GLU 118 1.762 -3.694 4.182 532 HA GLU 118 HA GLU 118 2.901 -5.857 5.760 533 1HB GLU 118 1HB GLU 118 1.191 -4.882 7.177 534 2HB GLU 118 2HB GLU 118 0.041 -4.816 5.857 535 1HG GLU 118 1HG GLU 118 -0.477 -6.735 7.304 536 2HG GLU 118 2HG GLU 118 0.032 -7.309 5.728 537 H VAL 119 H VAL 119 2.846 -7.851 4.746 538 HA VAL 119 HA VAL 119 1.244 -7.981 2.284 539 HB VAL 119 HB VAL 119 3.856 -9.372 2.908 540 1HG1 VAL 119 1HG1 VAL 119 2.281 -9.162 0.319 541 2HG1 VAL 119 2HG1 VAL 119 3.854 -9.970 0.531 542 3HG1 VAL 119 3HG1 VAL 119 2.407 -10.608 1.349 543 1HG2 VAL 119 1HG2 VAL 119 4.311 -7.021 2.700 544 2HG2 VAL 119 2HG2 VAL 119 4.807 -7.814 1.185 545 3HG2 VAL 119 3HG2 VAL 119 3.284 -6.896 1.249 546 H LYS 120 H LYS 120 -0.479 -9.306 2.488 547 HA LYS 120 HA LYS 120 -0.085 -11.798 3.938 548 1HB LYS 120 1HB LYS 120 -2.032 -11.536 5.299 549 2HB LYS 120 2HB LYS 120 -1.002 -10.143 5.562 550 1HG LYS 120 1HG LYS 120 -2.894 -8.924 5.160 551 2HG LYS 120 2HG LYS 120 -2.543 -9.229 3.471 552 1HD LYS 120 1HD LYS 120 -4.011 -11.209 3.469 553 2HD LYS 120 2HD LYS 120 -4.271 -11.064 5.196 554 1HE LYS 120 1HE LYS 120 -5.042 -8.901 3.182 555 2HE LYS 120 2HE LYS 120 -6.153 -10.122 3.767 556 1HZ LYS 120 1HZ LYS 120 -4.932 -7.927 5.233 557 2HZ LYS 120 2HZ LYS 120 -6.490 -8.415 5.213 558 3HZ LYS 120 3HZ LYS 120 -5.379 -9.268 6.051 Start of MODEL 5 1 1H ALA 47 H ALA 47 -2.583 -30.388 -1.485 2 HA ALA 47 HA ALA 47 -4.673 -30.525 -3.412 3 1HB ALA 47 1HB ALA 47 -5.793 -29.128 -1.915 4 2HB ALA 47 2HB ALA 47 -4.678 -29.999 -0.835 5 3HB ALA 47 3HB ALA 47 -4.292 -28.345 -1.363 6 H ALA 48 H ALA 48 -5.258 -28.914 -4.942 7 HA ALA 48 HA ALA 48 -3.069 -27.649 -6.186 8 1HB ALA 48 1HB ALA 48 -5.463 -28.506 -7.023 9 2HB ALA 48 2HB ALA 48 -5.894 -26.804 -6.726 10 3HB ALA 48 3HB ALA 48 -4.586 -27.206 -7.864 11 H GLU 49 H GLU 49 -1.985 -26.137 -4.938 12 HA GLU 49 HA GLU 49 -3.660 -24.040 -3.806 13 1HB GLU 49 1HB GLU 49 -1.117 -25.346 -2.962 14 2HB GLU 49 2HB GLU 49 -1.172 -23.611 -2.720 15 1HG GLU 49 1HG GLU 49 -3.341 -23.857 -1.487 16 2HG GLU 49 2HG GLU 49 -3.274 -25.592 -1.721 17 H GLU 50 H GLU 50 -3.421 -21.905 -4.480 18 HA GLU 50 HA GLU 50 -1.332 -21.494 -6.475 19 1HB GLU 50 1HB GLU 50 -4.223 -21.057 -6.598 20 2HB GLU 50 2HB GLU 50 -3.354 -19.571 -6.926 21 1HG GLU 50 1HG GLU 50 -1.985 -20.740 -8.656 22 2HG GLU 50 2HG GLU 50 -2.824 -22.240 -8.316 23 H LYS 51 H LYS 51 -0.013 -19.680 -6.244 24 HA LYS 51 HA LYS 51 -0.732 -17.864 -4.051 25 1HB LYS 51 1HB LYS 51 1.092 -19.620 -3.550 26 2HB LYS 51 2HB LYS 51 2.108 -18.701 -4.643 27 1HG LYS 51 1HG LYS 51 2.610 -17.661 -2.611 28 2HG LYS 51 2HG LYS 51 1.331 -16.619 -3.200 29 1HD LYS 51 1HD LYS 51 -0.293 -17.563 -1.735 30 2HD LYS 51 2HD LYS 51 0.646 -19.018 -1.476 31 1HE LYS 51 1HE LYS 51 2.419 -17.530 -0.338 32 2HE LYS 51 2HE LYS 51 1.249 -16.227 -0.404 33 1HZ LYS 51 1HZ LYS 51 -0.171 -17.366 1.000 34 2HZ LYS 51 2HZ LYS 51 0.550 -18.813 0.769 35 3HZ LYS 51 3HZ LYS 51 1.298 -17.661 1.650 36 H THR 52 H THR 52 -1.740 -16.854 -6.117 37 HA THR 52 HA THR 52 0.310 -15.082 -7.258 38 HB THR 52 HB THR 52 -0.709 -15.348 -9.456 39 HG1 THR 52 1HG THR 52 -2.567 -17.056 -7.953 40 1HG2 THR 52 1HG2 THR 52 0.730 -17.348 -8.599 41 2HG2 THR 52 2HG2 THR 52 -0.820 -18.165 -8.287 42 3HG2 THR 52 3HG2 THR 52 -0.386 -17.684 -9.945 43 H GLU 53 H GLU 53 -1.732 -14.990 -4.957 44 HA GLU 53 HA GLU 53 -2.931 -12.511 -5.894 45 1HB GLU 53 1HB GLU 53 -4.325 -14.780 -4.427 46 2HB GLU 53 2HB GLU 53 -4.958 -13.146 -4.411 47 1HG GLU 53 1HG GLU 53 -5.062 -13.140 -6.897 48 2HG GLU 53 2HG GLU 53 -4.366 -14.748 -6.947 49 H PHE 54 H PHE 54 -1.432 -11.211 -4.782 50 HA PHE 54 HA PHE 54 -1.272 -11.676 -1.893 51 1HB PHE 54 1HB PHE 54 0.440 -10.271 -4.013 52 2HB PHE 54 2HB PHE 54 0.715 -9.972 -2.308 53 HD1 PHE 54 1HD PHE 54 0.649 -12.664 -4.859 54 HD2 PHE 54 2HD PHE 54 2.012 -11.453 -1.027 55 HE1 PHE 54 1HE PHE 54 2.123 -14.693 -4.743 56 HE2 PHE 54 2HE PHE 54 3.485 -13.482 -0.909 57 HZ PHE 54 HZ PHE 54 3.524 -15.077 -2.769 58 H ASP 55 H ASP 55 -1.712 -9.985 -0.421 59 HA ASP 55 HA ASP 55 -3.085 -7.742 -1.673 60 1HB ASP 55 1HB ASP 55 -3.350 -8.659 1.219 61 2HB ASP 55 2HB ASP 55 -4.413 -7.569 0.352 62 H VAL 56 H VAL 56 -2.416 -5.613 -1.074 63 HA VAL 56 HA VAL 56 -0.091 -5.523 0.720 64 HB VAL 56 HB VAL 56 -0.829 -3.712 -1.587 65 1HG1 VAL 56 1HG1 VAL 56 1.014 -2.424 -1.137 66 2HG1 VAL 56 2HG1 VAL 56 0.585 -2.910 0.521 67 3HG1 VAL 56 3HG1 VAL 56 1.891 -3.755 -0.343 68 1HG2 VAL 56 1HG2 VAL 56 1.599 -5.462 -1.602 69 2HG2 VAL 56 2HG2 VAL 56 0.018 -6.202 -1.951 70 3HG2 VAL 56 3HG2 VAL 56 0.613 -4.858 -2.957 71 H ILE 57 H ILE 57 -0.623 -4.753 2.696 72 HA ILE 57 HA ILE 57 -2.760 -2.745 2.795 73 HB ILE 57 HB ILE 57 -1.915 -4.957 4.601 74 1HG1 ILE 57 1HG1 ILE 57 -4.712 -3.945 4.307 75 2HG1 ILE 57 2HG1 ILE 57 -3.979 -4.727 2.920 76 1HG2 ILE 57 1HG2 ILE 57 -3.156 -3.891 6.481 77 2HG2 ILE 57 2HG2 ILE 57 -1.624 -3.082 6.071 78 3HG2 ILE 57 3HG2 ILE 57 -3.172 -2.372 5.554 79 1HD1 ILE 57 1HD1 ILE 57 -5.260 -6.222 4.624 80 2HD1 ILE 57 2HD1 ILE 57 -3.662 -6.780 4.075 81 3HD1 ILE 57 3HD1 ILE 57 -3.835 -6.008 5.669 82 H LEU 58 H LEU 58 -2.440 -0.819 4.018 83 HA LEU 58 HA LEU 58 0.391 -0.269 4.543 84 1HB LEU 58 1HB LEU 58 -0.172 1.347 3.075 85 2HB LEU 58 2HB LEU 58 -1.873 1.307 3.489 86 HG LEU 58 HG LEU 58 -0.131 2.382 5.617 87 1HD1 LEU 58 1HD1 LEU 58 0.365 4.479 4.585 88 2HD1 LEU 58 2HD1 LEU 58 1.002 3.191 3.535 89 3HD1 LEU 58 3HD1 LEU 58 -0.509 4.025 3.103 90 1HD2 LEU 58 1HD2 LEU 58 -2.364 2.652 6.087 91 2HD2 LEU 58 2HD2 LEU 58 -1.980 4.227 5.352 92 3HD2 LEU 58 3HD2 LEU 58 -2.802 2.973 4.392 93 H LYS 59 H LYS 59 1.043 -0.270 6.621 94 HA LYS 59 HA LYS 59 -1.032 -0.282 8.656 95 1HB LYS 59 1HB LYS 59 1.916 -0.980 8.715 96 2HB LYS 59 2HB LYS 59 0.890 -0.977 10.135 97 1HG LYS 59 1HG LYS 59 -0.626 -2.456 8.323 98 2HG LYS 59 2HG LYS 59 1.008 -2.924 7.899 99 1HD LYS 59 1HD LYS 59 0.426 -4.472 9.596 100 2HD LYS 59 2HD LYS 59 1.389 -3.283 10.451 101 1HE LYS 59 1HE LYS 59 -1.060 -2.129 10.749 102 2HE LYS 59 2HE LYS 59 -1.567 -3.799 10.599 103 1HZ LYS 59 1HZ LYS 59 -1.024 -3.036 12.881 104 2HZ LYS 59 2HZ LYS 59 -0.238 -4.391 12.421 105 3HZ LYS 59 3HZ LYS 59 0.548 -2.960 12.450 106 H ALA 60 H ALA 60 2.166 1.343 8.052 107 HA ALA 60 HA ALA 60 1.023 3.740 9.275 108 1HB ALA 60 1HB ALA 60 2.918 4.026 10.724 109 2HB ALA 60 2HB ALA 60 2.317 2.369 10.978 110 3HB ALA 60 3HB ALA 60 3.769 2.647 9.987 111 H ALA 61 H ALA 61 1.400 5.505 8.019 112 HA ALA 61 HA ALA 61 2.826 5.240 5.608 113 1HB ALA 61 1HB ALA 61 1.747 7.644 7.128 114 2HB ALA 61 2HB ALA 61 2.401 7.717 5.475 115 3HB ALA 61 3HB ALA 61 0.944 6.753 5.814 116 H GLY 62 H GLY 62 3.721 6.090 8.906 117 1HA GLY 62 1HA GLY 62 5.786 6.364 9.794 118 2HA GLY 62 2HA GLY 62 6.500 6.138 8.210 119 H ALA 63 H ALA 63 7.985 7.917 8.648 120 HA ALA 63 HA ALA 63 6.767 10.528 9.034 121 1HB ALA 63 1HB ALA 63 9.683 9.656 8.927 122 2HB ALA 63 2HB ALA 63 9.075 11.250 9.437 123 3HB ALA 63 3HB ALA 63 8.708 9.805 10.409 124 H ASN 64 H ASN 64 6.110 9.261 6.562 125 HA ASN 64 HA ASN 64 7.251 11.233 4.821 126 1HB ASN 64 1HB ASN 64 8.541 8.852 4.773 127 2HB ASN 64 2HB ASN 64 7.201 8.410 3.734 128 1HD2 ASN 64 1HD2 ASN 64 10.176 9.003 3.394 129 2HD2 ASN 64 2HD2 ASN 64 10.275 10.080 2.042 130 H LYS 65 H LYS 65 4.718 11.390 5.705 131 HA LYS 65 HA LYS 65 2.821 9.713 4.536 132 1HB LYS 65 1HB LYS 65 2.792 11.681 6.414 133 2HB LYS 65 2HB LYS 65 2.055 12.528 5.069 134 1HG LYS 65 1HG LYS 65 0.400 10.684 4.797 135 2HG LYS 65 2HG LYS 65 1.150 9.800 6.111 136 1HD LYS 65 1HD LYS 65 0.710 11.980 7.525 137 2HD LYS 65 2HD LYS 65 -0.406 12.406 6.243 138 1HE LYS 65 1HE LYS 65 -1.807 10.519 6.660 139 2HE LYS 65 2HE LYS 65 -0.555 9.661 7.535 140 1HZ LYS 65 1HZ LYS 65 -1.833 10.483 9.205 141 2HZ LYS 65 2HZ LYS 65 -0.729 11.682 9.103 142 3HZ LYS 65 3HZ LYS 65 -2.209 11.875 8.437 143 H VAL 66 H VAL 66 4.769 12.341 3.253 144 HA VAL 66 HA VAL 66 3.050 13.097 1.161 145 HB VAL 66 HB VAL 66 6.051 13.265 1.496 146 1HG1 VAL 66 1HG1 VAL 66 4.232 14.619 -0.523 147 2HG1 VAL 66 2HG1 VAL 66 5.929 15.062 -0.226 148 3HG1 VAL 66 3HG1 VAL 66 5.529 13.448 -0.861 149 1HG2 VAL 66 1HG2 VAL 66 4.840 15.803 1.696 150 2HG2 VAL 66 2HG2 VAL 66 3.838 14.705 2.676 151 3HG2 VAL 66 3HG2 VAL 66 5.583 14.845 2.999 152 H ALA 67 H ALA 67 6.046 11.028 1.107 153 HA ALA 67 HA ALA 67 5.770 10.218 -1.514 154 1HB ALA 67 1HB ALA 67 6.975 8.759 0.873 155 2HB ALA 67 2HB ALA 67 7.284 8.369 -0.835 156 3HB ALA 67 3HB ALA 67 7.806 9.936 -0.172 157 H VAL 68 H VAL 68 4.438 8.796 1.528 158 HA VAL 68 HA VAL 68 3.433 6.470 0.422 159 HB VAL 68 HB VAL 68 2.575 8.188 2.749 160 1HG1 VAL 68 1HG1 VAL 68 1.481 5.511 1.844 161 2HG1 VAL 68 2HG1 VAL 68 1.341 6.100 3.518 162 3HG1 VAL 68 3HG1 VAL 68 0.588 7.013 2.187 163 1HG2 VAL 68 1HG2 VAL 68 3.586 5.560 3.396 164 2HG2 VAL 68 2HG2 VAL 68 4.735 6.415 2.338 165 3HG2 VAL 68 3HG2 VAL 68 4.210 7.161 3.866 166 H ILE 69 H ILE 69 1.635 9.563 1.099 167 HA ILE 69 HA ILE 69 -0.737 8.816 -0.026 168 HB ILE 69 HB ILE 69 0.648 11.450 0.326 169 1HG1 ILE 69 1HG1 ILE 69 -0.355 10.059 2.230 170 2HG1 ILE 69 2HG1 ILE 69 -0.799 11.752 2.133 171 1HG2 ILE 69 1HG2 ILE 69 -1.613 12.485 -0.262 172 2HG2 ILE 69 2HG2 ILE 69 -0.583 11.945 -1.608 173 3HG2 ILE 69 3HG2 ILE 69 -1.967 10.951 -1.094 174 1HD1 ILE 69 1HD1 ILE 69 -2.937 11.203 1.077 175 2HD1 ILE 69 2HD1 ILE 69 -2.475 9.488 0.953 176 3HD1 ILE 69 3HD1 ILE 69 -2.758 10.222 2.550 177 H LYS 70 H LYS 70 2.271 9.923 -1.613 178 HA LYS 70 HA LYS 70 1.112 10.340 -4.143 179 1HB LYS 70 1HB LYS 70 3.912 9.963 -3.106 180 2HB LYS 70 2HB LYS 70 3.613 9.993 -4.832 181 1HG LYS 70 1HG LYS 70 2.513 12.207 -4.637 182 2HG LYS 70 2HG LYS 70 2.694 12.171 -2.894 183 1HD LYS 70 1HD LYS 70 4.571 13.428 -3.459 184 2HD LYS 70 2HD LYS 70 5.276 11.825 -3.461 185 1HE LYS 70 1HE LYS 70 6.018 12.681 -5.524 186 2HE LYS 70 2HE LYS 70 4.602 11.768 -6.004 187 1HZ LYS 70 1HZ LYS 70 4.726 14.665 -5.534 188 2HZ LYS 70 2HZ LYS 70 4.509 13.913 -6.967 189 3HZ LYS 70 3HZ LYS 70 3.340 13.851 -5.827 190 H ALA 71 H ALA 71 2.904 7.537 -2.695 191 HA ALA 71 HA ALA 71 2.796 5.905 -4.921 192 1HB ALA 71 1HB ALA 71 3.034 5.509 -1.947 193 2HB ALA 71 2HB ALA 71 2.812 4.085 -2.991 194 3HB ALA 71 3HB ALA 71 4.210 5.159 -3.238 195 H VAL 72 H VAL 72 0.418 6.395 -2.246 196 HA VAL 72 HA VAL 72 -1.330 4.369 -3.007 197 HB VAL 72 HB VAL 72 -1.859 7.005 -1.623 198 1HG1 VAL 72 1HG1 VAL 72 -3.844 5.616 -2.586 199 2HG1 VAL 72 2HG1 VAL 72 -3.489 4.500 -1.247 200 3HG1 VAL 72 3HG1 VAL 72 -3.920 6.192 -0.905 201 1HG2 VAL 72 1HG2 VAL 72 -0.569 6.157 -0.003 202 2HG2 VAL 72 2HG2 VAL 72 -1.859 4.961 0.268 203 3HG2 VAL 72 3HG2 VAL 72 -0.486 4.565 -0.794 204 H ARG 73 H ARG 73 -1.873 7.932 -3.485 205 HA ARG 73 HA ARG 73 -3.937 7.680 -5.181 206 1HB ARG 73 1HB ARG 73 -3.112 9.836 -4.224 207 2HB ARG 73 2HB ARG 73 -1.715 9.785 -5.279 208 1HG ARG 73 1HG ARG 73 -3.232 9.846 -7.278 209 2HG ARG 73 2HG ARG 73 -4.621 9.921 -6.213 210 1HD ARG 73 1HD ARG 73 -2.887 11.984 -5.306 211 2HD ARG 73 2HD ARG 73 -2.829 12.078 -7.054 212 HE ARG 73 HE ARG 73 -5.108 12.719 -5.362 213 1HH1 ARG 73 2HH2 ARG 73 -4.269 11.423 -8.524 214 2HH1 ARG 73 1HH2 ARG 73 -5.712 12.006 -9.286 215 1HH2 ARG 73 2HH1 ARG 73 -6.956 13.588 -6.395 216 2HH2 ARG 73 1HH1 ARG 73 -7.268 13.214 -8.058 217 H GLY 74 H GLY 74 -0.465 7.248 -5.833 218 1HA GLY 74 1HA GLY 74 -0.604 7.530 -8.666 219 2HA GLY 74 2HA GLY 74 0.710 6.859 -7.720 220 H ALA 75 H ALA 75 -1.059 4.853 -6.334 221 HA ALA 75 HA ALA 75 -0.877 2.881 -8.444 222 1HB ALA 75 1HB ALA 75 0.119 2.409 -6.260 223 2HB ALA 75 2HB ALA 75 -1.444 2.690 -5.457 224 3HB ALA 75 3HB ALA 75 -1.242 1.300 -6.550 225 H THR 76 H THR 76 -3.255 4.885 -6.849 226 HA THR 76 HA THR 76 -5.391 3.207 -7.994 227 HB THR 76 HB THR 76 -6.776 4.008 -6.089 228 HG1 THR 76 1HG THR 76 -4.271 5.126 -5.105 229 1HG2 THR 76 1HG2 THR 76 -5.532 3.006 -4.181 230 2HG2 THR 76 2HG2 THR 76 -5.354 1.986 -5.628 231 3HG2 THR 76 3HG2 THR 76 -4.025 3.060 -5.127 232 H GLY 77 H GLY 77 -5.175 6.584 -6.713 233 1HA GLY 77 1HA GLY 77 -5.132 8.410 -8.323 234 2HA GLY 77 2HA GLY 77 -6.214 7.476 -9.337 235 H LEU 78 H LEU 78 -6.681 7.263 -5.852 236 HA LEU 78 HA LEU 78 -9.307 8.289 -6.083 237 1HB LEU 78 1HB LEU 78 -7.589 7.474 -3.744 238 2HB LEU 78 2HB LEU 78 -9.232 8.053 -3.561 239 HG LEU 78 HG LEU 78 -8.723 5.768 -5.431 240 1HD1 LEU 78 1HD1 LEU 78 -9.009 5.364 -2.447 241 2HD1 LEU 78 2HD1 LEU 78 -8.737 4.133 -3.703 242 3HD1 LEU 78 3HD1 LEU 78 -7.454 5.302 -3.311 243 1HD2 LEU 78 1HD2 LEU 78 -10.960 6.874 -5.198 244 2HD2 LEU 78 2HD2 LEU 78 -10.950 5.126 -4.859 245 3HD2 LEU 78 3HD2 LEU 78 -11.007 6.292 -3.516 246 H GLY 79 H GLY 79 -10.200 10.179 -4.980 247 1HA GLY 79 1HA GLY 79 -8.893 12.545 -5.542 248 2HA GLY 79 2HA GLY 79 -10.223 12.355 -4.416 249 H LEU 80 H LEU 80 -7.686 14.051 -4.332 250 HA LEU 80 HA LEU 80 -5.757 13.200 -2.676 251 1HB LEU 80 1HB LEU 80 -6.283 15.511 -3.755 252 2HB LEU 80 2HB LEU 80 -7.033 15.874 -2.213 253 HG LEU 80 HG LEU 80 -4.764 15.130 -1.179 254 1HD1 LEU 80 1HD1 LEU 80 -4.187 14.642 -3.883 255 2HD1 LEU 80 2HD1 LEU 80 -3.266 16.102 -3.449 256 3HD1 LEU 80 3HD1 LEU 80 -3.063 14.607 -2.504 257 1HD2 LEU 80 1HD2 LEU 80 -5.546 17.387 -1.011 258 2HD2 LEU 80 2HD2 LEU 80 -3.839 17.428 -1.515 259 3HD2 LEU 80 3HD2 LEU 80 -5.128 17.717 -2.709 260 H LYS 81 H LYS 81 -9.047 14.331 -1.680 261 HA LYS 81 HA LYS 81 -8.607 14.100 1.057 262 1HB LYS 81 1HB LYS 81 -10.455 15.366 0.165 263 2HB LYS 81 2HB LYS 81 -11.138 13.946 -0.599 264 1HG LYS 81 1HG LYS 81 -11.831 13.001 1.450 265 2HG LYS 81 2HG LYS 81 -10.644 13.892 2.384 266 1HD LYS 81 1HD LYS 81 -11.900 16.024 1.889 267 2HD LYS 81 2HD LYS 81 -13.110 15.089 1.031 268 1HE LYS 81 1HE LYS 81 -12.381 14.461 3.920 269 2HE LYS 81 2HE LYS 81 -13.577 15.679 3.527 270 1HZ LYS 81 1HZ LYS 81 -14.925 14.094 2.530 271 2HZ LYS 81 2HZ LYS 81 -13.742 12.973 2.425 272 3HZ LYS 81 3HZ LYS 81 -14.387 13.346 3.878 273 H GLU 82 H GLU 82 -10.439 11.804 -1.091 274 HA GLU 82 HA GLU 82 -10.876 9.861 0.655 275 1HB GLU 82 1HB GLU 82 -10.022 9.606 -2.256 276 2HB GLU 82 2HB GLU 82 -10.631 8.250 -1.327 277 1HG GLU 82 1HG GLU 82 -12.682 8.939 -2.069 278 2HG GLU 82 2HG GLU 82 -12.569 10.121 -0.779 279 H ALA 83 H ALA 83 -7.785 10.377 -1.155 280 HA ALA 83 HA ALA 83 -6.517 8.067 -0.217 281 1HB ALA 83 1HB ALA 83 -5.775 9.338 -2.180 282 2HB ALA 83 2HB ALA 83 -5.395 10.740 -1.152 283 3HB ALA 83 3HB ALA 83 -4.461 9.234 -0.985 284 H LYS 84 H LYS 84 -6.570 11.481 0.987 285 HA LYS 84 HA LYS 84 -4.758 11.141 3.047 286 1HB LYS 84 1HB LYS 84 -5.715 13.292 2.138 287 2HB LYS 84 2HB LYS 84 -7.172 12.973 3.055 288 1HG LYS 84 1HG LYS 84 -5.266 12.592 5.006 289 2HG LYS 84 2HG LYS 84 -4.468 13.796 4.016 290 1HD LYS 84 1HD LYS 84 -5.722 15.082 5.571 291 2HD LYS 84 2HD LYS 84 -6.688 15.133 4.109 292 1HE LYS 84 1HE LYS 84 -8.435 14.266 5.268 293 2HE LYS 84 2HE LYS 84 -7.525 12.783 5.487 294 1HZ LYS 84 1HZ LYS 84 -7.117 15.098 7.233 295 2HZ LYS 84 2HZ LYS 84 -8.268 13.981 7.541 296 3HZ LYS 84 3HZ LYS 84 -6.695 13.544 7.504 297 H ASP 85 H ASP 85 -8.381 10.858 3.120 298 HA ASP 85 HA ASP 85 -8.578 10.268 5.767 299 1HB ASP 85 1HB ASP 85 -10.232 9.233 3.417 300 2HB ASP 85 2HB ASP 85 -10.724 9.064 5.090 301 H LEU 86 H LEU 86 -8.196 8.072 2.896 302 HA LEU 86 HA LEU 86 -8.440 5.649 4.127 303 1HB LEU 86 1HB LEU 86 -8.315 5.892 1.750 304 2HB LEU 86 2HB LEU 86 -6.684 6.527 1.835 305 HG LEU 86 HG LEU 86 -6.500 4.033 3.080 306 1HD1 LEU 86 1HD1 LEU 86 -8.811 3.597 2.157 307 2HD1 LEU 86 2HD1 LEU 86 -8.086 3.668 0.533 308 3HD1 LEU 86 3HD1 LEU 86 -7.552 2.427 1.693 309 1HD2 LEU 86 1HD2 LEU 86 -5.071 3.461 1.269 310 2HD2 LEU 86 2HD2 LEU 86 -5.883 4.606 0.175 311 3HD2 LEU 86 3HD2 LEU 86 -4.904 5.213 1.530 312 H VAL 87 H VAL 87 -5.342 7.484 3.605 313 HA VAL 87 HA VAL 87 -3.773 5.659 5.000 314 HB VAL 87 HB VAL 87 -3.456 8.597 4.384 315 1HG1 VAL 87 1HG1 VAL 87 -1.027 8.247 4.858 316 2HG1 VAL 87 2HG1 VAL 87 -2.062 8.150 6.303 317 3HG1 VAL 87 3HG1 VAL 87 -1.434 6.661 5.556 318 1HG2 VAL 87 1HG2 VAL 87 -2.422 6.059 3.087 319 2HG2 VAL 87 2HG2 VAL 87 -3.524 7.272 2.392 320 3HG2 VAL 87 3HG2 VAL 87 -1.819 7.687 2.695 321 H GLU 88 H GLU 88 -5.709 8.484 6.064 322 HA GLU 88 HA GLU 88 -4.543 8.554 8.620 323 1HB GLU 88 1HB GLU 88 -7.086 9.745 7.452 324 2HB GLU 88 2HB GLU 88 -6.618 10.009 9.122 325 1HG GLU 88 1HG GLU 88 -4.334 10.482 7.365 326 2HG GLU 88 2HG GLU 88 -5.707 11.426 6.822 327 H SER 89 H SER 89 -6.747 6.400 7.118 328 HA SER 89 HA SER 89 -7.967 5.754 9.678 329 1HB SER 89 1HB SER 89 -8.784 5.010 6.835 330 2HB SER 89 2HB SER 89 -9.613 4.449 8.274 331 HG SER 89 HG SER 89 -10.334 6.539 7.041 332 H ALA 90 H ALA 90 -5.165 5.059 8.605 333 HA ALA 90 HA ALA 90 -4.961 2.454 7.793 334 1HB ALA 90 1HB ALA 90 -2.711 2.547 8.817 335 2HB ALA 90 2HB ALA 90 -3.093 4.054 7.950 336 3HB ALA 90 3HB ALA 90 -3.186 4.001 9.726 337 HA PRO 91 HA PRO 91 -3.721 0.859 8.182 338 1HB PRO 91 1HB PRO 91 -4.239 -1.819 8.020 339 2HB PRO 91 2HB PRO 91 -2.930 -1.153 8.974 340 1HG PRO 91 1HG PRO 91 -5.519 -2.245 9.889 341 2HG PRO 91 2HG PRO 91 -4.054 -1.974 10.812 342 1HD PRO 91 1HD PRO 91 -6.421 -0.355 10.837 343 2HD PRO 91 2HD PRO 91 -4.916 -0.023 11.670 344 H ALA 92 H ALA 92 -4.026 0.227 5.937 345 HA ALA 92 HA ALA 92 -6.870 0.064 5.281 346 1HB ALA 92 1HB ALA 92 -6.940 2.076 4.255 347 2HB ALA 92 2HB ALA 92 -5.464 2.456 5.177 348 3HB ALA 92 3HB ALA 92 -5.340 1.844 3.509 349 H ALA 93 H ALA 93 -7.224 -0.706 3.031 350 HA ALA 93 HA ALA 93 -5.067 -2.512 2.268 351 1HB ALA 93 1HB ALA 93 -6.744 -3.762 1.162 352 2HB ALA 93 2HB ALA 93 -7.540 -3.180 2.643 353 3HB ALA 93 3HB ALA 93 -7.854 -2.374 1.086 354 H LEU 94 H LEU 94 -3.631 -1.856 0.756 355 HA LEU 94 HA LEU 94 -4.292 0.386 -0.924 356 1HB LEU 94 1HB LEU 94 -1.810 -1.309 -0.641 357 2HB LEU 94 2HB LEU 94 -1.952 0.060 -1.728 358 HG LEU 94 HG LEU 94 -2.387 0.315 1.253 359 1HD1 LEU 94 1HD1 LEU 94 -0.217 -0.315 1.408 360 2HD1 LEU 94 2HD1 LEU 94 0.149 0.111 -0.281 361 3HD1 LEU 94 3HD1 LEU 94 0.051 1.386 0.956 362 1HD2 LEU 94 1HD2 LEU 94 -2.237 2.624 0.948 363 2HD2 LEU 94 2HD2 LEU 94 -1.494 2.462 -0.662 364 3HD2 LEU 94 3HD2 LEU 94 -3.215 2.072 -0.433 365 H LYS 95 H LYS 95 -3.576 -3.140 -1.285 366 HA LYS 95 HA LYS 95 -5.113 -3.088 -3.750 367 1HB LYS 95 1HB LYS 95 -2.494 -4.514 -3.897 368 2HB LYS 95 2HB LYS 95 -3.460 -3.800 -5.172 369 1HG LYS 95 1HG LYS 95 -2.853 -1.514 -4.361 370 2HG LYS 95 2HG LYS 95 -1.898 -2.221 -3.074 371 1HD LYS 95 1HD LYS 95 -0.234 -1.858 -4.669 372 2HD LYS 95 2HD LYS 95 -0.680 -3.508 -5.055 373 1HE LYS 95 1HE LYS 95 -2.401 -2.463 -6.721 374 2HE LYS 95 2HE LYS 95 -1.523 -0.963 -6.495 375 1HZ LYS 95 1HZ LYS 95 0.504 -2.293 -7.072 376 2HZ LYS 95 2HZ LYS 95 -0.497 -3.484 -7.571 377 3HZ LYS 95 3HZ LYS 95 -0.542 -2.022 -8.296 378 H GLU 96 H GLU 96 -5.932 -5.200 -4.343 379 HA GLU 96 HA GLU 96 -5.521 -7.193 -2.265 380 1HB GLU 96 1HB GLU 96 -8.217 -6.297 -3.378 381 2HB GLU 96 2HB GLU 96 -7.992 -7.710 -2.367 382 1HG GLU 96 1HG GLU 96 -6.936 -6.175 -0.610 383 2HG GLU 96 2HG GLU 96 -7.417 -4.812 -1.601 384 H GLY 97 H GLY 97 -4.992 -9.163 -3.121 385 1HA GLY 97 1HA GLY 97 -4.738 -10.833 -4.603 386 2HA GLY 97 2HA GLY 97 -6.258 -10.336 -5.317 387 H VAL 98 H VAL 98 -2.897 -8.943 -5.080 388 HA VAL 98 HA VAL 98 -3.039 -8.537 -7.989 389 HB VAL 98 HB VAL 98 -1.535 -6.628 -7.635 390 1HG1 VAL 98 1HG1 VAL 98 -3.974 -6.282 -5.877 391 2HG1 VAL 98 2HG1 VAL 98 -3.196 -5.092 -6.947 392 3HG1 VAL 98 3HG1 VAL 98 -4.088 -6.467 -7.642 393 1HG2 VAL 98 1HG2 VAL 98 -0.723 -5.932 -5.608 394 2HG2 VAL 98 2HG2 VAL 98 -2.092 -6.611 -4.696 395 3HG2 VAL 98 3HG2 VAL 98 -0.807 -7.684 -5.301 396 H SER 99 H SER 99 -0.811 -8.553 -9.047 397 HA SER 99 HA SER 99 0.378 -10.981 -8.485 398 1HB SER 99 1HB SER 99 2.065 -10.310 -10.163 399 2HB SER 99 2HB SER 99 0.448 -9.906 -10.706 400 HG SER 99 HG SER 99 0.852 -7.693 -9.882 401 H LYS 100 H LYS 100 2.447 -11.524 -7.544 402 HA LYS 100 HA LYS 100 3.050 -10.113 -5.228 403 1HB LYS 100 1HB LYS 100 3.477 -12.548 -5.723 404 2HB LYS 100 2HB LYS 100 4.848 -12.060 -6.700 405 1HG LYS 100 1HG LYS 100 5.678 -10.756 -4.617 406 2HG LYS 100 2HG LYS 100 4.452 -11.621 -3.711 407 1HD LYS 100 1HD LYS 100 5.521 -13.689 -3.950 408 2HD LYS 100 2HD LYS 100 6.271 -13.250 -5.471 409 1HE LYS 100 1HE LYS 100 7.081 -11.834 -2.910 410 2HE LYS 100 2HE LYS 100 7.761 -13.401 -3.300 411 1HZ LYS 100 1HZ LYS 100 8.543 -12.511 -5.367 412 2HZ LYS 100 2HZ LYS 100 7.845 -11.062 -5.079 413 3HZ LYS 100 3HZ LYS 100 9.083 -11.571 -4.145 414 H ASP 101 H ASP 101 4.438 -9.991 -8.539 415 HA ASP 101 HA ASP 101 6.710 -8.609 -7.949 416 1HB ASP 101 1HB ASP 101 4.864 -8.551 -10.371 417 2HB ASP 101 2HB ASP 101 6.367 -7.649 -10.349 418 H ASP 102 H ASP 102 3.318 -7.511 -8.486 419 HA ASP 102 HA ASP 102 3.974 -4.789 -8.641 420 1HB ASP 102 1HB ASP 102 1.426 -6.372 -8.189 421 2HB ASP 102 2HB ASP 102 1.398 -4.627 -8.028 422 H ALA 103 H ALA 103 3.060 -7.107 -6.058 423 HA ALA 103 HA ALA 103 2.442 -5.219 -4.074 424 1HB ALA 103 1HB ALA 103 3.076 -7.302 -2.597 425 2HB ALA 103 2HB ALA 103 1.657 -7.380 -3.670 426 3HB ALA 103 3HB ALA 103 3.189 -8.140 -4.164 427 H GLU 104 H GLU 104 5.482 -6.996 -4.929 428 HA GLU 104 HA GLU 104 6.885 -5.896 -2.765 429 1HB GLU 104 1HB GLU 104 7.297 -7.974 -4.534 430 2HB GLU 104 2HB GLU 104 8.462 -6.802 -5.119 431 1HG GLU 104 1HG GLU 104 9.336 -6.558 -2.751 432 2HG GLU 104 2HG GLU 104 8.238 -7.828 -2.249 433 H ALA 105 H ALA 105 6.056 -4.758 -5.975 434 HA ALA 105 HA ALA 105 8.269 -3.048 -6.359 435 1HB ALA 105 1HB ALA 105 5.447 -3.057 -7.503 436 2HB ALA 105 2HB ALA 105 6.787 -2.058 -8.113 437 3HB ALA 105 3HB ALA 105 6.886 -3.832 -8.209 438 H LEU 106 H LEU 106 4.868 -2.488 -5.210 439 HA LEU 106 HA LEU 106 5.349 0.245 -4.675 440 1HB LEU 106 1HB LEU 106 3.153 -0.909 -5.186 441 2HB LEU 106 2HB LEU 106 3.168 -1.499 -3.537 442 HG LEU 106 HG LEU 106 3.294 0.913 -2.772 443 1HD1 LEU 106 1HD1 LEU 106 3.500 1.333 -5.625 444 2HD1 LEU 106 2HD1 LEU 106 2.105 2.211 -4.953 445 3HD1 LEU 106 3HD1 LEU 106 3.732 2.479 -4.283 446 1HD2 LEU 106 1HD2 LEU 106 0.818 0.217 -4.369 447 2HD2 LEU 106 2HD2 LEU 106 1.225 -0.493 -2.790 448 3HD2 LEU 106 3HD2 LEU 106 0.932 1.256 -2.928 449 H LYS 107 H LYS 107 5.500 -2.785 -2.754 450 HA LYS 107 HA LYS 107 5.712 -1.641 -0.247 451 1HB LYS 107 1HB LYS 107 5.342 -4.038 -0.707 452 2HB LYS 107 2HB LYS 107 6.987 -4.188 -1.290 453 1HG LYS 107 1HG LYS 107 6.988 -2.885 1.320 454 2HG LYS 107 2HG LYS 107 6.073 -4.377 1.409 455 1HD LYS 107 1HD LYS 107 8.819 -4.269 0.094 456 2HD LYS 107 2HD LYS 107 8.637 -4.516 1.818 457 1HE LYS 107 1HE LYS 107 7.291 -6.547 1.440 458 2HE LYS 107 2HE LYS 107 7.284 -6.266 -0.289 459 1HZ LYS 107 1HZ LYS 107 8.962 -7.849 0.348 460 2HZ LYS 107 2HZ LYS 107 9.670 -6.519 -0.286 461 3HZ LYS 107 3HZ LYS 107 9.687 -6.764 1.330 462 H LYS 108 H LYS 108 8.290 -2.445 -2.661 463 HA LYS 108 HA LYS 108 10.445 -1.654 -1.135 464 1HB LYS 108 1HB LYS 108 9.901 -1.869 -4.079 465 2HB LYS 108 2HB LYS 108 11.393 -1.124 -3.540 466 1HG LYS 108 1HG LYS 108 11.943 -3.141 -2.194 467 2HG LYS 108 2HG LYS 108 10.423 -3.882 -2.651 468 1HD LYS 108 1HD LYS 108 11.407 -3.295 -5.137 469 2HD LYS 108 2HD LYS 108 12.914 -3.507 -4.268 470 1HE LYS 108 1HE LYS 108 12.018 -5.737 -3.406 471 2HE LYS 108 2HE LYS 108 10.633 -5.529 -4.459 472 1HZ LYS 108 1HZ LYS 108 12.030 -5.566 -6.332 473 2HZ LYS 108 2HZ LYS 108 13.397 -5.463 -5.444 474 3HZ LYS 108 3HZ LYS 108 12.496 -6.825 -5.402 475 H ALA 109 H ALA 109 8.137 0.269 -3.101 476 HA ALA 109 HA ALA 109 9.624 2.653 -3.006 477 1HB ALA 109 1HB ALA 109 7.465 3.670 -3.716 478 2HB ALA 109 2HB ALA 109 7.872 2.219 -4.663 479 3HB ALA 109 3HB ALA 109 6.647 2.126 -3.375 480 H LEU 110 H LEU 110 7.105 1.190 -0.889 481 HA LEU 110 HA LEU 110 6.772 3.425 0.760 482 1HB LEU 110 1HB LEU 110 6.207 0.501 0.947 483 2HB LEU 110 2HB LEU 110 6.116 1.463 2.407 484 HG LEU 110 HG LEU 110 3.995 1.039 0.915 485 1HD1 LEU 110 1HD1 LEU 110 3.012 3.134 1.740 486 2HD1 LEU 110 2HD1 LEU 110 3.999 2.324 2.981 487 3HD1 LEU 110 3HD1 LEU 110 4.640 3.744 2.119 488 1HD2 LEU 110 1HD2 LEU 110 3.543 2.649 -0.771 489 2HD2 LEU 110 2HD2 LEU 110 5.018 3.570 -0.389 490 3HD2 LEU 110 3HD2 LEU 110 5.143 1.959 -1.136 491 H GLU 111 H GLU 111 9.036 0.617 0.877 492 HA GLU 111 HA GLU 111 10.049 1.295 3.386 493 1HB GLU 111 1HB GLU 111 11.192 -0.391 1.120 494 2HB GLU 111 2HB GLU 111 11.940 -0.275 2.699 495 1HG GLU 111 1HG GLU 111 9.321 -0.841 3.393 496 2HG GLU 111 2HG GLU 111 9.464 -1.712 1.878 497 H GLU 112 H GLU 112 10.968 2.146 0.022 498 HA GLU 112 HA GLU 112 13.429 3.231 0.557 499 1HB GLU 112 1HB GLU 112 11.333 3.662 -1.566 500 2HB GLU 112 2HB GLU 112 12.691 4.768 -1.510 501 1HG GLU 112 1HG GLU 112 14.275 2.837 -1.621 502 2HG GLU 112 2HG GLU 112 12.922 1.724 -1.657 503 H ALA 113 H ALA 113 10.135 4.564 0.974 504 HA ALA 113 HA ALA 113 11.149 7.204 1.538 505 1HB ALA 113 1HB ALA 113 9.061 7.748 0.920 506 2HB ALA 113 2HB ALA 113 8.685 6.020 0.725 507 3HB ALA 113 3HB ALA 113 8.396 6.822 2.287 508 H GLY 114 H GLY 114 10.081 4.266 3.256 509 1HA GLY 114 1HA GLY 114 10.980 3.822 5.407 510 2HA GLY 114 2HA GLY 114 10.953 5.535 5.770 511 H ALA 115 H ALA 115 8.570 3.051 4.574 512 HA ALA 115 HA ALA 115 6.770 3.972 6.704 513 1HB ALA 115 1HB ALA 115 6.153 4.912 4.458 514 2HB ALA 115 2HB ALA 115 5.972 3.246 3.857 515 3HB ALA 115 3HB ALA 115 4.905 3.847 5.150 516 H GLU 116 H GLU 116 5.114 2.296 7.292 517 HA GLU 116 HA GLU 116 6.406 -0.294 7.137 518 1HB GLU 116 1HB GLU 116 5.814 0.743 9.374 519 2HB GLU 116 2HB GLU 116 4.120 0.601 8.947 520 1HG GLU 116 1HG GLU 116 4.093 -1.582 9.556 521 2HG GLU 116 2HG GLU 116 5.410 -1.950 8.459 522 H VAL 117 H VAL 117 5.634 -1.825 5.752 523 HA VAL 117 HA VAL 117 2.881 -1.458 4.797 524 HB VAL 117 HB VAL 117 5.188 -2.850 3.427 525 1HG1 VAL 117 1HG1 VAL 117 3.657 -2.438 1.404 526 2HG1 VAL 117 2HG1 VAL 117 3.183 -3.716 2.547 527 3HG1 VAL 117 3HG1 VAL 117 2.370 -2.134 2.596 528 1HG2 VAL 117 1HG2 VAL 117 5.916 -0.644 3.409 529 2HG2 VAL 117 2HG2 VAL 117 4.978 -0.738 1.899 530 3HG2 VAL 117 3HG2 VAL 117 4.263 0.012 3.346 531 H GLU 118 H GLU 118 1.809 -3.597 4.129 532 HA GLU 118 HA GLU 118 2.822 -5.787 5.748 533 1HB GLU 118 1HB GLU 118 1.037 -4.925 7.096 534 2HB GLU 118 2HB GLU 118 -0.008 -4.687 5.710 535 1HG GLU 118 1HG GLU 118 -0.787 -6.680 6.824 536 2HG GLU 118 2HG GLU 118 0.003 -7.208 5.351 537 H VAL 119 H VAL 119 2.899 -7.729 4.652 538 HA VAL 119 HA VAL 119 1.430 -7.820 2.107 539 HB VAL 119 HB VAL 119 4.068 -9.142 2.764 540 1HG1 VAL 119 1HG1 VAL 119 2.945 -8.645 0.009 541 2HG1 VAL 119 2HG1 VAL 119 4.167 -9.828 0.535 542 3HG1 VAL 119 3HG1 VAL 119 2.455 -10.073 0.952 543 1HG2 VAL 119 1HG2 VAL 119 4.602 -6.855 2.764 544 2HG2 VAL 119 2HG2 VAL 119 4.955 -7.384 1.103 545 3HG2 VAL 119 3HG2 VAL 119 3.456 -6.490 1.452 546 H LYS 120 H LYS 120 -0.256 -9.201 2.240 547 HA LYS 120 HA LYS 120 0.220 -11.710 3.675 548 1HB LYS 120 1HB LYS 120 -1.913 -11.629 4.732 549 2HB LYS 120 2HB LYS 120 -1.094 -10.122 5.092 550 1HG LYS 120 1HG LYS 120 -2.393 -8.915 3.428 551 2HG LYS 120 2HG LYS 120 -3.038 -10.402 2.759 552 1HD LYS 120 1HD LYS 120 -3.528 -9.973 5.683 553 2HD LYS 120 2HD LYS 120 -4.360 -8.870 4.606 554 1HE LYS 120 1HE LYS 120 -5.873 -10.693 4.840 555 2HE LYS 120 2HE LYS 120 -5.120 -10.969 3.282 556 1HZ LYS 120 1HZ LYS 120 -3.905 -12.142 5.650 557 2HZ LYS 120 2HZ LYS 120 -5.236 -12.846 5.016 558 3HZ LYS 120 3HZ LYS 120 -3.889 -12.679 4.107 Start of MODEL 6 1 1H ALA 47 H ALA 47 1.150 -31.580 -1.007 2 HA ALA 47 HA ALA 47 -0.884 -31.418 -2.632 3 1HB ALA 47 1HB ALA 47 -1.608 -29.363 -0.542 4 2HB ALA 47 2HB ALA 47 -2.606 -30.043 -1.850 5 3HB ALA 47 3HB ALA 47 -2.235 -31.025 -0.412 6 H ALA 48 H ALA 48 -1.013 -29.196 -3.776 7 HA ALA 48 HA ALA 48 1.164 -27.417 -3.095 8 1HB ALA 48 1HB ALA 48 2.121 -27.626 -5.418 9 2HB ALA 48 2HB ALA 48 2.359 -29.066 -4.402 10 3HB ALA 48 3HB ALA 48 1.096 -29.060 -5.655 11 H GLU 49 H GLU 49 -0.624 -25.965 -2.711 12 HA GLU 49 HA GLU 49 -2.384 -25.468 -4.907 13 1HB GLU 49 1HB GLU 49 -2.090 -24.245 -2.137 14 2HB GLU 49 2HB GLU 49 -3.252 -23.644 -3.303 15 1HG GLU 49 1HG GLU 49 -4.530 -25.630 -3.269 16 2HG GLU 49 2HG GLU 49 -3.186 -26.610 -2.714 17 H GLU 50 H GLU 50 -2.707 -23.178 -5.750 18 HA GLU 50 HA GLU 50 -0.114 -22.133 -6.375 19 1HB GLU 50 1HB GLU 50 -2.879 -21.905 -7.476 20 2HB GLU 50 2HB GLU 50 -1.873 -20.484 -7.677 21 1HG GLU 50 1HG GLU 50 -0.672 -23.174 -8.335 22 2HG GLU 50 2HG GLU 50 -1.834 -22.495 -9.459 23 H LYS 51 H LYS 51 0.603 -19.972 -5.946 24 HA LYS 51 HA LYS 51 -1.108 -18.406 -4.173 25 1HB LYS 51 1HB LYS 51 0.440 -19.846 -2.802 26 2HB LYS 51 2HB LYS 51 1.793 -19.007 -3.534 27 1HG LYS 51 1HG LYS 51 1.202 -16.919 -2.543 28 2HG LYS 51 2HG LYS 51 -0.446 -17.426 -2.228 29 1HD LYS 51 1HD LYS 51 0.252 -18.920 -0.448 30 2HD LYS 51 2HD LYS 51 1.941 -18.772 -0.892 31 1HE LYS 51 1HE LYS 51 1.666 -17.343 1.013 32 2HE LYS 51 2HE LYS 51 1.748 -16.260 -0.363 33 1HZ LYS 51 1HZ LYS 51 -0.696 -17.162 0.993 34 2HZ LYS 51 2HZ LYS 51 -0.072 -15.653 0.999 35 3HZ LYS 51 3HZ LYS 51 -0.693 -16.276 -0.378 36 H THR 52 H THR 52 -1.435 -17.235 -6.227 37 HA THR 52 HA THR 52 0.865 -15.474 -6.766 38 HB THR 52 HB THR 52 -0.042 -15.471 -9.164 39 HG1 THR 52 1HG THR 52 -1.356 -17.889 -8.198 40 1HG2 THR 52 1HG2 THR 52 0.785 -18.165 -7.962 41 2HG2 THR 52 2HG2 THR 52 0.683 -17.841 -9.709 42 3HG2 THR 52 3HG2 THR 52 1.867 -16.965 -8.710 43 H GLU 53 H GLU 53 -1.338 -15.200 -4.802 44 HA GLU 53 HA GLU 53 -2.330 -12.701 -5.890 45 1HB GLU 53 1HB GLU 53 -3.980 -14.999 -4.852 46 2HB GLU 53 2HB GLU 53 -4.526 -13.370 -4.499 47 1HG GLU 53 1HG GLU 53 -4.558 -12.799 -6.890 48 2HG GLU 53 2HG GLU 53 -3.826 -14.334 -7.311 49 H PHE 54 H PHE 54 -1.053 -11.392 -4.581 50 HA PHE 54 HA PHE 54 -1.219 -11.923 -1.701 51 1HB PHE 54 1HB PHE 54 0.757 -10.340 -3.453 52 2HB PHE 54 2HB PHE 54 0.900 -10.487 -1.713 53 HD1 PHE 54 1HD PHE 54 1.932 -12.373 -0.735 54 HD2 PHE 54 2HD PHE 54 0.978 -12.418 -4.868 55 HE1 PHE 54 1HE PHE 54 3.280 -14.471 -1.023 56 HE2 PHE 54 2HE PHE 54 2.326 -14.516 -5.156 57 HZ PHE 54 HZ PHE 54 3.460 -15.517 -3.231 58 H ASP 55 H ASP 55 -1.634 -10.164 -0.252 59 HA ASP 55 HA ASP 55 -2.954 -7.959 -1.617 60 1HB ASP 55 1HB ASP 55 -3.263 -8.748 1.309 61 2HB ASP 55 2HB ASP 55 -4.314 -7.703 0.374 62 H VAL 56 H VAL 56 -2.419 -5.775 -0.953 63 HA VAL 56 HA VAL 56 -0.062 -5.615 0.796 64 HB VAL 56 HB VAL 56 -0.839 -3.970 -1.620 65 1HG1 VAL 56 1HG1 VAL 56 1.206 -2.700 -1.274 66 2HG1 VAL 56 2HG1 VAL 56 0.171 -2.579 0.169 67 3HG1 VAL 56 3HG1 VAL 56 1.588 -3.656 0.178 68 1HG2 VAL 56 1HG2 VAL 56 1.280 -6.057 -1.100 69 2HG2 VAL 56 2HG2 VAL 56 0.094 -5.965 -2.424 70 3HG2 VAL 56 3HG2 VAL 56 1.471 -4.837 -2.384 71 H ILE 57 H ILE 57 -0.583 -4.789 2.749 72 HA ILE 57 HA ILE 57 -2.794 -2.862 2.820 73 HB ILE 57 HB ILE 57 -1.702 -4.788 4.859 74 1HG1 ILE 57 1HG1 ILE 57 -4.549 -4.452 3.902 75 2HG1 ILE 57 2HG1 ILE 57 -3.403 -5.474 3.057 76 1HG2 ILE 57 1HG2 ILE 57 -3.112 -3.840 6.534 77 2HG2 ILE 57 2HG2 ILE 57 -2.110 -2.528 5.868 78 3HG2 ILE 57 3HG2 ILE 57 -3.814 -2.684 5.377 79 1HD1 ILE 57 1HD1 ILE 57 -4.597 -6.884 4.617 80 2HD1 ILE 57 2HD1 ILE 57 -2.957 -6.665 5.273 81 3HD1 ILE 57 3HD1 ILE 57 -4.319 -5.741 5.953 82 H LEU 58 H LEU 58 -2.520 -0.846 3.845 83 HA LEU 58 HA LEU 58 0.281 -0.136 4.294 84 1HB LEU 58 1HB LEU 58 -0.676 1.280 2.709 85 2HB LEU 58 2HB LEU 58 -2.191 1.406 3.580 86 HG LEU 58 HG LEU 58 -1.063 2.745 5.335 87 1HD1 LEU 58 1HD1 LEU 58 1.175 2.072 5.323 88 2HD1 LEU 58 2HD1 LEU 58 1.342 2.318 3.568 89 3HD1 LEU 58 3HD1 LEU 58 1.214 3.722 4.654 90 1HD2 LEU 58 1HD2 LEU 58 -0.694 4.787 3.916 91 2HD2 LEU 58 2HD2 LEU 58 -0.910 3.750 2.486 92 3HD2 LEU 58 3HD2 LEU 58 -2.241 3.945 3.650 93 H LYS 59 H LYS 59 1.005 -0.229 6.346 94 HA LYS 59 HA LYS 59 -0.981 -0.324 8.457 95 1HB LYS 59 1HB LYS 59 1.823 -1.240 8.084 96 2HB LYS 59 2HB LYS 59 1.382 -0.745 9.705 97 1HG LYS 59 1HG LYS 59 -0.500 -2.559 8.182 98 2HG LYS 59 2HG LYS 59 0.957 -3.249 8.873 99 1HD LYS 59 1HD LYS 59 0.298 -2.210 11.109 100 2HD LYS 59 2HD LYS 59 -1.222 -1.731 10.380 101 1HE LYS 59 1HE LYS 59 -1.727 -3.806 11.426 102 2HE LYS 59 2HE LYS 59 -1.527 -4.229 9.738 103 1HZ LYS 59 1HZ LYS 59 -0.039 -5.105 11.926 104 2HZ LYS 59 2HZ LYS 59 0.051 -5.599 10.373 105 3HZ LYS 59 3HZ LYS 59 0.968 -4.350 10.888 106 H ALA 60 H ALA 60 2.183 1.378 7.870 107 HA ALA 60 HA ALA 60 1.011 3.726 9.158 108 1HB ALA 60 1HB ALA 60 3.807 2.868 9.880 109 2HB ALA 60 2HB ALA 60 2.666 3.888 10.788 110 3HB ALA 60 3HB ALA 60 2.423 2.126 10.717 111 H ALA 61 H ALA 61 1.441 5.554 8.006 112 HA ALA 61 HA ALA 61 2.897 5.390 5.604 113 1HB ALA 61 1HB ALA 61 2.287 7.984 7.018 114 2HB ALA 61 2HB ALA 61 2.182 7.588 5.285 115 3HB ALA 61 3HB ALA 61 0.953 6.971 6.416 116 H GLY 62 H GLY 62 3.770 6.025 8.954 117 1HA GLY 62 1HA GLY 62 5.821 6.221 9.886 118 2HA GLY 62 2HA GLY 62 6.555 6.048 8.304 119 H ALA 63 H ALA 63 8.076 7.764 8.724 120 HA ALA 63 HA ALA 63 6.954 10.381 9.295 121 1HB ALA 63 1HB ALA 63 9.878 9.726 8.882 122 2HB ALA 63 2HB ALA 63 9.143 10.986 9.902 123 3HB ALA 63 3HB ALA 63 9.047 9.277 10.392 124 H ASN 64 H ASN 64 6.187 9.219 6.781 125 HA ASN 64 HA ASN 64 7.250 11.272 5.094 126 1HB ASN 64 1HB ASN 64 8.625 8.977 4.891 127 2HB ASN 64 2HB ASN 64 7.247 8.466 3.937 128 1HD2 ASN 64 1HD2 ASN 64 10.045 8.980 3.205 129 2HD2 ASN 64 2HD2 ASN 64 10.026 10.133 1.913 130 H LYS 65 H LYS 65 4.752 11.404 5.995 131 HA LYS 65 HA LYS 65 2.858 9.695 4.836 132 1HB LYS 65 1HB LYS 65 2.826 11.546 6.814 133 2HB LYS 65 2HB LYS 65 2.061 12.469 5.537 134 1HG LYS 65 1HG LYS 65 0.172 11.158 5.531 135 2HG LYS 65 2HG LYS 65 1.077 9.671 5.750 136 1HD LYS 65 1HD LYS 65 1.131 9.885 8.101 137 2HD LYS 65 2HD LYS 65 0.920 11.624 8.054 138 1HE LYS 65 1HE LYS 65 -1.402 11.483 7.742 139 2HE LYS 65 2HE LYS 65 -1.313 9.917 6.958 140 1HZ LYS 65 1HZ LYS 65 -0.433 9.998 9.698 141 2HZ LYS 65 2HZ LYS 65 -2.032 10.233 9.462 142 3HZ LYS 65 3HZ LYS 65 -1.318 8.868 8.919 143 H VAL 66 H VAL 66 4.672 12.463 3.631 144 HA VAL 66 HA VAL 66 2.864 13.236 1.622 145 HB VAL 66 HB VAL 66 5.846 13.555 1.967 146 1HG1 VAL 66 1HG1 VAL 66 4.039 14.915 -0.059 147 2HG1 VAL 66 2HG1 VAL 66 5.760 15.271 0.223 148 3HG1 VAL 66 3HG1 VAL 66 5.274 13.684 -0.423 149 1HG2 VAL 66 1HG2 VAL 66 3.731 15.694 2.227 150 2HG2 VAL 66 2HG2 VAL 66 4.149 14.629 3.590 151 3HG2 VAL 66 3HG2 VAL 66 5.394 15.674 2.863 152 H ALA 67 H ALA 67 5.954 11.324 1.397 153 HA ALA 67 HA ALA 67 5.658 10.658 -1.264 154 1HB ALA 67 1HB ALA 67 7.315 8.907 -0.762 155 2HB ALA 67 2HB ALA 67 7.731 10.424 0.069 156 3HB ALA 67 3HB ALA 67 6.991 9.086 0.977 157 H VAL 68 H VAL 68 4.370 9.102 1.709 158 HA VAL 68 HA VAL 68 3.496 6.746 0.516 159 HB VAL 68 HB VAL 68 2.582 8.327 2.917 160 1HG1 VAL 68 1HG1 VAL 68 1.606 5.636 1.921 161 2HG1 VAL 68 2HG1 VAL 68 1.434 6.173 3.609 162 3HG1 VAL 68 3HG1 VAL 68 0.645 7.086 2.301 163 1HG2 VAL 68 1HG2 VAL 68 3.783 5.664 3.269 164 2HG2 VAL 68 2HG2 VAL 68 4.865 6.849 2.496 165 3HG2 VAL 68 3HG2 VAL 68 4.141 7.204 4.085 166 H ILE 69 H ILE 69 1.645 9.793 1.244 167 HA ILE 69 HA ILE 69 -0.732 8.982 0.131 168 HB ILE 69 HB ILE 69 0.563 11.654 0.555 169 1HG1 ILE 69 1HG1 ILE 69 -1.963 10.560 1.793 170 2HG1 ILE 69 2HG1 ILE 69 -0.383 10.124 2.412 171 1HG2 ILE 69 1HG2 ILE 69 -1.681 12.665 0.013 172 2HG2 ILE 69 2HG2 ILE 69 -0.743 12.079 -1.383 173 3HG2 ILE 69 3HG2 ILE 69 -2.107 11.120 -0.761 174 1HD1 ILE 69 1HD1 ILE 69 -1.104 12.038 3.681 175 2HD1 ILE 69 2HD1 ILE 69 0.143 12.631 2.556 176 3HD1 ILE 69 3HD1 ILE 69 -1.579 12.918 2.206 177 H LYS 70 H LYS 70 2.234 10.239 -1.420 178 HA LYS 70 HA LYS 70 1.063 10.678 -3.942 179 1HB LYS 70 1HB LYS 70 3.911 10.263 -3.011 180 2HB LYS 70 2HB LYS 70 3.503 10.557 -4.690 181 1HG LYS 70 1HG LYS 70 2.052 12.521 -3.252 182 2HG LYS 70 2HG LYS 70 3.609 12.450 -2.450 183 1HD LYS 70 1HD LYS 70 4.783 12.811 -4.588 184 2HD LYS 70 2HD LYS 70 3.273 12.727 -5.474 185 1HE LYS 70 1HE LYS 70 2.744 14.897 -5.000 186 2HE LYS 70 2HE LYS 70 3.148 14.716 -3.303 187 1HZ LYS 70 1HZ LYS 70 5.507 14.839 -4.002 188 2HZ LYS 70 2HZ LYS 70 5.013 15.233 -5.509 189 3HZ LYS 70 3HZ LYS 70 4.664 16.216 -4.252 190 H ALA 71 H ALA 71 2.997 7.916 -2.593 191 HA ALA 71 HA ALA 71 2.902 6.331 -4.848 192 1HB ALA 71 1HB ALA 71 4.379 5.619 -3.197 193 2HB ALA 71 2HB ALA 71 3.199 5.865 -1.887 194 3HB ALA 71 3HB ALA 71 3.040 4.466 -2.977 195 H VAL 72 H VAL 72 0.521 6.781 -2.187 196 HA VAL 72 HA VAL 72 -1.148 4.660 -2.903 197 HB VAL 72 HB VAL 72 -1.655 7.274 -1.477 198 1HG1 VAL 72 1HG1 VAL 72 -3.782 6.504 -2.309 199 2HG1 VAL 72 2HG1 VAL 72 -3.450 4.844 -1.761 200 3HG1 VAL 72 3HG1 VAL 72 -3.696 6.143 -0.569 201 1HG2 VAL 72 1HG2 VAL 72 -1.798 4.916 0.170 202 2HG2 VAL 72 2HG2 VAL 72 -0.259 4.928 -0.724 203 3HG2 VAL 72 3HG2 VAL 72 -0.705 6.314 0.297 204 H ARG 73 H ARG 73 -1.734 8.209 -3.452 205 HA ARG 73 HA ARG 73 -3.821 7.917 -5.116 206 1HB ARG 73 1HB ARG 73 -2.121 10.020 -4.288 207 2HB ARG 73 2HB ARG 73 -2.034 10.074 -6.037 208 1HG ARG 73 1HG ARG 73 -4.531 10.121 -6.165 209 2HG ARG 73 2HG ARG 73 -4.623 10.060 -4.415 210 1HD ARG 73 1HD ARG 73 -4.840 12.381 -4.958 211 2HD ARG 73 2HD ARG 73 -3.193 12.209 -4.384 212 HE ARG 73 HE ARG 73 -3.964 12.358 -7.282 213 1HH1 ARG 73 2HH2 ARG 73 -1.245 11.968 -5.172 214 2HH1 ARG 73 1HH2 ARG 73 -0.375 13.348 -5.754 215 1HH2 ARG 73 2HH1 ARG 73 -2.709 14.059 -8.308 216 2HH2 ARG 73 1HH1 ARG 73 -1.070 14.282 -7.796 217 H GLY 74 H GLY 74 -0.337 7.545 -5.817 218 1HA GLY 74 1HA GLY 74 -0.565 7.676 -8.657 219 2HA GLY 74 2HA GLY 74 0.805 7.116 -7.718 220 H ALA 75 H ALA 75 -0.934 5.138 -6.180 221 HA ALA 75 HA ALA 75 -0.621 3.031 -8.134 222 1HB ALA 75 1HB ALA 75 -0.961 1.569 -6.174 223 2HB ALA 75 2HB ALA 75 0.278 2.805 -5.844 224 3HB ALA 75 3HB ALA 75 -1.362 2.990 -5.180 225 H THR 76 H THR 76 -3.148 4.983 -6.634 226 HA THR 76 HA THR 76 -5.165 3.194 -7.826 227 HB THR 76 HB THR 76 -6.664 4.167 -6.024 228 HG1 THR 76 1HG THR 76 -5.725 5.760 -4.761 229 1HG2 THR 76 1HG2 THR 76 -5.937 2.681 -4.403 230 2HG2 THR 76 2HG2 THR 76 -4.821 2.148 -5.683 231 3HG2 THR 76 3HG2 THR 76 -4.270 3.305 -4.448 232 H GLY 77 H GLY 77 -5.018 6.658 -6.755 233 1HA GLY 77 1HA GLY 77 -5.106 8.373 -8.491 234 2HA GLY 77 2HA GLY 77 -6.203 7.336 -9.382 235 H LEU 78 H LEU 78 -6.547 7.262 -5.897 236 HA LEU 78 HA LEU 78 -9.199 8.234 -6.094 237 1HB LEU 78 1HB LEU 78 -7.406 7.423 -3.818 238 2HB LEU 78 2HB LEU 78 -9.007 8.080 -3.540 239 HG LEU 78 HG LEU 78 -8.463 5.625 -5.230 240 1HD1 LEU 78 1HD1 LEU 78 -7.754 5.241 -2.914 241 2HD1 LEU 78 2HD1 LEU 78 -9.354 5.760 -2.336 242 3HD1 LEU 78 3HD1 LEU 78 -9.200 4.290 -3.328 243 1HD2 LEU 78 1HD2 LEU 78 -10.539 6.143 -5.934 244 2HD2 LEU 78 2HD2 LEU 78 -11.024 5.395 -4.395 245 3HD2 LEU 78 3HD2 LEU 78 -10.887 7.166 -4.520 246 H GLY 79 H GLY 79 -10.107 10.138 -5.057 247 1HA GLY 79 1HA GLY 79 -8.818 12.512 -5.628 248 2HA GLY 79 2HA GLY 79 -10.156 12.318 -4.514 249 H LEU 80 H LEU 80 -7.607 14.022 -4.438 250 HA LEU 80 HA LEU 80 -5.709 13.206 -2.734 251 1HB LEU 80 1HB LEU 80 -6.224 15.497 -3.862 252 2HB LEU 80 2HB LEU 80 -6.991 15.886 -2.335 253 HG LEU 80 HG LEU 80 -4.683 15.075 -1.325 254 1HD1 LEU 80 1HD1 LEU 80 -3.889 14.376 -3.638 255 2HD1 LEU 80 2HD1 LEU 80 -3.733 16.113 -3.997 256 3HD1 LEU 80 3HD1 LEU 80 -2.780 15.387 -2.679 257 1HD2 LEU 80 1HD2 LEU 80 -4.992 17.774 -2.666 258 2HD2 LEU 80 2HD2 LEU 80 -5.691 17.314 -1.095 259 3HD2 LEU 80 3HD2 LEU 80 -3.924 17.376 -1.297 260 H LYS 81 H LYS 81 -9.021 14.333 -1.819 261 HA LYS 81 HA LYS 81 -8.631 14.145 0.932 262 1HB LYS 81 1HB LYS 81 -10.472 15.377 -0.097 263 2HB LYS 81 2HB LYS 81 -11.160 13.893 -0.725 264 1HG LYS 81 1HG LYS 81 -11.464 13.034 1.595 265 2HG LYS 81 2HG LYS 81 -10.735 14.490 2.242 266 1HD LYS 81 1HD LYS 81 -12.577 15.842 1.666 267 2HD LYS 81 2HD LYS 81 -13.093 14.776 0.376 268 1HE LYS 81 1HE LYS 81 -13.861 13.092 2.016 269 2HE LYS 81 2HE LYS 81 -13.236 14.052 3.341 270 1HZ LYS 81 1HZ LYS 81 -15.418 14.788 1.521 271 2HZ LYS 81 2HZ LYS 81 -15.526 14.486 3.123 272 3HZ LYS 81 3HZ LYS 81 -14.759 15.828 2.595 273 H GLU 82 H GLU 82 -10.439 11.815 -1.202 274 HA GLU 82 HA GLU 82 -10.871 9.890 0.559 275 1HB GLU 82 1HB GLU 82 -10.111 9.746 -2.369 276 2HB GLU 82 2HB GLU 82 -10.439 8.271 -1.478 277 1HG GLU 82 1HG GLU 82 -12.379 10.623 -1.480 278 2HG GLU 82 2HG GLU 82 -12.438 9.368 -2.704 279 H ALA 83 H ALA 83 -7.771 10.405 -1.237 280 HA ALA 83 HA ALA 83 -6.501 8.103 -0.294 281 1HB ALA 83 1HB ALA 83 -5.560 9.148 -2.181 282 2HB ALA 83 2HB ALA 83 -5.599 10.759 -1.427 283 3HB ALA 83 3HB ALA 83 -4.414 9.550 -0.880 284 H LYS 84 H LYS 84 -6.579 11.510 0.931 285 HA LYS 84 HA LYS 84 -4.774 11.163 2.997 286 1HB LYS 84 1HB LYS 84 -5.626 13.330 2.153 287 2HB LYS 84 2HB LYS 84 -7.184 13.000 2.883 288 1HG LYS 84 1HG LYS 84 -6.210 14.226 4.602 289 2HG LYS 84 2HG LYS 84 -5.727 12.614 5.090 290 1HD LYS 84 1HD LYS 84 -3.619 13.515 5.132 291 2HD LYS 84 2HD LYS 84 -3.657 13.222 3.404 292 1HE LYS 84 1HE LYS 84 -3.043 15.490 3.485 293 2HE LYS 84 2HE LYS 84 -4.776 15.604 3.255 294 1HZ LYS 84 1HZ LYS 84 -3.590 15.576 5.932 295 2HZ LYS 84 2HZ LYS 84 -3.776 16.962 5.090 296 3HZ LYS 84 3HZ LYS 84 -5.083 16.072 5.495 297 H ASP 85 H ASP 85 -8.393 10.854 3.036 298 HA ASP 85 HA ASP 85 -8.629 10.242 5.669 299 1HB ASP 85 1HB ASP 85 -10.203 9.240 3.256 300 2HB ASP 85 2HB ASP 85 -10.716 8.934 4.904 301 H LEU 86 H LEU 86 -8.122 8.068 2.802 302 HA LEU 86 HA LEU 86 -8.349 5.633 3.997 303 1HB LEU 86 1HB LEU 86 -8.102 6.000 1.609 304 2HB LEU 86 2HB LEU 86 -6.441 6.515 1.827 305 HG LEU 86 HG LEU 86 -6.298 4.062 2.961 306 1HD1 LEU 86 1HD1 LEU 86 -7.537 2.494 1.434 307 2HD1 LEU 86 2HD1 LEU 86 -8.552 3.392 2.589 308 3HD1 LEU 86 3HD1 LEU 86 -8.490 3.893 0.883 309 1HD2 LEU 86 1HD2 LEU 86 -5.518 3.288 0.643 310 2HD2 LEU 86 2HD2 LEU 86 -5.928 4.932 0.098 311 3HD2 LEU 86 3HD2 LEU 86 -4.705 4.695 1.369 312 H VAL 87 H VAL 87 -5.259 7.516 3.606 313 HA VAL 87 HA VAL 87 -3.731 5.719 5.079 314 HB VAL 87 HB VAL 87 -3.372 8.681 4.587 315 1HG1 VAL 87 1HG1 VAL 87 -1.251 6.626 5.285 316 2HG1 VAL 87 2HG1 VAL 87 -1.036 8.381 5.079 317 3HG1 VAL 87 3HG1 VAL 87 -1.976 7.754 6.456 318 1HG2 VAL 87 1HG2 VAL 87 -2.857 6.230 2.955 319 2HG2 VAL 87 2HG2 VAL 87 -3.383 7.854 2.451 320 3HG2 VAL 87 3HG2 VAL 87 -1.677 7.560 2.865 321 H GLU 88 H GLU 88 -5.742 8.528 6.038 322 HA GLU 88 HA GLU 88 -4.684 8.653 8.633 323 1HB GLU 88 1HB GLU 88 -7.127 9.800 7.258 324 2HB GLU 88 2HB GLU 88 -6.940 9.978 8.992 325 1HG GLU 88 1HG GLU 88 -4.651 10.706 7.138 326 2HG GLU 88 2HG GLU 88 -5.968 11.834 7.386 327 H SER 89 H SER 89 -6.814 6.445 7.075 328 HA SER 89 HA SER 89 -8.042 5.759 9.623 329 1HB SER 89 1HB SER 89 -8.846 5.201 6.743 330 2HB SER 89 2HB SER 89 -9.587 4.356 8.087 331 HG SER 89 HG SER 89 -10.671 6.138 8.682 332 H ALA 90 H ALA 90 -5.229 5.116 8.540 333 HA ALA 90 HA ALA 90 -5.018 2.502 7.719 334 1HB ALA 90 1HB ALA 90 -3.240 4.219 9.491 335 2HB ALA 90 2HB ALA 90 -2.744 2.644 8.826 336 3HB ALA 90 3HB ALA 90 -3.125 3.993 7.730 337 HA PRO 91 HA PRO 91 -3.731 0.934 8.097 338 1HB PRO 91 1HB PRO 91 -4.198 -1.757 7.987 339 2HB PRO 91 2HB PRO 91 -2.876 -1.050 8.895 340 1HG PRO 91 1HG PRO 91 -5.419 -2.179 9.896 341 2HG PRO 91 2HG PRO 91 -3.936 -1.867 10.775 342 1HD PRO 91 1HD PRO 91 -6.333 -0.294 10.841 343 2HD PRO 91 2HD PRO 91 -4.812 0.080 11.628 344 H ALA 92 H ALA 92 -4.082 0.265 5.870 345 HA ALA 92 HA ALA 92 -6.937 0.029 5.292 346 1HB ALA 92 1HB ALA 92 -5.100 2.028 3.919 347 2HB ALA 92 2HB ALA 92 -6.855 1.832 3.689 348 3HB ALA 92 3HB ALA 92 -6.224 2.455 5.233 349 H ALA 93 H ALA 93 -7.324 -0.749 3.041 350 HA ALA 93 HA ALA 93 -5.191 -2.572 2.284 351 1HB ALA 93 1HB ALA 93 -7.532 -3.370 2.616 352 2HB ALA 93 2HB ALA 93 -8.055 -2.315 1.280 353 3HB ALA 93 3HB ALA 93 -6.934 -3.662 0.966 354 H LEU 94 H LEU 94 -3.691 -1.863 0.854 355 HA LEU 94 HA LEU 94 -4.323 0.353 -0.868 356 1HB LEU 94 1HB LEU 94 -1.920 -1.109 0.024 357 2HB LEU 94 2HB LEU 94 -1.851 -0.489 -1.614 358 HG LEU 94 HG LEU 94 -2.387 1.142 0.882 359 1HD1 LEU 94 1HD1 LEU 94 0.043 1.084 -0.928 360 2HD1 LEU 94 2HD1 LEU 94 -0.193 2.116 0.502 361 3HD1 LEU 94 3HD1 LEU 94 -0.067 0.350 0.691 362 1HD2 LEU 94 1HD2 LEU 94 -3.420 2.547 -0.518 363 2HD2 LEU 94 2HD2 LEU 94 -1.785 2.929 -1.111 364 3HD2 LEU 94 3HD2 LEU 94 -2.785 1.730 -1.967 365 H LYS 95 H LYS 95 -3.522 -3.161 -1.195 366 HA LYS 95 HA LYS 95 -5.021 -3.149 -3.683 367 1HB LYS 95 1HB LYS 95 -2.382 -4.542 -3.767 368 2HB LYS 95 2HB LYS 95 -3.336 -3.861 -5.069 369 1HG LYS 95 1HG LYS 95 -2.805 -1.542 -4.148 370 2HG LYS 95 2HG LYS 95 -1.721 -2.302 -2.997 371 1HD LYS 95 1HD LYS 95 -1.463 -2.769 -5.997 372 2HD LYS 95 2HD LYS 95 -0.679 -1.417 -5.201 373 1HE LYS 95 1HE LYS 95 0.651 -2.885 -3.804 374 2HE LYS 95 2HE LYS 95 -0.308 -4.286 -4.238 375 1HZ LYS 95 1HZ LYS 95 0.642 -3.157 -6.578 376 2HZ LYS 95 2HZ LYS 95 1.909 -3.257 -5.553 377 3HZ LYS 95 3HZ LYS 95 1.049 -4.595 -5.923 378 H GLU 96 H GLU 96 -5.807 -5.276 -4.269 379 HA GLU 96 HA GLU 96 -5.538 -7.164 -2.063 380 1HB GLU 96 1HB GLU 96 -8.078 -6.489 -3.613 381 2HB GLU 96 2HB GLU 96 -7.947 -7.773 -2.428 382 1HG GLU 96 1HG GLU 96 -7.187 -5.995 -0.736 383 2HG GLU 96 2HG GLU 96 -7.604 -4.782 -1.930 384 H GLY 97 H GLY 97 -4.966 -9.228 -2.668 385 1HA GLY 97 1HA GLY 97 -4.175 -10.824 -4.064 386 2HA GLY 97 2HA GLY 97 -5.787 -10.724 -4.747 387 H VAL 98 H VAL 98 -2.469 -9.305 -4.947 388 HA VAL 98 HA VAL 98 -2.986 -8.890 -7.808 389 HB VAL 98 HB VAL 98 -1.419 -6.955 -7.641 390 1HG1 VAL 98 1HG1 VAL 98 -3.866 -6.662 -7.761 391 2HG1 VAL 98 2HG1 VAL 98 -3.956 -6.724 -5.985 392 3HG1 VAL 98 3HG1 VAL 98 -3.093 -5.390 -6.787 393 1HG2 VAL 98 1HG2 VAL 98 -0.642 -6.094 -5.646 394 2HG2 VAL 98 2HG2 VAL 98 -1.946 -6.838 -4.689 395 3HG2 VAL 98 3HG2 VAL 98 -0.604 -7.839 -5.293 396 H SER 99 H SER 99 -0.778 -8.744 -9.032 397 HA SER 99 HA SER 99 0.503 -11.155 -8.641 398 1HB SER 99 1HB SER 99 2.143 -10.294 -10.326 399 2HB SER 99 2HB SER 99 0.477 -10.063 -10.815 400 HG SER 99 HG SER 99 0.669 -7.906 -10.653 401 H LYS 100 H LYS 100 2.490 -11.740 -7.656 402 HA LYS 100 HA LYS 100 3.222 -10.380 -5.382 403 1HB LYS 100 1HB LYS 100 3.679 -12.809 -6.149 404 2HB LYS 100 2HB LYS 100 5.113 -12.161 -6.919 405 1HG LYS 100 1HG LYS 100 5.340 -10.985 -4.453 406 2HG LYS 100 2HG LYS 100 4.484 -12.446 -4.006 407 1HD LYS 100 1HD LYS 100 6.268 -13.715 -5.426 408 2HD LYS 100 2HD LYS 100 7.178 -12.217 -5.404 409 1HE LYS 100 1HE LYS 100 6.521 -12.479 -2.727 410 2HE LYS 100 2HE LYS 100 6.673 -14.159 -3.200 411 1HZ LYS 100 1HZ LYS 100 8.764 -13.164 -2.495 412 2HZ LYS 100 2HZ LYS 100 8.847 -13.706 -4.034 413 3HZ LYS 100 3HZ LYS 100 8.706 -12.107 -3.739 414 H ASP 101 H ASP 101 4.570 -10.195 -8.720 415 HA ASP 101 HA ASP 101 6.816 -8.782 -8.128 416 1HB ASP 101 1HB ASP 101 4.965 -8.728 -10.545 417 2HB ASP 101 2HB ASP 101 6.455 -7.806 -10.519 418 H ASP 102 H ASP 102 3.424 -7.691 -8.743 419 HA ASP 102 HA ASP 102 4.021 -4.971 -8.796 420 1HB ASP 102 1HB ASP 102 1.498 -6.581 -8.263 421 2HB ASP 102 2HB ASP 102 1.474 -4.831 -8.160 422 H ALA 103 H ALA 103 3.170 -7.351 -6.243 423 HA ALA 103 HA ALA 103 2.582 -5.536 -4.200 424 1HB ALA 103 1HB ALA 103 3.874 -8.228 -3.736 425 2HB ALA 103 2HB ALA 103 2.572 -7.431 -2.821 426 3HB ALA 103 3HB ALA 103 2.236 -8.123 -4.426 427 H GLU 104 H GLU 104 5.662 -7.160 -5.201 428 HA GLU 104 HA GLU 104 7.109 -6.070 -3.071 429 1HB GLU 104 1HB GLU 104 7.607 -7.768 -5.404 430 2HB GLU 104 2HB GLU 104 8.935 -6.655 -5.147 431 1HG GLU 104 1HG GLU 104 9.552 -8.450 -3.764 432 2HG GLU 104 2HG GLU 104 8.763 -7.382 -2.622 433 H ALA 105 H ALA 105 6.095 -4.851 -6.208 434 HA ALA 105 HA ALA 105 8.148 -2.923 -6.511 435 1HB ALA 105 1HB ALA 105 6.389 -1.948 -8.130 436 2HB ALA 105 2HB ALA 105 6.984 -3.592 -8.462 437 3HB ALA 105 3HB ALA 105 5.392 -3.360 -7.699 438 H LEU 106 H LEU 106 4.728 -2.805 -5.296 439 HA LEU 106 HA LEU 106 4.842 -0.067 -4.667 440 1HB LEU 106 1HB LEU 106 2.766 -1.221 -5.075 441 2HB LEU 106 2HB LEU 106 3.042 -2.301 -3.723 442 HG LEU 106 HG LEU 106 1.370 -0.528 -3.270 443 1HD1 LEU 106 1HD1 LEU 106 3.114 -1.611 -1.566 444 2HD1 LEU 106 2HD1 LEU 106 3.593 0.094 -1.391 445 3HD1 LEU 106 3HD1 LEU 106 1.913 -0.394 -1.069 446 1HD2 LEU 106 1HD2 LEU 106 3.697 1.409 -3.340 447 2HD2 LEU 106 2HD2 LEU 106 2.485 1.242 -4.632 448 3HD2 LEU 106 3HD2 LEU 106 1.986 1.774 -3.009 449 H LYS 107 H LYS 107 5.415 -3.081 -2.761 450 HA LYS 107 HA LYS 107 5.683 -1.874 -0.288 451 1HB LYS 107 1HB LYS 107 5.440 -4.262 -0.536 452 2HB LYS 107 2HB LYS 107 6.940 -4.380 -1.436 453 1HG LYS 107 1HG LYS 107 8.244 -3.676 0.527 454 2HG LYS 107 2HG LYS 107 6.780 -3.343 1.432 455 1HD LYS 107 1HD LYS 107 6.151 -5.811 1.139 456 2HD LYS 107 2HD LYS 107 7.745 -6.071 0.460 457 1HE LYS 107 1HE LYS 107 8.752 -5.124 2.589 458 2HE LYS 107 2HE LYS 107 7.137 -5.016 3.263 459 1HZ LYS 107 1HZ LYS 107 7.209 -7.152 3.730 460 2HZ LYS 107 2HZ LYS 107 7.566 -7.571 2.194 461 3HZ LYS 107 3HZ LYS 107 8.765 -7.211 3.242 462 H LYS 108 H LYS 108 8.181 -2.555 -2.824 463 HA LYS 108 HA LYS 108 10.363 -1.666 -1.405 464 1HB LYS 108 1HB LYS 108 9.686 -1.889 -4.321 465 2HB LYS 108 2HB LYS 108 11.166 -1.079 -3.853 466 1HG LYS 108 1HG LYS 108 11.977 -3.042 -2.671 467 2HG LYS 108 2HG LYS 108 10.418 -3.835 -2.787 468 1HD LYS 108 1HD LYS 108 10.711 -4.417 -5.021 469 2HD LYS 108 2HD LYS 108 11.682 -3.003 -5.380 470 1HE LYS 108 1HE LYS 108 13.610 -3.987 -4.150 471 2HE LYS 108 2HE LYS 108 12.643 -5.380 -3.713 472 1HZ LYS 108 1HZ LYS 108 12.406 -5.882 -6.047 473 2HZ LYS 108 2HZ LYS 108 13.289 -4.573 -6.464 474 3HZ LYS 108 3HZ LYS 108 13.988 -5.801 -5.648 475 H ALA 109 H ALA 109 7.889 0.171 -3.251 476 HA ALA 109 HA ALA 109 9.307 2.601 -3.235 477 1HB ALA 109 1HB ALA 109 7.008 3.529 -3.780 478 2HB ALA 109 2HB ALA 109 7.560 2.213 -4.844 479 3HB ALA 109 3HB ALA 109 6.370 1.882 -3.562 480 H LEU 110 H LEU 110 6.910 1.082 -1.016 481 HA LEU 110 HA LEU 110 6.574 3.341 0.612 482 1HB LEU 110 1HB LEU 110 6.034 0.416 0.831 483 2HB LEU 110 2HB LEU 110 5.972 1.384 2.289 484 HG LEU 110 HG LEU 110 3.824 0.938 0.818 485 1HD1 LEU 110 1HD1 LEU 110 4.003 2.249 2.938 486 2HD1 LEU 110 2HD1 LEU 110 4.344 3.695 1.957 487 3HD1 LEU 110 3HD1 LEU 110 2.781 2.858 1.796 488 1HD2 LEU 110 1HD2 LEU 110 3.328 2.559 -0.832 489 2HD2 LEU 110 2HD2 LEU 110 4.775 3.518 -0.439 490 3HD2 LEU 110 3HD2 LEU 110 4.947 1.930 -1.223 491 H GLU 111 H GLU 111 8.854 0.543 0.717 492 HA GLU 111 HA GLU 111 9.927 1.265 3.187 493 1HB GLU 111 1HB GLU 111 10.934 -0.484 0.914 494 2HB GLU 111 2HB GLU 111 11.851 -0.275 2.393 495 1HG GLU 111 1HG GLU 111 9.813 -1.038 3.701 496 2HG GLU 111 2HG GLU 111 9.003 -1.360 2.181 497 H GLU 112 H GLU 112 10.713 2.115 -0.204 498 HA GLU 112 HA GLU 112 13.194 3.212 0.250 499 1HB GLU 112 1HB GLU 112 11.038 3.598 -1.821 500 2HB GLU 112 2HB GLU 112 12.390 4.713 -1.816 501 1HG GLU 112 1HG GLU 112 12.766 1.687 -1.803 502 2HG GLU 112 2HG GLU 112 12.650 2.612 -3.286 503 H ALA 113 H ALA 113 9.896 4.544 0.690 504 HA ALA 113 HA ALA 113 10.910 7.188 1.218 505 1HB ALA 113 1HB ALA 113 8.225 5.837 1.048 506 2HB ALA 113 2HB ALA 113 8.357 7.403 1.884 507 3HB ALA 113 3HB ALA 113 8.835 7.263 0.174 508 H GLY 114 H GLY 114 10.014 4.240 2.975 509 1HA GLY 114 1HA GLY 114 10.899 3.835 5.118 510 2HA GLY 114 2HA GLY 114 10.883 5.554 5.460 511 H ALA 115 H ALA 115 8.467 3.061 4.346 512 HA ALA 115 HA ALA 115 6.721 4.008 6.509 513 1HB ALA 115 1HB ALA 115 4.810 3.704 4.938 514 2HB ALA 115 2HB ALA 115 5.943 4.968 4.397 515 3HB ALA 115 3HB ALA 115 5.968 3.362 3.630 516 H GLU 116 H GLU 116 5.105 2.345 7.191 517 HA GLU 116 HA GLU 116 6.400 -0.235 7.075 518 1HB GLU 116 1HB GLU 116 5.801 0.755 9.288 519 2HB GLU 116 2HB GLU 116 4.109 0.762 8.829 520 1HG GLU 116 1HG GLU 116 4.355 -1.238 10.095 521 2HG GLU 116 2HG GLU 116 4.352 -1.787 8.432 522 H VAL 117 H VAL 117 5.678 -1.820 5.723 523 HA VAL 117 HA VAL 117 2.926 -1.542 4.730 524 HB VAL 117 HB VAL 117 5.522 -2.211 3.446 525 1HG1 VAL 117 1HG1 VAL 117 4.272 -4.310 3.186 526 2HG1 VAL 117 2HG1 VAL 117 2.892 -3.411 2.512 527 3HG1 VAL 117 3HG1 VAL 117 4.437 -3.459 1.631 528 1HG2 VAL 117 1HG2 VAL 117 4.478 -0.034 3.079 529 2HG2 VAL 117 2HG2 VAL 117 4.507 -0.973 1.567 530 3HG2 VAL 117 3HG2 VAL 117 2.994 -0.823 2.494 531 H GLU 118 H GLU 118 1.839 -3.647 4.196 532 HA GLU 118 HA GLU 118 2.954 -5.848 5.727 533 1HB GLU 118 1HB GLU 118 1.349 -4.965 7.265 534 2HB GLU 118 2HB GLU 118 0.172 -4.663 6.004 535 1HG GLU 118 1HG GLU 118 -0.280 -7.016 5.715 536 2HG GLU 118 2HG GLU 118 1.140 -7.482 6.632 537 H VAL 119 H VAL 119 2.780 -7.833 4.695 538 HA VAL 119 HA VAL 119 1.233 -7.807 2.197 539 HB VAL 119 HB VAL 119 3.625 -9.499 2.941 540 1HG1 VAL 119 1HG1 VAL 119 2.005 -10.416 1.237 541 2HG1 VAL 119 2HG1 VAL 119 2.402 -9.018 0.209 542 3HG1 VAL 119 3HG1 VAL 119 3.669 -10.187 0.651 543 1HG2 VAL 119 1HG2 VAL 119 4.597 -7.920 1.012 544 2HG2 VAL 119 2HG2 VAL 119 3.408 -6.790 1.702 545 3HG2 VAL 119 3HG2 VAL 119 4.682 -7.482 2.735 546 H LYS 120 H LYS 120 -0.566 -9.045 2.163 547 HA LYS 120 HA LYS 120 -0.704 -11.201 4.155 548 1HB LYS 120 1HB LYS 120 -2.340 -8.963 3.922 549 2HB LYS 120 2HB LYS 120 -3.268 -10.227 3.139 550 1HG LYS 120 1HG LYS 120 -3.782 -11.145 5.146 551 2HG LYS 120 2HG LYS 120 -2.083 -11.349 5.522 552 1HD LYS 120 1HD LYS 120 -2.063 -8.857 6.194 553 2HD LYS 120 2HD LYS 120 -3.810 -8.895 6.068 554 1HE LYS 120 1HE LYS 120 -4.012 -10.522 7.837 555 2HE LYS 120 2HE LYS 120 -2.305 -10.913 7.782 556 1HZ LYS 120 1HZ LYS 120 -3.100 -8.177 8.366 557 2HZ LYS 120 2HZ LYS 120 -3.202 -9.300 9.548 558 3HZ LYS 120 3HZ LYS 120 -1.763 -8.987 8.840 Start of MODEL 7 1 1H ALA 47 H ALA 47 -5.944 -29.470 -3.083 2 HA ALA 47 HA ALA 47 -5.120 -29.718 -5.628 3 1HB ALA 47 1HB ALA 47 -7.460 -29.337 -6.348 4 2HB ALA 47 2HB ALA 47 -7.463 -27.779 -5.489 5 3HB ALA 47 3HB ALA 47 -6.386 -28.023 -6.884 6 H ALA 48 H ALA 48 -3.160 -28.952 -4.954 7 HA ALA 48 HA ALA 48 -3.081 -26.594 -3.279 8 1HB ALA 48 1HB ALA 48 -1.632 -28.506 -2.772 9 2HB ALA 48 2HB ALA 48 -0.914 -28.418 -4.398 10 3HB ALA 48 3HB ALA 48 -0.644 -27.099 -3.234 11 H GLU 49 H GLU 49 -4.055 -25.116 -4.876 12 HA GLU 49 HA GLU 49 -2.862 -24.734 -7.364 13 1HB GLU 49 1HB GLU 49 -4.622 -22.943 -5.642 14 2HB GLU 49 2HB GLU 49 -4.130 -22.507 -7.266 15 1HG GLU 49 1HG GLU 49 -5.117 -24.723 -8.072 16 2HG GLU 49 2HG GLU 49 -5.749 -24.965 -6.454 17 H GLU 50 H GLU 50 -1.931 -22.427 -7.987 18 HA GLU 50 HA GLU 50 0.348 -22.095 -6.285 19 1HB GLU 50 1HB GLU 50 -0.264 -21.725 -9.079 20 2HB GLU 50 2HB GLU 50 0.330 -20.201 -8.450 21 1HG GLU 50 1HG GLU 50 2.281 -21.494 -7.409 22 2HG GLU 50 2HG GLU 50 1.726 -22.910 -8.278 23 H LYS 51 H LYS 51 0.996 -20.089 -5.285 24 HA LYS 51 HA LYS 51 -1.291 -18.462 -4.563 25 1HB LYS 51 1HB LYS 51 0.074 -17.663 -2.764 26 2HB LYS 51 2HB LYS 51 0.226 -19.408 -2.836 27 1HG LYS 51 1HG LYS 51 2.303 -18.768 -4.458 28 2HG LYS 51 2HG LYS 51 2.254 -17.291 -3.514 29 1HD LYS 51 1HD LYS 51 2.511 -18.532 -1.422 30 2HD LYS 51 2HD LYS 51 2.311 -20.066 -2.244 31 1HE LYS 51 1HE LYS 51 4.542 -18.192 -3.088 32 2HE LYS 51 2HE LYS 51 4.745 -19.197 -1.666 33 1HZ LYS 51 1HZ LYS 51 3.879 -20.334 -4.221 34 2HZ LYS 51 2HZ LYS 51 5.460 -20.147 -3.860 35 3HZ LYS 51 3HZ LYS 51 4.520 -21.111 -2.936 36 H THR 52 H THR 52 -1.784 -17.084 -6.248 37 HA THR 52 HA THR 52 0.386 -15.241 -7.002 38 HB THR 52 HB THR 52 -0.847 -15.225 -9.284 39 HG1 THR 52 1HG THR 52 -2.774 -16.298 -8.469 40 1HG2 THR 52 1HG2 THR 52 0.055 -17.489 -9.992 41 2HG2 THR 52 2HG2 THR 52 1.257 -16.504 -9.123 42 3HG2 THR 52 3HG2 THR 52 0.417 -17.831 -8.283 43 H GLU 53 H GLU 53 -1.661 -15.123 -4.828 44 HA GLU 53 HA GLU 53 -2.877 -12.658 -5.774 45 1HB GLU 53 1HB GLU 53 -4.246 -14.935 -4.299 46 2HB GLU 53 2HB GLU 53 -4.884 -13.304 -4.254 47 1HG GLU 53 1HG GLU 53 -5.018 -13.268 -6.740 48 2HG GLU 53 2HG GLU 53 -4.326 -14.876 -6.815 49 H PHE 54 H PHE 54 -1.492 -11.266 -4.669 50 HA PHE 54 HA PHE 54 -1.252 -11.745 -1.784 51 1HB PHE 54 1HB PHE 54 0.409 -10.181 -3.848 52 2HB PHE 54 2HB PHE 54 0.759 -10.156 -2.131 53 HD1 PHE 54 1HD PHE 54 1.973 -11.913 -1.106 54 HD2 PHE 54 2HD PHE 54 0.622 -12.346 -5.106 55 HE1 PHE 54 1HE PHE 54 3.401 -13.962 -1.366 56 HE2 PHE 54 2HE PHE 54 2.050 -14.394 -5.367 57 HZ PHE 54 HZ PHE 54 3.421 -15.177 -3.494 58 H ASP 55 H ASP 55 -1.693 -10.052 -0.316 59 HA ASP 55 HA ASP 55 -3.108 -7.831 -1.558 60 1HB ASP 55 1HB ASP 55 -3.266 -8.699 1.357 61 2HB ASP 55 2HB ASP 55 -4.368 -7.635 0.506 62 H VAL 56 H VAL 56 -2.541 -5.663 -0.886 63 HA VAL 56 HA VAL 56 -0.124 -5.526 0.785 64 HB VAL 56 HB VAL 56 -0.979 -3.725 -1.491 65 1HG1 VAL 56 1HG1 VAL 56 1.083 -3.515 0.602 66 2HG1 VAL 56 2HG1 VAL 56 1.693 -3.275 -1.053 67 3HG1 VAL 56 3HG1 VAL 56 0.366 -2.260 -0.436 68 1HG2 VAL 56 1HG2 VAL 56 1.299 -5.729 -1.427 69 2HG2 VAL 56 2HG2 VAL 56 -0.279 -6.026 -2.195 70 3HG2 VAL 56 3HG2 VAL 56 0.776 -4.727 -2.802 71 H ILE 57 H ILE 57 -0.612 -4.772 2.777 72 HA ILE 57 HA ILE 57 -2.810 -2.834 2.951 73 HB ILE 57 HB ILE 57 -1.737 -4.875 4.885 74 1HG1 ILE 57 1HG1 ILE 57 -4.618 -4.470 4.151 75 2HG1 ILE 57 2HG1 ILE 57 -3.556 -5.286 3.021 76 1HG2 ILE 57 1HG2 ILE 57 -3.609 -2.566 5.465 77 2HG2 ILE 57 2HG2 ILE 57 -3.349 -3.963 6.537 78 3HG2 ILE 57 3HG2 ILE 57 -2.002 -2.856 6.173 79 1HD1 ILE 57 1HD1 ILE 57 -4.832 -6.709 4.823 80 2HD1 ILE 57 2HD1 ILE 57 -3.120 -7.073 4.502 81 3HD1 ILE 57 3HD1 ILE 57 -3.572 -6.121 5.935 82 H LEU 58 H LEU 58 -2.517 -0.905 4.174 83 HA LEU 58 HA LEU 58 0.307 -0.255 4.604 84 1HB LEU 58 1HB LEU 58 -0.537 1.257 3.078 85 2HB LEU 58 2HB LEU 58 -2.109 1.337 3.848 86 HG LEU 58 HG LEU 58 -1.025 2.553 5.771 87 1HD1 LEU 58 1HD1 LEU 58 1.165 3.597 5.397 88 2HD1 LEU 58 2HD1 LEU 58 1.274 1.822 5.438 89 3HD1 LEU 58 3HD1 LEU 58 1.340 2.681 3.880 90 1HD2 LEU 58 1HD2 LEU 58 -0.917 3.822 3.021 91 2HD2 LEU 58 2HD2 LEU 58 -2.312 3.759 4.124 92 3HD2 LEU 58 3HD2 LEU 58 -0.872 4.711 4.563 93 H LYS 59 H LYS 59 1.032 -0.307 6.659 94 HA LYS 59 HA LYS 59 -0.980 -0.393 8.761 95 1HB LYS 59 1HB LYS 59 1.853 -1.339 8.476 96 2HB LYS 59 2HB LYS 59 1.222 -1.017 10.079 97 1HG LYS 59 1HG LYS 59 -0.480 -2.648 8.194 98 2HG LYS 59 2HG LYS 59 0.926 -3.418 8.901 99 1HD LYS 59 1HD LYS 59 -0.750 -1.874 10.829 100 2HD LYS 59 2HD LYS 59 -1.545 -3.265 10.118 101 1HE LYS 59 1HE LYS 59 -0.438 -4.042 12.124 102 2HE LYS 59 2HE LYS 59 0.474 -4.672 10.768 103 1HZ LYS 59 1HZ LYS 59 1.158 -2.247 12.279 104 2HZ LYS 59 2HZ LYS 59 1.902 -3.693 12.418 105 3HZ LYS 59 3HZ LYS 59 2.013 -2.848 11.025 106 H ALA 60 H ALA 60 2.201 1.220 8.056 107 HA ALA 60 HA ALA 60 1.164 3.558 9.481 108 1HB ALA 60 1HB ALA 60 4.003 2.582 9.873 109 2HB ALA 60 2HB ALA 60 3.069 3.734 10.858 110 3HB ALA 60 3HB ALA 60 2.677 1.999 10.908 111 H ALA 61 H ALA 61 1.471 5.410 8.326 112 HA ALA 61 HA ALA 61 2.672 5.281 5.778 113 1HB ALA 61 1HB ALA 61 1.877 7.678 7.480 114 2HB ALA 61 2HB ALA 61 2.166 7.685 5.724 115 3HB ALA 61 3HB ALA 61 0.790 6.777 6.396 116 H GLY 62 H GLY 62 3.823 6.026 9.042 117 1HA GLY 62 1HA GLY 62 5.991 6.171 9.739 118 2HA GLY 62 2HA GLY 62 6.544 6.157 8.077 119 H ALA 63 H ALA 63 8.031 7.916 8.875 120 HA ALA 63 HA ALA 63 6.725 10.437 9.468 121 1HB ALA 63 1HB ALA 63 9.047 11.193 9.882 122 2HB ALA 63 2HB ALA 63 8.667 9.714 10.793 123 3HB ALA 63 3HB ALA 63 9.655 9.619 9.317 124 H ASN 64 H ASN 64 6.147 9.347 6.870 125 HA ASN 64 HA ASN 64 7.144 11.551 5.340 126 1HB ASN 64 1HB ASN 64 8.721 9.453 5.050 127 2HB ASN 64 2HB ASN 64 7.396 8.761 4.136 128 1HD2 ASN 64 1HD2 ASN 64 9.932 9.324 3.101 129 2HD2 ASN 64 2HD2 ASN 64 9.817 10.557 1.889 130 H LYS 65 H LYS 65 4.638 11.624 6.035 131 HA LYS 65 HA LYS 65 2.860 9.823 4.824 132 1HB LYS 65 1HB LYS 65 2.664 11.677 6.777 133 2HB LYS 65 2HB LYS 65 1.949 12.582 5.459 134 1HG LYS 65 1HG LYS 65 0.283 10.855 5.057 135 2HG LYS 65 2HG LYS 65 1.100 9.730 6.126 136 1HD LYS 65 1HD LYS 65 -0.660 10.555 7.473 137 2HD LYS 65 2HD LYS 65 0.714 11.506 7.999 138 1HE LYS 65 1HE LYS 65 0.028 13.368 6.494 139 2HE LYS 65 2HE LYS 65 -1.320 12.415 5.907 140 1HZ LYS 65 1HZ LYS 65 -2.276 12.435 8.052 141 2HZ LYS 65 2HZ LYS 65 -0.957 13.109 8.736 142 3HZ LYS 65 3HZ LYS 65 -1.874 13.978 7.703 143 H VAL 66 H VAL 66 4.582 12.691 3.683 144 HA VAL 66 HA VAL 66 2.814 13.378 1.618 145 HB VAL 66 HB VAL 66 5.774 13.830 2.028 146 1HG1 VAL 66 1HG1 VAL 66 5.887 14.578 -0.071 147 2HG1 VAL 66 2HG1 VAL 66 4.142 14.318 -0.311 148 3HG1 VAL 66 3HG1 VAL 66 4.726 15.853 0.372 149 1HG2 VAL 66 1HG2 VAL 66 4.398 14.841 3.756 150 2HG2 VAL 66 2HG2 VAL 66 5.045 16.108 2.685 151 3HG2 VAL 66 3HG2 VAL 66 3.350 15.588 2.526 152 H ALA 67 H ALA 67 6.000 11.621 1.470 153 HA ALA 67 HA ALA 67 5.814 10.930 -1.191 154 1HB ALA 67 1HB ALA 67 7.850 10.774 0.202 155 2HB ALA 67 2HB ALA 67 7.128 9.421 1.104 156 3HB ALA 67 3HB ALA 67 7.511 9.233 -0.623 157 H VAL 68 H VAL 68 4.489 9.332 1.745 158 HA VAL 68 HA VAL 68 3.743 6.941 0.546 159 HB VAL 68 HB VAL 68 2.679 8.519 2.887 160 1HG1 VAL 68 1HG1 VAL 68 1.825 5.781 1.907 161 2HG1 VAL 68 2HG1 VAL 68 1.537 6.371 3.560 162 3HG1 VAL 68 3HG1 VAL 68 0.805 7.215 2.174 163 1HG2 VAL 68 1HG2 VAL 68 5.025 7.167 2.619 164 2HG2 VAL 68 2HG2 VAL 68 4.165 7.387 4.163 165 3HG2 VAL 68 3HG2 VAL 68 3.969 5.876 3.242 166 H ILE 69 H ILE 69 1.756 9.931 1.147 167 HA ILE 69 HA ILE 69 -0.551 9.015 -0.013 168 HB ILE 69 HB ILE 69 0.638 11.749 0.332 169 1HG1 ILE 69 1HG1 ILE 69 -1.864 10.664 1.605 170 2HG1 ILE 69 2HG1 ILE 69 -0.291 10.204 2.225 171 1HG2 ILE 69 1HG2 ILE 69 -2.017 11.057 -0.946 172 2HG2 ILE 69 2HG2 ILE 69 -1.626 12.654 -0.264 173 3HG2 ILE 69 3HG2 ILE 69 -0.684 12.017 -1.633 174 1HD1 ILE 69 1HD1 ILE 69 -1.275 12.234 3.357 175 2HD1 ILE 69 2HD1 ILE 69 0.316 12.537 2.622 176 3HD1 ILE 69 3HD1 ILE 69 -1.163 13.099 1.806 177 H LYS 70 H LYS 70 2.413 10.321 -1.524 178 HA LYS 70 HA LYS 70 1.292 10.638 -4.090 179 1HB LYS 70 1HB LYS 70 4.106 10.431 -3.020 180 2HB LYS 70 2HB LYS 70 3.792 10.536 -4.740 181 1HG LYS 70 1HG LYS 70 2.526 12.652 -4.401 182 2HG LYS 70 2HG LYS 70 2.773 12.539 -2.670 183 1HD LYS 70 1HD LYS 70 4.845 13.457 -2.826 184 2HD LYS 70 2HD LYS 70 5.335 12.291 -4.038 185 1HE LYS 70 1HE LYS 70 3.639 14.752 -4.666 186 2HE LYS 70 2HE LYS 70 5.385 14.720 -4.813 187 1HZ LYS 70 1HZ LYS 70 3.500 13.772 -6.613 188 2HZ LYS 70 2HZ LYS 70 5.125 13.795 -6.775 189 3HZ LYS 70 3HZ LYS 70 4.388 12.494 -6.118 190 H ALA 71 H ALA 71 3.306 8.007 -2.603 191 HA ALA 71 HA ALA 71 3.341 6.348 -4.805 192 1HB ALA 71 1HB ALA 71 4.703 6.130 -2.718 193 2HB ALA 71 2HB ALA 71 3.248 5.561 -1.865 194 3HB ALA 71 3HB ALA 71 3.926 4.604 -3.204 195 H VAL 72 H VAL 72 0.879 6.751 -2.206 196 HA VAL 72 HA VAL 72 -0.679 4.546 -2.908 197 HB VAL 72 HB VAL 72 -1.219 7.153 -1.500 198 1HG1 VAL 72 1HG1 VAL 72 -3.370 5.958 -0.725 199 2HG1 VAL 72 2HG1 VAL 72 -3.359 6.689 -2.348 200 3HG1 VAL 72 3HG1 VAL 72 -3.155 4.930 -2.163 201 1HG2 VAL 72 1HG2 VAL 72 -0.927 4.277 -0.573 202 2HG2 VAL 72 2HG2 VAL 72 0.197 5.626 -0.282 203 3HG2 VAL 72 3HG2 VAL 72 -1.413 5.630 0.476 204 H ARG 73 H ARG 73 -1.437 8.044 -3.561 205 HA ARG 73 HA ARG 73 -3.475 7.609 -5.241 206 1HB ARG 73 1HB ARG 73 -2.339 9.831 -4.347 207 2HB ARG 73 2HB ARG 73 -1.458 9.797 -5.862 208 1HG ARG 73 1HG ARG 73 -3.752 9.556 -7.033 209 2HG ARG 73 2HG ARG 73 -4.480 9.934 -5.485 210 1HD ARG 73 1HD ARG 73 -4.330 12.051 -6.551 211 2HD ARG 73 2HD ARG 73 -2.950 12.046 -5.470 212 HE ARG 73 HE ARG 73 -2.043 10.941 -7.908 213 1HH1 ARG 73 2HH2 ARG 73 -3.236 14.018 -6.690 214 2HH1 ARG 73 1HH2 ARG 73 -2.477 14.952 -7.935 215 1HH2 ARG 73 2HH1 ARG 73 -1.037 12.173 -9.552 216 2HH2 ARG 73 1HH1 ARG 73 -1.189 13.898 -9.554 217 H GLY 74 H GLY 74 0.019 7.322 -5.886 218 1HA GLY 74 1HA GLY 74 -0.177 7.352 -8.736 219 2HA GLY 74 2HA GLY 74 1.200 6.877 -7.761 220 H ALA 75 H ALA 75 -0.330 4.865 -6.157 221 HA ALA 75 HA ALA 75 0.008 2.731 -8.074 222 1HB ALA 75 1HB ALA 75 0.995 2.702 -5.766 223 2HB ALA 75 2HB ALA 75 -0.656 2.641 -5.104 224 3HB ALA 75 3HB ALA 75 -0.051 1.302 -6.108 225 H THR 76 H THR 76 -2.555 4.623 -6.615 226 HA THR 76 HA THR 76 -4.517 2.649 -7.582 227 HB THR 76 HB THR 76 -5.974 3.516 -5.756 228 HG1 THR 76 1HG THR 76 -4.751 5.065 -4.290 229 1HG2 THR 76 1HG2 THR 76 -4.206 1.723 -5.187 230 2HG2 THR 76 2HG2 THR 76 -3.187 3.052 -4.589 231 3HG2 THR 76 3HG2 THR 76 -4.754 2.715 -3.816 232 H GLY 77 H GLY 77 -4.664 6.143 -6.658 233 1HA GLY 77 1HA GLY 77 -4.791 7.788 -8.455 234 2HA GLY 77 2HA GLY 77 -5.766 6.646 -9.359 235 H LEU 78 H LEU 78 -6.284 6.654 -5.897 236 HA LEU 78 HA LEU 78 -8.970 7.485 -6.232 237 1HB LEU 78 1HB LEU 78 -7.260 6.966 -3.799 238 2HB LEU 78 2HB LEU 78 -8.962 7.381 -3.717 239 HG LEU 78 HG LEU 78 -7.900 4.971 -5.214 240 1HD1 LEU 78 1HD1 LEU 78 -9.035 5.089 -2.406 241 2HD1 LEU 78 2HD1 LEU 78 -8.597 3.616 -3.306 242 3HD1 LEU 78 3HD1 LEU 78 -7.335 4.783 -2.839 243 1HD2 LEU 78 1HD2 LEU 78 -10.665 5.934 -4.485 244 2HD2 LEU 78 2HD2 LEU 78 -10.014 5.500 -6.083 245 3HD2 LEU 78 3HD2 LEU 78 -10.325 4.230 -4.874 246 H GLY 79 H GLY 79 -10.007 9.379 -5.280 247 1HA GLY 79 1HA GLY 79 -8.840 11.789 -5.935 248 2HA GLY 79 2HA GLY 79 -10.183 11.573 -4.829 249 H LEU 80 H LEU 80 -7.733 13.416 -4.798 250 HA LEU 80 HA LEU 80 -5.803 12.769 -3.057 251 1HB LEU 80 1HB LEU 80 -6.512 15.002 -4.272 252 2HB LEU 80 2HB LEU 80 -7.180 15.395 -2.700 253 HG LEU 80 HG LEU 80 -5.035 16.358 -2.746 254 1HD1 LEU 80 1HD1 LEU 80 -4.564 13.755 -1.280 255 2HD1 LEU 80 2HD1 LEU 80 -3.912 15.370 -0.907 256 3HD1 LEU 80 3HD1 LEU 80 -5.646 15.035 -0.682 257 1HD2 LEU 80 1HD2 LEU 80 -2.974 15.099 -3.312 258 2HD2 LEU 80 2HD2 LEU 80 -3.987 13.714 -3.790 259 3HD2 LEU 80 3HD2 LEU 80 -4.106 15.253 -4.677 260 H LYS 81 H LYS 81 -9.176 13.750 -2.199 261 HA LYS 81 HA LYS 81 -8.789 13.714 0.557 262 1HB LYS 81 1HB LYS 81 -10.692 14.818 -0.332 263 2HB LYS 81 2HB LYS 81 -11.223 13.392 -1.203 264 1HG LYS 81 1HG LYS 81 -11.772 12.230 0.872 265 2HG LYS 81 2HG LYS 81 -11.008 13.475 1.839 266 1HD LYS 81 1HD LYS 81 -12.727 15.059 1.399 267 2HD LYS 81 2HD LYS 81 -13.279 14.211 -0.032 268 1HE LYS 81 1HE LYS 81 -14.877 13.857 1.809 269 2HE LYS 81 2HE LYS 81 -14.115 12.335 1.392 270 1HZ LYS 81 1HZ LYS 81 -12.646 12.585 3.234 271 2HZ LYS 81 2HZ LYS 81 -13.218 14.073 3.584 272 3HZ LYS 81 3HZ LYS 81 -14.176 12.765 3.774 273 H GLU 82 H GLU 82 -10.432 11.184 -1.478 274 HA GLU 82 HA GLU 82 -10.783 9.337 0.393 275 1HB GLU 82 1HB GLU 82 -9.985 9.043 -2.520 276 2HB GLU 82 2HB GLU 82 -10.316 7.630 -1.538 277 1HG GLU 82 1HG GLU 82 -12.261 9.964 -1.854 278 2HG GLU 82 2HG GLU 82 -12.321 8.510 -2.831 279 H ALA 83 H ALA 83 -7.711 9.919 -1.425 280 HA ALA 83 HA ALA 83 -6.334 7.729 -0.368 281 1HB ALA 83 1HB ALA 83 -5.550 8.810 -2.360 282 2HB ALA 83 2HB ALA 83 -5.458 10.390 -1.546 283 3HB ALA 83 3HB ALA 83 -4.317 9.095 -1.108 284 H LYS 84 H LYS 84 -6.568 11.192 0.661 285 HA LYS 84 HA LYS 84 -4.754 11.027 2.750 286 1HB LYS 84 1HB LYS 84 -5.711 13.104 1.737 287 2HB LYS 84 2HB LYS 84 -7.218 12.784 2.569 288 1HG LYS 84 1HG LYS 84 -6.123 14.227 4.073 289 2HG LYS 84 2HG LYS 84 -5.751 12.649 4.743 290 1HD LYS 84 1HD LYS 84 -3.530 12.655 3.772 291 2HD LYS 84 2HD LYS 84 -3.897 14.037 2.762 292 1HE LYS 84 1HE LYS 84 -4.384 15.248 5.084 293 2HE LYS 84 2HE LYS 84 -3.404 13.956 5.749 294 1HZ LYS 84 1HZ LYS 84 -1.755 14.593 3.975 295 2HZ LYS 84 2HZ LYS 84 -2.620 15.962 3.772 296 3HZ LYS 84 3HZ LYS 84 -1.930 15.638 5.216 297 H ASP 85 H ASP 85 -8.367 10.639 2.796 298 HA ASP 85 HA ASP 85 -8.599 10.188 5.460 299 1HB ASP 85 1HB ASP 85 -10.154 8.889 3.174 300 2HB ASP 85 2HB ASP 85 -10.686 8.896 4.844 301 H LEU 86 H LEU 86 -7.927 7.889 2.742 302 HA LEU 86 HA LEU 86 -8.162 5.524 4.145 303 1HB LEU 86 1HB LEU 86 -8.043 5.738 1.710 304 2HB LEU 86 2HB LEU 86 -6.356 6.205 1.820 305 HG LEU 86 HG LEU 86 -6.023 3.909 2.998 306 1HD1 LEU 86 1HD1 LEU 86 -8.663 3.417 1.591 307 2HD1 LEU 86 2HD1 LEU 86 -7.604 2.166 2.286 308 3HD1 LEU 86 3HD1 LEU 86 -8.370 3.373 3.345 309 1HD2 LEU 86 1HD2 LEU 86 -5.030 4.391 0.874 310 2HD2 LEU 86 2HD2 LEU 86 -5.792 2.786 0.776 311 3HD2 LEU 86 3HD2 LEU 86 -6.588 4.197 0.037 312 H VAL 87 H VAL 87 -5.211 7.555 3.557 313 HA VAL 87 HA VAL 87 -3.469 5.897 4.942 314 HB VAL 87 HB VAL 87 -3.476 8.845 4.311 315 1HG1 VAL 87 1HG1 VAL 87 -2.077 8.766 6.207 316 2HG1 VAL 87 2HG1 VAL 87 -1.374 7.201 5.735 317 3HG1 VAL 87 3HG1 VAL 87 -0.966 8.670 4.820 318 1HG2 VAL 87 1HG2 VAL 87 -1.625 6.768 3.163 319 2HG2 VAL 87 2HG2 VAL 87 -3.282 6.939 2.538 320 3HG2 VAL 87 3HG2 VAL 87 -2.159 8.318 2.470 321 H GLU 88 H GLU 88 -5.613 8.571 6.036 322 HA GLU 88 HA GLU 88 -4.481 8.533 8.639 323 1HB GLU 88 1HB GLU 88 -6.805 9.962 7.325 324 2HB GLU 88 2HB GLU 88 -6.615 10.026 9.066 325 1HG GLU 88 1HG GLU 88 -4.251 10.861 8.742 326 2HG GLU 88 2HG GLU 88 -4.520 10.872 7.010 327 H SER 89 H SER 89 -6.560 6.448 6.986 328 HA SER 89 HA SER 89 -8.042 5.823 9.409 329 1HB SER 89 1HB SER 89 -8.532 5.115 6.487 330 2HB SER 89 2HB SER 89 -9.462 4.423 7.802 331 HG SER 89 HG SER 89 -9.233 7.247 7.190 332 H ALA 90 H ALA 90 -5.126 5.137 8.537 333 HA ALA 90 HA ALA 90 -5.022 2.407 7.932 334 1HB ALA 90 1HB ALA 90 -3.078 4.320 9.277 335 2HB ALA 90 2HB ALA 90 -2.658 2.655 8.813 336 3HB ALA 90 3HB ALA 90 -3.118 3.837 7.565 337 HA PRO 91 HA PRO 91 -3.702 0.881 8.437 338 1HB PRO 91 1HB PRO 91 -4.214 -1.786 8.743 339 2HB PRO 91 2HB PRO 91 -2.820 -0.991 9.447 340 1HG PRO 91 1HG PRO 91 -5.296 -1.906 10.775 341 2HG PRO 91 2HG PRO 91 -3.748 -1.510 11.493 342 1HD PRO 91 1HD PRO 91 -6.112 0.115 11.506 343 2HD PRO 91 2HD PRO 91 -4.532 0.558 12.121 344 H ALA 92 H ALA 92 -4.225 0.038 6.340 345 HA ALA 92 HA ALA 92 -6.985 -0.645 5.940 346 1HB ALA 92 1HB ALA 92 -5.917 1.894 4.652 347 2HB ALA 92 2HB ALA 92 -7.572 1.244 4.574 348 3HB ALA 92 3HB ALA 92 -6.941 1.890 6.108 349 H ALA 93 H ALA 93 -7.307 -1.657 3.898 350 HA ALA 93 HA ALA 93 -4.913 -2.688 2.743 351 1HB ALA 93 1HB ALA 93 -6.568 -3.840 1.231 352 2HB ALA 93 2HB ALA 93 -6.868 -4.099 2.966 353 3HB ALA 93 3HB ALA 93 -7.866 -2.943 2.052 354 H LEU 94 H LEU 94 -3.886 -2.105 0.848 355 HA LEU 94 HA LEU 94 -4.946 0.292 -0.450 356 1HB LEU 94 1HB LEU 94 -2.258 -0.809 0.084 357 2HB LEU 94 2HB LEU 94 -2.468 -0.073 -1.494 358 HG LEU 94 HG LEU 94 -3.183 1.340 1.085 359 1HD1 LEU 94 1HD1 LEU 94 -0.602 1.640 -0.466 360 2HD1 LEU 94 2HD1 LEU 94 -1.058 2.436 1.060 361 3HD1 LEU 94 3HD1 LEU 94 -0.773 0.679 1.023 362 1HD2 LEU 94 1HD2 LEU 94 -3.109 3.360 -0.265 363 2HD2 LEU 94 2HD2 LEU 94 -2.664 2.410 -1.703 364 3HD2 LEU 94 3HD2 LEU 94 -4.263 2.192 -0.954 365 H LYS 95 H LYS 95 -3.952 -3.109 -0.983 366 HA LYS 95 HA LYS 95 -5.462 -3.060 -3.458 367 1HB LYS 95 1HB LYS 95 -2.791 -4.349 -3.679 368 2HB LYS 95 2HB LYS 95 -3.769 -3.563 -4.901 369 1HG LYS 95 1HG LYS 95 -3.229 -1.333 -3.893 370 2HG LYS 95 2HG LYS 95 -2.244 -2.124 -2.679 371 1HD LYS 95 1HD LYS 95 -0.659 -1.477 -4.313 372 2HD LYS 95 2HD LYS 95 -0.931 -3.170 -4.672 373 1HE LYS 95 1HE LYS 95 -0.994 -1.876 -6.761 374 2HE LYS 95 2HE LYS 95 -2.587 -2.533 -6.439 375 1HZ LYS 95 1HZ LYS 95 -3.404 -0.500 -5.972 376 2HZ LYS 95 2HZ LYS 95 -2.005 0.093 -5.376 377 3HZ LYS 95 3HZ LYS 95 -2.219 -0.026 -6.990 378 H GLU 96 H GLU 96 -6.199 -5.173 -4.096 379 HA GLU 96 HA GLU 96 -5.728 -7.180 -2.035 380 1HB GLU 96 1HB GLU 96 -8.397 -6.451 -3.319 381 2HB GLU 96 2HB GLU 96 -8.150 -7.849 -2.291 382 1HG GLU 96 1HG GLU 96 -7.342 -6.286 -0.457 383 2HG GLU 96 2HG GLU 96 -7.760 -4.929 -1.484 384 H GLY 97 H GLY 97 -5.099 -9.151 -2.833 385 1HA GLY 97 1HA GLY 97 -4.504 -10.712 -4.343 386 2HA GLY 97 2HA GLY 97 -6.101 -10.465 -5.019 387 H VAL 98 H VAL 98 -2.812 -8.914 -4.982 388 HA VAL 98 HA VAL 98 -3.233 -8.334 -7.834 389 HB VAL 98 HB VAL 98 -1.728 -6.417 -7.507 390 1HG1 VAL 98 1HG1 VAL 98 -4.311 -6.375 -7.244 391 2HG1 VAL 98 2HG1 VAL 98 -3.973 -6.135 -5.513 392 3HG1 VAL 98 3HG1 VAL 98 -3.370 -4.962 -6.707 393 1HG2 VAL 98 1HG2 VAL 98 -1.041 -5.659 -5.343 394 2HG2 VAL 98 2HG2 VAL 98 -2.005 -6.914 -4.527 395 3HG2 VAL 98 3HG2 VAL 98 -0.571 -7.370 -5.479 396 H SER 99 H SER 99 -1.088 -8.220 -9.071 397 HA SER 99 HA SER 99 0.156 -10.659 -8.811 398 1HB SER 99 1HB SER 99 1.741 -9.803 -10.515 399 2HB SER 99 2HB SER 99 0.085 -9.400 -10.921 400 HG SER 99 HG SER 99 0.431 -7.266 -10.486 401 H LYS 100 H LYS 100 2.154 -11.330 -7.903 402 HA LYS 100 HA LYS 100 2.978 -10.102 -5.589 403 1HB LYS 100 1HB LYS 100 3.408 -12.434 -6.054 404 2HB LYS 100 2HB LYS 100 4.427 -12.031 -7.420 405 1HG LYS 100 1HG LYS 100 5.825 -12.556 -5.460 406 2HG LYS 100 2HG LYS 100 6.033 -10.875 -5.909 407 1HD LYS 100 1HD LYS 100 4.687 -10.095 -4.087 408 2HD LYS 100 2HD LYS 100 3.970 -11.671 -3.824 409 1HE LYS 100 1HE LYS 100 5.573 -11.436 -2.068 410 2HE LYS 100 2HE LYS 100 6.336 -12.512 -3.223 411 1HZ LYS 100 1HZ LYS 100 7.494 -10.605 -4.133 412 2HZ LYS 100 2HZ LYS 100 6.796 -9.615 -3.036 413 3HZ LYS 100 3HZ LYS 100 7.827 -10.783 -2.544 414 H ASP 101 H ASP 101 4.233 -9.765 -8.952 415 HA ASP 101 HA ASP 101 6.518 -8.418 -8.360 416 1HB ASP 101 1HB ASP 101 4.603 -8.057 -10.711 417 2HB ASP 101 2HB ASP 101 6.219 -7.381 -10.675 418 H ASP 102 H ASP 102 3.125 -7.248 -8.783 419 HA ASP 102 HA ASP 102 3.786 -4.536 -8.750 420 1HB ASP 102 1HB ASP 102 1.252 -6.137 -8.296 421 2HB ASP 102 2HB ASP 102 1.240 -4.407 -8.013 422 H ALA 103 H ALA 103 2.965 -7.010 -6.285 423 HA ALA 103 HA ALA 103 2.432 -5.256 -4.162 424 1HB ALA 103 1HB ALA 103 2.604 -7.245 -2.795 425 2HB ALA 103 2HB ALA 103 1.830 -7.700 -4.332 426 3HB ALA 103 3HB ALA 103 3.545 -8.087 -4.050 427 H GLU 104 H GLU 104 5.439 -6.959 -5.252 428 HA GLU 104 HA GLU 104 6.951 -5.970 -3.113 429 1HB GLU 104 1HB GLU 104 7.373 -8.008 -4.701 430 2HB GLU 104 2HB GLU 104 8.114 -6.839 -5.777 431 1HG GLU 104 1HG GLU 104 9.541 -6.090 -3.746 432 2HG GLU 104 2HG GLU 104 8.950 -7.523 -2.927 433 H ALA 105 H ALA 105 6.102 -4.751 -6.341 434 HA ALA 105 HA ALA 105 8.159 -2.843 -6.549 435 1HB ALA 105 1HB ALA 105 6.901 -3.587 -8.485 436 2HB ALA 105 2HB ALA 105 5.373 -3.031 -7.761 437 3HB ALA 105 3HB ALA 105 6.604 -1.847 -8.259 438 H LEU 106 H LEU 106 4.743 -2.681 -5.339 439 HA LEU 106 HA LEU 106 4.877 0.066 -4.749 440 1HB LEU 106 1HB LEU 106 2.812 -1.205 -5.163 441 2HB LEU 106 2HB LEU 106 3.050 -2.083 -3.666 442 HG LEU 106 HG LEU 106 1.380 -0.153 -3.662 443 1HD1 LEU 106 1HD1 LEU 106 1.840 0.406 -1.381 444 2HD1 LEU 106 2HD1 LEU 106 2.317 -1.290 -1.641 445 3HD1 LEU 106 3HD1 LEU 106 3.558 -0.017 -1.564 446 1HD2 LEU 106 1HD2 LEU 106 2.156 2.083 -3.451 447 2HD2 LEU 106 2HD2 LEU 106 3.858 1.564 -3.417 448 3HD2 LEU 106 3HD2 LEU 106 2.909 1.405 -4.914 449 H LYS 107 H LYS 107 5.204 -2.907 -2.695 450 HA LYS 107 HA LYS 107 5.574 -1.690 -0.283 451 1HB LYS 107 1HB LYS 107 5.373 -4.152 -0.792 452 2HB LYS 107 2HB LYS 107 7.064 -4.145 -1.250 453 1HG LYS 107 1HG LYS 107 6.439 -2.887 1.392 454 2HG LYS 107 2HG LYS 107 6.180 -4.617 1.300 455 1HD LYS 107 1HD LYS 107 8.767 -3.375 0.295 456 2HD LYS 107 2HD LYS 107 8.550 -3.748 1.994 457 1HE LYS 107 1HE LYS 107 9.120 -5.901 1.566 458 2HE LYS 107 2HE LYS 107 7.674 -6.069 0.592 459 1HZ LYS 107 1HZ LYS 107 10.380 -5.466 -0.263 460 2HZ LYS 107 2HZ LYS 107 9.294 -6.499 -0.913 461 3HZ LYS 107 3HZ LYS 107 9.143 -4.892 -1.161 462 H LYS 108 H LYS 108 8.061 -2.380 -2.825 463 HA LYS 108 HA LYS 108 10.248 -1.476 -1.414 464 1HB LYS 108 1HB LYS 108 9.563 -1.779 -4.314 465 2HB LYS 108 2HB LYS 108 11.020 -0.905 -3.890 466 1HG LYS 108 1HG LYS 108 11.782 -2.844 -2.503 467 2HG LYS 108 2HG LYS 108 10.322 -3.718 -2.921 468 1HD LYS 108 1HD LYS 108 10.962 -3.563 -5.357 469 2HD LYS 108 2HD LYS 108 12.450 -2.762 -4.895 470 1HE LYS 108 1HE LYS 108 11.985 -5.287 -3.411 471 2HE LYS 108 2HE LYS 108 12.104 -5.521 -5.144 472 1HZ LYS 108 1HZ LYS 108 14.061 -3.943 -3.633 473 2HZ LYS 108 2HZ LYS 108 14.236 -5.544 -3.902 474 3HZ LYS 108 3HZ LYS 108 14.202 -4.504 -5.160 475 H ALA 109 H ALA 109 7.746 0.323 -3.248 476 HA ALA 109 HA ALA 109 9.124 2.774 -3.257 477 1HB ALA 109 1HB ALA 109 7.109 3.648 -4.130 478 2HB ALA 109 2HB ALA 109 7.115 1.952 -4.668 479 3HB ALA 109 3HB ALA 109 6.113 2.442 -3.282 480 H LEU 110 H LEU 110 6.784 1.228 -0.994 481 HA LEU 110 HA LEU 110 6.470 3.458 0.665 482 1HB LEU 110 1HB LEU 110 6.027 0.514 0.914 483 2HB LEU 110 2HB LEU 110 5.945 1.510 2.354 484 HG LEU 110 HG LEU 110 3.789 0.961 0.977 485 1HD1 LEU 110 1HD1 LEU 110 3.729 2.314 2.950 486 2HD1 LEU 110 2HD1 LEU 110 4.443 3.700 2.090 487 3HD1 LEU 110 3HD1 LEU 110 2.802 3.148 1.679 488 1HD2 LEU 110 1HD2 LEU 110 3.204 2.518 -0.746 489 2HD2 LEU 110 2HD2 LEU 110 4.713 3.432 -0.511 490 3HD2 LEU 110 3HD2 LEU 110 4.767 1.780 -1.174 491 H GLU 111 H GLU 111 8.834 0.737 0.644 492 HA GLU 111 HA GLU 111 9.967 1.424 3.093 493 1HB GLU 111 1HB GLU 111 11.027 -0.170 0.724 494 2HB GLU 111 2HB GLU 111 11.906 -0.020 2.234 495 1HG GLU 111 1HG GLU 111 9.012 -0.956 2.201 496 2HG GLU 111 2HG GLU 111 10.322 -2.082 1.908 497 H GLU 112 H GLU 112 10.657 2.377 -0.300 498 HA GLU 112 HA GLU 112 13.069 3.606 0.124 499 1HB GLU 112 1HB GLU 112 10.818 4.066 -1.851 500 2HB GLU 112 2HB GLU 112 12.233 5.098 -1.877 501 1HG GLU 112 1HG GLU 112 12.623 2.098 -1.818 502 2HG GLU 112 2HG GLU 112 12.148 2.856 -3.326 503 H ALA 113 H ALA 113 9.729 4.726 0.753 504 HA ALA 113 HA ALA 113 10.600 7.414 1.307 505 1HB ALA 113 1HB ALA 113 8.444 7.108 0.274 506 2HB ALA 113 2HB ALA 113 7.946 5.944 1.526 507 3HB ALA 113 3HB ALA 113 8.159 7.662 1.942 508 H GLY 114 H GLY 114 9.863 4.386 3.044 509 1HA GLY 114 1HA GLY 114 10.900 3.959 5.123 510 2HA GLY 114 2HA GLY 114 10.846 5.667 5.507 511 H ALA 115 H ALA 115 8.479 3.088 4.489 512 HA ALA 115 HA ALA 115 6.779 3.987 6.711 513 1HB ALA 115 1HB ALA 115 5.820 3.150 3.946 514 2HB ALA 115 2HB ALA 115 4.835 3.790 5.284 515 3HB ALA 115 3HB ALA 115 6.013 4.843 4.464 516 H GLU 116 H GLU 116 5.003 2.204 7.116 517 HA GLU 116 HA GLU 116 6.444 -0.326 7.049 518 1HB GLU 116 1HB GLU 116 5.877 0.719 9.299 519 2HB GLU 116 2HB GLU 116 4.182 0.488 8.922 520 1HG GLU 116 1HG GLU 116 4.649 -1.990 8.602 521 2HG GLU 116 2HG GLU 116 6.293 -1.709 9.138 522 H VAL 117 H VAL 117 5.657 -1.921 5.742 523 HA VAL 117 HA VAL 117 2.877 -1.610 4.839 524 HB VAL 117 HB VAL 117 5.291 -2.754 3.422 525 1HG1 VAL 117 1HG1 VAL 117 3.375 -4.038 2.761 526 2HG1 VAL 117 2HG1 VAL 117 2.386 -2.571 2.570 527 3HG1 VAL 117 3HG1 VAL 117 3.733 -2.887 1.451 528 1HG2 VAL 117 1HG2 VAL 117 4.865 -0.852 1.833 529 2HG2 VAL 117 2HG2 VAL 117 3.696 -0.206 3.010 530 3HG2 VAL 117 3HG2 VAL 117 5.415 -0.357 3.451 531 H GLU 118 H GLU 118 1.782 -3.718 4.275 532 HA GLU 118 HA GLU 118 2.928 -5.940 5.752 533 1HB GLU 118 1HB GLU 118 1.318 -4.989 7.298 534 2HB GLU 118 2HB GLU 118 0.098 -4.855 6.046 535 1HG GLU 118 1HG GLU 118 -0.172 -7.249 5.904 536 2HG GLU 118 2HG GLU 118 1.293 -7.548 6.818 537 H VAL 119 H VAL 119 2.771 -7.893 4.668 538 HA VAL 119 HA VAL 119 1.229 -7.806 2.170 539 HB VAL 119 HB VAL 119 3.693 -9.382 2.942 540 1HG1 VAL 119 1HG1 VAL 119 3.713 -10.090 0.555 541 2HG1 VAL 119 2HG1 VAL 119 2.318 -10.719 1.463 542 3HG1 VAL 119 3HG1 VAL 119 2.110 -9.344 0.352 543 1HG2 VAL 119 1HG2 VAL 119 4.074 -6.962 2.529 544 2HG2 VAL 119 2HG2 VAL 119 4.867 -8.005 1.324 545 3HG2 VAL 119 3HG2 VAL 119 3.363 -7.150 0.909 546 H LYS 120 H LYS 120 -0.526 -9.105 2.015 547 HA LYS 120 HA LYS 120 -0.632 -11.388 3.860 548 1HB LYS 120 1HB LYS 120 -2.303 -9.122 3.853 549 2HB LYS 120 2HB LYS 120 -3.252 -10.396 3.115 550 1HG LYS 120 1HG LYS 120 -3.694 -10.796 5.373 551 2HG LYS 120 2HG LYS 120 -2.335 -11.874 5.122 552 1HD LYS 120 1HD LYS 120 -0.775 -10.148 6.002 553 2HD LYS 120 2HD LYS 120 -2.104 -9.023 6.199 554 1HE LYS 120 1HE LYS 120 -3.197 -10.631 7.802 555 2HE LYS 120 2HE LYS 120 -1.827 -11.710 7.631 556 1HZ LYS 120 1HZ LYS 120 -1.756 -8.968 8.683 557 2HZ LYS 120 2HZ LYS 120 -1.526 -10.347 9.530 558 3HZ LYS 120 3HZ LYS 120 -0.425 -9.879 8.418 Start of MODEL 8 1 1H ALA 47 H ALA 47 -7.053 -28.532 -2.625 2 HA ALA 47 HA ALA 47 -5.867 -28.820 -4.968 3 1HB ALA 47 1HB ALA 47 -6.027 -26.294 -5.105 4 2HB ALA 47 2HB ALA 47 -7.500 -27.108 -4.529 5 3HB ALA 47 3HB ALA 47 -6.423 -26.294 -3.370 6 H ALA 48 H ALA 48 -4.022 -27.612 -6.029 7 HA ALA 48 HA ALA 48 -1.846 -26.932 -4.245 8 1HB ALA 48 1HB ALA 48 -1.558 -29.339 -4.428 9 2HB ALA 48 2HB ALA 48 -1.729 -29.265 -6.198 10 3HB ALA 48 3HB ALA 48 -0.309 -28.538 -5.410 11 H GLU 49 H GLU 49 -2.829 -24.920 -5.399 12 HA GLU 49 HA GLU 49 -1.711 -24.737 -8.078 13 1HB GLU 49 1HB GLU 49 -3.912 -23.233 -6.638 14 2HB GLU 49 2HB GLU 49 -3.141 -22.532 -8.047 15 1HG GLU 49 1HG GLU 49 -4.909 -23.697 -9.046 16 2HG GLU 49 2HG GLU 49 -3.622 -24.880 -9.168 17 H GLU 50 H GLU 50 -0.887 -22.366 -8.598 18 HA GLU 50 HA GLU 50 1.083 -21.837 -6.581 19 1HB GLU 50 1HB GLU 50 0.704 -21.192 -9.476 20 2HB GLU 50 2HB GLU 50 1.614 -20.018 -8.545 21 1HG GLU 50 1HG GLU 50 3.179 -21.770 -7.780 22 2HG GLU 50 2HG GLU 50 2.227 -23.010 -8.571 23 H LYS 51 H LYS 51 0.773 -20.348 -4.988 24 HA LYS 51 HA LYS 51 -1.278 -18.314 -5.451 25 1HB LYS 51 1HB LYS 51 -1.599 -19.803 -3.521 26 2HB LYS 51 2HB LYS 51 -0.042 -19.327 -2.873 27 1HG LYS 51 1HG LYS 51 -0.812 -17.282 -2.146 28 2HG LYS 51 2HG LYS 51 -1.826 -17.042 -3.555 29 1HD LYS 51 1HD LYS 51 -3.343 -17.307 -1.717 30 2HD LYS 51 2HD LYS 51 -3.409 -18.821 -2.599 31 1HE LYS 51 1HE LYS 51 -1.605 -19.700 -0.968 32 2HE LYS 51 2HE LYS 51 -1.891 -18.257 -0.015 33 1HZ LYS 51 1HZ LYS 51 -3.786 -20.400 -0.627 34 2HZ LYS 51 2HZ LYS 51 -3.306 -19.860 0.837 35 3HZ LYS 51 3HZ LYS 51 -4.295 -18.945 -0.087 36 H THR 52 H THR 52 -0.262 -16.674 -6.574 37 HA THR 52 HA THR 52 2.144 -15.572 -5.273 38 HB THR 52 HB THR 52 2.656 -14.734 -7.626 39 HG1 THR 52 1HG THR 52 0.700 -16.720 -8.418 40 1HG2 THR 52 1HG2 THR 52 3.712 -16.874 -6.953 41 2HG2 THR 52 2HG2 THR 52 2.208 -17.751 -7.328 42 3HG2 THR 52 3HG2 THR 52 3.148 -16.995 -8.637 43 H GLU 53 H GLU 53 -1.175 -15.164 -5.753 44 HA GLU 53 HA GLU 53 -1.026 -12.324 -6.085 45 1HB GLU 53 1HB GLU 53 -3.358 -14.240 -5.668 46 2HB GLU 53 2HB GLU 53 -3.562 -12.510 -5.854 47 1HG GLU 53 1HG GLU 53 -2.344 -12.649 -8.070 48 2HG GLU 53 2HG GLU 53 -2.277 -14.390 -7.889 49 H PHE 54 H PHE 54 -0.465 -11.062 -4.363 50 HA PHE 54 HA PHE 54 -1.513 -11.886 -1.747 51 1HB PHE 54 1HB PHE 54 0.856 -10.039 -2.351 52 2HB PHE 54 2HB PHE 54 0.522 -10.861 -0.841 53 HD1 PHE 54 1HD PHE 54 -0.028 -13.616 -1.843 54 HD2 PHE 54 2HD PHE 54 2.979 -10.824 -2.924 55 HE1 PHE 54 1HE PHE 54 1.475 -15.503 -2.535 56 HE2 PHE 54 2HE PHE 54 4.482 -12.710 -3.617 57 HZ PHE 54 HZ PHE 54 3.713 -15.028 -3.414 58 H ASP 55 H ASP 55 -1.899 -10.005 -0.210 59 HA ASP 55 HA ASP 55 -3.089 -7.851 -1.748 60 1HB ASP 55 1HB ASP 55 -3.450 -8.387 1.226 61 2HB ASP 55 2HB ASP 55 -4.490 -7.443 0.179 62 H VAL 56 H VAL 56 -2.518 -5.635 -1.262 63 HA VAL 56 HA VAL 56 -0.104 -5.391 0.387 64 HB VAL 56 HB VAL 56 -1.131 -3.796 -1.963 65 1HG1 VAL 56 1HG1 VAL 56 1.270 -3.297 -0.176 66 2HG1 VAL 56 2HG1 VAL 56 1.017 -2.521 -1.758 67 3HG1 VAL 56 3HG1 VAL 56 -0.131 -2.230 -0.430 68 1HG2 VAL 56 1HG2 VAL 56 1.403 -5.438 -1.653 69 2HG2 VAL 56 2HG2 VAL 56 -0.074 -5.990 -2.476 70 3HG2 VAL 56 3HG2 VAL 56 0.839 -4.605 -3.121 71 H ILE 57 H ILE 57 -0.545 -4.656 2.400 72 HA ILE 57 HA ILE 57 -2.742 -2.723 2.642 73 HB ILE 57 HB ILE 57 -1.602 -4.741 4.567 74 1HG1 ILE 57 1HG1 ILE 57 -4.467 -4.372 3.676 75 2HG1 ILE 57 2HG1 ILE 57 -3.337 -5.373 2.788 76 1HG2 ILE 57 1HG2 ILE 57 -3.218 -3.854 6.225 77 2HG2 ILE 57 2HG2 ILE 57 -1.913 -2.710 5.829 78 3HG2 ILE 57 3HG2 ILE 57 -3.538 -2.481 5.137 79 1HD1 ILE 57 1HD1 ILE 57 -4.309 -5.734 5.643 80 2HD1 ILE 57 2HD1 ILE 57 -4.424 -6.876 4.283 81 3HD1 ILE 57 3HD1 ILE 57 -2.848 -6.555 5.046 82 H LEU 58 H LEU 58 -2.412 -0.794 3.851 83 HA LEU 58 HA LEU 58 0.424 -0.167 4.255 84 1HB LEU 58 1HB LEU 58 -0.742 1.232 2.642 85 2HB LEU 58 2HB LEU 58 -1.966 1.632 3.831 86 HG LEU 58 HG LEU 58 -0.142 3.359 3.357 87 1HD1 LEU 58 1HD1 LEU 58 -1.758 3.245 5.345 88 2HD1 LEU 58 2HD1 LEU 58 -0.363 2.655 6.280 89 3HD1 LEU 58 3HD1 LEU 58 -0.303 4.259 5.511 90 1HD2 LEU 58 1HD2 LEU 58 1.702 1.604 3.486 91 2HD2 LEU 58 2HD2 LEU 58 1.992 3.146 4.324 92 3HD2 LEU 58 3HD2 LEU 58 1.522 1.703 5.254 93 H LYS 59 H LYS 59 1.146 -0.298 6.305 94 HA LYS 59 HA LYS 59 -0.839 -0.430 8.412 95 1HB LYS 59 1HB LYS 59 1.949 -1.343 8.004 96 2HB LYS 59 2HB LYS 59 1.568 -0.820 9.632 97 1HG LYS 59 1HG LYS 59 -0.555 -2.307 9.444 98 2HG LYS 59 2HG LYS 59 0.178 -2.987 8.005 99 1HD LYS 59 1HD LYS 59 1.113 -4.465 9.493 100 2HD LYS 59 2HD LYS 59 2.299 -3.193 9.709 101 1HE LYS 59 1HE LYS 59 -0.237 -3.384 11.397 102 2HE LYS 59 2HE LYS 59 1.269 -4.148 11.863 103 1HZ LYS 59 1HZ LYS 59 1.306 -2.082 12.861 104 2HZ LYS 59 2HZ LYS 59 2.259 -1.860 11.553 105 3HZ LYS 59 3HZ LYS 59 0.727 -1.292 11.554 106 H ALA 60 H ALA 60 2.297 1.329 7.840 107 HA ALA 60 HA ALA 60 1.080 3.642 9.150 108 1HB ALA 60 1HB ALA 60 2.902 3.913 10.651 109 2HB ALA 60 2HB ALA 60 2.470 2.189 10.758 110 3HB ALA 60 3HB ALA 60 3.887 2.694 9.804 111 H ALA 61 H ALA 61 1.408 5.474 7.977 112 HA ALA 61 HA ALA 61 2.802 5.348 5.538 113 1HB ALA 61 1HB ALA 61 0.940 6.834 5.759 114 2HB ALA 61 2HB ALA 61 1.636 7.605 7.204 115 3HB ALA 61 3HB ALA 61 2.382 7.868 5.609 116 H GLY 62 H GLY 62 3.737 6.080 8.858 117 1HA GLY 62 1HA GLY 62 5.827 6.313 9.714 118 2HA GLY 62 2HA GLY 62 6.506 6.221 8.100 119 H ALA 63 H ALA 63 7.955 8.007 8.726 120 HA ALA 63 HA ALA 63 6.658 10.548 9.266 121 1HB ALA 63 1HB ALA 63 9.594 9.746 9.139 122 2HB ALA 63 2HB ALA 63 8.957 11.306 9.714 123 3HB ALA 63 3HB ALA 63 8.599 9.812 10.614 124 H ASN 64 H ASN 64 6.102 9.384 6.693 125 HA ASN 64 HA ASN 64 7.157 11.509 5.089 126 1HB ASN 64 1HB ASN 64 8.579 9.176 4.975 127 2HB ASN 64 2HB ASN 64 7.333 8.788 3.804 128 1HD2 ASN 64 1HD2 ASN 64 6.902 11.576 3.040 129 2HD2 ASN 64 2HD2 ASN 64 8.175 11.943 1.924 130 H LYS 65 H LYS 65 4.612 11.538 5.820 131 HA LYS 65 HA LYS 65 2.869 9.749 4.546 132 1HB LYS 65 1HB LYS 65 2.641 11.601 6.519 133 2HB LYS 65 2HB LYS 65 1.897 12.477 5.197 134 1HG LYS 65 1HG LYS 65 0.157 10.926 4.947 135 2HG LYS 65 2HG LYS 65 1.104 9.594 5.578 136 1HD LYS 65 1HD LYS 65 -0.417 10.044 7.335 137 2HD LYS 65 2HD LYS 65 1.042 10.860 7.858 138 1HE LYS 65 1HE LYS 65 0.183 13.021 6.978 139 2HE LYS 65 2HE LYS 65 -1.254 12.222 6.371 140 1HZ LYS 65 1HZ LYS 65 -0.451 12.466 9.186 141 2HZ LYS 65 2HZ LYS 65 -1.735 13.172 8.464 142 3HZ LYS 65 3HZ LYS 65 -1.707 11.553 8.681 143 H VAL 66 H VAL 66 4.654 12.574 3.453 144 HA VAL 66 HA VAL 66 2.928 13.330 1.370 145 HB VAL 66 HB VAL 66 5.875 13.707 1.894 146 1HG1 VAL 66 1HG1 VAL 66 5.685 15.546 0.140 147 2HG1 VAL 66 2HG1 VAL 66 5.721 13.873 -0.468 148 3HG1 VAL 66 3HG1 VAL 66 4.177 14.758 -0.384 149 1HG2 VAL 66 1HG2 VAL 66 3.603 15.712 2.015 150 2HG2 VAL 66 2HG2 VAL 66 4.183 14.786 3.419 151 3HG2 VAL 66 3HG2 VAL 66 5.275 15.920 2.588 152 H ALA 67 H ALA 67 5.729 11.060 1.574 153 HA ALA 67 HA ALA 67 5.716 10.518 -1.208 154 1HB ALA 67 1HB ALA 67 6.933 9.105 1.197 155 2HB ALA 67 2HB ALA 67 7.250 8.652 -0.494 156 3HB ALA 67 3HB ALA 67 7.736 10.257 0.103 157 H VAL 68 H VAL 68 4.297 8.971 1.722 158 HA VAL 68 HA VAL 68 3.426 6.640 0.498 159 HB VAL 68 HB VAL 68 2.339 8.231 2.825 160 1HG1 VAL 68 1HG1 VAL 68 0.552 6.815 2.082 161 2HG1 VAL 68 2HG1 VAL 68 1.651 5.430 1.886 162 3HG1 VAL 68 3HG1 VAL 68 1.285 6.050 3.513 163 1HG2 VAL 68 1HG2 VAL 68 3.629 5.730 3.487 164 2HG2 VAL 68 2HG2 VAL 68 4.715 6.744 2.508 165 3HG2 VAL 68 3HG2 VAL 68 4.024 7.382 4.018 166 H ILE 69 H ILE 69 1.583 9.711 1.146 167 HA ILE 69 HA ILE 69 -0.765 8.942 -0.017 168 HB ILE 69 HB ILE 69 0.588 11.596 0.337 169 1HG1 ILE 69 1HG1 ILE 69 -1.974 10.598 1.581 170 2HG1 ILE 69 2HG1 ILE 69 -0.408 10.161 2.238 171 1HG2 ILE 69 1HG2 ILE 69 -1.584 12.663 -0.290 172 2HG2 ILE 69 2HG2 ILE 69 -0.700 11.932 -1.652 173 3HG2 ILE 69 3HG2 ILE 69 -2.105 11.094 -0.951 174 1HD1 ILE 69 1HD1 ILE 69 0.174 12.618 2.375 175 2HD1 ILE 69 2HD1 ILE 69 -1.485 12.990 1.849 176 3HD1 ILE 69 3HD1 ILE 69 -1.209 12.154 3.395 177 H LYS 70 H LYS 70 2.257 10.101 -1.544 178 HA LYS 70 HA LYS 70 1.155 10.459 -4.108 179 1HB LYS 70 1HB LYS 70 3.938 10.119 -3.009 180 2HB LYS 70 2HB LYS 70 3.666 10.146 -4.740 181 1HG LYS 70 1HG LYS 70 2.622 12.354 -4.617 182 2HG LYS 70 2HG LYS 70 2.611 12.311 -2.866 183 1HD LYS 70 1HD LYS 70 5.049 12.405 -2.769 184 2HD LYS 70 2HD LYS 70 5.183 12.173 -4.501 185 1HE LYS 70 1HE LYS 70 3.643 14.543 -3.379 186 2HE LYS 70 2HE LYS 70 5.388 14.608 -3.527 187 1HZ LYS 70 1HZ LYS 70 4.366 15.448 -5.491 188 2HZ LYS 70 2HZ LYS 70 5.121 14.052 -5.872 189 3HZ LYS 70 3HZ LYS 70 3.496 14.084 -5.714 190 H ALA 71 H ALA 71 2.986 7.709 -2.602 191 HA ALA 71 HA ALA 71 2.918 6.033 -4.791 192 1HB ALA 71 1HB ALA 71 3.341 4.257 -3.159 193 2HB ALA 71 2HB ALA 71 4.255 5.718 -2.715 194 3HB ALA 71 3HB ALA 71 2.762 5.301 -1.839 195 H VAL 72 H VAL 72 0.474 6.613 -2.205 196 HA VAL 72 HA VAL 72 -1.239 4.534 -2.912 197 HB VAL 72 HB VAL 72 -1.795 7.226 -1.651 198 1HG1 VAL 72 1HG1 VAL 72 -3.781 5.897 -2.626 199 2HG1 VAL 72 2HG1 VAL 72 -3.477 4.742 -1.306 200 3HG1 VAL 72 3HG1 VAL 72 -3.882 6.434 -0.931 201 1HG2 VAL 72 1HG2 VAL 72 -1.896 5.271 0.316 202 2HG2 VAL 72 2HG2 VAL 72 -0.512 4.779 -0.689 203 3HG2 VAL 72 3HG2 VAL 72 -0.557 6.407 0.028 204 H ARG 73 H ARG 73 -1.766 8.070 -3.581 205 HA ARG 73 HA ARG 73 -3.788 7.769 -5.302 206 1HB ARG 73 1HB ARG 73 -1.530 9.800 -5.172 207 2HB ARG 73 2HB ARG 73 -2.751 9.940 -6.421 208 1HG ARG 73 1HG ARG 73 -4.537 10.130 -4.780 209 2HG ARG 73 2HG ARG 73 -3.465 9.681 -3.469 210 1HD ARG 73 1HD ARG 73 -3.856 12.144 -3.523 211 2HD ARG 73 2HD ARG 73 -2.163 11.761 -3.755 212 HE ARG 73 HE ARG 73 -2.290 12.573 -5.956 213 1HH1 ARG 73 2HH2 ARG 73 -5.543 12.043 -4.725 214 2HH1 ARG 73 1HH2 ARG 73 -6.310 12.897 -6.022 215 1HH2 ARG 73 2HH1 ARG 73 -3.303 13.680 -7.680 216 2HH2 ARG 73 1HH1 ARG 73 -5.029 13.807 -7.730 217 H GLY 74 H GLY 74 -0.312 7.228 -5.878 218 1HA GLY 74 1HA GLY 74 -0.426 7.283 -8.725 219 2HA GLY 74 2HA GLY 74 0.870 6.670 -7.717 220 H ALA 75 H ALA 75 -0.855 4.784 -6.183 221 HA ALA 75 HA ALA 75 -0.709 2.660 -8.135 222 1HB ALA 75 1HB ALA 75 -1.331 2.661 -5.154 223 2HB ALA 75 2HB ALA 75 -1.023 1.222 -6.155 224 3HB ALA 75 3HB ALA 75 0.273 2.410 -5.884 225 H THR 76 H THR 76 -3.085 4.770 -6.655 226 HA THR 76 HA THR 76 -5.219 3.051 -7.745 227 HB THR 76 HB THR 76 -6.606 3.867 -5.852 228 HG1 THR 76 1HG THR 76 -4.124 5.047 -4.886 229 1HG2 THR 76 1HG2 THR 76 -5.208 1.880 -5.304 230 2HG2 THR 76 2HG2 THR 76 -3.833 2.946 -4.926 231 3HG2 THR 76 3HG2 THR 76 -5.291 2.976 -3.903 232 H GLY 77 H GLY 77 -5.063 6.444 -6.505 233 1HA GLY 77 1HA GLY 77 -5.006 8.252 -8.141 234 2HA GLY 77 2HA GLY 77 -6.063 7.293 -9.158 235 H LEU 78 H LEU 78 -6.555 7.157 -5.665 236 HA LEU 78 HA LEU 78 -9.204 8.108 -5.945 237 1HB LEU 78 1HB LEU 78 -7.483 7.431 -3.561 238 2HB LEU 78 2HB LEU 78 -9.150 7.954 -3.421 239 HG LEU 78 HG LEU 78 -8.292 5.526 -5.014 240 1HD1 LEU 78 1HD1 LEU 78 -9.017 4.160 -3.128 241 2HD1 LEU 78 2HD1 LEU 78 -7.679 5.237 -2.657 242 3HD1 LEU 78 3HD1 LEU 78 -9.347 5.626 -2.174 243 1HD2 LEU 78 1HD2 LEU 78 -10.772 4.953 -4.568 244 2HD2 LEU 78 2HD2 LEU 78 -10.953 6.689 -4.223 245 3HD2 LEU 78 3HD2 LEU 78 -10.379 6.155 -5.821 246 H GLY 79 H GLY 79 -10.154 10.016 -4.934 247 1HA GLY 79 1HA GLY 79 -8.896 12.392 -5.548 248 2HA GLY 79 2HA GLY 79 -10.238 12.205 -4.436 249 H LEU 80 H LEU 80 -7.744 13.965 -4.367 250 HA LEU 80 HA LEU 80 -5.818 13.222 -2.661 251 1HB LEU 80 1HB LEU 80 -6.403 15.488 -3.803 252 2HB LEU 80 2HB LEU 80 -7.186 15.863 -2.281 253 HG LEU 80 HG LEU 80 -4.842 15.113 -1.274 254 1HD1 LEU 80 1HD1 LEU 80 -3.958 14.451 -3.510 255 2HD1 LEU 80 2HD1 LEU 80 -4.027 16.161 -3.996 256 3HD1 LEU 80 3HD1 LEU 80 -2.962 15.657 -2.662 257 1HD2 LEU 80 1HD2 LEU 80 -5.924 17.294 -0.972 258 2HD2 LEU 80 2HD2 LEU 80 -4.171 17.456 -1.240 259 3HD2 LEU 80 3HD2 LEU 80 -5.311 17.819 -2.558 260 H LYS 81 H LYS 81 -9.156 14.269 -1.734 261 HA LYS 81 HA LYS 81 -8.733 14.119 1.016 262 1HB LYS 81 1HB LYS 81 -10.619 15.270 -0.152 263 2HB LYS 81 2HB LYS 81 -11.321 13.706 -0.509 264 1HG LYS 81 1HG LYS 81 -12.426 14.267 1.484 265 2HG LYS 81 2HG LYS 81 -11.111 13.275 2.083 266 1HD LYS 81 1HD LYS 81 -9.796 15.247 2.684 267 2HD LYS 81 2HD LYS 81 -10.927 16.315 1.877 268 1HE LYS 81 1HE LYS 81 -11.592 16.514 4.126 269 2HE LYS 81 2HE LYS 81 -12.717 15.312 3.524 270 1HZ LYS 81 1HZ LYS 81 -10.469 14.969 5.305 271 2HZ LYS 81 2HZ LYS 81 -11.933 14.244 5.324 272 3HZ LYS 81 3HZ LYS 81 -10.784 13.737 4.279 273 H GLU 82 H GLU 82 -10.513 11.734 -1.080 274 HA GLU 82 HA GLU 82 -10.901 9.830 0.724 275 1HB GLU 82 1HB GLU 82 -10.189 9.640 -2.216 276 2HB GLU 82 2HB GLU 82 -10.515 8.187 -1.290 277 1HG GLU 82 1HG GLU 82 -12.465 10.499 -1.138 278 2HG GLU 82 2HG GLU 82 -12.489 9.455 -2.544 279 H ALA 83 H ALA 83 -7.848 10.342 -1.152 280 HA ALA 83 HA ALA 83 -6.541 8.063 -0.209 281 1HB ALA 83 1HB ALA 83 -5.812 9.273 -2.188 282 2HB ALA 83 2HB ALA 83 -5.505 10.738 -1.226 283 3HB ALA 83 3HB ALA 83 -4.497 9.290 -0.990 284 H LYS 84 H LYS 84 -6.616 11.484 0.972 285 HA LYS 84 HA LYS 84 -4.750 11.179 2.992 286 1HB LYS 84 1HB LYS 84 -5.703 13.320 2.096 287 2HB LYS 84 2HB LYS 84 -7.172 13.001 2.996 288 1HG LYS 84 1HG LYS 84 -6.076 14.236 4.610 289 2HG LYS 84 2HG LYS 84 -5.417 12.665 5.023 290 1HD LYS 84 1HD LYS 84 -3.459 13.938 4.859 291 2HD LYS 84 2HD LYS 84 -3.549 13.260 3.245 292 1HE LYS 84 1HE LYS 84 -4.656 15.339 2.420 293 2HE LYS 84 2HE LYS 84 -4.611 16.016 4.037 294 1HZ LYS 84 1HZ LYS 84 -2.286 16.073 3.976 295 2HZ LYS 84 2HZ LYS 84 -2.186 15.139 2.640 296 3HZ LYS 84 3HZ LYS 84 -2.763 16.663 2.530 297 H ASP 85 H ASP 85 -8.365 10.864 3.139 298 HA ASP 85 HA ASP 85 -8.512 10.310 5.795 299 1HB ASP 85 1HB ASP 85 -10.194 9.200 3.499 300 2HB ASP 85 2HB ASP 85 -10.658 9.089 5.185 301 H LEU 86 H LEU 86 -8.156 8.075 2.950 302 HA LEU 86 HA LEU 86 -8.355 5.669 4.219 303 1HB LEU 86 1HB LEU 86 -8.221 6.032 1.797 304 2HB LEU 86 2HB LEU 86 -6.519 6.427 1.942 305 HG LEU 86 HG LEU 86 -7.320 3.794 3.049 306 1HD1 LEU 86 1HD1 LEU 86 -7.379 4.338 0.069 307 2HD1 LEU 86 2HD1 LEU 86 -7.363 2.725 0.822 308 3HD1 LEU 86 3HD1 LEU 86 -8.741 3.820 1.091 309 1HD2 LEU 86 1HD2 LEU 86 -5.054 4.618 1.216 310 2HD2 LEU 86 2HD2 LEU 86 -4.984 4.618 2.994 311 3HD2 LEU 86 3HD2 LEU 86 -5.213 3.088 2.112 312 H VAL 87 H VAL 87 -5.281 7.522 3.627 313 HA VAL 87 HA VAL 87 -3.675 5.731 5.017 314 HB VAL 87 HB VAL 87 -3.417 8.652 4.314 315 1HG1 VAL 87 1HG1 VAL 87 -2.025 8.421 6.235 316 2HG1 VAL 87 2HG1 VAL 87 -1.405 6.847 5.684 317 3HG1 VAL 87 3HG1 VAL 87 -0.955 8.335 4.817 318 1HG2 VAL 87 1HG2 VAL 87 -3.424 7.156 2.410 319 2HG2 VAL 87 2HG2 VAL 87 -1.771 7.765 2.667 320 3HG2 VAL 87 3HG2 VAL 87 -2.201 6.114 3.175 321 H GLU 88 H GLU 88 -5.600 8.568 6.082 322 HA GLU 88 HA GLU 88 -4.409 8.648 8.626 323 1HB GLU 88 1HB GLU 88 -6.979 9.832 7.502 324 2HB GLU 88 2HB GLU 88 -6.445 10.129 9.145 325 1HG GLU 88 1HG GLU 88 -4.519 10.600 6.854 326 2HG GLU 88 2HG GLU 88 -5.756 11.795 7.193 327 H SER 89 H SER 89 -6.639 6.497 7.157 328 HA SER 89 HA SER 89 -7.801 5.847 9.744 329 1HB SER 89 1HB SER 89 -8.715 5.133 6.923 330 2HB SER 89 2HB SER 89 -9.507 4.579 8.384 331 HG SER 89 HG SER 89 -10.342 6.557 8.754 332 H ALA 90 H ALA 90 -5.042 5.136 8.561 333 HA ALA 90 HA ALA 90 -4.989 2.466 7.804 334 1HB ALA 90 1HB ALA 90 -2.599 2.656 8.803 335 2HB ALA 90 2HB ALA 90 -3.037 3.742 7.463 336 3HB ALA 90 3HB ALA 90 -3.030 4.351 9.135 337 HA PRO 91 HA PRO 91 -3.595 0.921 8.188 338 1HB PRO 91 1HB PRO 91 -4.054 -1.772 8.293 339 2HB PRO 91 2HB PRO 91 -2.672 -1.005 9.050 340 1HG PRO 91 1HG PRO 91 -5.125 -2.066 10.313 341 2HG PRO 91 2HG PRO 91 -3.582 -1.694 11.055 342 1HD PRO 91 1HD PRO 91 -5.977 -0.123 11.197 343 2HD PRO 91 2HD PRO 91 -4.404 0.305 11.840 344 H ALA 92 H ALA 92 -4.110 0.087 6.046 345 HA ALA 92 HA ALA 92 -6.901 -0.483 5.636 346 1HB ALA 92 1HB ALA 92 -7.307 1.435 4.175 347 2HB ALA 92 2HB ALA 92 -6.842 2.006 5.795 348 3HB ALA 92 3HB ALA 92 -5.659 2.040 4.466 349 H ALA 93 H ALA 93 -7.251 -1.535 3.636 350 HA ALA 93 HA ALA 93 -4.887 -2.571 2.409 351 1HB ALA 93 1HB ALA 93 -6.474 -3.881 1.094 352 2HB ALA 93 2HB ALA 93 -6.979 -3.881 2.800 353 3HB ALA 93 3HB ALA 93 -7.818 -2.841 1.625 354 H LEU 94 H LEU 94 -3.999 -2.057 0.407 355 HA LEU 94 HA LEU 94 -5.175 0.311 -0.869 356 1HB LEU 94 1HB LEU 94 -2.378 -0.565 -0.347 357 2HB LEU 94 2HB LEU 94 -2.696 0.309 -1.832 358 HG LEU 94 HG LEU 94 -3.706 2.156 -0.485 359 1HD1 LEU 94 1HD1 LEU 94 -2.782 0.438 1.824 360 2HD1 LEU 94 2HD1 LEU 94 -3.095 2.184 1.972 361 3HD1 LEU 94 3HD1 LEU 94 -4.410 1.081 1.502 362 1HD2 LEU 94 1HD2 LEU 94 -1.492 2.934 0.484 363 2HD2 LEU 94 2HD2 LEU 94 -0.824 1.371 -0.040 364 3HD2 LEU 94 3HD2 LEU 94 -1.498 2.497 -1.241 365 H LYS 95 H LYS 95 -4.041 -3.034 -1.246 366 HA LYS 95 HA LYS 95 -5.367 -3.093 -3.821 367 1HB LYS 95 1HB LYS 95 -2.680 -4.364 -3.823 368 2HB LYS 95 2HB LYS 95 -3.576 -3.613 -5.127 369 1HG LYS 95 1HG LYS 95 -3.085 -1.361 -4.217 370 2HG LYS 95 2HG LYS 95 -2.273 -2.070 -2.835 371 1HD LYS 95 1HD LYS 95 -0.483 -1.534 -4.290 372 2HD LYS 95 2HD LYS 95 -0.722 -3.248 -4.570 373 1HE LYS 95 1HE LYS 95 -2.257 -2.608 -6.531 374 2HE LYS 95 2HE LYS 95 -1.735 -0.950 -6.308 375 1HZ LYS 95 1HZ LYS 95 -0.328 -1.904 -7.888 376 2HZ LYS 95 2HZ LYS 95 0.572 -1.828 -6.528 377 3HZ LYS 95 3HZ LYS 95 -0.062 -3.253 -7.007 378 H GLU 96 H GLU 96 -6.063 -5.224 -4.412 379 HA GLU 96 HA GLU 96 -5.739 -7.128 -2.225 380 1HB GLU 96 1HB GLU 96 -8.238 -6.572 -3.881 381 2HB GLU 96 2HB GLU 96 -8.084 -7.906 -2.756 382 1HG GLU 96 1HG GLU 96 -7.599 -6.246 -0.912 383 2HG GLU 96 2HG GLU 96 -7.862 -4.942 -2.050 384 H GLY 97 H GLY 97 -4.998 -9.141 -2.812 385 1HA GLY 97 1HA GLY 97 -4.037 -10.671 -4.178 386 2HA GLY 97 2HA GLY 97 -5.619 -10.674 -4.932 387 H VAL 98 H VAL 98 -2.411 -9.007 -4.973 388 HA VAL 98 HA VAL 98 -2.874 -8.507 -7.831 389 HB VAL 98 HB VAL 98 -1.292 -6.596 -7.531 390 1HG1 VAL 98 1HG1 VAL 98 -3.794 -6.367 -5.830 391 2HG1 VAL 98 2HG1 VAL 98 -2.962 -5.068 -6.717 392 3HG1 VAL 98 3HG1 VAL 98 -3.790 -6.366 -7.611 393 1HG2 VAL 98 1HG2 VAL 98 -0.345 -7.495 -5.350 394 2HG2 VAL 98 2HG2 VAL 98 -0.728 -5.758 -5.380 395 3HG2 VAL 98 3HG2 VAL 98 -1.825 -6.896 -4.563 396 H SER 99 H SER 99 -0.741 -8.408 -9.095 397 HA SER 99 HA SER 99 0.498 -10.838 -8.822 398 1HB SER 99 1HB SER 99 2.083 -10.007 -10.529 399 2HB SER 99 2HB SER 99 0.436 -9.565 -10.930 400 HG SER 99 HG SER 99 0.814 -7.433 -10.369 401 H LYS 100 H LYS 100 2.545 -11.505 -7.980 402 HA LYS 100 HA LYS 100 3.346 -10.310 -5.627 403 1HB LYS 100 1HB LYS 100 3.830 -12.600 -5.988 404 2HB LYS 100 2HB LYS 100 4.673 -12.282 -7.492 405 1HG LYS 100 1HG LYS 100 6.467 -11.081 -6.261 406 2HG LYS 100 2HG LYS 100 5.610 -11.310 -4.751 407 1HD LYS 100 1HD LYS 100 6.363 -13.450 -4.520 408 2HD LYS 100 2HD LYS 100 5.965 -13.857 -6.177 409 1HE LYS 100 1HE LYS 100 8.357 -14.059 -6.001 410 2HE LYS 100 2HE LYS 100 8.065 -12.586 -6.903 411 1HZ LYS 100 1HZ LYS 100 8.653 -12.749 -4.030 412 2HZ LYS 100 2HZ LYS 100 9.661 -12.204 -5.194 413 3HZ LYS 100 3HZ LYS 100 8.309 -11.366 -4.825 414 H ASP 101 H ASP 101 4.596 -9.921 -8.986 415 HA ASP 101 HA ASP 101 6.873 -8.568 -8.379 416 1HB ASP 101 1HB ASP 101 4.950 -8.187 -10.721 417 2HB ASP 101 2HB ASP 101 6.560 -7.498 -10.677 418 H ASP 102 H ASP 102 3.462 -7.449 -8.686 419 HA ASP 102 HA ASP 102 4.107 -4.717 -8.639 420 1HB ASP 102 1HB ASP 102 1.585 -6.354 -8.251 421 2HB ASP 102 2HB ASP 102 1.552 -4.636 -7.905 422 H ALA 103 H ALA 103 3.412 -7.267 -6.238 423 HA ALA 103 HA ALA 103 2.766 -5.595 -4.076 424 1HB ALA 103 1HB ALA 103 4.022 -8.368 -4.052 425 2HB ALA 103 2HB ALA 103 3.074 -7.609 -2.751 426 3HB ALA 103 3HB ALA 103 2.286 -8.050 -4.285 427 H GLU 104 H GLU 104 5.865 -7.117 -5.179 428 HA GLU 104 HA GLU 104 7.308 -6.038 -3.026 429 1HB GLU 104 1HB GLU 104 7.866 -7.630 -5.463 430 2HB GLU 104 2HB GLU 104 9.195 -6.593 -4.985 431 1HG GLU 104 1HG GLU 104 9.517 -8.678 -3.822 432 2HG GLU 104 2HG GLU 104 8.973 -7.527 -2.619 433 H ALA 105 H ALA 105 6.325 -4.862 -6.205 434 HA ALA 105 HA ALA 105 8.327 -2.891 -6.487 435 1HB ALA 105 1HB ALA 105 5.524 -3.159 -7.646 436 2HB ALA 105 2HB ALA 105 6.745 -1.988 -8.200 437 3HB ALA 105 3HB ALA 105 7.039 -3.735 -8.381 438 H LEU 106 H LEU 106 4.913 -2.830 -5.259 439 HA LEU 106 HA LEU 106 5.004 -0.076 -4.649 440 1HB LEU 106 1HB LEU 106 2.934 -1.204 -5.108 441 2HB LEU 106 2HB LEU 106 3.179 -2.316 -3.775 442 HG LEU 106 HG LEU 106 1.500 -0.549 -3.318 443 1HD1 LEU 106 1HD1 LEU 106 3.702 0.015 -1.390 444 2HD1 LEU 106 2HD1 LEU 106 2.006 -0.440 -1.102 445 3HD1 LEU 106 3HD1 LEU 106 3.187 -1.676 -1.598 446 1HD2 LEU 106 1HD2 LEU 106 2.138 1.748 -2.971 447 2HD2 LEU 106 2HD2 LEU 106 3.841 1.376 -3.333 448 3HD2 LEU 106 3HD2 LEU 106 2.610 1.254 -4.614 449 H LYS 107 H LYS 107 5.558 -3.095 -2.754 450 HA LYS 107 HA LYS 107 5.776 -1.912 -0.264 451 1HB LYS 107 1HB LYS 107 5.571 -4.312 -0.592 452 2HB LYS 107 2HB LYS 107 7.127 -4.379 -1.395 453 1HG LYS 107 1HG LYS 107 8.261 -3.605 0.675 454 2HG LYS 107 2HG LYS 107 6.714 -3.447 1.485 455 1HD LYS 107 1HD LYS 107 7.371 -5.566 2.221 456 2HD LYS 107 2HD LYS 107 6.404 -5.997 0.825 457 1HE LYS 107 1HE LYS 107 8.444 -7.259 0.630 458 2HE LYS 107 2HE LYS 107 8.557 -5.979 -0.561 459 1HZ LYS 107 1HZ LYS 107 10.115 -4.897 0.648 460 2HZ LYS 107 2HZ LYS 107 9.602 -5.460 2.093 461 3HZ LYS 107 3HZ LYS 107 10.470 -6.425 1.102 462 H LYS 108 H LYS 108 8.312 -2.528 -2.777 463 HA LYS 108 HA LYS 108 10.466 -1.636 -1.313 464 1HB LYS 108 1HB LYS 108 9.853 -1.781 -4.255 465 2HB LYS 108 2HB LYS 108 11.349 -1.055 -3.704 466 1HG LYS 108 1HG LYS 108 10.549 -3.736 -2.562 467 2HG LYS 108 2HG LYS 108 11.183 -3.683 -4.195 468 1HD LYS 108 1HD LYS 108 12.618 -2.359 -1.853 469 2HD LYS 108 2HD LYS 108 12.899 -4.032 -2.293 470 1HE LYS 108 1HE LYS 108 13.317 -3.076 -4.720 471 2HE LYS 108 2HE LYS 108 13.504 -1.533 -3.911 472 1HZ LYS 108 1HZ LYS 108 15.019 -3.962 -3.244 473 2HZ LYS 108 2HZ LYS 108 15.586 -2.713 -4.131 474 3HZ LYS 108 3HZ LYS 108 15.217 -2.495 -2.555 475 H ALA 109 H ALA 109 7.992 0.190 -3.162 476 HA ALA 109 HA ALA 109 9.388 2.632 -3.126 477 1HB ALA 109 1HB ALA 109 6.422 1.992 -3.395 478 2HB ALA 109 2HB ALA 109 7.174 3.561 -3.774 479 3HB ALA 109 3HB ALA 109 7.600 2.117 -4.722 480 H LEU 110 H LEU 110 6.964 1.097 -0.941 481 HA LEU 110 HA LEU 110 6.636 3.338 0.712 482 1HB LEU 110 1HB LEU 110 6.079 0.410 0.905 483 2HB LEU 110 2HB LEU 110 5.994 1.380 2.362 484 HG LEU 110 HG LEU 110 3.867 0.941 0.875 485 1HD1 LEU 110 1HD1 LEU 110 2.841 2.942 1.767 486 2HD1 LEU 110 2HD1 LEU 110 3.969 2.262 2.964 487 3HD1 LEU 110 3HD1 LEU 110 4.437 3.692 2.013 488 1HD2 LEU 110 1HD2 LEU 110 4.996 1.870 -1.178 489 2HD2 LEU 110 2HD2 LEU 110 3.399 2.562 -0.800 490 3HD2 LEU 110 3HD2 LEU 110 4.879 3.480 -0.425 491 H GLU 111 H GLU 111 8.898 0.527 0.789 492 HA GLU 111 HA GLU 111 9.963 1.177 3.276 493 1HB GLU 111 1HB GLU 111 11.037 -0.453 0.940 494 2HB GLU 111 2HB GLU 111 11.898 -0.316 2.459 495 1HG GLU 111 1HG GLU 111 9.935 -1.238 3.680 496 2HG GLU 111 2HG GLU 111 9.026 -1.323 2.184 497 H GLU 112 H GLU 112 10.806 2.122 -0.087 498 HA GLU 112 HA GLU 112 13.238 3.273 0.430 499 1HB GLU 112 1HB GLU 112 11.073 3.804 -1.621 500 2HB GLU 112 2HB GLU 112 12.513 4.802 -1.590 501 1HG GLU 112 1HG GLU 112 12.859 1.802 -1.518 502 2HG GLU 112 2HG GLU 112 12.402 2.543 -3.039 503 H ALA 113 H ALA 113 9.915 4.485 0.959 504 HA ALA 113 HA ALA 113 10.827 7.149 1.544 505 1HB ALA 113 1HB ALA 113 8.642 6.656 0.457 506 2HB ALA 113 2HB ALA 113 8.115 5.820 1.938 507 3HB ALA 113 3HB ALA 113 8.454 7.568 1.973 508 H GLY 114 H GLY 114 10.160 4.111 3.246 509 1HA GLY 114 1HA GLY 114 11.214 3.733 5.337 510 2HA GLY 114 2HA GLY 114 11.009 5.424 5.745 511 H ALA 115 H ALA 115 8.350 3.783 4.104 512 HA ALA 115 HA ALA 115 6.756 4.113 6.511 513 1HB ALA 115 1HB ALA 115 5.964 5.024 4.351 514 2HB ALA 115 2HB ALA 115 6.002 3.388 3.651 515 3HB ALA 115 3HB ALA 115 4.866 3.765 4.967 516 H GLU 116 H GLU 116 5.083 2.298 6.942 517 HA GLU 116 HA GLU 116 6.559 -0.208 6.791 518 1HB GLU 116 1HB GLU 116 6.140 0.634 9.080 519 2HB GLU 116 2HB GLU 116 4.418 0.706 8.763 520 1HG GLU 116 1HG GLU 116 4.286 -1.720 8.503 521 2HG GLU 116 2HG GLU 116 6.032 -1.874 8.535 522 H VAL 117 H VAL 117 5.757 -1.810 5.500 523 HA VAL 117 HA VAL 117 2.958 -1.526 4.656 524 HB VAL 117 HB VAL 117 5.480 -2.300 3.286 525 1HG1 VAL 117 1HG1 VAL 117 4.170 -4.379 3.159 526 2HG1 VAL 117 2HG1 VAL 117 2.787 -3.469 2.503 527 3HG1 VAL 117 3HG1 VAL 117 4.298 -3.590 1.569 528 1HG2 VAL 117 1HG2 VAL 117 4.474 -1.071 1.433 529 2HG2 VAL 117 2HG2 VAL 117 2.942 -0.933 2.329 530 3HG2 VAL 117 3HG2 VAL 117 4.401 -0.106 2.928 531 H GLU 118 H GLU 118 1.802 -3.624 4.241 532 HA GLU 118 HA GLU 118 2.948 -5.822 5.742 533 1HB GLU 118 1HB GLU 118 1.509 -4.784 7.383 534 2HB GLU 118 2HB GLU 118 0.211 -4.584 6.223 535 1HG GLU 118 1HG GLU 118 -0.349 -6.493 7.607 536 2HG GLU 118 2HG GLU 118 0.068 -7.107 6.021 537 H VAL 119 H VAL 119 2.714 -7.760 4.672 538 HA VAL 119 HA VAL 119 0.898 -7.741 2.371 539 HB VAL 119 HB VAL 119 3.261 -9.528 2.974 540 1HG1 VAL 119 1HG1 VAL 119 1.598 -9.168 0.458 541 2HG1 VAL 119 2HG1 VAL 119 3.078 -10.147 0.583 542 3HG1 VAL 119 3HG1 VAL 119 1.631 -10.599 1.515 543 1HG2 VAL 119 1HG2 VAL 119 4.192 -7.386 2.642 544 2HG2 VAL 119 2HG2 VAL 119 4.309 -8.186 1.057 545 3HG2 VAL 119 3HG2 VAL 119 3.029 -6.985 1.354 546 H LYS 120 H LYS 120 -0.936 -8.933 2.463 547 HA LYS 120 HA LYS 120 -0.956 -11.209 4.301 548 1HB LYS 120 1HB LYS 120 -2.645 -8.770 4.426 549 2HB LYS 120 2HB LYS 120 -3.487 -10.295 4.608 550 1HG LYS 120 1HG LYS 120 -2.001 -10.963 6.450 551 2HG LYS 120 2HG LYS 120 -0.990 -9.554 6.201 552 1HD LYS 120 1HD LYS 120 -2.920 -8.066 6.773 553 2HD LYS 120 2HD LYS 120 -3.932 -9.475 7.023 554 1HE LYS 120 1HE LYS 120 -2.334 -10.261 8.818 555 2HE LYS 120 2HE LYS 120 -1.410 -8.786 8.605 556 1HZ LYS 120 1HZ LYS 120 -3.555 -7.606 9.063 557 2HZ LYS 120 2HZ LYS 120 -4.168 -9.038 9.553 558 3HZ LYS 120 3HZ LYS 120 -2.890 -8.386 10.334 Start of MODEL 9 1 1H ALA 47 H ALA 47 5.997 -27.268 0.643 2 HA ALA 47 HA ALA 47 5.214 -24.716 -0.197 3 1HB ALA 47 1HB ALA 47 7.368 -25.247 0.862 4 2HB ALA 47 2HB ALA 47 7.804 -26.287 -0.515 5 3HB ALA 47 3HB ALA 47 7.627 -24.532 -0.746 6 H ALA 48 H ALA 48 6.204 -23.896 -2.443 7 HA ALA 48 HA ALA 48 6.101 -23.902 -4.656 8 1HB ALA 48 1HB ALA 48 5.719 -26.885 -4.786 9 2HB ALA 48 2HB ALA 48 6.697 -25.821 -5.824 10 3HB ALA 48 3HB ALA 48 7.265 -26.235 -4.189 11 H GLU 49 H GLU 49 3.890 -23.015 -3.606 12 HA GLU 49 HA GLU 49 1.746 -24.616 -4.762 13 1HB GLU 49 1HB GLU 49 1.719 -22.556 -2.517 14 2HB GLU 49 2HB GLU 49 0.256 -23.197 -3.237 15 1HG GLU 49 1HG GLU 49 0.607 -25.359 -2.380 16 2HG GLU 49 2HG GLU 49 2.345 -25.157 -2.281 17 H GLU 50 H GLU 50 -0.143 -23.251 -5.663 18 HA GLU 50 HA GLU 50 1.036 -21.316 -7.413 19 1HB GLU 50 1HB GLU 50 -1.509 -22.883 -7.292 20 2HB GLU 50 2HB GLU 50 -1.604 -21.331 -8.101 21 1HG GLU 50 1HG GLU 50 0.646 -23.259 -8.761 22 2HG GLU 50 2HG GLU 50 -0.933 -23.466 -9.493 23 H LYS 51 H LYS 51 1.535 -19.719 -5.681 24 HA LYS 51 HA LYS 51 -0.871 -18.325 -4.746 25 1HB LYS 51 1HB LYS 51 0.638 -19.201 -2.992 26 2HB LYS 51 2HB LYS 51 1.955 -18.249 -3.648 27 1HG LYS 51 1HG LYS 51 0.665 -16.155 -3.247 28 2HG LYS 51 2HG LYS 51 -0.684 -17.091 -2.632 29 1HD LYS 51 1HD LYS 51 0.842 -18.022 -0.835 30 2HD LYS 51 2HD LYS 51 2.116 -16.969 -1.415 31 1HE LYS 51 1HE LYS 51 0.528 -14.991 -1.036 32 2HE LYS 51 2HE LYS 51 -0.573 -16.108 -0.255 33 1HZ LYS 51 1HZ LYS 51 0.789 -15.138 1.383 34 2HZ LYS 51 2HZ LYS 51 1.285 -16.687 1.239 35 3HZ LYS 51 3HZ LYS 51 2.169 -15.481 0.581 36 H THR 52 H THR 52 -1.430 -16.834 -6.271 37 HA THR 52 HA THR 52 0.690 -14.958 -7.053 38 HB THR 52 HB THR 52 -0.234 -14.995 -9.364 39 HG1 THR 52 1HG THR 52 -1.827 -17.187 -8.245 40 1HG2 THR 52 1HG2 THR 52 0.158 -17.868 -8.377 41 2HG2 THR 52 2HG2 THR 52 0.359 -17.283 -10.046 42 3HG2 THR 52 3HG2 THR 52 1.498 -16.767 -8.779 43 H GLU 53 H GLU 53 -1.474 -15.014 -4.935 44 HA GLU 53 HA GLU 53 -2.746 -12.564 -5.856 45 1HB GLU 53 1HB GLU 53 -4.051 -14.921 -4.446 46 2HB GLU 53 2HB GLU 53 -4.766 -13.322 -4.418 47 1HG GLU 53 1HG GLU 53 -4.774 -13.287 -6.926 48 2HG GLU 53 2HG GLU 53 -4.074 -14.893 -6.946 49 H PHE 54 H PHE 54 -1.249 -11.263 -4.702 50 HA PHE 54 HA PHE 54 -1.193 -11.722 -1.809 51 1HB PHE 54 1HB PHE 54 0.593 -10.234 -3.819 52 2HB PHE 54 2HB PHE 54 0.844 -10.115 -2.088 53 HD1 PHE 54 1HD PHE 54 0.837 -12.484 -4.931 54 HD2 PHE 54 2HD PHE 54 2.010 -11.798 -0.911 55 HE1 PHE 54 1HE PHE 54 2.262 -14.549 -4.996 56 HE2 PHE 54 2HE PHE 54 3.436 -13.864 -0.976 57 HZ PHE 54 HZ PHE 54 3.544 -15.215 -3.017 58 H ASP 55 H ASP 55 -1.703 -10.037 -0.363 59 HA ASP 55 HA ASP 55 -2.993 -7.777 -1.670 60 1HB ASP 55 1HB ASP 55 -3.401 -8.582 1.228 61 2HB ASP 55 2HB ASP 55 -4.464 -7.631 0.211 62 H VAL 56 H VAL 56 -2.279 -5.669 -1.096 63 HA VAL 56 HA VAL 56 -0.053 -5.595 0.820 64 HB VAL 56 HB VAL 56 -0.681 -3.771 -1.511 65 1HG1 VAL 56 1HG1 VAL 56 1.748 -3.889 0.312 66 2HG1 VAL 56 2HG1 VAL 56 1.552 -2.829 -1.105 67 3HG1 VAL 56 3HG1 VAL 56 0.496 -2.623 0.313 68 1HG2 VAL 56 1HG2 VAL 56 0.905 -6.270 -1.274 69 2HG2 VAL 56 2HG2 VAL 56 0.104 -5.542 -2.687 70 3HG2 VAL 56 3HG2 VAL 56 1.684 -4.927 -2.147 71 H ILE 57 H ILE 57 -0.621 -4.790 2.768 72 HA ILE 57 HA ILE 57 -2.813 -2.840 2.804 73 HB ILE 57 HB ILE 57 -1.912 -4.996 4.636 74 1HG1 ILE 57 1HG1 ILE 57 -4.380 -5.206 4.943 75 2HG1 ILE 57 2HG1 ILE 57 -4.610 -3.872 3.831 76 1HG2 ILE 57 1HG2 ILE 57 -1.593 -3.081 6.069 77 2HG2 ILE 57 2HG2 ILE 57 -3.182 -2.424 5.609 78 3HG2 ILE 57 3HG2 ILE 57 -3.081 -3.934 6.546 79 1HD1 ILE 57 1HD1 ILE 57 -4.706 -6.322 2.902 80 2HD1 ILE 57 2HD1 ILE 57 -3.808 -5.095 1.974 81 3HD1 ILE 57 3HD1 ILE 57 -2.929 -6.254 3.001 82 H LEU 58 H LEU 58 -2.570 -0.864 3.950 83 HA LEU 58 HA LEU 58 0.234 -0.165 4.419 84 1HB LEU 58 1HB LEU 58 -1.012 1.135 2.743 85 2HB LEU 58 2HB LEU 58 -2.181 1.594 3.965 86 HG LEU 58 HG LEU 58 -0.442 3.324 3.385 87 1HD1 LEU 58 1HD1 LEU 58 -1.818 3.152 5.553 88 2HD1 LEU 58 2HD1 LEU 58 -0.299 2.613 6.309 89 3HD1 LEU 58 3HD1 LEU 58 -0.390 4.215 5.541 90 1HD2 LEU 58 1HD2 LEU 58 1.442 1.643 3.262 91 2HD2 LEU 58 2HD2 LEU 58 1.791 3.142 4.156 92 3HD2 LEU 58 3HD2 LEU 58 1.444 1.637 5.043 93 H LYS 59 H LYS 59 0.927 -0.223 6.481 94 HA LYS 59 HA LYS 59 -1.089 -0.306 8.564 95 1HB LYS 59 1HB LYS 59 1.903 -0.804 8.647 96 2HB LYS 59 2HB LYS 59 0.801 -1.019 9.992 97 1HG LYS 59 1HG LYS 59 0.180 -2.407 7.378 98 2HG LYS 59 2HG LYS 59 1.440 -3.069 8.401 99 1HD LYS 59 1HD LYS 59 -1.197 -2.351 9.685 100 2HD LYS 59 2HD LYS 59 -1.131 -3.794 8.692 101 1HE LYS 59 1HE LYS 59 0.761 -4.670 10.053 102 2HE LYS 59 2HE LYS 59 0.758 -3.211 11.023 103 1HZ LYS 59 1HZ LYS 59 -1.685 -4.783 10.767 104 2HZ LYS 59 2HZ LYS 59 -0.530 -5.236 11.830 105 3HZ LYS 59 3HZ LYS 59 -1.238 -3.771 11.969 106 H ALA 60 H ALA 60 2.061 1.424 7.991 107 HA ALA 60 HA ALA 60 0.825 3.800 9.153 108 1HB ALA 60 1HB ALA 60 2.020 2.504 10.958 109 2HB ALA 60 2HB ALA 60 3.527 2.715 10.034 110 3HB ALA 60 3HB ALA 60 2.670 4.136 10.678 111 H ALA 61 H ALA 61 1.270 5.580 7.934 112 HA ALA 61 HA ALA 61 2.784 5.319 5.581 113 1HB ALA 61 1HB ALA 61 0.812 6.892 6.164 114 2HB ALA 61 2HB ALA 61 2.042 7.932 6.924 115 3HB ALA 61 3HB ALA 61 2.142 7.559 5.186 116 H GLY 62 H GLY 62 3.576 6.138 8.915 117 1HA GLY 62 1HA GLY 62 5.611 6.382 9.876 118 2HA GLY 62 2HA GLY 62 6.377 6.151 8.318 119 H ALA 63 H ALA 63 7.873 7.900 8.756 120 HA ALA 63 HA ALA 63 6.699 10.533 9.130 121 1HB ALA 63 1HB ALA 63 9.014 11.216 9.546 122 2HB ALA 63 2HB ALA 63 8.629 9.768 10.507 123 3HB ALA 63 3HB ALA 63 9.603 9.619 9.025 124 H ASN 64 H ASN 64 6.046 9.248 6.654 125 HA ASN 64 HA ASN 64 7.179 11.217 4.915 126 1HB ASN 64 1HB ASN 64 8.477 8.814 4.904 127 2HB ASN 64 2HB ASN 64 7.187 8.424 3.784 128 1HD2 ASN 64 1HD2 ASN 64 6.846 11.124 2.813 129 2HD2 ASN 64 2HD2 ASN 64 8.157 11.441 1.726 130 H LYS 65 H LYS 65 4.639 11.361 5.741 131 HA LYS 65 HA LYS 65 2.791 9.608 4.595 132 1HB LYS 65 1HB LYS 65 2.696 11.585 6.455 133 2HB LYS 65 2HB LYS 65 1.960 12.413 5.098 134 1HG LYS 65 1HG LYS 65 0.040 11.227 5.329 135 2HG LYS 65 2HG LYS 65 0.905 9.706 5.248 136 1HD LYS 65 1HD LYS 65 -0.079 9.649 7.401 137 2HD LYS 65 2HD LYS 65 1.568 10.151 7.731 138 1HE LYS 65 1HE LYS 65 0.826 12.547 7.760 139 2HE LYS 65 2HE LYS 65 -0.821 12.039 7.442 140 1HZ LYS 65 1HZ LYS 65 -0.735 12.208 9.710 141 2HZ LYS 65 2HZ LYS 65 -0.482 10.609 9.510 142 3HZ LYS 65 3HZ LYS 65 0.774 11.599 9.842 143 H VAL 66 H VAL 66 4.671 12.274 3.288 144 HA VAL 66 HA VAL 66 2.923 13.015 1.227 145 HB VAL 66 HB VAL 66 5.918 13.215 1.554 146 1HG1 VAL 66 1HG1 VAL 66 5.428 13.332 -0.815 147 2HG1 VAL 66 2HG1 VAL 66 4.117 14.500 -0.525 148 3HG1 VAL 66 3HG1 VAL 66 5.808 14.964 -0.217 149 1HG2 VAL 66 1HG2 VAL 66 3.626 15.121 2.091 150 2HG2 VAL 66 2HG2 VAL 66 4.813 14.473 3.248 151 3HG2 VAL 66 3HG2 VAL 66 5.327 15.638 2.005 152 H ALA 67 H ALA 67 5.936 10.976 1.093 153 HA ALA 67 HA ALA 67 5.624 10.198 -1.530 154 1HB ALA 67 1HB ALA 67 7.145 8.325 -0.878 155 2HB ALA 67 2HB ALA 67 7.686 9.904 -0.258 156 3HB ALA 67 3HB ALA 67 6.885 8.747 0.831 157 H VAL 68 H VAL 68 4.333 8.735 1.508 158 HA VAL 68 HA VAL 68 3.322 6.417 0.384 159 HB VAL 68 HB VAL 68 2.483 8.102 2.741 160 1HG1 VAL 68 1HG1 VAL 68 1.272 6.000 3.501 161 2HG1 VAL 68 2HG1 VAL 68 0.500 6.915 2.184 162 3HG1 VAL 68 3HG1 VAL 68 1.405 5.424 1.821 163 1HG2 VAL 68 1HG2 VAL 68 3.632 5.393 3.085 164 2HG2 VAL 68 2HG2 VAL 68 4.731 6.614 2.400 165 3HG2 VAL 68 3HG2 VAL 68 3.953 6.901 3.974 166 H ILE 69 H ILE 69 1.512 9.486 1.140 167 HA ILE 69 HA ILE 69 -0.863 8.748 0.022 168 HB ILE 69 HB ILE 69 0.512 11.375 0.436 169 1HG1 ILE 69 1HG1 ILE 69 -2.107 10.439 1.596 170 2HG1 ILE 69 2HG1 ILE 69 -0.585 9.870 2.254 171 1HG2 ILE 69 1HG2 ILE 69 -2.121 10.939 -0.982 172 2HG2 ILE 69 2HG2 ILE 69 -1.689 12.465 -0.174 173 3HG2 ILE 69 3HG2 ILE 69 -0.706 11.869 -1.532 174 1HD1 ILE 69 1HD1 ILE 69 -1.141 12.834 1.837 175 2HD1 ILE 69 2HD1 ILE 69 -1.582 11.983 3.337 176 3HD1 ILE 69 3HD1 ILE 69 0.124 12.086 2.841 177 H LYS 70 H LYS 70 2.119 9.908 -1.574 178 HA LYS 70 HA LYS 70 0.930 10.374 -4.081 179 1HB LYS 70 1HB LYS 70 3.748 9.976 -3.098 180 2HB LYS 70 2HB LYS 70 3.414 10.074 -4.814 181 1HG LYS 70 1HG LYS 70 2.262 12.270 -4.466 182 2HG LYS 70 2HG LYS 70 2.588 12.170 -2.747 183 1HD LYS 70 1HD LYS 70 5.010 12.242 -3.135 184 2HD LYS 70 2HD LYS 70 4.783 12.121 -4.869 185 1HE LYS 70 1HE LYS 70 3.772 14.320 -4.988 186 2HE LYS 70 2HE LYS 70 3.599 14.414 -3.247 187 1HZ LYS 70 1HZ LYS 70 6.206 14.200 -4.577 188 2HZ LYS 70 2HZ LYS 70 5.519 15.627 -4.179 189 3HZ LYS 70 3HZ LYS 70 5.923 14.560 -3.010 190 H ALA 71 H ALA 71 2.773 7.553 -2.731 191 HA ALA 71 HA ALA 71 2.598 5.960 -4.985 192 1HB ALA 71 1HB ALA 71 2.988 4.101 -3.363 193 2HB ALA 71 2HB ALA 71 4.073 5.486 -3.098 194 3HB ALA 71 3HB ALA 71 2.673 5.235 -2.029 195 H VAL 72 H VAL 72 0.323 6.393 -2.212 196 HA VAL 72 HA VAL 72 -1.453 4.384 -2.913 197 HB VAL 72 HB VAL 72 -1.877 7.036 -1.526 198 1HG1 VAL 72 1HG1 VAL 72 -4.035 6.293 -2.234 199 2HG1 VAL 72 2HG1 VAL 72 -3.687 4.615 -1.753 200 3HG1 VAL 72 3HG1 VAL 72 -3.879 5.875 -0.511 201 1HG2 VAL 72 1HG2 VAL 72 -1.968 4.697 0.169 202 2HG2 VAL 72 2HG2 VAL 72 -0.442 4.735 -0.748 203 3HG2 VAL 72 3HG2 VAL 72 -0.906 6.123 0.264 204 H ARG 73 H ARG 73 -2.012 7.938 -3.432 205 HA ARG 73 HA ARG 73 -4.101 7.661 -5.094 206 1HB ARG 73 1HB ARG 73 -3.236 9.827 -4.165 207 2HB ARG 73 2HB ARG 73 -1.889 9.770 -5.285 208 1HG ARG 73 1HG ARG 73 -3.381 9.952 -7.212 209 2HG ARG 73 2HG ARG 73 -4.799 9.745 -6.203 210 1HD ARG 73 1HD ARG 73 -4.775 12.074 -6.419 211 2HD ARG 73 2HD ARG 73 -3.869 11.889 -4.931 212 HE ARG 73 HE ARG 73 -1.922 11.746 -6.916 213 1HH1 ARG 73 2HH2 ARG 73 -4.303 14.106 -5.858 214 2HH1 ARG 73 1HH2 ARG 73 -3.481 15.451 -6.576 215 1HH2 ARG 73 2HH1 ARG 73 -0.823 13.522 -7.850 216 2HH2 ARG 73 1HH1 ARG 73 -1.457 15.123 -7.665 217 H GLY 74 H GLY 74 -0.643 7.215 -5.785 218 1HA GLY 74 1HA GLY 74 -0.812 7.466 -8.618 219 2HA GLY 74 2HA GLY 74 0.509 6.799 -7.682 220 H ALA 75 H ALA 75 -1.277 4.824 -6.254 221 HA ALA 75 HA ALA 75 -1.120 2.822 -8.340 222 1HB ALA 75 1HB ALA 75 -1.437 1.260 -6.448 223 2HB ALA 75 2HB ALA 75 -0.121 2.413 -6.123 224 3HB ALA 75 3HB ALA 75 -1.712 2.639 -5.357 225 H THR 76 H THR 76 -3.468 4.870 -6.763 226 HA THR 76 HA THR 76 -5.627 3.193 -7.866 227 HB THR 76 HB THR 76 -6.994 4.054 -5.962 228 HG1 THR 76 1HG THR 76 -4.475 5.107 -4.961 229 1HG2 THR 76 1HG2 THR 76 -4.253 3.019 -5.055 230 2HG2 THR 76 2HG2 THR 76 -5.715 3.074 -4.039 231 3HG2 THR 76 3HG2 THR 76 -5.659 2.006 -5.462 232 H GLY 77 H GLY 77 -5.344 6.593 -6.650 233 1HA GLY 77 1HA GLY 77 -5.294 8.378 -8.314 234 2HA GLY 77 2HA GLY 77 -6.432 7.447 -9.268 235 H LEU 78 H LEU 78 -6.801 7.320 -5.771 236 HA LEU 78 HA LEU 78 -9.388 8.460 -5.943 237 1HB LEU 78 1HB LEU 78 -7.650 7.600 -3.633 238 2HB LEU 78 2HB LEU 78 -9.271 8.235 -3.430 239 HG LEU 78 HG LEU 78 -8.669 5.813 -5.141 240 1HD1 LEU 78 1HD1 LEU 78 -7.892 5.403 -2.841 241 2HD1 LEU 78 2HD1 LEU 78 -9.506 5.835 -2.227 242 3HD1 LEU 78 3HD1 LEU 78 -9.303 4.404 -3.268 243 1HD2 LEU 78 1HD2 LEU 78 -10.804 5.991 -5.714 244 2HD2 LEU 78 2HD2 LEU 78 -11.253 5.716 -4.015 245 3HD2 LEU 78 3HD2 LEU 78 -11.030 7.374 -4.618 246 H GLY 79 H GLY 79 -10.157 10.401 -4.832 247 1HA GLY 79 1HA GLY 79 -8.754 12.695 -5.453 248 2HA GLY 79 2HA GLY 79 -10.056 12.578 -4.287 249 H LEU 80 H LEU 80 -7.447 14.156 -4.286 250 HA LEU 80 HA LEU 80 -5.511 13.234 -2.679 251 1HB LEU 80 1HB LEU 80 -5.949 15.554 -3.755 252 2HB LEU 80 2HB LEU 80 -6.677 15.961 -2.212 253 HG LEU 80 HG LEU 80 -4.414 15.104 -1.206 254 1HD1 LEU 80 1HD1 LEU 80 -3.513 15.829 -4.007 255 2HD1 LEU 80 2HD1 LEU 80 -2.480 15.389 -2.625 256 3HD1 LEU 80 3HD1 LEU 80 -3.572 14.180 -3.341 257 1HD2 LEU 80 1HD2 LEU 80 -4.674 17.746 -2.668 258 2HD2 LEU 80 2HD2 LEU 80 -5.201 17.386 -1.006 259 3HD2 LEU 80 3HD2 LEU 80 -3.468 17.377 -1.412 260 H LYS 81 H LYS 81 -8.711 14.527 -1.586 261 HA LYS 81 HA LYS 81 -8.206 14.249 1.138 262 1HB LYS 81 1HB LYS 81 -10.013 15.616 0.277 263 2HB LYS 81 2HB LYS 81 -10.799 14.222 -0.432 264 1HG LYS 81 1HG LYS 81 -11.163 13.230 1.799 265 2HG LYS 81 2HG LYS 81 -10.252 14.522 2.558 266 1HD LYS 81 1HD LYS 81 -11.949 16.175 1.612 267 2HD LYS 81 2HD LYS 81 -12.894 14.808 1.052 268 1HE LYS 81 1HE LYS 81 -12.117 15.333 3.962 269 2HE LYS 81 2HE LYS 81 -13.691 15.661 3.266 270 1HZ LYS 81 1HZ LYS 81 -13.700 13.240 2.655 271 2HZ LYS 81 2HZ LYS 81 -12.418 13.053 3.650 272 3HZ LYS 81 3HZ LYS 81 -13.844 13.579 4.247 273 H GLU 82 H GLU 82 -10.203 12.068 -0.987 274 HA GLU 82 HA GLU 82 -10.707 10.139 0.756 275 1HB GLU 82 1HB GLU 82 -9.954 9.905 -2.182 276 2HB GLU 82 2HB GLU 82 -10.535 8.530 -1.263 277 1HG GLU 82 1HG GLU 82 -12.513 10.159 -0.578 278 2HG GLU 82 2HG GLU 82 -12.008 11.081 -1.978 279 H ALA 83 H ALA 83 -7.621 10.532 -1.088 280 HA ALA 83 HA ALA 83 -6.465 8.135 -0.214 281 1HB ALA 83 1HB ALA 83 -5.287 10.762 -1.198 282 2HB ALA 83 2HB ALA 83 -4.343 9.272 -0.957 283 3HB ALA 83 3HB ALA 83 -5.649 9.313 -2.165 284 H LYS 84 H LYS 84 -6.310 11.530 1.035 285 HA LYS 84 HA LYS 84 -4.481 11.046 3.059 286 1HB LYS 84 1HB LYS 84 -5.162 13.275 2.253 287 2HB LYS 84 2HB LYS 84 -6.746 13.060 2.968 288 1HG LYS 84 1HG LYS 84 -5.666 12.780 5.226 289 2HG LYS 84 2HG LYS 84 -4.098 13.057 4.493 290 1HD LYS 84 1HD LYS 84 -4.477 15.253 5.000 291 2HD LYS 84 2HD LYS 84 -5.473 15.251 3.559 292 1HE LYS 84 1HE LYS 84 -7.483 14.699 4.927 293 2HE LYS 84 2HE LYS 84 -6.496 14.646 6.376 294 1HZ LYS 84 1HZ LYS 84 -6.815 17.011 4.659 295 2HZ LYS 84 2HZ LYS 84 -7.586 16.770 6.079 296 3HZ LYS 84 3HZ LYS 84 -5.964 16.949 6.052 297 H ASP 85 H ASP 85 -8.112 10.992 3.158 298 HA ASP 85 HA ASP 85 -8.344 10.411 5.800 299 1HB ASP 85 1HB ASP 85 -10.047 9.431 3.461 300 2HB ASP 85 2HB ASP 85 -10.550 9.339 5.137 301 H LEU 86 H LEU 86 -8.085 8.188 2.935 302 HA LEU 86 HA LEU 86 -8.414 5.780 4.161 303 1HB LEU 86 1HB LEU 86 -8.244 6.070 1.773 304 2HB LEU 86 2HB LEU 86 -6.565 6.560 1.905 305 HG LEU 86 HG LEU 86 -7.275 3.873 2.988 306 1HD1 LEU 86 1HD1 LEU 86 -8.571 3.939 0.912 307 2HD1 LEU 86 2HD1 LEU 86 -7.113 4.419 0.009 308 3HD1 LEU 86 3HD1 LEU 86 -7.192 2.819 0.786 309 1HD2 LEU 86 1HD2 LEU 86 -5.008 4.471 3.205 310 2HD2 LEU 86 2HD2 LEU 86 -5.069 3.351 1.823 311 3HD2 LEU 86 3HD2 LEU 86 -4.924 5.103 1.544 312 H VAL 87 H VAL 87 -5.248 7.504 3.675 313 HA VAL 87 HA VAL 87 -3.756 5.628 5.081 314 HB VAL 87 HB VAL 87 -3.356 8.550 4.450 315 1HG1 VAL 87 1HG1 VAL 87 -1.465 6.614 5.814 316 2HG1 VAL 87 2HG1 VAL 87 -0.917 8.088 4.982 317 3HG1 VAL 87 3HG1 VAL 87 -2.008 8.211 6.382 318 1HG2 VAL 87 1HG2 VAL 87 -1.738 7.646 2.798 319 2HG2 VAL 87 2HG2 VAL 87 -2.219 5.996 3.264 320 3HG2 VAL 87 3HG2 VAL 87 -3.403 7.090 2.510 321 H GLU 88 H GLU 88 -5.610 8.510 6.138 322 HA GLU 88 HA GLU 88 -4.476 8.526 8.709 323 1HB GLU 88 1HB GLU 88 -6.888 9.843 7.431 324 2HB GLU 88 2HB GLU 88 -6.616 9.991 9.156 325 1HG GLU 88 1HG GLU 88 -4.308 10.881 8.697 326 2HG GLU 88 2HG GLU 88 -4.622 10.773 6.977 327 H SER 89 H SER 89 -6.760 6.474 7.163 328 HA SER 89 HA SER 89 -7.980 5.816 9.721 329 1HB SER 89 1HB SER 89 -9.792 4.809 8.462 330 2HB SER 89 2HB SER 89 -9.498 6.406 7.805 331 HG SER 89 HG SER 89 -9.750 4.540 6.239 332 H ALA 90 H ALA 90 -5.214 5.051 8.593 333 HA ALA 90 HA ALA 90 -5.110 2.452 7.741 334 1HB ALA 90 1HB ALA 90 -3.139 3.813 7.798 335 2HB ALA 90 2HB ALA 90 -3.289 4.077 9.551 336 3HB ALA 90 3HB ALA 90 -2.853 2.468 8.927 337 HA PRO 91 HA PRO 91 -3.841 0.833 8.141 338 1HB PRO 91 1HB PRO 91 -4.382 -1.841 7.961 339 2HB PRO 91 2HB PRO 91 -3.077 -1.190 8.933 340 1HG PRO 91 1HG PRO 91 -5.687 -2.260 9.813 341 2HG PRO 91 2HG PRO 91 -4.230 -2.009 10.754 342 1HD PRO 91 1HD PRO 91 -6.581 -0.367 10.761 343 2HD PRO 91 2HD PRO 91 -5.083 -0.053 11.611 344 H ALA 92 H ALA 92 -4.128 0.182 5.891 345 HA ALA 92 HA ALA 92 -6.969 0.087 5.205 346 1HB ALA 92 1HB ALA 92 -4.929 2.158 4.359 347 2HB ALA 92 2HB ALA 92 -6.344 1.784 3.346 348 3HB ALA 92 3HB ALA 92 -6.571 2.406 4.998 349 H ALA 93 H ALA 93 -7.315 -0.675 2.946 350 HA ALA 93 HA ALA 93 -5.223 -2.564 2.224 351 1HB ALA 93 1HB ALA 93 -7.394 -3.532 2.382 352 2HB ALA 93 2HB ALA 93 -8.141 -2.196 1.474 353 3HB ALA 93 3HB ALA 93 -7.080 -3.356 0.639 354 H LEU 94 H LEU 94 -3.665 -1.879 0.846 355 HA LEU 94 HA LEU 94 -4.204 0.352 -0.893 356 1HB LEU 94 1HB LEU 94 -1.856 -1.144 0.079 357 2HB LEU 94 2HB LEU 94 -1.724 -0.543 -1.562 358 HG LEU 94 HG LEU 94 -2.354 1.147 0.876 359 1HD1 LEU 94 1HD1 LEU 94 -0.104 2.018 0.682 360 2HD1 LEU 94 2HD1 LEU 94 -0.052 0.248 0.868 361 3HD1 LEU 94 3HD1 LEU 94 0.210 0.982 -0.731 362 1HD2 LEU 94 1HD2 LEU 94 -1.470 2.772 -1.228 363 2HD2 LEU 94 2HD2 LEU 94 -2.651 1.658 -1.956 364 3HD2 LEU 94 3HD2 LEU 94 -3.115 2.659 -0.560 365 H LYS 95 H LYS 95 -3.464 -3.178 -1.182 366 HA LYS 95 HA LYS 95 -4.877 -3.149 -3.720 367 1HB LYS 95 1HB LYS 95 -2.269 -4.591 -3.744 368 2HB LYS 95 2HB LYS 95 -3.157 -3.846 -5.056 369 1HG LYS 95 1HG LYS 95 -2.552 -1.582 -4.193 370 2HG LYS 95 2HG LYS 95 -1.682 -2.316 -2.861 371 1HD LYS 95 1HD LYS 95 0.055 -1.927 -4.391 372 2HD LYS 95 2HD LYS 95 -0.346 -3.596 -4.740 373 1HE LYS 95 1HE LYS 95 -1.882 -2.789 -6.592 374 2HE LYS 95 2HE LYS 95 -1.342 -1.150 -6.279 375 1HZ LYS 95 1HZ LYS 95 0.970 -2.170 -6.591 376 2HZ LYS 95 2HZ LYS 95 0.186 -3.388 -7.346 377 3HZ LYS 95 3HZ LYS 95 0.064 -1.862 -7.914 378 H GLU 96 H GLU 96 -5.696 -5.251 -4.314 379 HA GLU 96 HA GLU 96 -5.361 -7.239 -2.218 380 1HB GLU 96 1HB GLU 96 -8.012 -6.324 -3.415 381 2HB GLU 96 2HB GLU 96 -7.834 -7.746 -2.406 382 1HG GLU 96 1HG GLU 96 -6.828 -6.233 -0.604 383 2HG GLU 96 2HG GLU 96 -7.252 -4.858 -1.603 384 H GLY 97 H GLY 97 -4.815 -9.215 -3.050 385 1HA GLY 97 1HA GLY 97 -4.455 -10.860 -4.537 386 2HA GLY 97 2HA GLY 97 -6.005 -10.435 -5.237 387 H VAL 98 H VAL 98 -2.659 -9.001 -5.074 388 HA VAL 98 HA VAL 98 -2.884 -8.570 -7.974 389 HB VAL 98 HB VAL 98 -1.365 -6.644 -7.621 390 1HG1 VAL 98 1HG1 VAL 98 -3.904 -6.375 -5.985 391 2HG1 VAL 98 2HG1 VAL 98 -3.066 -5.116 -6.922 392 3HG1 VAL 98 3HG1 VAL 98 -3.879 -6.457 -7.762 393 1HG2 VAL 98 1HG2 VAL 98 -0.858 -5.781 -5.472 394 2HG2 VAL 98 2HG2 VAL 98 -1.997 -6.888 -4.669 395 3HG2 VAL 98 3HG2 VAL 98 -0.497 -7.522 -5.389 396 H SER 99 H SER 99 -0.649 -8.497 -9.058 397 HA SER 99 HA SER 99 0.574 -10.920 -8.591 398 1HB SER 99 1HB SER 99 2.340 -10.053 -10.173 399 2HB SER 99 2HB SER 99 0.701 -9.880 -10.769 400 HG SER 99 HG SER 99 1.969 -7.938 -11.087 401 H LYS 100 H LYS 100 2.588 -11.508 -7.604 402 HA LYS 100 HA LYS 100 3.190 -10.134 -5.263 403 1HB LYS 100 1HB LYS 100 3.555 -12.566 -5.723 404 2HB LYS 100 2HB LYS 100 4.915 -12.142 -6.744 405 1HG LYS 100 1HG LYS 100 5.324 -10.700 -4.326 406 2HG LYS 100 2HG LYS 100 4.777 -12.288 -3.825 407 1HD LYS 100 1HD LYS 100 7.181 -12.413 -4.016 408 2HD LYS 100 2HD LYS 100 6.521 -13.308 -5.371 409 1HE LYS 100 1HE LYS 100 7.004 -11.540 -6.925 410 2HE LYS 100 2HE LYS 100 7.234 -10.363 -5.648 411 1HZ LYS 100 1HZ LYS 100 9.273 -11.363 -6.703 412 2HZ LYS 100 2HZ LYS 100 9.247 -11.313 -5.071 413 3HZ LYS 100 3HZ LYS 100 8.955 -12.718 -5.850 414 H ASP 101 H ASP 101 4.652 -10.048 -8.547 415 HA ASP 101 HA ASP 101 6.947 -8.722 -7.862 416 1HB ASP 101 1HB ASP 101 5.260 -8.558 -10.402 417 2HB ASP 101 2HB ASP 101 6.882 -7.906 -10.279 418 H ASP 102 H ASP 102 3.640 -7.543 -8.731 419 HA ASP 102 HA ASP 102 4.360 -4.850 -8.866 420 1HB ASP 102 1HB ASP 102 1.756 -6.368 -8.543 421 2HB ASP 102 2HB ASP 102 1.755 -4.621 -8.402 422 H ALA 103 H ALA 103 3.086 -7.047 -6.305 423 HA ALA 103 HA ALA 103 2.432 -5.096 -4.421 424 1HB ALA 103 1HB ALA 103 3.260 -8.014 -4.192 425 2HB ALA 103 2HB ALA 103 2.664 -7.047 -2.820 426 3HB ALA 103 3HB ALA 103 1.609 -7.350 -4.221 427 H GLU 104 H GLU 104 5.486 -6.928 -5.057 428 HA GLU 104 HA GLU 104 6.751 -5.839 -2.792 429 1HB GLU 104 1HB GLU 104 7.612 -7.486 -5.168 430 2HB GLU 104 2HB GLU 104 8.848 -6.753 -4.167 431 1HG GLU 104 1HG GLU 104 7.401 -7.787 -2.167 432 2HG GLU 104 2HG GLU 104 6.804 -8.852 -3.424 433 H ALA 105 H ALA 105 6.348 -4.860 -6.172 434 HA ALA 105 HA ALA 105 8.598 -3.197 -6.366 435 1HB ALA 105 1HB ALA 105 7.403 -3.996 -8.323 436 2HB ALA 105 2HB ALA 105 5.906 -3.196 -7.788 437 3HB ALA 105 3HB ALA 105 7.308 -2.219 -8.287 438 H LEU 106 H LEU 106 5.128 -2.512 -5.542 439 HA LEU 106 HA LEU 106 5.622 0.227 -5.059 440 1HB LEU 106 1HB LEU 106 3.447 -0.927 -5.689 441 2HB LEU 106 2HB LEU 106 3.330 -1.428 -4.013 442 HG LEU 106 HG LEU 106 3.802 1.340 -3.905 443 1HD1 LEU 106 1HD1 LEU 106 2.083 2.324 -5.308 444 2HD1 LEU 106 2HD1 LEU 106 3.284 1.471 -6.308 445 3HD1 LEU 106 3HD1 LEU 106 1.698 0.728 -5.996 446 1HD2 LEU 106 1HD2 LEU 106 1.188 -0.169 -3.637 447 2HD2 LEU 106 2HD2 LEU 106 2.426 0.005 -2.370 448 3HD2 LEU 106 3HD2 LEU 106 1.558 1.440 -2.970 449 H LYS 107 H LYS 107 5.205 -2.656 -2.901 450 HA LYS 107 HA LYS 107 5.429 -1.434 -0.488 451 1HB LYS 107 1HB LYS 107 4.942 -3.805 -0.786 452 2HB LYS 107 2HB LYS 107 6.567 -4.104 -1.369 453 1HG LYS 107 1HG LYS 107 7.142 -2.857 1.008 454 2HG LYS 107 2HG LYS 107 5.612 -3.604 1.422 455 1HD LYS 107 1HD LYS 107 7.354 -5.195 1.968 456 2HD LYS 107 2HD LYS 107 6.514 -5.813 0.561 457 1HE LYS 107 1HE LYS 107 8.344 -5.563 -0.810 458 2HE LYS 107 2HE LYS 107 8.796 -4.025 -0.100 459 1HZ LYS 107 1HZ LYS 107 10.371 -5.786 0.387 460 2HZ LYS 107 2HZ LYS 107 9.718 -5.189 1.760 461 3HZ LYS 107 3HZ LYS 107 9.225 -6.636 1.182 462 H LYS 108 H LYS 108 8.113 -2.446 -2.696 463 HA LYS 108 HA LYS 108 10.180 -1.814 -0.964 464 1HB LYS 108 1HB LYS 108 9.896 -2.187 -3.919 465 2HB LYS 108 2HB LYS 108 11.379 -1.474 -3.318 466 1HG LYS 108 1HG LYS 108 11.746 -3.397 -1.812 467 2HG LYS 108 2HG LYS 108 10.202 -4.089 -2.267 468 1HD LYS 108 1HD LYS 108 10.951 -4.446 -4.565 469 2HD LYS 108 2HD LYS 108 12.419 -3.529 -4.287 470 1HE LYS 108 1HE LYS 108 13.274 -5.667 -3.995 471 2HE LYS 108 2HE LYS 108 12.789 -5.344 -2.342 472 1HZ LYS 108 1HZ LYS 108 11.169 -6.763 -4.343 473 2HZ LYS 108 2HZ LYS 108 11.964 -7.450 -3.093 474 3HZ LYS 108 3HZ LYS 108 10.703 -6.452 -2.808 475 H ALA 109 H ALA 109 8.294 0.211 -3.254 476 HA ALA 109 HA ALA 109 9.993 2.446 -3.088 477 1HB ALA 109 1HB ALA 109 7.017 2.340 -3.715 478 2HB ALA 109 2HB ALA 109 8.177 3.598 -4.210 479 3HB ALA 109 3HB ALA 109 8.304 1.955 -4.883 480 H LEU 110 H LEU 110 7.042 1.409 -1.283 481 HA LEU 110 HA LEU 110 6.811 3.789 0.188 482 1HB LEU 110 1HB LEU 110 5.756 0.995 0.485 483 2HB LEU 110 2HB LEU 110 5.484 2.189 1.737 484 HG LEU 110 HG LEU 110 4.503 3.675 -0.122 485 1HD1 LEU 110 1HD1 LEU 110 4.470 1.003 -1.554 486 2HD1 LEU 110 2HD1 LEU 110 3.559 2.451 -2.050 487 3HD1 LEU 110 3HD1 LEU 110 5.338 2.476 -2.051 488 1HD2 LEU 110 1HD2 LEU 110 2.307 2.689 0.126 489 2HD2 LEU 110 2HD2 LEU 110 3.023 1.137 0.623 490 3HD2 LEU 110 3HD2 LEU 110 3.198 2.572 1.663 491 H GLU 111 H GLU 111 8.593 0.714 0.703 492 HA GLU 111 HA GLU 111 9.306 1.291 3.335 493 1HB GLU 111 1HB GLU 111 10.414 -0.560 1.204 494 2HB GLU 111 2HB GLU 111 11.205 -0.423 2.762 495 1HG GLU 111 1HG GLU 111 8.941 -0.922 3.853 496 2HG GLU 111 2HG GLU 111 8.316 -1.265 2.252 497 H GLU 112 H GLU 112 10.888 1.911 0.151 498 HA GLU 112 HA GLU 112 13.281 2.838 1.101 499 1HB GLU 112 1HB GLU 112 11.654 3.346 -1.386 500 2HB GLU 112 2HB GLU 112 13.082 4.322 -1.111 501 1HG GLU 112 1HG GLU 112 14.485 2.296 -0.928 502 2HG GLU 112 2HG GLU 112 13.072 1.268 -1.055 503 H ALA 113 H ALA 113 10.078 4.387 0.969 504 HA ALA 113 HA ALA 113 11.151 7.008 1.484 505 1HB ALA 113 1HB ALA 113 9.204 6.919 0.120 506 2HB ALA 113 2HB ALA 113 8.373 5.812 1.239 507 3HB ALA 113 3HB ALA 113 8.640 7.510 1.702 508 H GLY 114 H GLY 114 10.152 4.175 3.285 509 1HA GLY 114 1HA GLY 114 10.739 3.901 5.527 510 2HA GLY 114 2HA GLY 114 10.691 5.637 5.769 511 H ALA 115 H ALA 115 8.378 3.123 4.501 512 HA ALA 115 HA ALA 115 6.483 4.054 6.541 513 1HB ALA 115 1HB ALA 115 5.841 3.353 3.647 514 2HB ALA 115 2HB ALA 115 4.679 3.862 4.895 515 3HB ALA 115 3HB ALA 115 5.914 5.003 4.310 516 H GLU 116 H GLU 116 5.036 2.402 7.337 517 HA GLU 116 HA GLU 116 6.274 -0.188 7.127 518 1HB GLU 116 1HB GLU 116 5.687 0.825 9.352 519 2HB GLU 116 2HB GLU 116 3.991 0.754 8.917 520 1HG GLU 116 1HG GLU 116 4.289 -1.769 8.554 521 2HG GLU 116 2HG GLU 116 5.893 -1.610 9.243 522 H VAL 117 H VAL 117 5.536 -1.732 5.738 523 HA VAL 117 HA VAL 117 2.740 -1.484 4.863 524 HB VAL 117 HB VAL 117 5.046 -2.704 3.343 525 1HG1 VAL 117 1HG1 VAL 117 2.192 -1.990 2.621 526 2HG1 VAL 117 2HG1 VAL 117 3.451 -2.316 1.403 527 3HG1 VAL 117 3HG1 VAL 117 2.983 -3.584 2.559 528 1HG2 VAL 117 1HG2 VAL 117 3.903 0.103 3.177 529 2HG2 VAL 117 2HG2 VAL 117 5.562 -0.364 3.618 530 3HG2 VAL 117 3HG2 VAL 117 4.978 -0.622 1.956 531 H GLU 118 H GLU 118 1.665 -3.583 4.341 532 HA GLU 118 HA GLU 118 2.891 -5.775 5.818 533 1HB GLU 118 1HB GLU 118 1.134 -4.900 7.247 534 2HB GLU 118 2HB GLU 118 -0.008 -4.848 5.917 535 1HG GLU 118 1HG GLU 118 0.020 -7.311 5.737 536 2HG GLU 118 2HG GLU 118 1.267 -7.419 6.963 537 H VAL 119 H VAL 119 2.885 -7.752 4.756 538 HA VAL 119 HA VAL 119 1.355 -7.829 2.246 539 HB VAL 119 HB VAL 119 3.976 -9.204 2.859 540 1HG1 VAL 119 1HG1 VAL 119 4.056 -9.562 0.419 541 2HG1 VAL 119 2HG1 VAL 119 2.632 -10.332 1.158 542 3HG1 VAL 119 3HG1 VAL 119 2.453 -8.805 0.261 543 1HG2 VAL 119 1HG2 VAL 119 4.536 -6.914 2.848 544 2HG2 VAL 119 2HG2 VAL 119 4.888 -7.476 1.196 545 3HG2 VAL 119 3HG2 VAL 119 3.402 -6.552 1.524 546 H LYS 120 H LYS 120 -0.374 -9.149 2.457 547 HA LYS 120 HA LYS 120 0.061 -11.649 3.920 548 1HB LYS 120 1HB LYS 120 -2.203 -11.454 4.872 549 2HB LYS 120 2HB LYS 120 -1.130 -10.190 5.434 550 1HG LYS 120 1HG LYS 120 -2.162 -8.527 4.074 551 2HG LYS 120 2HG LYS 120 -2.884 -9.712 3.005 552 1HD LYS 120 1HD LYS 120 -3.659 -9.625 5.941 553 2HD LYS 120 2HD LYS 120 -4.397 -8.520 4.799 554 1HE LYS 120 1HE LYS 120 -4.313 -11.477 4.141 555 2HE LYS 120 2HE LYS 120 -5.507 -10.890 5.282 556 1HZ LYS 120 1HZ LYS 120 -6.426 -10.805 3.130 557 2HZ LYS 120 2HZ LYS 120 -6.150 -9.256 3.570 558 3HZ LYS 120 3HZ LYS 120 -5.149 -9.995 2.511 Start of MODEL 10 1 1H ALA 47 H ALA 47 5.550 -26.750 -11.258 2 HA ALA 47 HA ALA 47 3.578 -28.705 -11.826 3 1HB ALA 47 1HB ALA 47 2.256 -28.329 -9.766 4 2HB ALA 47 2HB ALA 47 3.817 -29.103 -9.407 5 3HB ALA 47 3HB ALA 47 3.591 -27.367 -9.089 6 H ALA 48 H ALA 48 1.529 -27.646 -12.357 7 HA ALA 48 HA ALA 48 2.012 -24.919 -13.222 8 1HB ALA 48 1HB ALA 48 1.119 -26.534 -14.825 9 2HB ALA 48 2HB ALA 48 -0.243 -26.899 -13.740 10 3HB ALA 48 3HB ALA 48 -0.107 -25.289 -14.485 11 H GLU 49 H GLU 49 2.078 -24.261 -10.830 12 HA GLU 49 HA GLU 49 -0.645 -24.006 -9.831 13 1HB GLU 49 1HB GLU 49 2.038 -23.890 -8.390 14 2HB GLU 49 2HB GLU 49 0.517 -23.489 -7.619 15 1HG GLU 49 1HG GLU 49 -0.358 -25.778 -8.195 16 2HG GLU 49 2HG GLU 49 1.191 -26.175 -8.914 17 H GLU 50 H GLU 50 -1.274 -21.904 -8.854 18 HA GLU 50 HA GLU 50 0.163 -19.747 -10.186 19 1HB GLU 50 1HB GLU 50 -2.707 -20.336 -9.733 20 2HB GLU 50 2HB GLU 50 -2.270 -18.675 -9.384 21 1HG GLU 50 1HG GLU 50 -1.218 -18.464 -11.635 22 2HG GLU 50 2HG GLU 50 -1.607 -20.136 -11.986 23 H LYS 51 H LYS 51 1.433 -18.515 -8.875 24 HA LYS 51 HA LYS 51 0.493 -18.118 -6.123 25 1HB LYS 51 1HB LYS 51 2.922 -18.105 -5.459 26 2HB LYS 51 2HB LYS 51 2.272 -19.667 -5.913 27 1HG LYS 51 1HG LYS 51 3.417 -18.120 -8.186 28 2HG LYS 51 2HG LYS 51 4.585 -18.556 -6.954 29 1HD LYS 51 1HD LYS 51 2.649 -20.633 -8.033 30 2HD LYS 51 2HD LYS 51 4.111 -20.244 -8.918 31 1HE LYS 51 1HE LYS 51 5.506 -20.838 -6.967 32 2HE LYS 51 2HE LYS 51 4.079 -21.097 -5.983 33 1HZ LYS 51 1HZ LYS 51 5.246 -23.038 -7.237 34 2HZ LYS 51 2HZ LYS 51 3.626 -23.026 -7.030 35 3HZ LYS 51 3HZ LYS 51 4.268 -22.577 -8.462 36 H THR 52 H THR 52 -0.521 -16.300 -7.609 37 HA THR 52 HA THR 52 1.340 -14.033 -7.429 38 HB THR 52 HB THR 52 0.268 -13.221 -9.597 39 HG1 THR 52 1HG THR 52 -1.628 -14.595 -9.447 40 1HG2 THR 52 1HG2 THR 52 2.456 -14.620 -9.568 41 2HG2 THR 52 2HG2 THR 52 1.431 -16.023 -9.956 42 3HG2 THR 52 3HG2 THR 52 1.525 -14.650 -11.085 43 H GLU 53 H GLU 53 -0.576 -15.016 -5.475 44 HA GLU 53 HA GLU 53 -2.508 -12.839 -5.675 45 1HB GLU 53 1HB GLU 53 -2.727 -15.565 -4.340 46 2HB GLU 53 2HB GLU 53 -3.856 -14.266 -4.009 47 1HG GLU 53 1HG GLU 53 -4.599 -14.190 -6.311 48 2HG GLU 53 2HG GLU 53 -3.271 -15.198 -6.851 49 H PHE 54 H PHE 54 -1.704 -11.142 -4.494 50 HA PHE 54 HA PHE 54 -1.017 -11.704 -1.726 51 1HB PHE 54 1HB PHE 54 0.680 -10.294 -3.863 52 2HB PHE 54 2HB PHE 54 0.976 -10.048 -2.152 53 HD1 PHE 54 1HD PHE 54 1.104 -12.494 -4.890 54 HD2 PHE 54 2HD PHE 54 2.042 -11.740 -0.822 55 HE1 PHE 54 1HE PHE 54 2.568 -14.533 -4.851 56 HE2 PHE 54 2HE PHE 54 3.505 -13.780 -0.780 57 HZ PHE 54 HZ PHE 54 3.750 -15.151 -2.796 58 H ASP 55 H ASP 55 -1.611 -10.052 -0.314 59 HA ASP 55 HA ASP 55 -2.965 -7.839 -1.630 60 1HB ASP 55 1HB ASP 55 -3.238 -9.022 1.172 61 2HB ASP 55 2HB ASP 55 -4.075 -7.572 0.655 62 H VAL 56 H VAL 56 -2.286 -5.697 -1.153 63 HA VAL 56 HA VAL 56 0.010 -5.500 0.664 64 HB VAL 56 HB VAL 56 -0.809 -3.891 -1.758 65 1HG1 VAL 56 1HG1 VAL 56 0.083 -2.375 -0.062 66 2HG1 VAL 56 2HG1 VAL 56 1.510 -3.420 0.147 67 3HG1 VAL 56 3HG1 VAL 56 1.246 -2.573 -1.397 68 1HG2 VAL 56 1HG2 VAL 56 0.232 -5.934 -2.420 69 2HG2 VAL 56 2HG2 VAL 56 1.465 -4.658 -2.569 70 3HG2 VAL 56 3HG2 VAL 56 1.499 -5.772 -1.180 71 H ILE 57 H ILE 57 -0.565 -4.757 2.641 72 HA ILE 57 HA ILE 57 -2.737 -2.787 2.727 73 HB ILE 57 HB ILE 57 -1.739 -4.821 4.705 74 1HG1 ILE 57 1HG1 ILE 57 -4.620 -4.444 4.143 75 2HG1 ILE 57 2HG1 ILE 57 -3.667 -5.004 2.782 76 1HG2 ILE 57 1HG2 ILE 57 -3.526 -2.434 5.236 77 2HG2 ILE 57 2HG2 ILE 57 -3.381 -3.845 6.312 78 3HG2 ILE 57 3HG2 ILE 57 -1.963 -2.817 5.997 79 1HD1 ILE 57 1HD1 ILE 57 -3.659 -6.285 5.555 80 2HD1 ILE 57 2HD1 ILE 57 -4.553 -6.898 4.143 81 3HD1 ILE 57 3HD1 ILE 57 -2.773 -6.875 4.129 82 H LEU 58 H LEU 58 -2.458 -0.844 3.937 83 HA LEU 58 HA LEU 58 0.365 -0.205 4.395 84 1HB LEU 58 1HB LEU 58 -0.787 1.152 2.729 85 2HB LEU 58 2HB LEU 58 -2.019 1.584 3.897 86 HG LEU 58 HG LEU 58 -0.213 3.308 3.414 87 1HD1 LEU 58 1HD1 LEU 58 -1.792 3.174 5.441 88 2HD1 LEU 58 2HD1 LEU 58 -0.357 2.634 6.345 89 3HD1 LEU 58 3HD1 LEU 58 -0.362 4.227 5.551 90 1HD2 LEU 58 1HD2 LEU 58 1.934 3.115 4.384 91 2HD2 LEU 58 2HD2 LEU 58 1.488 1.637 5.268 92 3HD2 LEU 58 3HD2 LEU 58 1.653 1.598 3.497 93 H LYS 59 H LYS 59 1.033 -0.343 6.464 94 HA LYS 59 HA LYS 59 -1.005 -0.422 8.521 95 1HB LYS 59 1HB LYS 59 1.840 -1.299 8.262 96 2HB LYS 59 2HB LYS 59 1.248 -0.921 9.867 97 1HG LYS 59 1HG LYS 59 -0.795 -2.434 9.278 98 2HG LYS 59 2HG LYS 59 0.164 -2.995 7.922 99 1HD LYS 59 1HD LYS 59 1.370 -4.368 9.266 100 2HD LYS 59 2HD LYS 59 1.819 -3.029 10.305 101 1HE LYS 59 1HE LYS 59 0.631 -4.518 11.741 102 2HE LYS 59 2HE LYS 59 -0.525 -3.251 11.380 103 1HZ LYS 59 1HZ LYS 59 -1.636 -5.239 11.027 104 2HZ LYS 59 2HZ LYS 59 -1.262 -4.747 9.515 105 3HZ LYS 59 3HZ LYS 59 -0.397 -5.937 10.225 106 H ALA 60 H ALA 60 2.128 1.317 7.904 107 HA ALA 60 HA ALA 60 0.970 3.624 9.273 108 1HB ALA 60 1HB ALA 60 3.469 2.100 10.043 109 2HB ALA 60 2HB ALA 60 3.297 3.832 10.412 110 3HB ALA 60 3HB ALA 60 2.135 2.660 11.081 111 H ALA 61 H ALA 61 1.300 5.445 8.087 112 HA ALA 61 HA ALA 61 2.731 5.334 5.671 113 1HB ALA 61 1HB ALA 61 0.748 6.827 6.395 114 2HB ALA 61 2HB ALA 61 1.976 7.858 7.166 115 3HB ALA 61 3HB ALA 61 2.025 7.576 5.409 116 H GLY 62 H GLY 62 3.632 5.992 9.009 117 1HA GLY 62 1HA GLY 62 5.689 6.264 9.910 118 2HA GLY 62 2HA GLY 62 6.405 6.146 8.314 119 H ALA 63 H ALA 63 7.852 7.928 8.875 120 HA ALA 63 HA ALA 63 6.576 10.494 9.358 121 1HB ALA 63 1HB ALA 63 9.521 9.737 9.191 122 2HB ALA 63 2HB ALA 63 8.841 11.250 9.837 123 3HB ALA 63 3HB ALA 63 8.554 9.711 10.685 124 H ASN 64 H ASN 64 5.968 9.292 6.830 125 HA ASN 64 HA ASN 64 7.063 11.357 5.169 126 1HB ASN 64 1HB ASN 64 8.444 9.064 5.023 127 2HB ASN 64 2HB ASN 64 7.092 8.538 4.041 128 1HD2 ASN 64 1HD2 ASN 64 9.840 8.941 3.276 129 2HD2 ASN 64 2HD2 ASN 64 9.869 10.107 1.997 130 H LYS 65 H LYS 65 4.528 11.445 6.036 131 HA LYS 65 HA LYS 65 2.661 9.774 4.823 132 1HB LYS 65 1HB LYS 65 2.570 11.648 6.756 133 2HB LYS 65 2HB LYS 65 1.913 12.592 5.434 134 1HG LYS 65 1HG LYS 65 0.280 10.694 4.976 135 2HG LYS 65 2HG LYS 65 0.878 9.890 6.413 136 1HD LYS 65 1HD LYS 65 -0.041 12.759 6.650 137 2HD LYS 65 2HD LYS 65 -1.256 11.503 6.518 138 1HE LYS 65 1HE LYS 65 1.011 11.342 8.549 139 2HE LYS 65 2HE LYS 65 -0.497 12.157 8.909 140 1HZ LYS 65 1HZ LYS 65 0.034 9.369 8.702 141 2HZ LYS 65 2HZ LYS 65 -1.170 10.143 9.489 142 3HZ LYS 65 3HZ LYS 65 -1.314 9.817 7.896 143 H VAL 66 H VAL 66 4.515 12.537 3.631 144 HA VAL 66 HA VAL 66 2.776 13.269 1.554 145 HB VAL 66 HB VAL 66 5.743 13.604 2.002 146 1HG1 VAL 66 1HG1 VAL 66 5.425 13.722 -0.377 147 2HG1 VAL 66 2HG1 VAL 66 3.994 14.762 -0.188 148 3HG1 VAL 66 3HG1 VAL 66 5.606 15.383 0.237 149 1HG2 VAL 66 1HG2 VAL 66 4.252 14.738 3.611 150 2HG2 VAL 66 2HG2 VAL 66 5.147 15.897 2.599 151 3HG2 VAL 66 3HG2 VAL 66 3.433 15.558 2.261 152 H ALA 67 H ALA 67 5.849 11.318 1.483 153 HA ALA 67 HA ALA 67 5.669 10.610 -1.178 154 1HB ALA 67 1HB ALA 67 7.674 10.346 0.228 155 2HB ALA 67 2HB ALA 67 6.857 9.077 1.171 156 3HB ALA 67 3HB ALA 67 7.240 8.804 -0.547 157 H VAL 68 H VAL 68 4.264 9.071 1.765 158 HA VAL 68 HA VAL 68 3.372 6.745 0.549 159 HB VAL 68 HB VAL 68 2.362 8.351 2.896 160 1HG1 VAL 68 1HG1 VAL 68 1.514 5.589 1.967 161 2HG1 VAL 68 2HG1 VAL 68 1.173 6.258 3.581 162 3HG1 VAL 68 3HG1 VAL 68 0.491 7.037 2.132 163 1HG2 VAL 68 1HG2 VAL 68 4.682 6.885 2.585 164 2HG2 VAL 68 2HG2 VAL 68 3.907 7.292 4.135 165 3HG2 VAL 68 3HG2 VAL 68 3.581 5.723 3.361 166 H ILE 69 H ILE 69 1.502 9.790 1.247 167 HA ILE 69 HA ILE 69 -0.832 9.018 0.060 168 HB ILE 69 HB ILE 69 0.489 11.674 0.489 169 1HG1 ILE 69 1HG1 ILE 69 -2.089 10.629 1.660 170 2HG1 ILE 69 2HG1 ILE 69 -0.534 10.183 2.334 171 1HG2 ILE 69 1HG2 ILE 69 -0.751 12.103 -1.491 172 2HG2 ILE 69 2HG2 ILE 69 -2.148 11.167 -0.905 173 3HG2 ILE 69 3HG2 ILE 69 -1.724 12.713 -0.131 174 1HD1 ILE 69 1HD1 ILE 69 -1.305 12.129 3.547 175 2HD1 ILE 69 2HD1 ILE 69 0.022 12.670 2.490 176 3HD1 ILE 69 3HD1 ILE 69 -1.668 12.998 2.034 177 H LYS 70 H LYS 70 2.181 10.231 -1.437 178 HA LYS 70 HA LYS 70 1.074 10.657 -3.988 179 1HB LYS 70 1HB LYS 70 3.867 10.301 -2.916 180 2HB LYS 70 2HB LYS 70 3.577 10.413 -4.639 181 1HG LYS 70 1HG LYS 70 2.433 12.593 -4.338 182 2HG LYS 70 2HG LYS 70 2.611 12.472 -2.598 183 1HD LYS 70 1HD LYS 70 5.080 12.516 -2.813 184 2HD LYS 70 2HD LYS 70 4.952 12.528 -4.560 185 1HE LYS 70 1HE LYS 70 3.653 14.708 -4.392 186 2HE LYS 70 2HE LYS 70 3.956 14.709 -2.667 187 1HZ LYS 70 1HZ LYS 70 5.849 15.055 -4.842 188 2HZ LYS 70 2HZ LYS 70 5.698 15.908 -3.458 189 3HZ LYS 70 3HZ LYS 70 6.388 14.427 -3.434 190 H ALA 71 H ALA 71 2.949 7.887 -2.574 191 HA ALA 71 HA ALA 71 2.886 6.277 -4.811 192 1HB ALA 71 1HB ALA 71 2.900 5.647 -1.835 193 2HB ALA 71 2HB ALA 71 3.147 4.420 -3.100 194 3HB ALA 71 3HB ALA 71 4.298 5.766 -2.930 195 H VAL 72 H VAL 72 0.457 6.740 -2.186 196 HA VAL 72 HA VAL 72 -1.226 4.653 -2.922 197 HB VAL 72 HB VAL 72 -1.722 7.302 -1.558 198 1HG1 VAL 72 1HG1 VAL 72 -3.851 6.639 -2.408 199 2HG1 VAL 72 2HG1 VAL 72 -3.583 4.941 -1.948 200 3HG1 VAL 72 3HG1 VAL 72 -3.818 6.179 -0.689 201 1HG2 VAL 72 1HG2 VAL 72 -0.465 4.881 -0.731 202 2HG2 VAL 72 2HG2 VAL 72 -0.817 6.335 0.235 203 3HG2 VAL 72 3HG2 VAL 72 -2.011 5.017 0.143 204 H ARG 73 H ARG 73 -1.836 8.187 -3.525 205 HA ARG 73 HA ARG 73 -3.858 7.861 -5.245 206 1HB ARG 73 1HB ARG 73 -2.128 9.983 -4.443 207 2HB ARG 73 2HB ARG 73 -2.119 10.020 -6.194 208 1HG ARG 73 1HG ARG 73 -4.643 10.003 -6.179 209 2HG ARG 73 2HG ARG 73 -4.613 10.049 -4.428 210 1HD ARG 73 1HD ARG 73 -4.888 12.331 -5.101 211 2HD ARG 73 2HD ARG 73 -3.208 12.203 -4.625 212 HE ARG 73 HE ARG 73 -3.416 11.608 -7.422 213 1HH1 ARG 73 2HH2 ARG 73 -3.745 14.332 -5.222 214 2HH1 ARG 73 1HH2 ARG 73 -3.245 15.505 -6.394 215 1HH2 ARG 73 2HH1 ARG 73 -2.755 13.153 -8.970 216 2HH2 ARG 73 1HH1 ARG 73 -2.693 14.831 -8.546 217 H GLY 74 H GLY 74 -0.369 7.448 -5.844 218 1HA GLY 74 1HA GLY 74 -0.500 7.557 -8.690 219 2HA GLY 74 2HA GLY 74 0.824 6.973 -7.701 220 H ALA 75 H ALA 75 -0.853 5.003 -6.197 221 HA ALA 75 HA ALA 75 -0.618 2.919 -8.183 222 1HB ALA 75 1HB ALA 75 -1.222 2.866 -5.198 223 2HB ALA 75 2HB ALA 75 -0.909 1.439 -6.215 224 3HB ALA 75 3HB ALA 75 0.375 2.643 -5.950 225 H THR 76 H THR 76 -3.071 4.929 -6.706 226 HA THR 76 HA THR 76 -5.142 3.122 -7.771 227 HB THR 76 HB THR 76 -6.559 3.947 -5.902 228 HG1 THR 76 1HG THR 76 -5.221 5.318 -4.325 229 1HG2 THR 76 1HG2 THR 76 -5.396 2.971 -4.007 230 2HG2 THR 76 2HG2 THR 76 -4.892 2.033 -5.432 231 3HG2 THR 76 3HG2 THR 76 -3.808 3.270 -4.753 232 H GLY 77 H GLY 77 -5.085 6.553 -6.628 233 1HA GLY 77 1HA GLY 77 -5.088 8.312 -8.316 234 2HA GLY 77 2HA GLY 77 -6.123 7.294 -9.298 235 H LEU 78 H LEU 78 -6.621 7.203 -5.814 236 HA LEU 78 HA LEU 78 -9.265 8.176 -6.100 237 1HB LEU 78 1HB LEU 78 -7.559 7.484 -3.711 238 2HB LEU 78 2HB LEU 78 -9.225 8.015 -3.581 239 HG LEU 78 HG LEU 78 -8.355 5.576 -5.153 240 1HD1 LEU 78 1HD1 LEU 78 -7.824 5.376 -2.730 241 2HD1 LEU 78 2HD1 LEU 78 -9.548 5.640 -2.369 242 3HD1 LEU 78 3HD1 LEU 78 -9.042 4.210 -3.299 243 1HD2 LEU 78 1HD2 LEU 78 -10.420 6.232 -6.011 244 2HD2 LEU 78 2HD2 LEU 78 -10.844 5.017 -4.780 245 3HD2 LEU 78 3HD2 LEU 78 -11.030 6.751 -4.422 246 H GLY 79 H GLY 79 -10.190 10.088 -5.054 247 1HA GLY 79 1HA GLY 79 -8.923 12.459 -5.666 248 2HA GLY 79 2HA GLY 79 -10.241 12.272 -4.526 249 H LEU 80 H LEU 80 -7.713 13.997 -4.507 250 HA LEU 80 HA LEU 80 -5.757 13.199 -2.861 251 1HB LEU 80 1HB LEU 80 -6.333 15.488 -3.975 252 2HB LEU 80 2HB LEU 80 -7.041 15.871 -2.419 253 HG LEU 80 HG LEU 80 -4.229 14.830 -2.518 254 1HD1 LEU 80 1HD1 LEU 80 -3.353 17.092 -2.819 255 2HD1 LEU 80 2HD1 LEU 80 -4.284 16.565 -4.242 256 3HD1 LEU 80 3HD1 LEU 80 -5.003 17.706 -3.081 257 1HD2 LEU 80 1HD2 LEU 80 -5.514 15.185 -0.375 258 2HD2 LEU 80 2HD2 LEU 80 -3.951 16.028 -0.490 259 3HD2 LEU 80 3HD2 LEU 80 -5.468 16.929 -0.730 260 H LYS 81 H LYS 81 -9.042 14.316 -1.837 261 HA LYS 81 HA LYS 81 -8.548 14.140 0.899 262 1HB LYS 81 1HB LYS 81 -10.432 15.351 -0.187 263 2HB LYS 81 2HB LYS 81 -11.178 13.814 -0.572 264 1HG LYS 81 1HG LYS 81 -10.981 13.289 1.981 265 2HG LYS 81 2HG LYS 81 -10.660 14.999 2.181 266 1HD LYS 81 1HD LYS 81 -12.814 15.570 1.105 267 2HD LYS 81 2HD LYS 81 -13.126 13.880 0.768 268 1HE LYS 81 1HE LYS 81 -14.053 13.620 2.822 269 2HE LYS 81 2HE LYS 81 -12.544 14.089 3.580 270 1HZ LYS 81 1HZ LYS 81 -14.333 15.556 4.183 271 2HZ LYS 81 2HZ LYS 81 -13.202 16.384 3.344 272 3HZ LYS 81 3HZ LYS 81 -14.603 15.955 2.623 273 H GLU 82 H GLU 82 -10.427 11.811 -1.171 274 HA GLU 82 HA GLU 82 -10.836 9.915 0.637 275 1HB GLU 82 1HB GLU 82 -10.178 9.702 -2.315 276 2HB GLU 82 2HB GLU 82 -10.547 8.265 -1.382 277 1HG GLU 82 1HG GLU 82 -12.366 10.715 -1.496 278 2HG GLU 82 2HG GLU 82 -12.549 9.325 -2.546 279 H ALA 83 H ALA 83 -7.806 10.344 -1.296 280 HA ALA 83 HA ALA 83 -6.548 8.025 -0.377 281 1HB ALA 83 1HB ALA 83 -5.757 9.118 -2.353 282 2HB ALA 83 2HB ALA 83 -5.541 10.665 -1.496 283 3HB ALA 83 3HB ALA 83 -4.466 9.292 -1.139 284 H LYS 84 H LYS 84 -6.496 11.449 0.799 285 HA LYS 84 HA LYS 84 -4.604 11.075 2.787 286 1HB LYS 84 1HB LYS 84 -5.457 13.253 1.904 287 2HB LYS 84 2HB LYS 84 -6.945 13.002 2.795 288 1HG LYS 84 1HG LYS 84 -5.867 13.176 4.907 289 2HG LYS 84 2HG LYS 84 -4.285 12.826 4.240 290 1HD LYS 84 1HD LYS 84 -4.174 15.007 3.149 291 2HD LYS 84 2HD LYS 84 -5.853 15.343 3.522 292 1HE LYS 84 1HE LYS 84 -5.349 15.386 5.945 293 2HE LYS 84 2HE LYS 84 -3.688 14.920 5.638 294 1HZ LYS 84 1HZ LYS 84 -3.244 16.951 4.667 295 2HZ LYS 84 2HZ LYS 84 -4.813 17.321 4.408 296 3HZ LYS 84 3HZ LYS 84 -4.204 17.361 5.922 297 H ASP 85 H ASP 85 -8.225 10.902 2.979 298 HA ASP 85 HA ASP 85 -8.403 10.372 5.625 299 1HB ASP 85 1HB ASP 85 -10.069 9.162 3.368 300 2HB ASP 85 2HB ASP 85 -10.557 9.203 5.050 301 H LEU 86 H LEU 86 -7.851 8.133 2.834 302 HA LEU 86 HA LEU 86 -8.176 5.734 4.146 303 1HB LEU 86 1HB LEU 86 -8.023 6.027 1.725 304 2HB LEU 86 2HB LEU 86 -6.326 6.437 1.865 305 HG LEU 86 HG LEU 86 -7.132 3.819 3.018 306 1HD1 LEU 86 1HD1 LEU 86 -8.501 3.789 1.032 307 2HD1 LEU 86 2HD1 LEU 86 -7.130 4.322 0.030 308 3HD1 LEU 86 3HD1 LEU 86 -7.100 2.718 0.800 309 1HD2 LEU 86 1HD2 LEU 86 -4.817 4.487 3.089 310 2HD2 LEU 86 2HD2 LEU 86 -4.999 3.122 1.962 311 3HD2 LEU 86 3HD2 LEU 86 -4.803 4.774 1.333 312 H VAL 87 H VAL 87 -5.139 7.663 3.661 313 HA VAL 87 HA VAL 87 -3.487 5.876 5.004 314 HB VAL 87 HB VAL 87 -3.277 8.873 4.643 315 1HG1 VAL 87 1HG1 VAL 87 -1.119 6.835 5.291 316 2HG1 VAL 87 2HG1 VAL 87 -0.858 8.563 4.948 317 3HG1 VAL 87 3HG1 VAL 87 -1.763 8.069 6.400 318 1HG2 VAL 87 1HG2 VAL 87 -3.283 8.193 2.471 319 2HG2 VAL 87 2HG2 VAL 87 -1.573 7.856 2.829 320 3HG2 VAL 87 3HG2 VAL 87 -2.768 6.536 2.867 321 H GLU 88 H GLU 88 -5.499 8.629 6.162 322 HA GLU 88 HA GLU 88 -4.388 8.484 8.761 323 1HB GLU 88 1HB GLU 88 -6.527 10.069 7.379 324 2HB GLU 88 2HB GLU 88 -6.642 9.956 9.124 325 1HG GLU 88 1HG GLU 88 -4.883 11.367 9.432 326 2HG GLU 88 2HG GLU 88 -3.878 10.489 8.296 327 H SER 89 H SER 89 -6.504 6.479 7.068 328 HA SER 89 HA SER 89 -7.961 5.805 9.498 329 1HB SER 89 1HB SER 89 -8.556 5.136 6.580 330 2HB SER 89 2HB SER 89 -9.511 4.569 7.936 331 HG SER 89 HG SER 89 -9.728 6.955 8.495 332 H ALA 90 H ALA 90 -5.089 5.088 8.495 333 HA ALA 90 HA ALA 90 -4.978 2.434 7.742 334 1HB ALA 90 1HB ALA 90 -2.682 2.550 8.817 335 2HB ALA 90 2HB ALA 90 -3.034 3.850 7.652 336 3HB ALA 90 3HB ALA 90 -3.117 4.175 9.401 337 HA PRO 91 HA PRO 91 -3.729 0.841 8.171 338 1HB PRO 91 1HB PRO 91 -4.290 -1.834 8.179 339 2HB PRO 91 2HB PRO 91 -2.933 -1.136 9.044 340 1HG PRO 91 1HG PRO 91 -5.500 -2.134 10.118 341 2HG PRO 91 2HG PRO 91 -3.996 -1.837 10.967 342 1HD PRO 91 1HD PRO 91 -6.337 -0.180 10.995 343 2HD PRO 91 2HD PRO 91 -4.794 0.172 11.747 344 H ALA 92 H ALA 92 -4.129 0.166 5.975 345 HA ALA 92 HA ALA 92 -6.938 -0.248 5.396 346 1HB ALA 92 1HB ALA 92 -6.855 1.670 3.726 347 2HB ALA 92 2HB ALA 92 -6.895 2.152 5.440 348 3HB ALA 92 3HB ALA 92 -5.363 2.205 4.535 349 H ALA 93 H ALA 93 -7.217 -1.475 3.537 350 HA ALA 93 HA ALA 93 -4.894 -2.676 2.433 351 1HB ALA 93 1HB ALA 93 -6.493 -3.938 1.110 352 2HB ALA 93 2HB ALA 93 -7.120 -3.787 2.768 353 3HB ALA 93 3HB ALA 93 -7.781 -2.764 1.470 354 H LEU 94 H LEU 94 -3.670 -2.030 0.725 355 HA LEU 94 HA LEU 94 -4.602 0.295 -0.756 356 1HB LEU 94 1HB LEU 94 -2.001 -0.924 -0.080 357 2HB LEU 94 2HB LEU 94 -2.110 -0.239 -1.690 358 HG LEU 94 HG LEU 94 -2.704 1.244 0.887 359 1HD1 LEU 94 1HD1 LEU 94 -0.608 2.387 0.575 360 2HD1 LEU 94 2HD1 LEU 94 -0.313 0.631 0.590 361 3HD1 LEU 94 3HD1 LEU 94 -0.311 1.521 -0.951 362 1HD2 LEU 94 1HD2 LEU 94 -3.363 1.830 -1.857 363 2HD2 LEU 94 2HD2 LEU 94 -3.759 2.732 -0.374 364 3HD2 LEU 94 3HD2 LEU 94 -2.225 3.043 -1.222 365 H LYS 95 H LYS 95 -3.701 -3.159 -1.174 366 HA LYS 95 HA LYS 95 -5.179 -3.127 -3.670 367 1HB LYS 95 1HB LYS 95 -2.564 -4.530 -3.820 368 2HB LYS 95 2HB LYS 95 -3.484 -3.718 -5.071 369 1HG LYS 95 1HG LYS 95 -2.840 -1.504 -4.143 370 2HG LYS 95 2HG LYS 95 -1.974 -2.283 -2.835 371 1HD LYS 95 1HD LYS 95 -0.159 -2.106 -4.215 372 2HD LYS 95 2HD LYS 95 -0.815 -3.532 -4.994 373 1HE LYS 95 1HE LYS 95 -1.682 -0.738 -5.840 374 2HE LYS 95 2HE LYS 95 -0.234 -1.477 -6.496 375 1HZ LYS 95 1HZ LYS 95 -1.921 -2.073 -7.933 376 2HZ LYS 95 2HZ LYS 95 -1.740 -3.416 -7.021 377 3HZ LYS 95 3HZ LYS 95 -2.993 -2.406 -6.748 378 H GLU 96 H GLU 96 -6.001 -5.220 -4.250 379 HA GLU 96 HA GLU 96 -5.681 -7.152 -2.086 380 1HB GLU 96 1HB GLU 96 -8.218 -6.486 -3.645 381 2HB GLU 96 2HB GLU 96 -8.076 -7.804 -2.498 382 1HG GLU 96 1HG GLU 96 -7.398 -6.100 -0.728 383 2HG GLU 96 2HG GLU 96 -7.740 -4.831 -1.886 384 H GLY 97 H GLY 97 -5.091 -9.208 -2.710 385 1HA GLY 97 1HA GLY 97 -4.258 -10.772 -4.122 386 2HA GLY 97 2HA GLY 97 -5.868 -10.687 -4.810 387 H VAL 98 H VAL 98 -2.584 -9.182 -4.972 388 HA VAL 98 HA VAL 98 -3.094 -8.745 -7.831 389 HB VAL 98 HB VAL 98 -1.611 -6.779 -7.663 390 1HG1 VAL 98 1HG1 VAL 98 -3.267 -5.276 -6.847 391 2HG1 VAL 98 2HG1 VAL 98 -4.143 -6.674 -7.518 392 3HG1 VAL 98 3HG1 VAL 98 -3.950 -6.506 -5.756 393 1HG2 VAL 98 1HG2 VAL 98 -0.508 -7.612 -5.505 394 2HG2 VAL 98 2HG2 VAL 98 -0.871 -5.873 -5.612 395 3HG2 VAL 98 3HG2 VAL 98 -1.925 -6.944 -4.659 396 H SER 99 H SER 99 -0.897 -8.569 -9.058 397 HA SER 99 HA SER 99 0.378 -10.982 -8.734 398 1HB SER 99 1HB SER 99 1.984 -10.135 -10.415 399 2HB SER 99 2HB SER 99 0.336 -9.738 -10.859 400 HG SER 99 HG SER 99 0.669 -7.601 -10.440 401 H LYS 100 H LYS 100 2.389 -11.604 -7.801 402 HA LYS 100 HA LYS 100 3.132 -10.309 -5.476 403 1HB LYS 100 1HB LYS 100 3.524 -12.714 -6.111 404 2HB LYS 100 2HB LYS 100 4.844 -12.183 -7.132 405 1HG LYS 100 1HG LYS 100 5.900 -11.072 -5.115 406 2HG LYS 100 2HG LYS 100 4.618 -11.731 -4.119 407 1HD LYS 100 1HD LYS 100 5.277 -14.048 -4.811 408 2HD LYS 100 2HD LYS 100 6.565 -13.384 -5.796 409 1HE LYS 100 1HE LYS 100 7.653 -12.417 -3.795 410 2HE LYS 100 2HE LYS 100 6.321 -12.938 -2.782 411 1HZ LYS 100 1HZ LYS 100 6.854 -15.226 -3.477 412 2HZ LYS 100 2HZ LYS 100 8.184 -14.672 -4.245 413 3HZ LYS 100 3HZ LYS 100 8.052 -14.513 -2.625 414 H ASP 101 H ASP 101 4.457 -10.084 -8.820 415 HA ASP 101 HA ASP 101 6.732 -8.720 -8.227 416 1HB ASP 101 1HB ASP 101 4.862 -8.422 -10.623 417 2HB ASP 101 2HB ASP 101 6.483 -7.760 -10.575 418 H ASP 102 H ASP 102 3.336 -7.595 -8.646 419 HA ASP 102 HA ASP 102 4.002 -4.866 -8.680 420 1HB ASP 102 1HB ASP 102 1.459 -6.471 -8.301 421 2HB ASP 102 2HB ASP 102 1.430 -4.742 -8.011 422 H ALA 103 H ALA 103 3.192 -7.329 -6.217 423 HA ALA 103 HA ALA 103 2.525 -5.570 -4.131 424 1HB ALA 103 1HB ALA 103 3.686 -8.381 -4.002 425 2HB ALA 103 2HB ALA 103 2.759 -7.552 -2.730 426 3HB ALA 103 3HB ALA 103 1.966 -8.003 -4.257 427 H GLU 104 H GLU 104 5.611 -7.216 -5.082 428 HA GLU 104 HA GLU 104 7.013 -6.135 -2.908 429 1HB GLU 104 1HB GLU 104 7.556 -8.224 -4.353 430 2HB GLU 104 2HB GLU 104 8.261 -7.105 -5.504 431 1HG GLU 104 1HG GLU 104 9.636 -6.167 -3.506 432 2HG GLU 104 2HG GLU 104 9.111 -7.582 -2.617 433 H ALA 105 H ALA 105 6.287 -5.046 -6.212 434 HA ALA 105 HA ALA 105 8.312 -3.122 -6.429 435 1HB ALA 105 1HB ALA 105 6.774 -2.180 -8.187 436 2HB ALA 105 2HB ALA 105 7.089 -3.923 -8.363 437 3HB ALA 105 3HB ALA 105 5.545 -3.361 -7.675 438 H LEU 106 H LEU 106 4.888 -2.955 -5.251 439 HA LEU 106 HA LEU 106 5.028 -0.187 -4.713 440 1HB LEU 106 1HB LEU 106 2.941 -1.284 -5.175 441 2HB LEU 106 2HB LEU 106 3.142 -2.362 -3.809 442 HG LEU 106 HG LEU 106 1.498 -0.568 -3.402 443 1HD1 LEU 106 1HD1 LEU 106 3.214 -1.625 -1.649 444 2HD1 LEU 106 2HD1 LEU 106 3.689 0.084 -1.498 445 3HD1 LEU 106 3HD1 LEU 106 2.003 -0.401 -1.196 446 1HD2 LEU 106 1HD2 LEU 106 3.812 1.377 -3.404 447 2HD2 LEU 106 2HD2 LEU 106 2.722 1.150 -4.792 448 3HD2 LEU 106 3HD2 LEU 106 2.075 1.725 -3.236 449 H LYS 107 H LYS 107 5.512 -3.172 -2.750 450 HA LYS 107 HA LYS 107 5.691 -1.979 -0.276 451 1HB LYS 107 1HB LYS 107 5.540 -4.388 -0.615 452 2HB LYS 107 2HB LYS 107 7.122 -4.420 -1.368 453 1HG LYS 107 1HG LYS 107 8.029 -3.384 0.828 454 2HG LYS 107 2HG LYS 107 6.465 -3.748 1.531 455 1HD LYS 107 1HD LYS 107 6.794 -6.175 0.782 456 2HD LYS 107 2HD LYS 107 8.430 -5.748 0.325 457 1HE LYS 107 1HE LYS 107 8.850 -4.965 2.692 458 2HE LYS 107 2HE LYS 107 7.240 -5.498 3.129 459 1HZ LYS 107 1HZ LYS 107 8.829 -7.188 3.614 460 2HZ LYS 107 2HZ LYS 107 7.872 -7.722 2.403 461 3HZ LYS 107 3HZ LYS 107 9.388 -7.207 2.079 462 H LYS 108 H LYS 108 8.298 -2.578 -2.723 463 HA LYS 108 HA LYS 108 10.384 -1.629 -1.181 464 1HB LYS 108 1HB LYS 108 11.627 -2.028 -3.018 465 2HB LYS 108 2HB LYS 108 10.165 -2.797 -3.601 466 1HG LYS 108 1HG LYS 108 10.695 -1.358 -5.384 467 2HG LYS 108 2HG LYS 108 9.521 -0.409 -4.495 468 1HD LYS 108 1HD LYS 108 11.054 1.236 -4.222 469 2HD LYS 108 2HD LYS 108 12.073 0.140 -3.312 470 1HE LYS 108 1HE LYS 108 13.416 0.903 -5.157 471 2HE LYS 108 2HE LYS 108 12.962 -0.745 -5.549 472 1HZ LYS 108 1HZ LYS 108 11.387 1.546 -6.470 473 2HZ LYS 108 2HZ LYS 108 12.650 0.966 -7.325 474 3HZ LYS 108 3HZ LYS 108 11.356 0.014 -7.033 475 H ALA 109 H ALA 109 7.957 0.091 -3.177 476 HA ALA 109 HA ALA 109 9.291 2.558 -3.215 477 1HB ALA 109 1HB ALA 109 7.254 3.391 -4.113 478 2HB ALA 109 2HB ALA 109 7.338 1.697 -4.654 479 3HB ALA 109 3HB ALA 109 6.287 2.145 -3.290 480 H LEU 110 H LEU 110 6.851 1.099 -0.982 481 HA LEU 110 HA LEU 110 6.552 3.398 0.598 482 1HB LEU 110 1HB LEU 110 5.937 0.488 0.883 483 2HB LEU 110 2HB LEU 110 5.844 1.513 2.299 484 HG LEU 110 HG LEU 110 3.733 1.055 0.803 485 1HD1 LEU 110 1HD1 LEU 110 3.821 2.465 2.828 486 2HD1 LEU 110 2HD1 LEU 110 4.350 3.840 1.829 487 3HD1 LEU 110 3HD1 LEU 110 2.739 3.124 1.578 488 1HD2 LEU 110 1HD2 LEU 110 3.322 2.598 -0.954 489 2HD2 LEU 110 2HD2 LEU 110 4.807 3.512 -0.597 490 3HD2 LEU 110 3HD2 LEU 110 4.914 1.868 -1.272 491 H GLU 111 H GLU 111 8.778 0.567 0.755 492 HA GLU 111 HA GLU 111 9.825 1.209 3.238 493 1HB GLU 111 1HB GLU 111 10.885 -0.398 0.888 494 2HB GLU 111 2HB GLU 111 11.814 -0.222 2.363 495 1HG GLU 111 1HG GLU 111 9.941 -1.179 3.688 496 2HG GLU 111 2HG GLU 111 8.954 -1.293 2.245 497 H GLU 112 H GLU 112 10.751 2.159 -0.111 498 HA GLU 112 HA GLU 112 13.128 3.380 0.482 499 1HB GLU 112 1HB GLU 112 11.024 3.820 -1.647 500 2HB GLU 112 2HB GLU 112 12.410 4.889 -1.568 501 1HG GLU 112 1HG GLU 112 12.888 1.905 -1.478 502 2HG GLU 112 2HG GLU 112 12.479 2.638 -3.016 503 H ALA 113 H ALA 113 9.760 4.507 0.895 504 HA ALA 113 HA ALA 113 10.570 7.198 1.487 505 1HB ALA 113 1HB ALA 113 8.107 7.396 2.064 506 2HB ALA 113 2HB ALA 113 8.449 6.855 0.404 507 3HB ALA 113 3HB ALA 113 7.941 5.677 1.637 508 H GLY 114 H GLY 114 9.924 4.157 3.214 509 1HA GLY 114 1HA GLY 114 10.965 3.814 5.320 510 2HA GLY 114 2HA GLY 114 10.734 5.508 5.706 511 H ALA 115 H ALA 115 8.106 3.842 4.050 512 HA ALA 115 HA ALA 115 6.505 4.120 6.464 513 1HB ALA 115 1HB ALA 115 4.616 3.784 4.892 514 2HB ALA 115 2HB ALA 115 5.685 5.106 4.366 515 3HB ALA 115 3HB ALA 115 5.776 3.517 3.568 516 H GLU 116 H GLU 116 5.068 2.340 7.154 517 HA GLU 116 HA GLU 116 6.470 -0.169 6.810 518 1HB GLU 116 1HB GLU 116 5.999 0.726 9.115 519 2HB GLU 116 2HB GLU 116 4.281 0.585 8.797 520 1HG GLU 116 1HG GLU 116 4.438 -1.834 8.561 521 2HG GLU 116 2HG GLU 116 6.189 -1.783 8.562 522 H VAL 117 H VAL 117 5.682 -1.733 5.467 523 HA VAL 117 HA VAL 117 2.868 -1.470 4.668 524 HB VAL 117 HB VAL 117 5.387 -2.117 3.229 525 1HG1 VAL 117 1HG1 VAL 117 2.713 -3.316 2.427 526 2HG1 VAL 117 2HG1 VAL 117 4.213 -3.357 1.470 527 3HG1 VAL 117 3HG1 VAL 117 4.125 -4.221 3.024 528 1HG2 VAL 117 1HG2 VAL 117 4.303 0.060 2.955 529 2HG2 VAL 117 2HG2 VAL 117 4.272 -0.858 1.430 530 3HG2 VAL 117 3HG2 VAL 117 2.802 -0.739 2.426 531 H GLU 118 H GLU 118 1.769 -3.584 4.145 532 HA GLU 118 HA GLU 118 2.921 -5.748 5.717 533 1HB GLU 118 1HB GLU 118 1.210 -4.819 7.139 534 2HB GLU 118 2HB GLU 118 0.073 -4.688 5.813 535 1HG GLU 118 1HG GLU 118 -0.186 -7.091 5.664 536 2HG GLU 118 2HG GLU 118 1.199 -7.376 6.701 537 H VAL 119 H VAL 119 2.849 -7.761 4.727 538 HA VAL 119 HA VAL 119 1.446 -7.825 2.147 539 HB VAL 119 HB VAL 119 3.914 -9.275 3.121 540 1HG1 VAL 119 1HG1 VAL 119 2.393 -9.507 0.506 541 2HG1 VAL 119 2HG1 VAL 119 4.047 -10.112 0.755 542 3HG1 VAL 119 3HG1 VAL 119 2.700 -10.787 1.702 543 1HG2 VAL 119 1HG2 VAL 119 3.958 -7.560 0.694 544 2HG2 VAL 119 2HG2 VAL 119 3.791 -6.719 2.253 545 3HG2 VAL 119 3HG2 VAL 119 5.183 -7.790 1.964 546 H LYS 120 H LYS 120 -0.294 -9.141 2.000 547 HA LYS 120 HA LYS 120 -0.404 -11.400 3.869 548 1HB LYS 120 1HB LYS 120 -2.167 -9.092 3.737 549 2HB LYS 120 2HB LYS 120 -3.052 -10.574 3.437 550 1HG LYS 120 1HG LYS 120 -1.974 -11.572 5.510 551 2HG LYS 120 2HG LYS 120 -1.240 -10.013 5.831 552 1HD LYS 120 1HD LYS 120 -3.989 -9.456 5.369 553 2HD LYS 120 2HD LYS 120 -3.975 -10.903 6.358 554 1HE LYS 120 1HE LYS 120 -2.403 -9.741 7.966 555 2HE LYS 120 2HE LYS 120 -2.533 -8.286 7.000 556 1HZ LYS 120 1HZ LYS 120 -4.924 -9.615 8.033 557 2HZ LYS 120 2HZ LYS 120 -4.087 -8.556 8.952 558 3HZ LYS 120 3HZ LYS 120 -4.754 -8.065 7.544 Start of MODEL 11 1 1H ALA 47 H ALA 47 -2.472 -31.799 -4.970 2 HA ALA 47 HA ALA 47 -4.210 -29.826 -4.304 3 1HB ALA 47 1HB ALA 47 -3.005 -28.642 -2.472 4 2HB ALA 47 2HB ALA 47 -3.677 -30.204 -1.945 5 3HB ALA 47 3HB ALA 47 -1.937 -30.053 -2.290 6 H ALA 48 H ALA 48 -3.760 -28.358 -5.867 7 HA ALA 48 HA ALA 48 -1.055 -27.531 -6.324 8 1HB ALA 48 1HB ALA 48 -2.564 -29.073 -8.475 9 2HB ALA 48 2HB ALA 48 -1.026 -28.210 -8.708 10 3HB ALA 48 3HB ALA 48 -1.100 -29.620 -7.625 11 H GLU 49 H GLU 49 -1.902 -25.479 -5.728 12 HA GLU 49 HA GLU 49 -3.758 -24.422 -7.715 13 1HB GLU 49 1HB GLU 49 -3.540 -23.759 -4.748 14 2HB GLU 49 2HB GLU 49 -4.494 -22.819 -5.878 15 1HG GLU 49 1HG GLU 49 -5.781 -24.908 -6.476 16 2HG GLU 49 2HG GLU 49 -4.866 -25.791 -5.271 17 H GLU 50 H GLU 50 -3.578 -21.869 -7.789 18 HA GLU 50 HA GLU 50 -0.753 -21.356 -8.098 19 1HB GLU 50 1HB GLU 50 -3.271 -20.323 -9.313 20 2HB GLU 50 2HB GLU 50 -2.005 -19.129 -9.104 21 1HG GLU 50 1HG GLU 50 -0.398 -20.600 -10.317 22 2HG GLU 50 2HG GLU 50 -1.639 -21.823 -10.499 23 H LYS 51 H LYS 51 0.189 -19.268 -7.356 24 HA LYS 51 HA LYS 51 -1.321 -18.061 -5.157 25 1HB LYS 51 1HB LYS 51 1.340 -19.420 -5.031 26 2HB LYS 51 2HB LYS 51 1.115 -17.967 -4.077 27 1HG LYS 51 1HG LYS 51 0.268 -19.458 -2.538 28 2HG LYS 51 2HG LYS 51 -1.209 -19.217 -3.447 29 1HD LYS 51 1HD LYS 51 -0.393 -21.196 -4.946 30 2HD LYS 51 2HD LYS 51 0.764 -21.521 -3.671 31 1HE LYS 51 1HE LYS 51 -1.155 -22.896 -3.195 32 2HE LYS 51 2HE LYS 51 -1.190 -21.592 -2.025 33 1HZ LYS 51 1HZ LYS 51 -2.667 -21.479 -4.559 34 2HZ LYS 51 2HZ LYS 51 -3.317 -22.055 -3.175 35 3HZ LYS 51 3HZ LYS 51 -2.837 -20.497 -3.265 36 H THR 52 H THR 52 -1.730 -16.580 -7.086 37 HA THR 52 HA THR 52 0.497 -14.659 -7.235 38 HB THR 52 HB THR 52 -0.338 -14.274 -9.632 39 HG1 THR 52 1HG THR 52 -2.414 -15.308 -9.347 40 1HG2 THR 52 1HG2 THR 52 0.540 -17.140 -8.992 41 2HG2 THR 52 2HG2 THR 52 0.645 -16.351 -10.583 42 3HG2 THR 52 3HG2 THR 52 1.648 -15.768 -9.232 43 H GLU 53 H GLU 53 -1.641 -14.733 -5.283 44 HA GLU 53 HA GLU 53 -2.925 -12.255 -6.102 45 1HB GLU 53 1HB GLU 53 -4.257 -14.641 -4.756 46 2HB GLU 53 2HB GLU 53 -4.982 -13.046 -4.802 47 1HG GLU 53 1HG GLU 53 -4.791 -13.092 -7.335 48 2HG GLU 53 2HG GLU 53 -4.213 -14.744 -7.221 49 H PHE 54 H PHE 54 -1.394 -11.047 -4.871 50 HA PHE 54 HA PHE 54 -1.402 -11.632 -2.000 51 1HB PHE 54 1HB PHE 54 0.435 -10.142 -3.955 52 2HB PHE 54 2HB PHE 54 0.628 -9.953 -2.224 53 HD1 PHE 54 1HD PHE 54 1.797 -11.560 -0.956 54 HD2 PHE 54 2HD PHE 54 0.693 -12.455 -4.955 55 HE1 PHE 54 1HE PHE 54 3.235 -13.617 -0.894 56 HE2 PHE 54 2HE PHE 54 2.130 -14.513 -4.891 57 HZ PHE 54 HZ PHE 54 3.384 -15.069 -2.862 58 H ASP 55 H ASP 55 -1.840 -9.970 -0.476 59 HA ASP 55 HA ASP 55 -3.196 -7.698 -1.693 60 1HB ASP 55 1HB ASP 55 -3.509 -9.104 0.991 61 2HB ASP 55 2HB ASP 55 -4.209 -7.523 0.701 62 H VAL 56 H VAL 56 -2.392 -5.617 -1.215 63 HA VAL 56 HA VAL 56 -0.111 -5.542 0.628 64 HB VAL 56 HB VAL 56 -0.868 -3.822 -1.739 65 1HG1 VAL 56 1HG1 VAL 56 1.434 -3.547 0.217 66 2HG1 VAL 56 2HG1 VAL 56 1.341 -2.708 -1.350 67 3HG1 VAL 56 3HG1 VAL 56 0.128 -2.378 -0.091 68 1HG2 VAL 56 1HG2 VAL 56 1.763 -4.992 -1.850 69 2HG2 VAL 56 2HG2 VAL 56 0.553 -6.264 -1.554 70 3HG2 VAL 56 3HG2 VAL 56 0.392 -5.193 -2.967 71 H ILE 57 H ILE 57 -0.637 -4.804 2.617 72 HA ILE 57 HA ILE 57 -2.750 -2.773 2.756 73 HB ILE 57 HB ILE 57 -1.868 -4.972 4.575 74 1HG1 ILE 57 1HG1 ILE 57 -4.683 -4.028 4.162 75 2HG1 ILE 57 2HG1 ILE 57 -3.886 -4.894 2.865 76 1HG2 ILE 57 1HG2 ILE 57 -1.662 -3.058 6.014 77 2HG2 ILE 57 2HG2 ILE 57 -3.232 -2.422 5.471 78 3HG2 ILE 57 3HG2 ILE 57 -3.163 -3.925 6.420 79 1HD1 ILE 57 1HD1 ILE 57 -3.435 -6.806 4.323 80 2HD1 ILE 57 2HD1 ILE 57 -4.046 -5.913 5.736 81 3HD1 ILE 57 3HD1 ILE 57 -5.162 -6.394 4.436 82 H LEU 58 H LEU 58 -2.401 -0.858 3.986 83 HA LEU 58 HA LEU 58 0.443 -0.318 4.448 84 1HB LEU 58 1HB LEU 58 -0.336 1.195 2.872 85 2HB LEU 58 2HB LEU 58 -1.893 1.380 3.654 86 HG LEU 58 HG LEU 58 -0.669 2.538 5.564 87 1HD1 LEU 58 1HD1 LEU 58 1.591 1.627 4.828 88 2HD1 LEU 58 2HD1 LEU 58 1.567 2.880 3.563 89 3HD1 LEU 58 3HD1 LEU 58 1.525 3.347 5.280 90 1HD2 LEU 58 1HD2 LEU 58 -2.024 3.757 3.956 91 2HD2 LEU 58 2HD2 LEU 58 -0.566 4.688 4.375 92 3HD2 LEU 58 3HD2 LEU 58 -0.655 3.826 2.820 93 H LYS 59 H LYS 59 1.128 -0.379 6.514 94 HA LYS 59 HA LYS 59 -0.903 -0.448 8.580 95 1HB LYS 59 1HB LYS 59 1.954 -1.297 8.329 96 2HB LYS 59 2HB LYS 59 1.350 -0.913 9.928 97 1HG LYS 59 1HG LYS 59 -0.334 -2.688 8.157 98 2HG LYS 59 2HG LYS 59 1.097 -3.377 8.897 99 1HD LYS 59 1HD LYS 59 0.296 -2.724 11.146 100 2HD LYS 59 2HD LYS 59 -1.091 -1.912 10.448 101 1HE LYS 59 1HE LYS 59 -1.913 -4.075 9.519 102 2HE LYS 59 2HE LYS 59 -0.507 -4.900 10.165 103 1HZ LYS 59 1HZ LYS 59 -1.404 -3.710 12.334 104 2HZ LYS 59 2HZ LYS 59 -2.822 -3.904 11.547 105 3HZ LYS 59 3HZ LYS 59 -1.889 -5.202 11.878 106 H ALA 60 H ALA 60 2.256 1.266 8.010 107 HA ALA 60 HA ALA 60 1.056 3.610 9.284 108 1HB ALA 60 1HB ALA 60 3.824 2.554 9.970 109 2HB ALA 60 2HB ALA 60 2.952 3.904 10.736 110 3HB ALA 60 3HB ALA 60 2.377 2.233 10.958 111 H ALA 61 H ALA 61 1.367 5.396 8.045 112 HA ALA 61 HA ALA 61 2.853 5.229 5.656 113 1HB ALA 61 1HB ALA 61 2.310 7.680 5.541 114 2HB ALA 61 2HB ALA 61 0.893 6.648 5.851 115 3HB ALA 61 3HB ALA 61 1.636 7.563 7.184 116 H GLY 62 H GLY 62 3.627 6.075 8.987 117 1HA GLY 62 1HA GLY 62 5.648 6.457 9.933 118 2HA GLY 62 2HA GLY 62 6.415 6.274 8.369 119 H ALA 63 H ALA 63 7.797 8.117 8.761 120 HA ALA 63 HA ALA 63 6.459 10.664 9.182 121 1HB ALA 63 1HB ALA 63 9.411 9.920 9.063 122 2HB ALA 63 2HB ALA 63 8.742 11.491 9.566 123 3HB ALA 63 3HB ALA 63 8.433 10.038 10.546 124 H ASN 64 H ASN 64 5.857 9.379 6.702 125 HA ASN 64 HA ASN 64 6.893 11.402 4.959 126 1HB ASN 64 1HB ASN 64 8.338 9.121 4.922 127 2HB ASN 64 2HB ASN 64 7.026 8.567 3.899 128 1HD2 ASN 64 1HD2 ASN 64 9.890 9.189 3.388 129 2HD2 ASN 64 2HD2 ASN 64 9.921 10.297 2.059 130 H LYS 65 H LYS 65 4.350 11.410 5.826 131 HA LYS 65 HA LYS 65 2.571 9.621 4.625 132 1HB LYS 65 1HB LYS 65 2.405 11.549 6.538 133 2HB LYS 65 2HB LYS 65 1.620 12.368 5.204 134 1HG LYS 65 1HG LYS 65 0.059 10.477 4.901 135 2HG LYS 65 2HG LYS 65 0.894 9.550 6.131 136 1HD LYS 65 1HD LYS 65 -0.901 10.447 7.353 137 2HD LYS 65 2HD LYS 65 0.373 11.597 7.705 138 1HE LYS 65 1HE LYS 65 -0.480 13.010 5.747 139 2HE LYS 65 2HE LYS 65 -1.842 11.913 5.628 140 1HZ LYS 65 1HZ LYS 65 -2.293 12.425 7.984 141 2HZ LYS 65 2HZ LYS 65 -1.130 13.570 7.943 142 3HZ LYS 65 3HZ LYS 65 -2.452 13.716 6.994 143 H VAL 66 H VAL 66 4.357 12.389 3.403 144 HA VAL 66 HA VAL 66 2.597 13.071 1.315 145 HB VAL 66 HB VAL 66 5.554 13.471 1.771 146 1HG1 VAL 66 1HG1 VAL 66 3.791 14.525 -0.460 147 2HG1 VAL 66 2HG1 VAL 66 5.362 15.236 -0.024 148 3HG1 VAL 66 3HG1 VAL 66 5.277 13.556 -0.605 149 1HG2 VAL 66 1HG2 VAL 66 4.063 14.609 3.358 150 2HG2 VAL 66 2HG2 VAL 66 4.897 15.774 2.302 151 3HG2 VAL 66 3HG2 VAL 66 3.191 15.365 2.002 152 H ALA 67 H ALA 67 5.732 11.221 1.249 153 HA ALA 67 HA ALA 67 5.539 10.455 -1.394 154 1HB ALA 67 1HB ALA 67 7.185 8.718 -0.749 155 2HB ALA 67 2HB ALA 67 7.576 10.297 -0.026 156 3HB ALA 67 3HB ALA 67 6.825 9.024 0.968 157 H VAL 68 H VAL 68 4.258 8.902 1.601 158 HA VAL 68 HA VAL 68 3.439 6.524 0.447 159 HB VAL 68 HB VAL 68 2.431 8.147 2.780 160 1HG1 VAL 68 1HG1 VAL 68 1.319 5.974 3.500 161 2HG1 VAL 68 2HG1 VAL 68 0.533 6.856 2.167 162 3HG1 VAL 68 3HG1 VAL 68 1.526 5.420 1.821 163 1HG2 VAL 68 1HG2 VAL 68 3.809 5.493 2.993 164 2HG2 VAL 68 2HG2 VAL 68 4.778 6.936 2.604 165 3HG2 VAL 68 3HG2 VAL 68 3.824 6.883 4.106 166 H ILE 69 H ILE 69 1.464 9.515 1.085 167 HA ILE 69 HA ILE 69 -0.852 8.617 -0.060 168 HB ILE 69 HB ILE 69 0.361 11.326 0.338 169 1HG1 ILE 69 1HG1 ILE 69 -2.153 10.095 1.491 170 2HG1 ILE 69 2HG1 ILE 69 -0.573 9.911 2.224 171 1HG2 ILE 69 1HG2 ILE 69 -1.822 12.319 -0.349 172 2HG2 ILE 69 2HG2 ILE 69 -0.876 11.634 -1.692 173 3HG2 ILE 69 3HG2 ILE 69 -2.271 10.742 -1.040 174 1HD1 ILE 69 1HD1 ILE 69 -2.189 12.449 1.840 175 2HD1 ILE 69 2HD1 ILE 69 -1.473 11.797 3.334 176 3HD1 ILE 69 3HD1 ILE 69 -0.427 12.523 2.090 177 H LYS 70 H LYS 70 2.106 9.900 -1.599 178 HA LYS 70 HA LYS 70 0.952 10.259 -4.145 179 1HB LYS 70 1HB LYS 70 3.773 10.034 -3.102 180 2HB LYS 70 2HB LYS 70 3.454 10.128 -4.821 181 1HG LYS 70 1HG LYS 70 2.240 12.260 -4.525 182 2HG LYS 70 2HG LYS 70 2.405 12.148 -2.785 183 1HD LYS 70 1HD LYS 70 4.193 13.565 -3.301 184 2HD LYS 70 2HD LYS 70 4.999 12.009 -3.294 185 1HE LYS 70 1HE LYS 70 5.750 12.918 -5.328 186 2HE LYS 70 2HE LYS 70 4.395 11.942 -5.860 187 1HZ LYS 70 1HZ LYS 70 4.004 13.964 -6.823 188 2HZ LYS 70 2HZ LYS 70 3.076 14.081 -5.483 189 3HZ LYS 70 3HZ LYS 70 4.524 14.834 -5.542 190 H ALA 71 H ALA 71 2.940 7.587 -2.697 191 HA ALA 71 HA ALA 71 2.964 5.960 -4.924 192 1HB ALA 71 1HB ALA 71 3.389 4.145 -3.260 193 2HB ALA 71 2HB ALA 71 4.369 5.601 -2.958 194 3HB ALA 71 3HB ALA 71 2.935 5.271 -1.957 195 H VAL 72 H VAL 72 0.517 6.299 -2.294 196 HA VAL 72 HA VAL 72 -1.070 4.147 -3.182 197 HB VAL 72 HB VAL 72 -1.613 6.561 -1.452 198 1HG1 VAL 72 1HG1 VAL 72 -3.391 4.188 -2.077 199 2HG1 VAL 72 2HG1 VAL 72 -3.620 5.241 -0.661 200 3HG1 VAL 72 3HG1 VAL 72 -3.749 5.917 -2.302 201 1HG2 VAL 72 1HG2 VAL 72 -1.027 3.652 -0.819 202 2HG2 VAL 72 2HG2 VAL 72 0.015 5.056 -0.490 203 3HG2 VAL 72 3HG2 VAL 72 -1.526 4.867 0.381 204 H ARG 73 H ARG 73 -0.915 7.645 -3.949 205 HA ARG 73 HA ARG 73 -3.345 7.841 -5.195 206 1HB ARG 73 1HB ARG 73 -0.936 9.421 -4.925 207 2HB ARG 73 2HB ARG 73 -1.428 9.479 -6.605 208 1HG ARG 73 1HG ARG 73 -3.392 9.967 -4.326 209 2HG ARG 73 2HG ARG 73 -2.444 11.261 -5.028 210 1HD ARG 73 1HD ARG 73 -3.384 10.545 -7.323 211 2HD ARG 73 2HD ARG 73 -4.487 9.499 -6.453 212 HE ARG 73 HE ARG 73 -5.640 11.405 -5.610 213 1HH1 ARG 73 2HH2 ARG 73 -2.585 12.476 -6.942 214 2HH1 ARG 73 1HH2 ARG 73 -3.153 14.065 -7.334 215 1HH2 ARG 73 2HH1 ARG 73 -6.453 13.471 -6.263 216 2HH2 ARG 73 1HH1 ARG 73 -5.334 14.673 -6.811 217 H GLY 74 H GLY 74 -0.073 7.022 -6.536 218 1HA GLY 74 1HA GLY 74 -0.903 6.732 -9.219 219 2HA GLY 74 2HA GLY 74 0.560 6.103 -8.489 220 H ALA 75 H ALA 75 -0.760 4.500 -6.395 221 HA ALA 75 HA ALA 75 -1.018 2.142 -7.906 222 1HB ALA 75 1HB ALA 75 -1.578 1.154 -5.678 223 2HB ALA 75 2HB ALA 75 -0.114 2.165 -5.641 224 3HB ALA 75 3HB ALA 75 -1.649 2.797 -5.000 225 H THR 76 H THR 76 -3.332 4.503 -6.545 226 HA THR 76 HA THR 76 -5.506 2.879 -7.698 227 HB THR 76 HB THR 76 -6.902 3.751 -5.841 228 HG1 THR 76 1HG THR 76 -4.479 4.822 -4.691 229 1HG2 THR 76 1HG2 THR 76 -4.185 2.758 -4.829 230 2HG2 THR 76 2HG2 THR 76 -5.675 2.826 -3.858 231 3HG2 THR 76 3HG2 THR 76 -5.570 1.724 -5.253 232 H GLY 77 H GLY 77 -5.267 6.266 -6.459 233 1HA GLY 77 1HA GLY 77 -5.097 8.063 -8.108 234 2HA GLY 77 2HA GLY 77 -6.173 7.140 -9.138 235 H LEU 78 H LEU 78 -6.723 7.050 -5.651 236 HA LEU 78 HA LEU 78 -9.313 8.150 -5.969 237 1HB LEU 78 1HB LEU 78 -7.675 7.391 -3.551 238 2HB LEU 78 2HB LEU 78 -9.323 7.980 -3.456 239 HG LEU 78 HG LEU 78 -8.604 5.557 -5.108 240 1HD1 LEU 78 1HD1 LEU 78 -7.782 5.052 -2.907 241 2HD1 LEU 78 2HD1 LEU 78 -9.282 5.645 -2.156 242 3HD1 LEU 78 3HD1 LEU 78 -9.310 4.175 -3.160 243 1HD2 LEU 78 1HD2 LEU 78 -10.992 4.986 -4.682 244 2HD2 LEU 78 2HD2 LEU 78 -11.186 6.570 -3.891 245 3HD2 LEU 78 3HD2 LEU 78 -10.760 6.482 -5.617 246 H GLY 79 H GLY 79 -10.157 10.102 -4.928 247 1HA GLY 79 1HA GLY 79 -8.769 12.406 -5.542 248 2HA GLY 79 2HA GLY 79 -10.110 12.292 -4.421 249 H LEU 80 H LEU 80 -7.505 13.896 -4.374 250 HA LEU 80 HA LEU 80 -5.625 13.022 -2.674 251 1HB LEU 80 1HB LEU 80 -6.150 15.349 -3.822 252 2HB LEU 80 2HB LEU 80 -6.733 15.754 -2.219 253 HG LEU 80 HG LEU 80 -3.947 14.728 -2.824 254 1HD1 LEU 80 1HD1 LEU 80 -5.092 17.486 -2.728 255 2HD1 LEU 80 2HD1 LEU 80 -3.455 17.218 -2.082 256 3HD1 LEU 80 3HD1 LEU 80 -3.823 16.802 -3.773 257 1HD2 LEU 80 1HD2 LEU 80 -5.254 15.727 -0.289 258 2HD2 LEU 80 2HD2 LEU 80 -4.487 14.149 -0.592 259 3HD2 LEU 80 3HD2 LEU 80 -3.490 15.622 -0.503 260 H LYS 81 H LYS 81 -8.889 14.282 -1.759 261 HA LYS 81 HA LYS 81 -8.478 14.166 0.992 262 1HB LYS 81 1HB LYS 81 -10.286 15.439 0.049 263 2HB LYS 81 2HB LYS 81 -10.986 14.016 -0.698 264 1HG LYS 81 1HG LYS 81 -11.543 13.049 1.467 265 2HG LYS 81 2HG LYS 81 -10.603 14.257 2.319 266 1HD LYS 81 1HD LYS 81 -12.665 15.426 0.537 267 2HD LYS 81 2HD LYS 81 -13.338 14.409 1.794 268 1HE LYS 81 1HE LYS 81 -13.192 16.664 2.683 269 2HE LYS 81 2HE LYS 81 -11.980 15.699 3.502 270 1HZ LYS 81 1HZ LYS 81 -10.311 16.605 2.141 271 2HZ LYS 81 2HZ LYS 81 -11.379 17.312 1.126 272 3HZ LYS 81 3HZ LYS 81 -11.207 17.871 2.650 273 H GLU 82 H GLU 82 -10.373 11.826 -1.050 274 HA GLU 82 HA GLU 82 -10.831 9.971 0.793 275 1HB GLU 82 1HB GLU 82 -10.165 9.710 -2.150 276 2HB GLU 82 2HB GLU 82 -10.525 8.281 -1.203 277 1HG GLU 82 1HG GLU 82 -12.405 10.633 -0.991 278 2HG GLU 82 2HG GLU 82 -12.463 9.661 -2.449 279 H ALA 83 H ALA 83 -7.761 10.388 -1.061 280 HA ALA 83 HA ALA 83 -6.537 8.052 -0.114 281 1HB ALA 83 1HB ALA 83 -5.339 10.670 -1.104 282 2HB ALA 83 2HB ALA 83 -4.478 9.119 -0.969 283 3HB ALA 83 3HB ALA 83 -5.822 9.292 -2.120 284 H LYS 84 H LYS 84 -6.495 11.486 1.026 285 HA LYS 84 HA LYS 84 -4.637 11.151 3.045 286 1HB LYS 84 1HB LYS 84 -5.466 13.316 2.177 287 2HB LYS 84 2HB LYS 84 -7.011 13.035 2.952 288 1HG LYS 84 1HG LYS 84 -5.850 12.888 5.180 289 2HG LYS 84 2HG LYS 84 -4.321 13.217 4.391 290 1HD LYS 84 1HD LYS 84 -5.130 15.425 3.638 291 2HD LYS 84 2HD LYS 84 -6.730 15.092 4.274 292 1HE LYS 84 1HE LYS 84 -5.972 15.168 6.550 293 2HE LYS 84 2HE LYS 84 -4.289 15.007 6.087 294 1HZ LYS 84 1HZ LYS 84 -5.970 17.321 5.416 295 2HZ LYS 84 2HZ LYS 84 -4.910 17.272 6.658 296 3HZ LYS 84 3HZ LYS 84 -4.373 17.173 5.119 297 H ASP 85 H ASP 85 -8.258 10.927 3.208 298 HA ASP 85 HA ASP 85 -8.390 10.380 5.873 299 1HB ASP 85 1HB ASP 85 -10.138 9.430 3.561 300 2HB ASP 85 2HB ASP 85 -10.579 9.184 5.239 301 H LEU 86 H LEU 86 -8.144 8.156 3.011 302 HA LEU 86 HA LEU 86 -8.420 5.749 4.265 303 1HB LEU 86 1HB LEU 86 -8.325 6.064 1.860 304 2HB LEU 86 2HB LEU 86 -6.631 6.506 1.952 305 HG LEU 86 HG LEU 86 -7.329 3.853 3.085 306 1HD1 LEU 86 1HD1 LEU 86 -8.795 3.788 1.187 307 2HD1 LEU 86 2HD1 LEU 86 -7.522 4.423 0.116 308 3HD1 LEU 86 3HD1 LEU 86 -7.361 2.799 0.827 309 1HD2 LEU 86 1HD2 LEU 86 -5.110 4.903 1.312 310 2HD2 LEU 86 2HD2 LEU 86 -5.030 4.554 3.054 311 3HD2 LEU 86 3HD2 LEU 86 -5.238 3.225 1.890 312 H VAL 87 H VAL 87 -5.293 7.506 3.656 313 HA VAL 87 HA VAL 87 -3.733 5.643 5.006 314 HB VAL 87 HB VAL 87 -3.367 8.567 4.362 315 1HG1 VAL 87 1HG1 VAL 87 -0.900 8.085 4.756 316 2HG1 VAL 87 2HG1 VAL 87 -1.918 8.222 6.212 317 3HG1 VAL 87 3HG1 VAL 87 -1.422 6.618 5.621 318 1HG2 VAL 87 1HG2 VAL 87 -1.826 7.660 2.627 319 2HG2 VAL 87 2HG2 VAL 87 -2.320 6.014 3.095 320 3HG2 VAL 87 3HG2 VAL 87 -3.515 7.143 2.410 321 H GLU 88 H GLU 88 -5.563 8.515 6.125 322 HA GLU 88 HA GLU 88 -4.308 8.572 8.636 323 1HB GLU 88 1HB GLU 88 -6.875 9.808 7.567 324 2HB GLU 88 2HB GLU 88 -6.316 10.083 9.205 325 1HG GLU 88 1HG GLU 88 -4.397 10.529 6.907 326 2HG GLU 88 2HG GLU 88 -5.616 11.742 7.242 327 H SER 89 H SER 89 -6.648 6.485 7.227 328 HA SER 89 HA SER 89 -7.755 5.860 9.843 329 1HB SER 89 1HB SER 89 -8.722 5.083 7.056 330 2HB SER 89 2HB SER 89 -9.516 4.631 8.551 331 HG SER 89 HG SER 89 -10.569 6.481 8.360 332 H ALA 90 H ALA 90 -5.026 5.098 8.601 333 HA ALA 90 HA ALA 90 -4.904 2.490 7.819 334 1HB ALA 90 1HB ALA 90 -2.633 2.565 9.036 335 2HB ALA 90 2HB ALA 90 -2.931 3.809 7.799 336 3HB ALA 90 3HB ALA 90 -3.084 4.216 9.525 337 HA PRO 91 HA PRO 91 -3.628 0.887 8.208 338 1HB PRO 91 1HB PRO 91 -4.155 -1.792 8.079 339 2HB PRO 91 2HB PRO 91 -2.830 -1.119 9.008 340 1HG PRO 91 1HG PRO 91 -5.410 -2.196 9.968 341 2HG PRO 91 2HG PRO 91 -3.932 -1.922 10.869 342 1HD PRO 91 1HD PRO 91 -6.294 -0.294 10.912 343 2HD PRO 91 2HD PRO 91 -4.775 0.039 11.721 344 H ALA 92 H ALA 92 -3.964 0.252 5.974 345 HA ALA 92 HA ALA 92 -6.820 0.101 5.358 346 1HB ALA 92 1HB ALA 92 -6.315 2.464 5.234 347 2HB ALA 92 2HB ALA 92 -4.835 2.149 4.297 348 3HB ALA 92 3HB ALA 92 -6.431 1.840 3.572 349 H ALA 93 H ALA 93 -7.232 -0.742 3.170 350 HA ALA 93 HA ALA 93 -5.069 -2.498 2.323 351 1HB ALA 93 1HB ALA 93 -7.210 -3.553 2.675 352 2HB ALA 93 2HB ALA 93 -8.038 -2.333 1.678 353 3HB ALA 93 3HB ALA 93 -6.923 -3.494 0.919 354 H LEU 94 H LEU 94 -3.681 -1.786 0.789 355 HA LEU 94 HA LEU 94 -4.432 0.474 -0.827 356 1HB LEU 94 1HB LEU 94 -1.902 -1.162 -0.634 357 2HB LEU 94 2HB LEU 94 -2.100 0.231 -1.677 358 HG LEU 94 HG LEU 94 -2.054 0.152 1.340 359 1HD1 LEU 94 1HD1 LEU 94 -0.306 1.984 0.866 360 2HD1 LEU 94 2HD1 LEU 94 0.130 0.289 0.543 361 3HD1 LEU 94 3HD1 LEU 94 -0.320 1.364 -0.801 362 1HD2 LEU 94 1HD2 LEU 94 -2.443 2.665 1.177 363 2HD2 LEU 94 2HD2 LEU 94 -3.061 2.355 -0.463 364 3HD2 LEU 94 3HD2 LEU 94 -3.859 1.610 0.944 365 H LYS 95 H LYS 95 -3.596 -3.016 -1.304 366 HA LYS 95 HA LYS 95 -5.216 -2.958 -3.714 367 1HB LYS 95 1HB LYS 95 -2.522 -4.245 -3.949 368 2HB LYS 95 2HB LYS 95 -3.580 -3.625 -5.201 369 1HG LYS 95 1HG LYS 95 -3.134 -1.277 -4.338 370 2HG LYS 95 2HG LYS 95 -1.977 -1.953 -3.210 371 1HD LYS 95 1HD LYS 95 -1.742 -2.558 -6.175 372 2HD LYS 95 2HD LYS 95 -1.132 -1.046 -5.538 373 1HE LYS 95 1HE LYS 95 0.294 -2.302 -3.909 374 2HE LYS 95 2HE LYS 95 -0.324 -3.818 -4.534 375 1HZ LYS 95 1HZ LYS 95 1.315 -1.845 -5.949 376 2HZ LYS 95 2HZ LYS 95 1.667 -3.411 -5.640 377 3HZ LYS 95 3HZ LYS 95 0.519 -3.032 -6.740 378 H GLU 96 H GLU 96 -5.933 -5.105 -4.363 379 HA GLU 96 HA GLU 96 -5.453 -7.100 -2.302 380 1HB GLU 96 1HB GLU 96 -8.183 -6.276 -3.387 381 2HB GLU 96 2HB GLU 96 -7.907 -7.681 -2.377 382 1HG GLU 96 1HG GLU 96 -6.914 -6.147 -0.610 383 2HG GLU 96 2HG GLU 96 -7.358 -4.777 -1.608 384 H GLY 97 H GLY 97 -4.890 -9.057 -3.171 385 1HA GLY 97 1HA GLY 97 -4.623 -10.717 -4.659 386 2HA GLY 97 2HA GLY 97 -6.155 -10.239 -5.364 387 H VAL 98 H VAL 98 -2.825 -8.775 -5.137 388 HA VAL 98 HA VAL 98 -2.991 -8.355 -8.042 389 HB VAL 98 HB VAL 98 -1.425 -6.472 -7.643 390 1HG1 VAL 98 1HG1 VAL 98 -3.924 -6.211 -7.835 391 2HG1 VAL 98 2HG1 VAL 98 -3.993 -6.169 -6.058 392 3HG1 VAL 98 3HG1 VAL 98 -3.100 -4.909 -6.944 393 1HG2 VAL 98 1HG2 VAL 98 -2.131 -6.604 -4.716 394 2HG2 VAL 98 2HG2 VAL 98 -0.710 -7.468 -5.350 395 3HG2 VAL 98 3HG2 VAL 98 -0.828 -5.701 -5.525 396 H SER 99 H SER 99 -0.815 -8.412 -9.156 397 HA SER 99 HA SER 99 0.399 -10.817 -8.666 398 1HB SER 99 1HB SER 99 2.129 -10.046 -10.277 399 2HB SER 99 2HB SER 99 0.508 -9.689 -10.838 400 HG SER 99 HG SER 99 1.332 -7.715 -11.102 401 H LYS 100 H LYS 100 2.407 -11.426 -7.676 402 HA LYS 100 HA LYS 100 3.014 -10.095 -5.321 403 1HB LYS 100 1HB LYS 100 3.414 -12.502 -5.806 404 2HB LYS 100 2HB LYS 100 4.734 -12.056 -6.868 405 1HG LYS 100 1HG LYS 100 4.832 -10.836 -4.141 406 2HG LYS 100 2HG LYS 100 5.025 -12.578 -4.183 407 1HD LYS 100 1HD LYS 100 6.871 -12.350 -5.842 408 2HD LYS 100 2HD LYS 100 6.659 -10.610 -5.857 409 1HE LYS 100 1HE LYS 100 7.581 -10.329 -3.722 410 2HE LYS 100 2HE LYS 100 7.097 -11.924 -3.180 411 1HZ LYS 100 1HZ LYS 100 9.215 -11.401 -5.150 412 2HZ LYS 100 2HZ LYS 100 9.463 -11.766 -3.577 413 3HZ LYS 100 3HZ LYS 100 8.789 -12.868 -4.576 414 H ASP 101 H ASP 101 4.529 -9.955 -8.588 415 HA ASP 101 HA ASP 101 6.779 -8.592 -7.887 416 1HB ASP 101 1HB ASP 101 5.067 -8.360 -10.405 417 2HB ASP 101 2HB ASP 101 6.683 -7.695 -10.274 418 H ASP 102 H ASP 102 3.421 -7.468 -8.534 419 HA ASP 102 HA ASP 102 4.086 -4.748 -8.653 420 1HB ASP 102 1HB ASP 102 1.526 -6.326 -8.251 421 2HB ASP 102 2HB ASP 102 1.501 -4.582 -8.082 422 H ALA 103 H ALA 103 2.894 -7.029 -6.114 423 HA ALA 103 HA ALA 103 2.344 -5.161 -4.131 424 1HB ALA 103 1HB ALA 103 2.619 -7.137 -2.611 425 2HB ALA 103 2HB ALA 103 1.588 -7.470 -4.022 426 3HB ALA 103 3HB ALA 103 3.268 -8.058 -3.987 427 H GLU 104 H GLU 104 5.384 -6.921 -4.991 428 HA GLU 104 HA GLU 104 6.782 -5.907 -2.784 429 1HB GLU 104 1HB GLU 104 7.283 -7.988 -4.263 430 2HB GLU 104 2HB GLU 104 8.054 -6.870 -5.371 431 1HG GLU 104 1HG GLU 104 8.776 -6.957 -2.412 432 2HG GLU 104 2HG GLU 104 9.563 -7.993 -3.587 433 H ALA 105 H ALA 105 6.327 -4.847 -6.181 434 HA ALA 105 HA ALA 105 8.433 -3.070 -6.357 435 1HB ALA 105 1HB ALA 105 5.654 -3.014 -7.601 436 2HB ALA 105 2HB ALA 105 7.020 -2.004 -8.132 437 3HB ALA 105 3HB ALA 105 7.114 -3.776 -8.277 438 H LEU 106 H LEU 106 5.042 -2.557 -5.181 439 HA LEU 106 HA LEU 106 5.480 0.197 -4.681 440 1HB LEU 106 1HB LEU 106 3.301 -0.992 -5.184 441 2HB LEU 106 2HB LEU 106 3.325 -1.571 -3.531 442 HG LEU 106 HG LEU 106 3.431 0.857 -2.792 443 1HD1 LEU 106 1HD1 LEU 106 4.156 2.053 -4.659 444 2HD1 LEU 106 2HD1 LEU 106 2.995 1.252 -5.746 445 3HD1 LEU 106 3HD1 LEU 106 2.422 2.441 -4.551 446 1HD2 LEU 106 1HD2 LEU 106 1.397 -0.506 -2.654 447 2HD2 LEU 106 2HD2 LEU 106 1.028 1.195 -3.032 448 3HD2 LEU 106 3HD2 LEU 106 0.967 -0.037 -4.316 449 H LYS 107 H LYS 107 5.721 -2.823 -2.765 450 HA LYS 107 HA LYS 107 5.898 -1.697 -0.252 451 1HB LYS 107 1HB LYS 107 5.618 -4.051 -0.503 452 2HB LYS 107 2HB LYS 107 7.086 -4.207 -1.447 453 1HG LYS 107 1HG LYS 107 8.489 -3.973 0.418 454 2HG LYS 107 2HG LYS 107 7.324 -3.019 1.314 455 1HD LYS 107 1HD LYS 107 5.920 -5.018 1.701 456 2HD LYS 107 2HD LYS 107 6.981 -5.992 0.702 457 1HE LYS 107 1HE LYS 107 8.776 -5.880 2.280 458 2HE LYS 107 2HE LYS 107 8.080 -4.506 3.115 459 1HZ LYS 107 1HZ LYS 107 6.194 -6.054 3.653 460 2HZ LYS 107 2HZ LYS 107 7.152 -7.281 3.158 461 3HZ LYS 107 3HZ LYS 107 7.607 -6.346 4.419 462 H LYS 108 H LYS 108 8.516 -2.380 -2.664 463 HA LYS 108 HA LYS 108 10.620 -1.515 -1.097 464 1HB LYS 108 1HB LYS 108 11.858 -1.933 -2.929 465 2HB LYS 108 2HB LYS 108 10.375 -2.636 -3.541 466 1HG LYS 108 1HG LYS 108 10.970 -1.185 -5.290 467 2HG LYS 108 2HG LYS 108 9.833 -0.203 -4.389 468 1HD LYS 108 1HD LYS 108 11.460 1.376 -4.256 469 2HD LYS 108 2HD LYS 108 12.275 0.326 -3.115 470 1HE LYS 108 1HE LYS 108 13.442 -0.815 -5.043 471 2HE LYS 108 2HE LYS 108 12.670 0.308 -6.146 472 1HZ LYS 108 1HZ LYS 108 14.423 1.102 -3.924 473 2HZ LYS 108 2HZ LYS 108 14.881 1.010 -5.490 474 3HZ LYS 108 3HZ LYS 108 13.762 2.106 -5.028 475 H ALA 109 H ALA 109 8.316 0.310 -3.163 476 HA ALA 109 HA ALA 109 9.706 2.747 -3.041 477 1HB ALA 109 1HB ALA 109 7.524 3.681 -3.800 478 2HB ALA 109 2HB ALA 109 8.016 2.250 -4.736 479 3HB ALA 109 3HB ALA 109 6.763 2.103 -3.482 480 H LEU 110 H LEU 110 7.213 1.192 -0.964 481 HA LEU 110 HA LEU 110 6.737 3.430 0.649 482 1HB LEU 110 1HB LEU 110 6.284 0.490 0.832 483 2HB LEU 110 2HB LEU 110 6.145 1.435 2.301 484 HG LEU 110 HG LEU 110 4.063 0.947 0.747 485 1HD1 LEU 110 1HD1 LEU 110 3.968 2.135 2.865 486 2HD1 LEU 110 2HD1 LEU 110 4.567 3.620 2.086 487 3HD1 LEU 110 3HD1 LEU 110 2.973 2.961 1.642 488 1HD2 LEU 110 1HD2 LEU 110 5.244 2.038 -1.224 489 2HD2 LEU 110 2HD2 LEU 110 3.576 2.566 -0.897 490 3HD2 LEU 110 3HD2 LEU 110 4.946 3.593 -0.413 491 H GLU 111 H GLU 111 9.138 0.745 0.827 492 HA GLU 111 HA GLU 111 10.040 1.507 3.370 493 1HB GLU 111 1HB GLU 111 11.240 -0.248 1.190 494 2HB GLU 111 2HB GLU 111 12.006 -0.029 2.751 495 1HG GLU 111 1HG GLU 111 9.987 -0.900 3.898 496 2HG GLU 111 2HG GLU 111 9.149 -1.041 2.367 497 H GLU 112 H GLU 112 10.930 2.367 0.019 498 HA GLU 112 HA GLU 112 13.372 3.517 0.536 499 1HB GLU 112 1HB GLU 112 11.237 3.927 -1.559 500 2HB GLU 112 2HB GLU 112 12.599 5.028 -1.518 501 1HG GLU 112 1HG GLU 112 12.989 2.007 -1.511 502 2HG GLU 112 2HG GLU 112 12.815 2.907 -3.005 503 H ALA 113 H ALA 113 10.035 4.779 0.917 504 HA ALA 113 HA ALA 113 10.986 7.430 1.516 505 1HB ALA 113 1HB ALA 113 8.831 8.014 1.130 506 2HB ALA 113 2HB ALA 113 8.650 6.358 0.503 507 3HB ALA 113 3HB ALA 113 8.198 6.725 2.185 508 H GLY 114 H GLY 114 10.071 4.444 3.209 509 1HA GLY 114 1HA GLY 114 10.939 4.028 5.366 510 2HA GLY 114 2HA GLY 114 10.853 5.740 5.736 511 H ALA 115 H ALA 115 8.577 3.156 4.541 512 HA ALA 115 HA ALA 115 6.733 4.009 6.661 513 1HB ALA 115 1HB ALA 115 6.005 4.973 4.514 514 2HB ALA 115 2HB ALA 115 6.051 3.359 3.765 515 3HB ALA 115 3HB ALA 115 4.875 3.708 5.055 516 H GLU 116 H GLU 116 5.158 2.273 7.262 517 HA GLU 116 HA GLU 116 6.527 -0.273 7.056 518 1HB GLU 116 1HB GLU 116 5.968 0.686 9.319 519 2HB GLU 116 2HB GLU 116 4.266 0.568 8.923 520 1HG GLU 116 1HG GLU 116 4.494 -1.898 8.620 521 2HG GLU 116 2HG GLU 116 6.206 -1.792 8.977 522 H VAL 117 H VAL 117 5.751 -1.869 5.740 523 HA VAL 117 HA VAL 117 3.029 -1.479 4.706 524 HB VAL 117 HB VAL 117 5.250 -3.057 3.415 525 1HG1 VAL 117 1HG1 VAL 117 3.858 -2.315 1.352 526 2HG1 VAL 117 2HG1 VAL 117 3.229 -3.617 2.390 527 3HG1 VAL 117 3HG1 VAL 117 2.579 -1.967 2.539 528 1HG2 VAL 117 1HG2 VAL 117 5.717 -1.062 2.021 529 2HG2 VAL 117 2HG2 VAL 117 4.627 -0.106 3.053 530 3HG2 VAL 117 3HG2 VAL 117 6.115 -0.803 3.736 531 H GLU 118 H GLU 118 1.913 -3.597 4.075 532 HA GLU 118 HA GLU 118 2.824 -5.788 5.746 533 1HB GLU 118 1HB GLU 118 1.106 -4.718 7.089 534 2HB GLU 118 2HB GLU 118 0.016 -4.609 5.721 535 1HG GLU 118 1HG GLU 118 -0.251 -7.029 5.635 536 2HG GLU 118 2HG GLU 118 1.042 -7.274 6.790 537 H VAL 119 H VAL 119 2.721 -7.768 4.712 538 HA VAL 119 HA VAL 119 1.328 -7.773 2.127 539 HB VAL 119 HB VAL 119 3.648 -9.447 3.115 540 1HG1 VAL 119 1HG1 VAL 119 2.329 -9.303 0.382 541 2HG1 VAL 119 2HG1 VAL 119 3.812 -10.207 0.769 542 3HG1 VAL 119 3HG1 VAL 119 2.265 -10.672 1.518 543 1HG2 VAL 119 1HG2 VAL 119 4.938 -8.158 1.381 544 2HG2 VAL 119 2HG2 VAL 119 3.537 -7.071 1.232 545 3HG2 VAL 119 3HG2 VAL 119 4.406 -7.194 2.779 546 H LYS 120 H LYS 120 -0.519 -8.931 2.021 547 HA LYS 120 HA LYS 120 -0.784 -11.164 3.912 548 1HB LYS 120 1HB LYS 120 -2.112 -9.116 4.553 549 2HB LYS 120 2HB LYS 120 -3.025 -9.307 3.070 550 1HG LYS 120 1HG LYS 120 -3.863 -11.477 3.752 551 2HG LYS 120 2HG LYS 120 -2.731 -11.573 5.086 552 1HD LYS 120 1HD LYS 120 -4.277 -10.609 6.431 553 2HD LYS 120 2HD LYS 120 -4.154 -9.140 5.482 554 1HE LYS 120 1HE LYS 120 -5.942 -11.472 4.663 555 2HE LYS 120 2HE LYS 120 -6.508 -10.168 5.688 556 1HZ LYS 120 1HZ LYS 120 -6.655 -8.835 3.948 557 2HZ LYS 120 2HZ LYS 120 -5.173 -9.213 3.377 558 3HZ LYS 120 3HZ LYS 120 -6.457 -10.146 2.994 Start of MODEL 12 1 1H ALA 47 H ALA 47 0.836 -32.276 -4.520 2 HA ALA 47 HA ALA 47 -0.347 -30.828 -6.614 3 1HB ALA 47 1HB ALA 47 -1.501 -31.634 -4.574 4 2HB ALA 47 2HB ALA 47 -0.513 -30.531 -3.586 5 3HB ALA 47 3HB ALA 47 -1.668 -29.874 -4.771 6 H ALA 48 H ALA 48 -0.478 -28.451 -6.778 7 HA ALA 48 HA ALA 48 1.374 -26.823 -5.402 8 1HB ALA 48 1HB ALA 48 3.134 -26.641 -6.858 9 2HB ALA 48 2HB ALA 48 2.666 -28.311 -7.254 10 3HB ALA 48 3HB ALA 48 2.125 -26.968 -8.288 11 H GLU 49 H GLU 49 -0.187 -25.276 -5.105 12 HA GLU 49 HA GLU 49 -1.880 -24.619 -7.329 13 1HB GLU 49 1HB GLU 49 -1.780 -23.635 -4.445 14 2HB GLU 49 2HB GLU 49 -2.937 -23.045 -5.622 15 1HG GLU 49 1HG GLU 49 -2.986 -25.917 -5.763 16 2HG GLU 49 2HG GLU 49 -3.032 -25.486 -4.064 17 H GLU 50 H GLU 50 -2.290 -22.145 -7.718 18 HA GLU 50 HA GLU 50 0.311 -21.026 -8.210 19 1HB GLU 50 1HB GLU 50 -2.277 -20.932 -9.480 20 2HB GLU 50 2HB GLU 50 -1.801 -19.290 -9.099 21 1HG GLU 50 1HG GLU 50 -0.831 -19.650 -11.228 22 2HG GLU 50 2HG GLU 50 0.512 -19.903 -10.133 23 H LYS 51 H LYS 51 1.256 -19.707 -6.720 24 HA LYS 51 HA LYS 51 -0.530 -18.236 -4.924 25 1HB LYS 51 1HB LYS 51 1.299 -18.174 -3.366 26 2HB LYS 51 2HB LYS 51 1.064 -19.828 -3.892 27 1HG LYS 51 1HG LYS 51 2.874 -18.979 -5.777 28 2HG LYS 51 2HG LYS 51 3.349 -17.974 -4.421 29 1HD LYS 51 1HD LYS 51 3.377 -20.115 -2.991 30 2HD LYS 51 2HD LYS 51 3.178 -21.019 -4.479 31 1HE LYS 51 1HE LYS 51 5.441 -20.962 -4.691 32 2HE LYS 51 2HE LYS 51 5.279 -19.263 -5.087 33 1HZ LYS 51 1HZ LYS 51 6.773 -19.604 -3.252 34 2HZ LYS 51 2HZ LYS 51 5.470 -18.756 -2.747 35 3HZ LYS 51 3HZ LYS 51 5.609 -20.339 -2.373 36 H THR 52 H THR 52 -0.993 -16.700 -6.709 37 HA THR 52 HA THR 52 1.143 -14.690 -6.833 38 HB THR 52 HB THR 52 0.510 -14.360 -9.256 39 HG1 THR 52 1HG THR 52 -0.864 -16.900 -8.767 40 1HG2 THR 52 1HG2 THR 52 1.465 -16.465 -10.160 41 2HG2 THR 52 2HG2 THR 52 2.397 -15.948 -8.734 42 3HG2 THR 52 3HG2 THR 52 1.212 -17.268 -8.593 43 H GLU 53 H GLU 53 -1.103 -14.922 -4.997 44 HA GLU 53 HA GLU 53 -2.482 -12.514 -5.869 45 1HB GLU 53 1HB GLU 53 -3.722 -15.032 -4.697 46 2HB GLU 53 2HB GLU 53 -4.542 -13.484 -4.629 47 1HG GLU 53 1HG GLU 53 -4.250 -13.314 -7.166 48 2HG GLU 53 2HG GLU 53 -3.647 -14.960 -7.147 49 H PHE 54 H PHE 54 -1.088 -11.240 -4.537 50 HA PHE 54 HA PHE 54 -1.405 -11.773 -1.667 51 1HB PHE 54 1HB PHE 54 0.757 -10.299 -3.288 52 2HB PHE 54 2HB PHE 54 0.782 -10.460 -1.544 53 HD1 PHE 54 1HD PHE 54 1.365 -12.568 -0.495 54 HD2 PHE 54 2HD PHE 54 1.249 -12.213 -4.722 55 HE1 PHE 54 1HE PHE 54 2.620 -14.731 -0.711 56 HE2 PHE 54 2HE PHE 54 2.502 -14.376 -4.939 57 HZ PHE 54 HZ PHE 54 3.173 -15.609 -2.931 58 H ASP 55 H ASP 55 -1.824 -9.977 -0.264 59 HA ASP 55 HA ASP 55 -2.942 -7.727 -1.726 60 1HB ASP 55 1HB ASP 55 -3.437 -8.735 1.114 61 2HB ASP 55 2HB ASP 55 -4.175 -7.291 0.448 62 H VAL 56 H VAL 56 -2.337 -5.555 -1.065 63 HA VAL 56 HA VAL 56 -0.018 -5.484 0.738 64 HB VAL 56 HB VAL 56 -0.729 -3.690 -1.593 65 1HG1 VAL 56 1HG1 VAL 56 0.619 -2.196 -0.622 66 2HG1 VAL 56 2HG1 VAL 56 1.087 -3.348 0.652 67 3HG1 VAL 56 3HG1 VAL 56 1.961 -3.333 -0.899 68 1HG2 VAL 56 1HG2 VAL 56 0.053 -6.071 -2.102 69 2HG2 VAL 56 2HG2 VAL 56 0.984 -4.744 -2.836 70 3HG2 VAL 56 3HG2 VAL 56 1.619 -5.589 -1.405 71 H ILE 57 H ILE 57 -0.574 -4.725 2.711 72 HA ILE 57 HA ILE 57 -2.696 -2.697 2.792 73 HB ILE 57 HB ILE 57 -1.891 -4.917 4.621 74 1HG1 ILE 57 1HG1 ILE 57 -4.702 -4.046 4.322 75 2HG1 ILE 57 2HG1 ILE 57 -3.941 -4.598 2.843 76 1HG2 ILE 57 1HG2 ILE 57 -3.179 -3.889 6.455 77 2HG2 ILE 57 2HG2 ILE 57 -1.710 -2.969 6.053 78 3HG2 ILE 57 3HG2 ILE 57 -3.302 -2.386 5.511 79 1HD1 ILE 57 1HD1 ILE 57 -5.108 -6.348 4.437 80 2HD1 ILE 57 2HD1 ILE 57 -3.553 -6.763 3.678 81 3HD1 ILE 57 3HD1 ILE 57 -3.599 -6.224 5.373 82 H LEU 58 H LEU 58 -2.381 -0.797 4.059 83 HA LEU 58 HA LEU 58 0.450 -0.287 4.637 84 1HB LEU 58 1HB LEU 58 -0.071 1.304 3.110 85 2HB LEU 58 2HB LEU 58 -1.768 1.344 3.543 86 HG LEU 58 HG LEU 58 -1.093 2.556 5.668 87 1HD1 LEU 58 1HD1 LEU 58 1.310 1.843 5.553 88 2HD1 LEU 58 2HD1 LEU 58 1.527 3.005 4.221 89 3HD1 LEU 58 3HD1 LEU 58 1.052 3.582 5.837 90 1HD2 LEU 58 1HD2 LEU 58 -0.966 3.640 2.894 91 2HD2 LEU 58 2HD2 LEU 58 -2.102 3.993 4.219 92 3HD2 LEU 58 3HD2 LEU 58 -0.472 4.708 4.230 93 H LYS 59 H LYS 59 1.032 -0.312 6.736 94 HA LYS 59 HA LYS 59 -1.141 -0.205 8.684 95 1HB LYS 59 1HB LYS 59 1.566 -1.500 8.608 96 2HB LYS 59 2HB LYS 59 0.852 -1.106 10.159 97 1HG LYS 59 1HG LYS 59 -1.044 -2.403 8.276 98 2HG LYS 59 2HG LYS 59 0.330 -3.410 8.689 99 1HD LYS 59 1HD LYS 59 -0.128 -3.017 11.127 100 2HD LYS 59 2HD LYS 59 -1.516 -2.036 10.701 101 1HE LYS 59 1HE LYS 59 -2.512 -4.025 9.501 102 2HE LYS 59 2HE LYS 59 -1.149 -4.995 10.025 103 1HZ LYS 59 1HZ LYS 59 -3.341 -3.945 11.583 104 2HZ LYS 59 2HZ LYS 59 -2.565 -5.377 11.710 105 3HZ LYS 59 3HZ LYS 59 -1.890 -4.024 12.328 106 H ALA 60 H ALA 60 2.139 1.140 7.963 107 HA ALA 60 HA ALA 60 1.378 3.461 9.578 108 1HB ALA 60 1HB ALA 60 3.283 3.374 10.880 109 2HB ALA 60 2HB ALA 60 3.006 1.631 10.644 110 3HB ALA 60 3HB ALA 60 4.213 2.484 9.653 111 H ALA 61 H ALA 61 1.715 5.365 8.513 112 HA ALA 61 HA ALA 61 2.727 5.254 5.852 113 1HB ALA 61 1HB ALA 61 1.473 7.261 7.684 114 2HB ALA 61 2HB ALA 61 2.438 7.885 6.326 115 3HB ALA 61 3HB ALA 61 1.050 6.817 6.013 116 H GLY 62 H GLY 62 3.979 6.052 9.077 117 1HA GLY 62 1HA GLY 62 6.152 6.278 9.714 118 2HA GLY 62 2HA GLY 62 6.667 6.179 8.041 119 H ALA 63 H ALA 63 8.159 7.987 8.742 120 HA ALA 63 HA ALA 63 6.837 10.522 9.235 121 1HB ALA 63 1HB ALA 63 9.267 11.276 9.446 122 2HB ALA 63 2HB ALA 63 8.727 10.057 10.625 123 3HB ALA 63 3HB ALA 63 9.721 9.568 9.232 124 H ASN 64 H ASN 64 6.265 9.311 6.686 125 HA ASN 64 HA ASN 64 7.266 11.437 5.046 126 1HB ASN 64 1HB ASN 64 8.714 9.120 4.930 127 2HB ASN 64 2HB ASN 64 7.453 8.705 3.785 128 1HD2 ASN 64 1HD2 ASN 64 6.944 11.417 2.938 129 2HD2 ASN 64 2HD2 ASN 64 8.249 11.901 1.909 130 H LYS 65 H LYS 65 4.725 11.390 5.862 131 HA LYS 65 HA LYS 65 3.011 9.558 4.595 132 1HB LYS 65 1HB LYS 65 2.742 11.250 6.655 133 2HB LYS 65 2HB LYS 65 2.028 12.256 5.410 134 1HG LYS 65 1HG LYS 65 0.213 10.852 5.107 135 2HG LYS 65 2HG LYS 65 1.145 9.398 5.403 136 1HD LYS 65 1HD LYS 65 -0.283 9.558 7.298 137 2HD LYS 65 2HD LYS 65 1.258 10.148 7.882 138 1HE LYS 65 1HE LYS 65 -0.318 11.754 8.666 139 2HE LYS 65 2HE LYS 65 0.423 12.524 7.279 140 1HZ LYS 65 1HZ LYS 65 -2.209 12.145 7.617 141 2HZ LYS 65 2HZ LYS 65 -1.490 12.478 6.190 142 3HZ LYS 65 3HZ LYS 65 -1.832 10.933 6.592 143 H VAL 66 H VAL 66 4.536 12.598 3.598 144 HA VAL 66 HA VAL 66 2.787 13.347 1.591 145 HB VAL 66 HB VAL 66 5.796 13.623 1.741 146 1HG1 VAL 66 1HG1 VAL 66 4.188 15.721 0.415 147 2HG1 VAL 66 2HG1 VAL 66 5.758 15.013 -0.039 148 3HG1 VAL 66 3HG1 VAL 66 4.249 14.161 -0.441 149 1HG2 VAL 66 1HG2 VAL 66 3.527 15.068 3.050 150 2HG2 VAL 66 2HG2 VAL 66 5.148 14.678 3.671 151 3HG2 VAL 66 3HG2 VAL 66 4.934 16.018 2.517 152 H ALA 67 H ALA 67 5.666 11.145 1.474 153 HA ALA 67 HA ALA 67 5.403 10.674 -1.297 154 1HB ALA 67 1HB ALA 67 7.547 10.341 -0.400 155 2HB ALA 67 2HB ALA 67 6.928 9.431 0.999 156 3HB ALA 67 3HB ALA 67 6.946 8.679 -0.614 157 H VAL 68 H VAL 68 4.109 9.144 1.668 158 HA VAL 68 HA VAL 68 3.267 6.754 0.525 159 HB VAL 68 HB VAL 68 2.304 8.409 2.855 160 1HG1 VAL 68 1HG1 VAL 68 1.377 5.630 2.043 161 2HG1 VAL 68 2HG1 VAL 68 1.021 6.426 3.596 162 3HG1 VAL 68 3HG1 VAL 68 0.392 7.113 2.078 163 1HG2 VAL 68 1HG2 VAL 68 4.600 7.284 2.836 164 2HG2 VAL 68 2HG2 VAL 68 3.531 6.908 4.209 165 3HG2 VAL 68 3HG2 VAL 68 3.724 5.736 2.883 166 H ILE 69 H ILE 69 1.336 9.772 1.176 167 HA ILE 69 HA ILE 69 -0.982 8.947 -0.008 168 HB ILE 69 HB ILE 69 0.293 11.648 0.321 169 1HG1 ILE 69 1HG1 ILE 69 -2.216 10.649 1.645 170 2HG1 ILE 69 2HG1 ILE 69 -0.651 10.122 2.232 171 1HG2 ILE 69 1HG2 ILE 69 -1.072 11.903 -1.634 172 2HG2 ILE 69 2HG2 ILE 69 -2.421 11.030 -0.872 173 3HG2 ILE 69 3HG2 ILE 69 -1.930 12.625 -0.253 174 1HD1 ILE 69 1HD1 ILE 69 -0.048 12.240 2.978 175 2HD1 ILE 69 2HD1 ILE 69 -1.006 13.066 1.726 176 3HD1 ILE 69 3HD1 ILE 69 -1.817 12.363 3.146 177 H LYS 70 H LYS 70 2.022 10.179 -1.514 178 HA LYS 70 HA LYS 70 0.927 10.544 -4.076 179 1HB LYS 70 1HB LYS 70 3.689 10.301 -2.926 180 2HB LYS 70 2HB LYS 70 3.480 10.225 -4.664 181 1HG LYS 70 1HG LYS 70 2.267 12.399 -4.633 182 2HG LYS 70 2HG LYS 70 2.409 12.470 -2.888 183 1HD LYS 70 1HD LYS 70 4.227 13.794 -3.560 184 2HD LYS 70 2HD LYS 70 4.998 12.239 -3.318 185 1HE LYS 70 1HE LYS 70 5.789 12.502 -5.446 186 2HE LYS 70 2HE LYS 70 4.182 12.019 -5.954 187 1HZ LYS 70 1HZ LYS 70 4.639 14.043 -6.991 188 2HZ LYS 70 2HZ LYS 70 3.603 14.428 -5.789 189 3HZ LYS 70 3HZ LYS 70 5.195 14.750 -5.628 190 H ALA 71 H ALA 71 2.781 7.805 -2.582 191 HA ALA 71 HA ALA 71 2.757 6.155 -4.796 192 1HB ALA 71 1HB ALA 71 4.051 5.895 -2.637 193 2HB ALA 71 2HB ALA 71 2.553 5.300 -1.883 194 3HB ALA 71 3HB ALA 71 3.291 4.399 -3.228 195 H VAL 72 H VAL 72 0.287 6.689 -2.229 196 HA VAL 72 HA VAL 72 -1.385 4.579 -2.969 197 HB VAL 72 HB VAL 72 -1.934 7.231 -1.624 198 1HG1 VAL 72 1HG1 VAL 72 -3.706 4.845 -2.128 199 2HG1 VAL 72 2HG1 VAL 72 -3.934 5.856 -0.681 200 3HG1 VAL 72 3HG1 VAL 72 -4.066 6.580 -2.301 201 1HG2 VAL 72 1HG2 VAL 72 -0.850 6.321 0.102 202 2HG2 VAL 72 2HG2 VAL 72 -2.134 5.091 0.196 203 3HG2 VAL 72 3HG2 VAL 72 -0.666 4.774 -0.761 204 H ARG 73 H ARG 73 -1.921 8.123 -3.590 205 HA ARG 73 HA ARG 73 -3.951 7.835 -5.314 206 1HB ARG 73 1HB ARG 73 -2.130 9.913 -4.546 207 2HB ARG 73 2HB ARG 73 -2.196 9.948 -6.297 208 1HG ARG 73 1HG ARG 73 -4.792 9.832 -6.018 209 2HG ARG 73 2HG ARG 73 -4.506 10.230 -4.336 210 1HD ARG 73 1HD ARG 73 -4.485 12.415 -4.975 211 2HD ARG 73 2HD ARG 73 -2.919 12.100 -5.696 212 HE ARG 73 HE ARG 73 -4.935 11.254 -7.540 213 1HH1 ARG 73 2HH2 ARG 73 -3.573 14.199 -6.177 214 2HH1 ARG 73 1HH2 ARG 73 -4.038 15.188 -7.520 215 1HH2 ARG 73 2HH1 ARG 73 -5.545 12.559 -9.315 216 2HH2 ARG 73 1HH1 ARG 73 -5.149 14.244 -9.327 217 H GLY 74 H GLY 74 -0.472 7.323 -5.893 218 1HA GLY 74 1HA GLY 74 -0.578 7.447 -8.738 219 2HA GLY 74 2HA GLY 74 0.722 6.823 -7.743 220 H ALA 75 H ALA 75 -1.116 4.922 -6.268 221 HA ALA 75 HA ALA 75 -0.907 2.825 -8.256 222 1HB ALA 75 1HB ALA 75 0.015 2.645 -5.911 223 2HB ALA 75 2HB ALA 75 -1.663 2.660 -5.315 224 3HB ALA 75 3HB ALA 75 -1.103 1.336 -6.366 225 H THR 76 H THR 76 -3.290 4.922 -6.784 226 HA THR 76 HA THR 76 -5.417 3.228 -7.924 227 HB THR 76 HB THR 76 -6.827 4.040 -6.031 228 HG1 THR 76 1HG THR 76 -4.294 5.133 -5.065 229 1HG2 THR 76 1HG2 THR 76 -4.940 3.328 -4.124 230 2HG2 THR 76 2HG2 THR 76 -5.932 2.162 -5.030 231 3HG2 THR 76 3HG2 THR 76 -4.285 2.549 -5.584 232 H GLY 77 H GLY 77 -5.195 6.605 -6.633 233 1HA GLY 77 1HA GLY 77 -5.141 8.433 -8.242 234 2HA GLY 77 2HA GLY 77 -6.223 7.504 -9.259 235 H LEU 78 H LEU 78 -6.685 7.310 -5.767 236 HA LEU 78 HA LEU 78 -9.307 8.359 -5.995 237 1HB LEU 78 1HB LEU 78 -7.583 7.519 -3.669 238 2HB LEU 78 2HB LEU 78 -9.208 8.145 -3.465 239 HG LEU 78 HG LEU 78 -8.594 5.742 -5.197 240 1HD1 LEU 78 1HD1 LEU 78 -9.056 4.283 -3.391 241 2HD1 LEU 78 2HD1 LEU 78 -7.847 5.446 -2.801 242 3HD1 LEU 78 3HD1 LEU 78 -9.555 5.624 -2.334 243 1HD2 LEU 78 1HD2 LEU 78 -11.083 7.084 -4.214 244 2HD2 LEU 78 2HD2 LEU 78 -10.698 6.413 -5.817 245 3HD2 LEU 78 3HD2 LEU 78 -11.085 5.322 -4.464 246 H GLY 79 H GLY 79 -10.172 10.266 -4.901 247 1HA GLY 79 1HA GLY 79 -8.848 12.613 -5.480 248 2HA GLY 79 2HA GLY 79 -10.164 12.442 -4.335 249 H LEU 80 H LEU 80 -7.584 14.095 -4.309 250 HA LEU 80 HA LEU 80 -5.652 13.225 -2.669 251 1HB LEU 80 1HB LEU 80 -6.204 15.553 -3.755 252 2HB LEU 80 2HB LEU 80 -6.837 15.924 -2.164 253 HG LEU 80 HG LEU 80 -4.597 16.735 -2.279 254 1HD1 LEU 80 1HD1 LEU 80 -4.420 14.170 -0.687 255 2HD1 LEU 80 2HD1 LEU 80 -3.609 15.724 -0.374 256 3HD1 LEU 80 3HD1 LEU 80 -5.372 15.583 -0.171 257 1HD2 LEU 80 1HD2 LEU 80 -3.629 13.955 -2.981 258 2HD2 LEU 80 2HD2 LEU 80 -3.901 15.247 -4.174 259 3HD2 LEU 80 3HD2 LEU 80 -2.679 15.457 -2.897 260 H LYS 81 H LYS 81 -8.910 14.417 -1.642 261 HA LYS 81 HA LYS 81 -8.439 14.197 1.095 262 1HB LYS 81 1HB LYS 81 -10.284 15.476 0.114 263 2HB LYS 81 2HB LYS 81 -11.028 14.003 -0.472 264 1HG LYS 81 1HG LYS 81 -11.126 13.174 1.935 265 2HG LYS 81 2HG LYS 81 -10.547 14.745 2.450 266 1HD LYS 81 1HD LYS 81 -12.940 14.843 2.634 267 2HD LYS 81 2HD LYS 81 -12.536 15.782 1.211 268 1HE LYS 81 1HE LYS 81 -13.574 14.313 -0.215 269 2HE LYS 81 2HE LYS 81 -12.960 12.905 0.627 270 1HZ LYS 81 1HZ LYS 81 -15.287 13.015 0.916 271 2HZ LYS 81 2HZ LYS 81 -14.619 13.369 2.362 272 3HZ LYS 81 3HZ LYS 81 -15.244 14.562 1.438 273 H GLU 82 H GLU 82 -10.345 11.923 -1.015 274 HA GLU 82 HA GLU 82 -10.783 9.998 0.752 275 1HB GLU 82 1HB GLU 82 -10.055 9.794 -2.190 276 2HB GLU 82 2HB GLU 82 -10.515 8.375 -1.271 277 1HG GLU 82 1HG GLU 82 -12.685 9.398 -0.686 278 2HG GLU 82 2HG GLU 82 -12.222 10.901 -1.457 279 H ALA 83 H ALA 83 -7.724 10.442 -1.128 280 HA ALA 83 HA ALA 83 -6.488 8.106 -0.220 281 1HB ALA 83 1HB ALA 83 -5.393 10.755 -1.240 282 2HB ALA 83 2HB ALA 83 -4.403 9.297 -0.985 283 3HB ALA 83 3HB ALA 83 -5.714 9.284 -2.189 284 H LYS 84 H LYS 84 -6.441 11.517 0.991 285 HA LYS 84 HA LYS 84 -4.582 11.125 3.005 286 1HB LYS 84 1HB LYS 84 -5.495 13.303 2.110 287 2HB LYS 84 2HB LYS 84 -6.936 13.031 3.070 288 1HG LYS 84 1HG LYS 84 -5.267 12.703 5.080 289 2HG LYS 84 2HG LYS 84 -4.091 13.478 4.037 290 1HD LYS 84 1HD LYS 84 -4.928 15.403 4.976 291 2HD LYS 84 2HD LYS 84 -6.147 15.237 3.728 292 1HE LYS 84 1HE LYS 84 -7.744 14.300 5.233 293 2HE LYS 84 2HE LYS 84 -6.521 13.863 6.409 294 1HZ LYS 84 1HZ LYS 84 -6.638 15.865 7.306 295 2HZ LYS 84 2HZ LYS 84 -6.546 16.646 5.874 296 3HZ LYS 84 3HZ LYS 84 -7.991 16.123 6.428 297 H ASP 85 H ASP 85 -8.207 10.948 3.157 298 HA ASP 85 HA ASP 85 -8.365 10.365 5.808 299 1HB ASP 85 1HB ASP 85 -10.100 9.396 3.490 300 2HB ASP 85 2HB ASP 85 -10.560 9.217 5.171 301 H LEU 86 H LEU 86 -8.081 8.171 2.928 302 HA LEU 86 HA LEU 86 -8.364 5.747 4.151 303 1HB LEU 86 1HB LEU 86 -8.244 6.060 1.758 304 2HB LEU 86 2HB LEU 86 -6.568 6.561 1.863 305 HG LEU 86 HG LEU 86 -7.201 3.872 2.962 306 1HD1 LEU 86 1HD1 LEU 86 -7.292 2.788 0.807 307 2HD1 LEU 86 2HD1 LEU 86 -8.614 3.973 0.932 308 3HD1 LEU 86 3HD1 LEU 86 -7.164 4.354 -0.028 309 1HD2 LEU 86 1HD2 LEU 86 -4.931 4.553 3.035 310 2HD2 LEU 86 2HD2 LEU 86 -5.061 3.351 1.727 311 3HD2 LEU 86 3HD2 LEU 86 -4.959 5.084 1.336 312 H VAL 87 H VAL 87 -5.237 7.525 3.602 313 HA VAL 87 HA VAL 87 -3.684 5.664 4.959 314 HB VAL 87 HB VAL 87 -3.316 8.611 4.410 315 1HG1 VAL 87 1HG1 VAL 87 -0.895 8.204 4.810 316 2HG1 VAL 87 2HG1 VAL 87 -1.884 8.021 6.278 317 3HG1 VAL 87 3HG1 VAL 87 -1.295 6.579 5.417 318 1HG2 VAL 87 1HG2 VAL 87 -1.695 6.583 2.994 319 2HG2 VAL 87 2HG2 VAL 87 -3.438 6.548 2.629 320 3HG2 VAL 87 3HG2 VAL 87 -2.505 8.043 2.379 321 H GLU 88 H GLU 88 -5.547 8.516 6.084 322 HA GLU 88 HA GLU 88 -4.358 8.504 8.633 323 1HB GLU 88 1HB GLU 88 -6.902 9.789 7.555 324 2HB GLU 88 2HB GLU 88 -6.315 10.055 9.184 325 1HG GLU 88 1HG GLU 88 -4.204 10.418 7.146 326 2HG GLU 88 2HG GLU 88 -5.558 11.506 6.913 327 H SER 89 H SER 89 -6.668 6.476 7.102 328 HA SER 89 HA SER 89 -7.894 5.824 9.656 329 1HB SER 89 1HB SER 89 -8.732 5.213 6.790 330 2HB SER 89 2HB SER 89 -9.550 4.550 8.191 331 HG SER 89 HG SER 89 -9.524 7.212 7.196 332 H ALA 90 H ALA 90 -5.117 5.052 8.544 333 HA ALA 90 HA ALA 90 -5.005 2.451 7.710 334 1HB ALA 90 1HB ALA 90 -2.782 2.527 9.120 335 2HB ALA 90 2HB ALA 90 -2.982 3.610 7.723 336 3HB ALA 90 3HB ALA 90 -3.228 4.231 9.373 337 HA PRO 91 HA PRO 91 -3.759 0.825 8.113 338 1HB PRO 91 1HB PRO 91 -4.319 -1.843 7.933 339 2HB PRO 91 2HB PRO 91 -3.010 -1.201 8.906 340 1HG PRO 91 1HG PRO 91 -5.629 -2.253 9.785 341 2HG PRO 91 2HG PRO 91 -4.171 -2.012 10.726 342 1HD PRO 91 1HD PRO 91 -6.511 -0.352 10.730 343 2HD PRO 91 2HD PRO 91 -5.009 -0.049 11.582 344 H ALA 92 H ALA 92 -4.045 0.248 5.862 345 HA ALA 92 HA ALA 92 -6.876 0.048 5.167 346 1HB ALA 92 1HB ALA 92 -5.839 1.811 3.279 347 2HB ALA 92 2HB ALA 92 -6.893 2.245 4.645 348 3HB ALA 92 3HB ALA 92 -5.126 2.380 4.806 349 H ALA 93 H ALA 93 -7.177 -0.670 2.884 350 HA ALA 93 HA ALA 93 -4.995 -2.456 2.148 351 1HB ALA 93 1HB ALA 93 -6.651 -3.845 1.508 352 2HB ALA 93 2HB ALA 93 -7.782 -2.703 2.273 353 3HB ALA 93 3HB ALA 93 -7.430 -2.576 0.532 354 H LEU 94 H LEU 94 -3.504 -1.736 0.719 355 HA LEU 94 HA LEU 94 -4.176 0.491 -0.991 356 1HB LEU 94 1HB LEU 94 -1.626 -1.064 -0.545 357 2HB LEU 94 2HB LEU 94 -1.776 0.289 -1.650 358 HG LEU 94 HG LEU 94 -2.115 0.363 1.360 359 1HD1 LEU 94 1HD1 LEU 94 -0.165 2.081 0.966 360 2HD1 LEU 94 2HD1 LEU 94 0.158 0.334 1.058 361 3HD1 LEU 94 3HD1 LEU 94 0.076 1.141 -0.527 362 1HD2 LEU 94 1HD2 LEU 94 -2.558 2.522 -0.710 363 2HD2 LEU 94 2HD2 LEU 94 -3.704 1.905 0.503 364 3HD2 LEU 94 3HD2 LEU 94 -2.289 2.855 1.017 365 H LYS 95 H LYS 95 -3.347 -3.011 -1.253 366 HA LYS 95 HA LYS 95 -4.563 -2.957 -3.906 367 1HB LYS 95 1HB LYS 95 -2.031 -4.520 -3.500 368 2HB LYS 95 2HB LYS 95 -2.777 -3.977 -4.990 369 1HG LYS 95 1HG LYS 95 -1.751 -1.966 -2.954 370 2HG LYS 95 2HG LYS 95 -0.656 -2.707 -4.104 371 1HD LYS 95 1HD LYS 95 -3.231 -1.488 -5.126 372 2HD LYS 95 2HD LYS 95 -1.910 -0.423 -4.687 373 1HE LYS 95 1HE LYS 95 -1.563 -2.787 -6.587 374 2HE LYS 95 2HE LYS 95 -1.970 -1.176 -7.142 375 1HZ LYS 95 1HZ LYS 95 0.277 -1.120 -7.218 376 2HZ LYS 95 2HZ LYS 95 0.075 -0.556 -5.699 377 3HZ LYS 95 3HZ LYS 95 0.496 -2.115 -5.941 378 H GLU 96 H GLU 96 -5.357 -5.086 -4.594 379 HA GLU 96 HA GLU 96 -5.557 -6.940 -2.360 380 1HB GLU 96 1HB GLU 96 -7.861 -6.018 -4.134 381 2HB GLU 96 2HB GLU 96 -7.966 -7.326 -2.972 382 1HG GLU 96 1HG GLU 96 -7.174 -5.622 -1.192 383 2HG GLU 96 2HG GLU 96 -7.449 -4.379 -2.395 384 H GLY 97 H GLY 97 -4.970 -8.990 -2.945 385 1HA GLY 97 1HA GLY 97 -4.227 -10.654 -4.280 386 2HA GLY 97 2HA GLY 97 -5.775 -10.449 -5.076 387 H VAL 98 H VAL 98 -2.446 -8.996 -4.984 388 HA VAL 98 HA VAL 98 -2.696 -8.640 -7.892 389 HB VAL 98 HB VAL 98 -0.987 -6.823 -7.555 390 1HG1 VAL 98 1HG1 VAL 98 -2.637 -5.143 -6.932 391 2HG1 VAL 98 2HG1 VAL 98 -3.392 -6.385 -7.960 392 3HG1 VAL 98 3HG1 VAL 98 -3.673 -6.393 -6.202 393 1HG2 VAL 98 1HG2 VAL 98 -1.849 -6.906 -4.652 394 2HG2 VAL 98 2HG2 VAL 98 -0.335 -7.632 -5.239 395 3HG2 VAL 98 3HG2 VAL 98 -0.604 -5.880 -5.404 396 H SER 99 H SER 99 -0.550 -8.805 -9.060 397 HA SER 99 HA SER 99 0.597 -11.234 -8.496 398 1HB SER 99 1HB SER 99 2.307 -10.581 -10.195 399 2HB SER 99 2HB SER 99 0.672 -10.242 -10.726 400 HG SER 99 HG SER 99 0.963 -8.038 -10.365 401 H LYS 100 H LYS 100 2.617 -11.860 -7.544 402 HA LYS 100 HA LYS 100 3.355 -10.550 -5.262 403 1HB LYS 100 1HB LYS 100 3.856 -12.942 -6.083 404 2HB LYS 100 2HB LYS 100 5.262 -12.254 -6.867 405 1HG LYS 100 1HG LYS 100 4.763 -11.586 -3.962 406 2HG LYS 100 2HG LYS 100 5.392 -13.173 -4.357 407 1HD LYS 100 1HD LYS 100 6.698 -10.739 -5.594 408 2HD LYS 100 2HD LYS 100 7.041 -11.118 -3.917 409 1HE LYS 100 1HE LYS 100 7.804 -13.389 -4.549 410 2HE LYS 100 2HE LYS 100 7.366 -13.102 -6.220 411 1HZ LYS 100 1HZ LYS 100 9.238 -11.323 -4.853 412 2HZ LYS 100 2HZ LYS 100 9.753 -12.719 -5.524 413 3HZ LYS 100 3HZ LYS 100 9.057 -11.573 -6.456 414 H ASP 101 H ASP 101 4.777 -10.288 -8.574 415 HA ASP 101 HA ASP 101 6.969 -8.836 -7.898 416 1HB ASP 101 1HB ASP 101 5.200 -8.858 -10.368 417 2HB ASP 101 2HB ASP 101 6.607 -7.816 -10.300 418 H ASP 102 H ASP 102 3.572 -7.810 -8.580 419 HA ASP 102 HA ASP 102 4.134 -5.078 -8.653 420 1HB ASP 102 1HB ASP 102 1.626 -6.734 -8.214 421 2HB ASP 102 2HB ASP 102 1.557 -4.988 -8.084 422 H ALA 103 H ALA 103 3.309 -7.455 -6.102 423 HA ALA 103 HA ALA 103 2.615 -5.607 -4.099 424 1HB ALA 103 1HB ALA 103 3.807 -8.382 -3.747 425 2HB ALA 103 2HB ALA 103 2.722 -7.510 -2.637 426 3HB ALA 103 3HB ALA 103 2.109 -8.096 -4.202 427 H GLU 104 H GLU 104 5.706 -7.275 -4.982 428 HA GLU 104 HA GLU 104 7.091 -6.151 -2.819 429 1HB GLU 104 1HB GLU 104 7.562 -8.155 -4.704 430 2HB GLU 104 2HB GLU 104 8.735 -6.930 -5.146 431 1HG GLU 104 1HG GLU 104 8.427 -7.664 -2.228 432 2HG GLU 104 2HG GLU 104 9.307 -8.753 -3.283 433 H ALA 105 H ALA 105 6.282 -5.067 -6.080 434 HA ALA 105 HA ALA 105 8.349 -3.154 -6.326 435 1HB ALA 105 1HB ALA 105 5.731 -3.769 -7.680 436 2HB ALA 105 2HB ALA 105 6.542 -2.221 -8.019 437 3HB ALA 105 3HB ALA 105 7.379 -3.756 -8.352 438 H LEU 106 H LEU 106 4.866 -2.971 -5.318 439 HA LEU 106 HA LEU 106 4.957 -0.213 -4.798 440 1HB LEU 106 1HB LEU 106 2.904 -1.386 -5.268 441 2HB LEU 106 2HB LEU 106 3.101 -2.396 -3.851 442 HG LEU 106 HG LEU 106 1.411 -0.599 -3.585 443 1HD1 LEU 106 1HD1 LEU 106 3.529 0.108 -1.616 444 2HD1 LEU 106 2HD1 LEU 106 1.829 -0.354 -1.365 445 3HD1 LEU 106 3HD1 LEU 106 3.046 -1.601 -1.731 446 1HD2 LEU 106 1HD2 LEU 106 2.575 1.106 -4.962 447 2HD2 LEU 106 2HD2 LEU 106 2.049 1.716 -3.374 448 3HD2 LEU 106 3HD2 LEU 106 3.760 1.312 -3.651 449 H LYS 107 H LYS 107 5.417 -3.139 -2.735 450 HA LYS 107 HA LYS 107 5.588 -1.845 -0.305 451 1HB LYS 107 1HB LYS 107 5.385 -4.214 -0.386 452 2HB LYS 107 2HB LYS 107 6.832 -4.393 -1.356 453 1HG LYS 107 1HG LYS 107 8.244 -3.621 0.507 454 2HG LYS 107 2HG LYS 107 6.832 -3.236 1.471 455 1HD LYS 107 1HD LYS 107 7.356 -5.340 2.333 456 2HD LYS 107 2HD LYS 107 6.214 -5.793 1.083 457 1HE LYS 107 1HE LYS 107 8.012 -7.262 0.668 458 2HE LYS 107 2HE LYS 107 8.313 -5.976 -0.484 459 1HZ LYS 107 1HZ LYS 107 10.267 -5.778 0.484 460 2HZ LYS 107 2HZ LYS 107 9.531 -5.171 1.810 461 3HZ LYS 107 3HZ LYS 107 9.869 -6.767 1.723 462 H LYS 108 H LYS 108 8.161 -2.533 -2.756 463 HA LYS 108 HA LYS 108 10.293 -1.574 -1.293 464 1HB LYS 108 1HB LYS 108 9.688 -2.027 -4.173 465 2HB LYS 108 2HB LYS 108 11.055 -0.990 -3.811 466 1HG LYS 108 1HG LYS 108 11.986 -2.766 -2.298 467 2HG LYS 108 2HG LYS 108 10.631 -3.804 -2.695 468 1HD LYS 108 1HD LYS 108 11.333 -4.087 -4.949 469 2HD LYS 108 2HD LYS 108 12.339 -2.652 -4.921 470 1HE LYS 108 1HE LYS 108 13.773 -3.873 -3.133 471 2HE LYS 108 2HE LYS 108 12.885 -5.322 -3.557 472 1HZ LYS 108 1HZ LYS 108 13.591 -4.398 -5.947 473 2HZ LYS 108 2HZ LYS 108 14.873 -3.920 -5.056 474 3HZ LYS 108 3HZ LYS 108 14.453 -5.497 -5.102 475 H ALA 109 H ALA 109 7.867 0.160 -3.303 476 HA ALA 109 HA ALA 109 9.169 2.632 -3.291 477 1HB ALA 109 1HB ALA 109 7.132 1.691 -4.655 478 2HB ALA 109 2HB ALA 109 6.166 2.338 -3.306 479 3HB ALA 109 3HB ALA 109 7.199 3.427 -4.264 480 H LEU 110 H LEU 110 6.753 1.134 -1.058 481 HA LEU 110 HA LEU 110 6.427 3.385 0.560 482 1HB LEU 110 1HB LEU 110 5.929 0.456 0.810 483 2HB LEU 110 2HB LEU 110 5.873 1.431 2.265 484 HG LEU 110 HG LEU 110 3.710 0.953 0.844 485 1HD1 LEU 110 1HD1 LEU 110 3.674 2.211 2.887 486 2HD1 LEU 110 2HD1 LEU 110 4.390 3.631 2.086 487 3HD1 LEU 110 3HD1 LEU 110 2.746 3.102 1.658 488 1HD2 LEU 110 1HD2 LEU 110 4.621 3.508 -0.491 489 2HD2 LEU 110 2HD2 LEU 110 4.782 1.901 -1.241 490 3HD2 LEU 110 3HD2 LEU 110 3.169 2.535 -0.834 491 H GLU 111 H GLU 111 8.793 0.669 0.618 492 HA GLU 111 HA GLU 111 9.849 1.390 3.103 493 1HB GLU 111 1HB GLU 111 10.651 -0.432 0.849 494 2HB GLU 111 2HB GLU 111 11.875 -0.027 2.036 495 1HG GLU 111 1HG GLU 111 10.479 -0.864 3.865 496 2HG GLU 111 2HG GLU 111 9.110 -1.075 2.793 497 H GLU 112 H GLU 112 10.590 2.292 -0.283 498 HA GLU 112 HA GLU 112 13.045 3.440 0.139 499 1HB GLU 112 1HB GLU 112 10.815 4.011 -1.839 500 2HB GLU 112 2HB GLU 112 12.311 4.921 -1.884 501 1HG GLU 112 1HG GLU 112 12.697 1.978 -1.685 502 2HG GLU 112 2HG GLU 112 11.889 2.489 -3.154 503 H ALA 113 H ALA 113 9.737 4.693 0.713 504 HA ALA 113 HA ALA 113 10.709 7.339 1.300 505 1HB ALA 113 1HB ALA 113 7.954 6.393 2.023 506 2HB ALA 113 2HB ALA 113 8.477 7.932 1.295 507 3HB ALA 113 3HB ALA 113 8.392 6.458 0.300 508 H GLY 114 H GLY 114 9.912 4.318 2.996 509 1HA GLY 114 1HA GLY 114 10.900 3.859 5.087 510 2HA GLY 114 2HA GLY 114 10.859 5.566 5.487 511 H ALA 115 H ALA 115 8.480 3.024 4.407 512 HA ALA 115 HA ALA 115 6.770 3.898 6.629 513 1HB ALA 115 1HB ALA 115 4.825 3.624 5.144 514 2HB ALA 115 2HB ALA 115 5.952 4.836 4.488 515 3HB ALA 115 3HB ALA 115 5.905 3.198 3.794 516 H GLU 116 H GLU 116 5.052 2.142 7.113 517 HA GLU 116 HA GLU 116 6.462 -0.398 6.978 518 1HB GLU 116 1HB GLU 116 5.908 0.644 9.236 519 2HB GLU 116 2HB GLU 116 4.212 0.401 8.871 520 1HG GLU 116 1HG GLU 116 4.448 -1.993 8.826 521 2HG GLU 116 2HG GLU 116 6.195 -1.902 8.730 522 H VAL 117 H VAL 117 5.664 -1.979 5.660 523 HA VAL 117 HA VAL 117 2.914 -1.605 4.703 524 HB VAL 117 HB VAL 117 5.181 -3.118 3.399 525 1HG1 VAL 117 1HG1 VAL 117 3.133 -3.917 2.538 526 2HG1 VAL 117 2HG1 VAL 117 2.411 -2.290 2.508 527 3HG1 VAL 117 3HG1 VAL 117 3.694 -2.717 1.351 528 1HG2 VAL 117 1HG2 VAL 117 5.896 -0.839 3.492 529 2HG2 VAL 117 2HG2 VAL 117 5.284 -1.129 1.845 530 3HG2 VAL 117 3HG2 VAL 117 4.284 -0.246 3.025 531 H GLU 118 H GLU 118 1.755 -3.707 4.151 532 HA GLU 118 HA GLU 118 2.720 -5.889 5.810 533 1HB GLU 118 1HB GLU 118 1.014 -4.896 7.180 534 2HB GLU 118 2HB GLU 118 -0.067 -4.679 5.819 535 1HG GLU 118 1HG GLU 118 -0.708 -6.920 5.775 536 2HG GLU 118 2HG GLU 118 0.829 -7.490 6.392 537 H VAL 119 H VAL 119 2.662 -7.870 4.780 538 HA VAL 119 HA VAL 119 1.293 -7.904 2.183 539 HB VAL 119 HB VAL 119 3.637 -9.496 3.242 540 1HG1 VAL 119 1HG1 VAL 119 3.755 -10.166 0.732 541 2HG1 VAL 119 2HG1 VAL 119 2.592 -10.996 1.793 542 3HG1 VAL 119 3HG1 VAL 119 2.035 -9.710 0.697 543 1HG2 VAL 119 1HG2 VAL 119 4.992 -7.961 2.343 544 2HG2 VAL 119 2HG2 VAL 119 4.068 -7.931 0.822 545 3HG2 VAL 119 3HG2 VAL 119 3.563 -6.911 2.191 546 H LYS 120 H LYS 120 -0.512 -9.125 1.997 547 HA LYS 120 HA LYS 120 -0.823 -11.320 3.920 548 1HB LYS 120 1HB LYS 120 -2.376 -8.917 3.750 549 2HB LYS 120 2HB LYS 120 -3.386 -10.261 3.257 550 1HG LYS 120 1HG LYS 120 -2.556 -11.509 5.349 551 2HG LYS 120 2HG LYS 120 -1.820 -10.003 5.861 552 1HD LYS 120 1HD LYS 120 -3.992 -8.873 5.905 553 2HD LYS 120 2HD LYS 120 -4.781 -10.252 5.167 554 1HE LYS 120 1HE LYS 120 -4.814 -11.472 7.134 555 2HE LYS 120 2HE LYS 120 -3.272 -10.847 7.679 556 1HZ LYS 120 1HZ LYS 120 -4.495 -8.693 8.006 557 2HZ LYS 120 2HZ LYS 120 -5.883 -9.534 7.825 558 3HZ LYS 120 3HZ LYS 120 -4.863 -9.894 9.049 Start of MODEL 13 1 1H ALA 47 H ALA 47 -1.489 -28.202 3.837 2 HA ALA 47 HA ALA 47 -0.045 -27.645 1.659 3 1HB ALA 47 1HB ALA 47 -1.495 -30.255 2.254 4 2HB ALA 47 2HB ALA 47 0.008 -30.061 1.322 5 3HB ALA 47 3HB ALA 47 -0.008 -29.710 3.067 6 H ALA 48 H ALA 48 -0.423 -28.827 -0.613 7 HA ALA 48 HA ALA 48 -1.402 -28.408 -2.580 8 1HB ALA 48 1HB ALA 48 -2.422 -30.510 -1.994 9 2HB ALA 48 2HB ALA 48 -3.626 -29.700 -0.961 10 3HB ALA 48 3HB ALA 48 -3.685 -29.494 -2.727 11 H GLU 49 H GLU 49 -1.147 -25.989 -1.619 12 HA GLU 49 HA GLU 49 -3.782 -24.819 -2.026 13 1HB GLU 49 1HB GLU 49 -1.928 -24.471 0.262 14 2HB GLU 49 2HB GLU 49 -2.498 -22.962 -0.418 15 1HG GLU 49 1HG GLU 49 -4.380 -25.250 0.304 16 2HG GLU 49 2HG GLU 49 -3.954 -23.984 1.439 17 H GLU 50 H GLU 50 -3.809 -22.836 -3.227 18 HA GLU 50 HA GLU 50 -1.246 -22.301 -4.512 19 1HB GLU 50 1HB GLU 50 -3.993 -22.627 -5.550 20 2HB GLU 50 2HB GLU 50 -3.205 -21.183 -6.154 21 1HG GLU 50 1HG GLU 50 -1.373 -22.434 -7.084 22 2HG GLU 50 2HG GLU 50 -1.778 -23.871 -6.166 23 H LYS 51 H LYS 51 -0.335 -20.316 -4.158 24 HA LYS 51 HA LYS 51 -2.128 -18.115 -3.476 25 1HB LYS 51 1HB LYS 51 -0.406 -17.460 -1.691 26 2HB LYS 51 2HB LYS 51 -1.542 -18.740 -1.310 27 1HG LYS 51 1HG LYS 51 1.027 -19.597 -2.601 28 2HG LYS 51 2HG LYS 51 1.156 -18.981 -0.966 29 1HD LYS 51 1HD LYS 51 -0.798 -20.597 -0.378 30 2HD LYS 51 2HD LYS 51 -0.504 -21.341 -1.937 31 1HE LYS 51 1HE LYS 51 2.068 -21.208 -0.904 32 2HE LYS 51 2HE LYS 51 1.125 -21.459 0.551 33 1HZ LYS 51 1HZ LYS 51 0.976 -23.126 -1.864 34 2HZ LYS 51 2HZ LYS 51 1.732 -23.529 -0.474 35 3HZ LYS 51 3HZ LYS 51 0.108 -23.362 -0.502 36 H THR 52 H THR 52 -1.790 -17.311 -5.601 37 HA THR 52 HA THR 52 0.990 -16.481 -6.121 38 HB THR 52 HB THR 52 0.544 -16.836 -8.436 39 HG1 THR 52 1HG THR 52 -2.238 -16.854 -7.497 40 1HG2 THR 52 1HG2 THR 52 -1.475 -18.846 -7.408 41 2HG2 THR 52 2HG2 THR 52 -0.198 -19.064 -8.629 42 3HG2 THR 52 3HG2 THR 52 0.224 -19.009 -6.901 43 H GLU 53 H GLU 53 -1.969 -15.399 -4.973 44 HA GLU 53 HA GLU 53 -1.418 -12.750 -6.067 45 1HB GLU 53 1HB GLU 53 -4.011 -14.166 -5.446 46 2HB GLU 53 2HB GLU 53 -3.954 -12.420 -5.320 47 1HG GLU 53 1HG GLU 53 -3.063 -12.301 -7.673 48 2HG GLU 53 2HG GLU 53 -3.188 -14.045 -7.793 49 H PHE 54 H PHE 54 -0.714 -11.256 -4.603 50 HA PHE 54 HA PHE 54 -1.084 -11.942 -1.778 51 1HB PHE 54 1HB PHE 54 0.897 -10.168 -3.328 52 2HB PHE 54 2HB PHE 54 0.910 -10.315 -1.582 53 HD1 PHE 54 1HD PHE 54 2.109 -12.040 -0.549 54 HD2 PHE 54 2HD PHE 54 1.263 -12.307 -4.699 55 HE1 PHE 54 1HE PHE 54 3.622 -14.035 -0.730 56 HE2 PHE 54 2HE PHE 54 2.776 -14.300 -4.879 57 HZ PHE 54 HZ PHE 54 3.938 -15.141 -2.892 58 H ASP 55 H ASP 55 -1.501 -10.170 -0.245 59 HA ASP 55 HA ASP 55 -3.018 -8.064 -1.560 60 1HB ASP 55 1HB ASP 55 -3.139 -8.871 1.376 61 2HB ASP 55 2HB ASP 55 -4.287 -7.872 0.507 62 H VAL 56 H VAL 56 -2.441 -5.877 -1.129 63 HA VAL 56 HA VAL 56 -0.052 -5.550 0.542 64 HB VAL 56 HB VAL 56 -1.124 -3.925 -1.773 65 1HG1 VAL 56 1HG1 VAL 56 -0.027 -2.496 -0.094 66 2HG1 VAL 56 2HG1 VAL 56 1.420 -3.532 -0.160 67 3HG1 VAL 56 3HG1 VAL 56 0.925 -2.598 -1.594 68 1HG2 VAL 56 1HG2 VAL 56 0.103 -6.276 -2.027 69 2HG2 VAL 56 2HG2 VAL 56 0.424 -4.922 -3.137 70 3HG2 VAL 56 3HG2 VAL 56 1.550 -5.265 -1.801 71 H ILE 57 H ILE 57 -0.576 -4.887 2.563 72 HA ILE 57 HA ILE 57 -2.773 -2.952 2.779 73 HB ILE 57 HB ILE 57 -1.676 -4.961 4.744 74 1HG1 ILE 57 1HG1 ILE 57 -4.423 -5.260 4.532 75 2HG1 ILE 57 2HG1 ILE 57 -3.943 -4.899 2.886 76 1HG2 ILE 57 1HG2 ILE 57 -3.601 -2.670 5.165 77 2HG2 ILE 57 2HG2 ILE 57 -3.548 -4.098 6.228 78 3HG2 ILE 57 3HG2 ILE 57 -2.114 -3.056 6.065 79 1HD1 ILE 57 1HD1 ILE 57 -3.040 -7.187 4.657 80 2HD1 ILE 57 2HD1 ILE 57 -3.695 -7.244 3.003 81 3HD1 ILE 57 3HD1 ILE 57 -2.036 -6.663 3.283 82 H LEU 58 H LEU 58 -2.463 -1.043 4.028 83 HA LEU 58 HA LEU 58 0.371 -0.422 4.454 84 1HB LEU 58 1HB LEU 58 -0.384 1.120 2.937 85 2HB LEU 58 2HB LEU 58 -2.003 1.167 3.606 86 HG LEU 58 HG LEU 58 -1.091 2.408 5.588 87 1HD1 LEU 58 1HD1 LEU 58 1.443 2.136 4.006 88 2HD1 LEU 58 2HD1 LEU 58 1.176 3.580 5.012 89 3HD1 LEU 58 3HD1 LEU 58 1.162 1.964 5.757 90 1HD2 LEU 58 1HD2 LEU 58 -1.930 4.123 4.461 91 2HD2 LEU 58 2HD2 LEU 58 -0.337 4.368 3.706 92 3HD2 LEU 58 3HD2 LEU 58 -1.552 3.341 2.906 93 H LYS 59 H LYS 59 1.092 -0.402 6.511 94 HA LYS 59 HA LYS 59 -0.924 -0.506 8.605 95 1HB LYS 59 1HB LYS 59 2.002 -1.237 8.451 96 2HB LYS 59 2HB LYS 59 1.176 -1.094 9.989 97 1HG LYS 59 1HG LYS 59 -0.605 -2.624 8.449 98 2HG LYS 59 2HG LYS 59 0.966 -3.211 7.942 99 1HD LYS 59 1HD LYS 59 0.272 -2.888 10.889 100 2HD LYS 59 2HD LYS 59 -0.143 -4.345 10.008 101 1HE LYS 59 1HE LYS 59 2.229 -4.727 9.430 102 2HE LYS 59 2HE LYS 59 2.687 -3.209 10.174 103 1HZ LYS 59 1HZ LYS 59 3.072 -4.890 11.731 104 2HZ LYS 59 2HZ LYS 59 1.725 -4.130 12.258 105 3HZ LYS 59 3HZ LYS 59 1.608 -5.580 11.516 106 H ALA 60 H ALA 60 2.255 1.165 8.011 107 HA ALA 60 HA ALA 60 1.087 3.529 9.279 108 1HB ALA 60 1HB ALA 60 3.584 2.021 10.083 109 2HB ALA 60 2HB ALA 60 3.424 3.766 10.399 110 3HB ALA 60 3HB ALA 60 2.259 2.620 11.109 111 H ALA 61 H ALA 61 1.490 5.364 8.120 112 HA ALA 61 HA ALA 61 2.851 5.178 5.661 113 1HB ALA 61 1HB ALA 61 1.259 6.819 5.569 114 2HB ALA 61 2HB ALA 61 1.449 7.248 7.287 115 3HB ALA 61 3HB ALA 61 2.620 7.845 6.086 116 H GLY 62 H GLY 62 3.840 5.855 8.971 117 1HA GLY 62 1HA GLY 62 5.956 5.990 9.792 118 2HA GLY 62 2HA GLY 62 6.605 5.961 8.164 119 H ALA 63 H ALA 63 8.091 7.697 8.830 120 HA ALA 63 HA ALA 63 6.851 10.216 9.561 121 1HB ALA 63 1HB ALA 63 9.800 9.612 9.188 122 2HB ALA 63 2HB ALA 63 9.051 10.886 10.178 123 3HB ALA 63 3HB ALA 63 8.921 9.182 10.674 124 H ASN 64 H ASN 64 6.244 9.160 6.919 125 HA ASN 64 HA ASN 64 7.196 11.414 5.433 126 1HB ASN 64 1HB ASN 64 8.747 9.237 5.126 127 2HB ASN 64 2HB ASN 64 7.453 8.720 4.063 128 1HD2 ASN 64 1HD2 ASN 64 10.120 9.292 3.311 129 2HD2 ASN 64 2HD2 ASN 64 10.138 10.639 2.222 130 H LYS 65 H LYS 65 4.681 11.385 6.165 131 HA LYS 65 HA LYS 65 2.951 9.560 4.932 132 1HB LYS 65 1HB LYS 65 2.694 11.298 6.945 133 2HB LYS 65 2HB LYS 65 2.010 12.295 5.677 134 1HG LYS 65 1HG LYS 65 0.143 10.971 5.450 135 2HG LYS 65 2HG LYS 65 1.047 9.482 5.644 136 1HD LYS 65 1HD LYS 65 -0.368 9.638 7.577 137 2HD LYS 65 2HD LYS 65 1.244 10.033 8.139 138 1HE LYS 65 1HE LYS 65 0.754 12.427 8.105 139 2HE LYS 65 2HE LYS 65 -0.774 12.160 7.288 140 1HZ LYS 65 1HZ LYS 65 -0.210 10.969 9.904 141 2HZ LYS 65 2HZ LYS 65 -0.841 12.469 9.759 142 3HZ LYS 65 3HZ LYS 65 -1.662 11.179 9.183 143 H VAL 66 H VAL 66 4.495 12.571 3.861 144 HA VAL 66 HA VAL 66 2.672 13.161 1.806 145 HB VAL 66 HB VAL 66 5.602 13.857 2.087 146 1HG1 VAL 66 1HG1 VAL 66 4.240 14.201 -0.160 147 2HG1 VAL 66 2HG1 VAL 66 3.603 15.616 0.714 148 3HG1 VAL 66 3HG1 VAL 66 5.355 15.448 0.447 149 1HG2 VAL 66 1HG2 VAL 66 4.257 16.089 2.857 150 2HG2 VAL 66 2HG2 VAL 66 3.161 14.823 3.464 151 3HG2 VAL 66 3HG2 VAL 66 4.863 14.850 3.984 152 H ALA 67 H ALA 67 5.763 11.288 1.920 153 HA ALA 67 HA ALA 67 5.857 10.804 -0.842 154 1HB ALA 67 1HB ALA 67 7.474 9.009 -0.139 155 2HB ALA 67 2HB ALA 67 7.823 10.608 0.562 156 3HB ALA 67 3HB ALA 67 7.044 9.352 1.554 157 H VAL 68 H VAL 68 4.081 9.334 1.855 158 HA VAL 68 HA VAL 68 3.540 6.919 0.400 159 HB VAL 68 HB VAL 68 2.653 8.072 3.041 160 1HG1 VAL 68 1HG1 VAL 68 1.612 5.691 1.546 161 2HG1 VAL 68 2HG1 VAL 68 1.790 5.584 3.315 162 3HG1 VAL 68 3HG1 VAL 68 0.757 6.844 2.597 163 1HG2 VAL 68 1HG2 VAL 68 4.901 7.292 3.124 164 2HG2 VAL 68 2HG2 VAL 68 3.901 6.032 3.886 165 3HG2 VAL 68 3HG2 VAL 68 4.495 5.810 2.224 166 H ILE 69 H ILE 69 2.009 10.079 1.018 167 HA ILE 69 HA ILE 69 -0.596 9.307 0.313 168 HB ILE 69 HB ILE 69 0.885 11.883 0.618 169 1HG1 ILE 69 1HG1 ILE 69 -1.705 11.061 1.917 170 2HG1 ILE 69 2HG1 ILE 69 -0.180 10.417 2.490 171 1HG2 ILE 69 1HG2 ILE 69 -0.396 12.488 -1.249 172 2HG2 ILE 69 2HG2 ILE 69 -1.802 11.539 -0.710 173 3HG2 ILE 69 3HG2 ILE 69 -1.352 13.031 0.150 174 1HD1 ILE 69 1HD1 ILE 69 0.587 12.491 3.241 175 2HD1 ILE 69 2HD1 ILE 69 -0.389 13.396 2.058 176 3HD1 ILE 69 3HD1 ILE 69 -1.165 12.681 3.492 177 H LYS 70 H LYS 70 2.147 10.723 -1.566 178 HA LYS 70 HA LYS 70 0.678 10.918 -3.960 179 1HB LYS 70 1HB LYS 70 2.782 11.439 -4.980 180 2HB LYS 70 2HB LYS 70 2.731 12.212 -3.410 181 1HG LYS 70 1HG LYS 70 4.012 10.223 -2.463 182 2HG LYS 70 2HG LYS 70 4.173 9.609 -4.098 183 1HD LYS 70 1HD LYS 70 5.148 12.016 -4.627 184 2HD LYS 70 2HD LYS 70 5.383 12.115 -2.893 185 1HE LYS 70 1HE LYS 70 6.759 10.062 -2.916 186 2HE LYS 70 2HE LYS 70 6.435 9.825 -4.621 187 1HZ LYS 70 1HZ LYS 70 8.228 11.664 -3.359 188 2HZ LYS 70 2HZ LYS 70 8.311 10.976 -4.838 189 3HZ LYS 70 3HZ LYS 70 7.386 12.300 -4.605 190 H ALA 71 H ALA 71 2.993 8.445 -2.670 191 HA ALA 71 HA ALA 71 2.987 6.789 -4.875 192 1HB ALA 71 1HB ALA 71 3.703 5.052 -3.258 193 2HB ALA 71 2HB ALA 71 4.534 6.599 -2.972 194 3HB ALA 71 3HB ALA 71 3.193 6.101 -1.915 195 H VAL 72 H VAL 72 0.685 7.031 -2.113 196 HA VAL 72 HA VAL 72 -0.821 4.772 -2.754 197 HB VAL 72 HB VAL 72 -1.346 7.333 -1.270 198 1HG1 VAL 72 1HG1 VAL 72 -3.310 5.194 -2.036 199 2HG1 VAL 72 2HG1 VAL 72 -3.443 5.972 -0.440 200 3HG1 VAL 72 3HG1 VAL 72 -3.530 6.956 -1.920 201 1HG2 VAL 72 1HG2 VAL 72 -0.854 6.161 0.615 202 2HG2 VAL 72 2HG2 VAL 72 -1.558 4.648 -0.007 203 3HG2 VAL 72 3HG2 VAL 72 0.065 5.157 -0.534 204 H ARG 73 H ARG 73 -1.801 8.232 -3.295 205 HA ARG 73 HA ARG 73 -3.882 7.734 -4.891 206 1HB ARG 73 1HB ARG 73 -2.890 9.993 -4.025 207 2HB ARG 73 2HB ARG 73 -1.940 10.008 -5.499 208 1HG ARG 73 1HG ARG 73 -4.589 9.395 -6.331 209 2HG ARG 73 2HG ARG 73 -4.769 10.654 -5.125 210 1HD ARG 73 1HD ARG 73 -4.460 11.874 -7.137 211 2HD ARG 73 2HD ARG 73 -2.869 11.908 -6.404 212 HE ARG 73 HE ARG 73 -2.948 9.584 -8.015 213 1HH1 ARG 73 2HH2 ARG 73 -3.065 13.077 -8.423 214 2HH1 ARG 73 1HH2 ARG 73 -2.472 13.036 -10.050 215 1HH2 ARG 73 2HH1 ARG 73 -2.166 9.528 -10.163 216 2HH2 ARG 73 1HH1 ARG 73 -1.933 11.005 -11.037 217 H GLY 74 H GLY 74 -0.412 7.621 -5.719 218 1HA GLY 74 1HA GLY 74 -0.775 7.654 -8.557 219 2HA GLY 74 2HA GLY 74 0.686 7.272 -7.666 220 H ALA 75 H ALA 75 -0.607 5.160 -5.984 221 HA ALA 75 HA ALA 75 -0.208 3.034 -7.865 222 1HB ALA 75 1HB ALA 75 -0.527 1.634 -5.792 223 2HB ALA 75 2HB ALA 75 0.752 2.864 -5.649 224 3HB ALA 75 3HB ALA 75 -0.835 3.137 -4.889 225 H THR 76 H THR 76 -2.901 4.822 -6.488 226 HA THR 76 HA THR 76 -4.747 2.754 -7.491 227 HB THR 76 HB THR 76 -6.310 3.663 -5.763 228 HG1 THR 76 1HG THR 76 -4.000 5.155 -4.827 229 1HG2 THR 76 1HG2 THR 76 -3.504 3.097 -4.670 230 2HG2 THR 76 2HG2 THR 76 -4.988 3.130 -3.687 231 3HG2 THR 76 3HG2 THR 76 -4.780 1.886 -4.943 232 H GLY 77 H GLY 77 -5.049 6.277 -6.721 233 1HA GLY 77 1HA GLY 77 -5.109 7.796 -8.666 234 2HA GLY 77 2HA GLY 77 -6.131 6.612 -9.457 235 H LEU 78 H LEU 78 -6.670 6.742 -6.040 236 HA LEU 78 HA LEU 78 -9.280 7.783 -6.407 237 1HB LEU 78 1HB LEU 78 -7.632 6.990 -4.019 238 2HB LEU 78 2HB LEU 78 -9.219 7.711 -3.842 239 HG LEU 78 HG LEU 78 -8.780 5.237 -5.518 240 1HD1 LEU 78 1HD1 LEU 78 -9.547 3.940 -3.517 241 2HD1 LEU 78 2HD1 LEU 78 -7.914 4.634 -3.374 242 3HD1 LEU 78 3HD1 LEU 78 -9.284 5.404 -2.538 243 1HD2 LEU 78 1HD2 LEU 78 -10.869 6.256 -5.978 244 2HD2 LEU 78 2HD2 LEU 78 -11.204 4.877 -4.902 245 3HD2 LEU 78 3HD2 LEU 78 -11.198 6.534 -4.251 246 H GLY 79 H GLY 79 -10.171 9.736 -5.394 247 1HA GLY 79 1HA GLY 79 -8.849 12.053 -6.067 248 2HA GLY 79 2HA GLY 79 -10.167 11.933 -4.917 249 H LEU 80 H LEU 80 -7.518 13.537 -5.008 250 HA LEU 80 HA LEU 80 -5.618 12.738 -3.310 251 1HB LEU 80 1HB LEU 80 -6.094 14.998 -4.535 252 2HB LEU 80 2HB LEU 80 -6.765 15.486 -2.992 253 HG LEU 80 HG LEU 80 -4.379 14.496 -2.163 254 1HD1 LEU 80 1HD1 LEU 80 -2.688 15.508 -3.802 255 2HD1 LEU 80 2HD1 LEU 80 -3.409 13.934 -4.217 256 3HD1 LEU 80 3HD1 LEU 80 -3.995 15.418 -5.009 257 1HD2 LEU 80 1HD2 LEU 80 -5.197 16.618 -1.463 258 2HD2 LEU 80 2HD2 LEU 80 -3.593 16.885 -2.185 259 3HD2 LEU 80 3HD2 LEU 80 -5.061 17.289 -3.106 260 H LYS 81 H LYS 81 -8.867 14.014 -2.369 261 HA LYS 81 HA LYS 81 -8.407 13.980 0.376 262 1HB LYS 81 1HB LYS 81 -10.242 15.209 -0.567 263 2HB LYS 81 2HB LYS 81 -10.943 13.763 -1.266 264 1HG LYS 81 1HG LYS 81 -12.157 14.308 0.785 265 2HG LYS 81 2HG LYS 81 -11.269 12.820 1.039 266 1HD LYS 81 1HD LYS 81 -9.620 13.881 2.393 267 2HD LYS 81 2HD LYS 81 -10.009 15.478 1.786 268 1HE LYS 81 1HE LYS 81 -12.234 14.017 3.171 269 2HE LYS 81 2HE LYS 81 -10.903 14.533 4.186 270 1HZ LYS 81 1HZ LYS 81 -11.191 16.756 3.362 271 2HZ LYS 81 2HZ LYS 81 -12.393 16.291 2.361 272 3HZ LYS 81 3HZ LYS 81 -12.605 16.217 3.978 273 H GLU 82 H GLU 82 -10.364 11.578 -1.531 274 HA GLU 82 HA GLU 82 -10.746 9.765 0.357 275 1HB GLU 82 1HB GLU 82 -10.049 9.327 -2.573 276 2HB GLU 82 2HB GLU 82 -10.581 8.017 -1.537 277 1HG GLU 82 1HG GLU 82 -12.693 8.635 -2.144 278 2HG GLU 82 2HG GLU 82 -12.497 9.936 -0.987 279 H ALA 83 H ALA 83 -7.733 10.095 -1.620 280 HA ALA 83 HA ALA 83 -6.480 7.804 -0.645 281 1HB ALA 83 1HB ALA 83 -5.660 10.342 -2.025 282 2HB ALA 83 2HB ALA 83 -4.387 9.310 -1.328 283 3HB ALA 83 3HB ALA 83 -5.495 8.653 -2.557 284 H LYS 84 H LYS 84 -6.380 11.256 0.449 285 HA LYS 84 HA LYS 84 -4.501 10.896 2.454 286 1HB LYS 84 1HB LYS 84 -5.324 13.065 1.506 287 2HB LYS 84 2HB LYS 84 -6.806 12.865 2.418 288 1HG LYS 84 1HG LYS 84 -5.105 12.495 4.463 289 2HG LYS 84 2HG LYS 84 -4.011 13.395 3.430 290 1HD LYS 84 1HD LYS 84 -5.531 15.295 3.329 291 2HD LYS 84 2HD LYS 84 -6.821 14.382 4.088 292 1HE LYS 84 1HE LYS 84 -5.493 14.215 6.189 293 2HE LYS 84 2HE LYS 84 -4.161 15.065 5.432 294 1HZ LYS 84 1HZ LYS 84 -5.645 16.474 6.767 295 2HZ LYS 84 2HZ LYS 84 -5.502 16.986 5.224 296 3HZ LYS 84 3HZ LYS 84 -6.854 16.205 5.703 297 H ASP 85 H ASP 85 -8.128 10.810 2.642 298 HA ASP 85 HA ASP 85 -8.333 10.345 5.292 299 1HB ASP 85 1HB ASP 85 -9.992 9.119 3.039 300 2HB ASP 85 2HB ASP 85 -10.491 9.159 4.718 301 H LEU 86 H LEU 86 -7.843 8.003 2.567 302 HA LEU 86 HA LEU 86 -8.133 5.653 3.970 303 1HB LEU 86 1HB LEU 86 -7.984 5.931 1.515 304 2HB LEU 86 2HB LEU 86 -6.263 6.225 1.667 305 HG LEU 86 HG LEU 86 -7.326 3.692 2.836 306 1HD1 LEU 86 1HD1 LEU 86 -6.773 3.797 -0.119 307 2HD1 LEU 86 2HD1 LEU 86 -7.609 2.549 0.835 308 3HD1 LEU 86 3HD1 LEU 86 -8.403 4.111 0.520 309 1HD2 LEU 86 1HD2 LEU 86 -4.818 4.358 1.269 310 2HD2 LEU 86 2HD2 LEU 86 -4.956 4.283 3.042 311 3HD2 LEU 86 3HD2 LEU 86 -5.185 2.811 2.068 312 H VAL 87 H VAL 87 -5.097 7.547 3.347 313 HA VAL 87 HA VAL 87 -3.433 5.847 4.778 314 HB VAL 87 HB VAL 87 -3.216 8.825 4.295 315 1HG1 VAL 87 1HG1 VAL 87 -0.887 8.647 4.704 316 2HG1 VAL 87 2HG1 VAL 87 -1.680 7.798 6.054 317 3HG1 VAL 87 3HG1 VAL 87 -0.946 6.868 4.725 318 1HG2 VAL 87 1HG2 VAL 87 -1.548 7.347 2.543 319 2HG2 VAL 87 2HG2 VAL 87 -3.156 6.589 2.483 320 3HG2 VAL 87 3HG2 VAL 87 -2.977 8.325 2.135 321 H GLU 88 H GLU 88 -5.458 8.641 5.798 322 HA GLU 88 HA GLU 88 -4.322 8.664 8.389 323 1HB GLU 88 1HB GLU 88 -6.689 10.048 7.087 324 2HB GLU 88 2HB GLU 88 -6.391 10.211 8.806 325 1HG GLU 88 1HG GLU 88 -3.993 10.626 7.078 326 2HG GLU 88 2HG GLU 88 -5.261 11.819 6.872 327 H SER 89 H SER 89 -6.450 6.547 6.834 328 HA SER 89 HA SER 89 -7.859 5.989 9.318 329 1HB SER 89 1HB SER 89 -8.467 5.180 6.441 330 2HB SER 89 2HB SER 89 -9.377 4.606 7.823 331 HG SER 89 HG SER 89 -10.095 6.711 8.267 332 H ALA 90 H ALA 90 -4.985 5.271 8.439 333 HA ALA 90 HA ALA 90 -4.850 2.564 7.806 334 1HB ALA 90 1HB ALA 90 -2.971 4.420 9.316 335 2HB ALA 90 2HB ALA 90 -2.530 2.780 8.783 336 3HB ALA 90 3HB ALA 90 -2.939 4.027 7.580 337 HA PRO 91 HA PRO 91 -3.620 0.995 8.296 338 1HB PRO 91 1HB PRO 91 -4.222 -1.664 8.479 339 2HB PRO 91 2HB PRO 91 -2.831 -0.941 9.261 340 1HG PRO 91 1HG PRO 91 -5.381 -1.828 10.464 341 2HG PRO 91 2HG PRO 91 -3.849 -1.509 11.251 342 1HD PRO 91 1HD PRO 91 -6.161 0.188 11.245 343 2HD PRO 91 2HD PRO 91 -4.592 0.557 11.933 344 H ALA 92 H ALA 92 -4.091 0.211 6.154 345 HA ALA 92 HA ALA 92 -6.895 -0.269 5.659 346 1HB ALA 92 1HB ALA 92 -6.835 1.638 3.904 347 2HB ALA 92 2HB ALA 92 -7.055 2.088 5.613 348 3HB ALA 92 3HB ALA 92 -5.461 2.271 4.842 349 H ALA 93 H ALA 93 -7.206 -1.436 3.742 350 HA ALA 93 HA ALA 93 -4.871 -2.622 2.632 351 1HB ALA 93 1HB ALA 93 -7.770 -2.731 1.705 352 2HB ALA 93 2HB ALA 93 -6.473 -3.879 1.292 353 3HB ALA 93 3HB ALA 93 -7.069 -3.773 2.966 354 H LEU 94 H LEU 94 -3.709 -2.042 0.846 355 HA LEU 94 HA LEU 94 -4.646 0.319 -0.584 356 1HB LEU 94 1HB LEU 94 -2.035 -0.890 0.063 357 2HB LEU 94 2HB LEU 94 -2.159 -0.215 -1.548 358 HG LEU 94 HG LEU 94 -2.775 1.299 1.005 359 1HD1 LEU 94 1HD1 LEU 94 -0.315 1.497 -0.752 360 2HD1 LEU 94 2HD1 LEU 94 -0.652 2.411 0.738 361 3HD1 LEU 94 3HD1 LEU 94 -0.390 0.652 0.812 362 1HD2 LEU 94 1HD2 LEU 94 -2.164 2.932 -1.293 363 2HD2 LEU 94 2HD2 LEU 94 -3.522 1.839 -1.652 364 3HD2 LEU 94 3HD2 LEU 94 -3.605 2.931 -0.249 365 H LYS 95 H LYS 95 -3.697 -3.120 -1.048 366 HA LYS 95 HA LYS 95 -5.178 -3.051 -3.556 367 1HB LYS 95 1HB LYS 95 -2.527 -4.463 -3.514 368 2HB LYS 95 2HB LYS 95 -3.472 -3.908 -4.881 369 1HG LYS 95 1HG LYS 95 -2.290 -1.946 -2.874 370 2HG LYS 95 2HG LYS 95 -1.350 -2.539 -4.229 371 1HD LYS 95 1HD LYS 95 -4.087 -1.551 -4.917 372 2HD LYS 95 2HD LYS 95 -2.977 -0.325 -4.335 373 1HE LYS 95 1HE LYS 95 -1.375 -0.797 -6.085 374 2HE LYS 95 2HE LYS 95 -2.182 -2.289 -6.525 375 1HZ LYS 95 1HZ LYS 95 -3.692 -1.184 -7.709 376 2HZ LYS 95 2HZ LYS 95 -3.835 0.048 -6.648 377 3HZ LYS 95 3HZ LYS 95 -2.604 0.033 -7.721 378 H GLU 96 H GLU 96 -5.917 -5.203 -4.231 379 HA GLU 96 HA GLU 96 -5.805 -7.095 -2.015 380 1HB GLU 96 1HB GLU 96 -8.263 -6.367 -3.670 381 2HB GLU 96 2HB GLU 96 -8.206 -7.657 -2.487 382 1HG GLU 96 1HG GLU 96 -7.448 -5.864 -0.777 383 2HG GLU 96 2HG GLU 96 -7.890 -4.670 -1.981 384 H GLY 97 H GLY 97 -5.147 -9.121 -2.625 385 1HA GLY 97 1HA GLY 97 -4.303 -10.698 -4.016 386 2HA GLY 97 2HA GLY 97 -5.918 -10.648 -4.695 387 H VAL 98 H VAL 98 -2.638 -9.156 -4.921 388 HA VAL 98 HA VAL 98 -3.189 -8.744 -7.776 389 HB VAL 98 HB VAL 98 -1.731 -6.768 -7.663 390 1HG1 VAL 98 1HG1 VAL 98 -3.350 -5.258 -6.699 391 2HG1 VAL 98 2HG1 VAL 98 -4.218 -6.600 -7.484 392 3HG1 VAL 98 3HG1 VAL 98 -4.047 -6.566 -5.712 393 1HG2 VAL 98 1HG2 VAL 98 -1.854 -7.147 -4.653 394 2HG2 VAL 98 2HG2 VAL 98 -0.419 -7.403 -5.675 395 3HG2 VAL 98 3HG2 VAL 98 -1.119 -5.775 -5.514 396 H SER 99 H SER 99 -0.997 -8.566 -9.025 397 HA SER 99 HA SER 99 0.303 -10.969 -8.670 398 1HB SER 99 1HB SER 99 1.893 -10.116 -10.380 399 2HB SER 99 2HB SER 99 0.229 -9.802 -10.826 400 HG SER 99 HG SER 99 0.551 -7.674 -10.689 401 H LYS 100 H LYS 100 2.309 -11.553 -7.723 402 HA LYS 100 HA LYS 100 3.063 -10.250 -5.431 403 1HB LYS 100 1HB LYS 100 3.562 -12.632 -6.213 404 2HB LYS 100 2HB LYS 100 4.912 -11.961 -7.106 405 1HG LYS 100 1HG LYS 100 4.539 -11.361 -4.147 406 2HG LYS 100 2HG LYS 100 5.343 -12.825 -4.676 407 1HD LYS 100 1HD LYS 100 6.476 -10.675 -6.197 408 2HD LYS 100 2HD LYS 100 6.400 -10.124 -4.536 409 1HE LYS 100 1HE LYS 100 7.405 -12.508 -3.966 410 2HE LYS 100 2HE LYS 100 7.859 -12.535 -5.657 411 1HZ LYS 100 1HZ LYS 100 9.638 -11.520 -4.724 412 2HZ LYS 100 2HZ LYS 100 8.759 -10.191 -5.086 413 3HZ LYS 100 3HZ LYS 100 8.784 -10.763 -3.557 414 H ASP 101 H ASP 101 4.340 -9.909 -8.786 415 HA ASP 101 HA ASP 101 6.561 -8.463 -8.199 416 1HB ASP 101 1HB ASP 101 4.640 -8.418 -10.552 417 2HB ASP 101 2HB ASP 101 6.040 -7.363 -10.535 418 H ASP 102 H ASP 102 3.127 -7.427 -8.667 419 HA ASP 102 HA ASP 102 3.640 -4.700 -8.664 420 1HB ASP 102 1HB ASP 102 1.207 -6.406 -8.037 421 2HB ASP 102 2HB ASP 102 1.129 -4.666 -7.847 422 H ALA 103 H ALA 103 2.957 -7.146 -6.112 423 HA ALA 103 HA ALA 103 2.531 -5.375 -3.991 424 1HB ALA 103 1HB ALA 103 2.006 -7.845 -4.094 425 2HB ALA 103 2HB ALA 103 3.747 -8.162 -3.888 426 3HB ALA 103 3HB ALA 103 2.836 -7.328 -2.606 427 H GLU 104 H GLU 104 5.515 -6.990 -5.257 428 HA GLU 104 HA GLU 104 7.137 -5.937 -3.236 429 1HB GLU 104 1HB GLU 104 7.785 -7.940 -4.476 430 2HB GLU 104 2HB GLU 104 7.790 -7.062 -5.992 431 1HG GLU 104 1HG GLU 104 9.700 -5.719 -5.309 432 2HG GLU 104 2HG GLU 104 9.589 -6.287 -3.655 433 H ALA 105 H ALA 105 5.881 -4.673 -6.274 434 HA ALA 105 HA ALA 105 7.881 -2.698 -6.657 435 1HB ALA 105 1HB ALA 105 5.009 -2.855 -7.657 436 2HB ALA 105 2HB ALA 105 6.298 -1.822 -8.318 437 3HB ALA 105 3HB ALA 105 6.419 -3.593 -8.453 438 H LEU 106 H LEU 106 4.530 -2.685 -5.260 439 HA LEU 106 HA LEU 106 4.605 0.048 -4.608 440 1HB LEU 106 1HB LEU 106 2.544 -1.163 -4.927 441 2HB LEU 106 2HB LEU 106 2.914 -2.236 -3.590 442 HG LEU 106 HG LEU 106 1.214 -0.485 -3.080 443 1HD1 LEU 106 1HD1 LEU 106 2.953 -1.599 -1.431 444 2HD1 LEU 106 2HD1 LEU 106 3.530 0.079 -1.276 445 3HD1 LEU 106 3HD1 LEU 106 1.839 -0.321 -0.887 446 1HD2 LEU 106 1HD2 LEU 106 2.291 1.312 -4.448 447 2HD2 LEU 106 2HD2 LEU 106 1.813 1.815 -2.809 448 3HD2 LEU 106 3HD2 LEU 106 3.522 1.474 -3.172 449 H LYS 107 H LYS 107 5.324 -2.965 -2.748 450 HA LYS 107 HA LYS 107 5.688 -1.780 -0.286 451 1HB LYS 107 1HB LYS 107 5.516 -4.210 -0.718 452 2HB LYS 107 2HB LYS 107 7.110 -4.197 -1.446 453 1HG LYS 107 1HG LYS 107 8.155 -3.532 0.650 454 2HG LYS 107 2HG LYS 107 6.602 -3.211 1.396 455 1HD LYS 107 1HD LYS 107 6.082 -5.495 1.635 456 2HD LYS 107 2HD LYS 107 7.120 -5.982 0.310 457 1HE LYS 107 1HE LYS 107 8.285 -4.781 2.852 458 2HE LYS 107 2HE LYS 107 7.913 -6.490 2.751 459 1HZ LYS 107 1HZ LYS 107 9.720 -5.012 0.966 460 2HZ LYS 107 2HZ LYS 107 10.154 -6.105 2.099 461 3HZ LYS 107 3HZ LYS 107 9.323 -6.585 0.777 462 H LYS 108 H LYS 108 8.082 -2.358 -2.945 463 HA LYS 108 HA LYS 108 10.309 -1.431 -1.634 464 1HB LYS 108 1HB LYS 108 9.468 -1.643 -4.499 465 2HB LYS 108 2HB LYS 108 10.920 -0.735 -4.129 466 1HG LYS 108 1HG LYS 108 11.918 -2.654 -2.987 467 2HG LYS 108 2HG LYS 108 10.420 -3.557 -3.081 468 1HD LYS 108 1HD LYS 108 11.666 -4.443 -4.880 469 2HD LYS 108 2HD LYS 108 10.633 -3.271 -5.674 470 1HE LYS 108 1HE LYS 108 12.615 -1.581 -5.270 471 2HE LYS 108 2HE LYS 108 13.583 -3.016 -4.994 472 1HZ LYS 108 1HZ LYS 108 12.538 -3.769 -7.197 473 2HZ LYS 108 2HZ LYS 108 12.234 -2.184 -7.434 474 3HZ LYS 108 3HZ LYS 108 13.771 -2.699 -7.230 475 H ALA 109 H ALA 109 7.685 0.381 -3.290 476 HA ALA 109 HA ALA 109 9.027 2.859 -3.238 477 1HB ALA 109 1HB ALA 109 7.000 3.718 -4.078 478 2HB ALA 109 2HB ALA 109 7.004 2.033 -4.649 479 3HB ALA 109 3HB ALA 109 6.021 2.492 -3.236 480 H LEU 110 H LEU 110 6.790 1.152 -0.995 481 HA LEU 110 HA LEU 110 6.426 3.331 0.737 482 1HB LEU 110 1HB LEU 110 6.004 0.379 0.847 483 2HB LEU 110 2HB LEU 110 5.971 1.278 2.350 484 HG LEU 110 HG LEU 110 3.782 0.818 0.935 485 1HD1 LEU 110 1HD1 LEU 110 4.000 2.006 3.126 486 2HD1 LEU 110 2HD1 LEU 110 4.230 3.521 2.220 487 3HD1 LEU 110 3HD1 LEU 110 2.702 2.621 2.075 488 1HD2 LEU 110 1HD2 LEU 110 4.566 3.511 -0.187 489 2HD2 LEU 110 2HD2 LEU 110 4.792 1.987 -1.077 490 3HD2 LEU 110 3HD2 LEU 110 3.158 2.503 -0.597 491 H GLU 111 H GLU 111 8.797 0.604 0.664 492 HA GLU 111 HA GLU 111 9.918 1.291 3.128 493 1HB GLU 111 1HB GLU 111 10.977 -0.363 0.798 494 2HB GLU 111 2HB GLU 111 11.809 -0.232 2.335 495 1HG GLU 111 1HG GLU 111 9.427 -0.923 3.333 496 2HG GLU 111 2HG GLU 111 9.158 -1.550 1.720 497 H GLU 112 H GLU 112 10.591 2.226 -0.262 498 HA GLU 112 HA GLU 112 13.065 3.355 0.130 499 1HB GLU 112 1HB GLU 112 10.819 3.804 -1.837 500 2HB GLU 112 2HB GLU 112 12.192 4.894 -1.860 501 1HG GLU 112 1HG GLU 112 12.700 1.912 -1.812 502 2HG GLU 112 2HG GLU 112 12.201 2.657 -3.317 503 H ALA 113 H ALA 113 9.767 4.616 0.746 504 HA ALA 113 HA ALA 113 10.753 7.261 1.308 505 1HB ALA 113 1HB ALA 113 8.041 5.901 1.478 506 2HB ALA 113 2HB ALA 113 8.312 7.595 1.953 507 3HB ALA 113 3HB ALA 113 8.598 7.084 0.272 508 H GLY 114 H GLY 114 9.916 4.261 3.033 509 1HA GLY 114 1HA GLY 114 10.929 3.820 5.128 510 2HA GLY 114 2HA GLY 114 10.871 5.527 5.517 511 H ALA 115 H ALA 115 8.527 2.947 4.454 512 HA ALA 115 HA ALA 115 6.783 3.837 6.642 513 1HB ALA 115 1HB ALA 115 4.862 3.650 5.162 514 2HB ALA 115 2HB ALA 115 6.049 4.752 4.424 515 3HB ALA 115 3HB ALA 115 5.896 3.080 3.830 516 H GLU 116 H GLU 116 5.090 2.095 7.157 517 HA GLU 116 HA GLU 116 6.483 -0.451 7.018 518 1HB GLU 116 1HB GLU 116 5.935 0.586 9.273 519 2HB GLU 116 2HB GLU 116 4.235 0.376 8.905 520 1HG GLU 116 1HG GLU 116 4.303 -1.913 9.201 521 2HG GLU 116 2HG GLU 116 5.908 -2.065 8.513 522 H VAL 117 H VAL 117 5.664 -2.081 5.767 523 HA VAL 117 HA VAL 117 2.910 -1.713 4.810 524 HB VAL 117 HB VAL 117 5.203 -3.132 3.444 525 1HG1 VAL 117 1HG1 VAL 117 3.163 -4.007 2.624 526 2HG1 VAL 117 2HG1 VAL 117 2.387 -2.405 2.604 527 3HG1 VAL 117 3HG1 VAL 117 3.669 -2.789 1.429 528 1HG2 VAL 117 1HG2 VAL 117 5.266 -1.149 1.934 529 2HG2 VAL 117 2HG2 VAL 117 4.149 -0.313 3.039 530 3HG2 VAL 117 3HG2 VAL 117 5.771 -0.786 3.602 531 H GLU 118 H GLU 118 1.808 -3.845 4.220 532 HA GLU 118 HA GLU 118 2.830 -6.015 5.859 533 1HB GLU 118 1HB GLU 118 1.143 -5.233 7.300 534 2HB GLU 118 2HB GLU 118 0.097 -4.736 5.985 535 1HG GLU 118 1HG GLU 118 -0.517 -7.014 5.472 536 2HG GLU 118 2HG GLU 118 0.775 -7.666 6.461 537 H VAL 119 H VAL 119 2.798 -7.994 4.821 538 HA VAL 119 HA VAL 119 1.330 -8.064 2.276 539 HB VAL 119 HB VAL 119 3.856 -9.508 3.108 540 1HG1 VAL 119 1HG1 VAL 119 2.332 -9.491 0.482 541 2HG1 VAL 119 2HG1 VAL 119 3.963 -10.167 0.705 542 3HG1 VAL 119 3HG1 VAL 119 2.580 -10.875 1.572 543 1HG2 VAL 119 1HG2 VAL 119 4.986 -8.069 1.465 544 2HG2 VAL 119 2HG2 VAL 119 3.457 -7.211 1.161 545 3HG2 VAL 119 3HG2 VAL 119 4.230 -7.108 2.760 546 H LYS 120 H LYS 120 -0.370 -9.436 2.190 547 HA LYS 120 HA LYS 120 -0.289 -11.770 3.955 548 1HB LYS 120 1HB LYS 120 -2.152 -9.498 4.086 549 2HB LYS 120 2HB LYS 120 -2.954 -11.051 3.972 550 1HG LYS 120 1HG LYS 120 -1.582 -11.903 5.884 551 2HG LYS 120 2HG LYS 120 -0.774 -10.351 5.998 552 1HD LYS 120 1HD LYS 120 -3.119 -9.305 6.306 553 2HD LYS 120 2HD LYS 120 -3.724 -10.940 6.498 554 1HE LYS 120 1HE LYS 120 -2.427 -11.312 8.485 555 2HE LYS 120 2HE LYS 120 -1.388 -9.937 8.170 556 1HZ LYS 120 1HZ LYS 120 -3.297 -8.504 8.511 557 2HZ LYS 120 2HZ LYS 120 -4.247 -9.792 8.832 558 3HZ LYS 120 3HZ LYS 120 -3.012 -9.421 9.833 Start of MODEL 14 1 1H ALA 47 H ALA 47 -1.725 -28.919 0.622 2 HA ALA 47 HA ALA 47 0.255 -29.751 -1.233 3 1HB ALA 47 1HB ALA 47 -1.508 -28.993 -2.853 4 2HB ALA 47 2HB ALA 47 -2.112 -30.135 -1.628 5 3HB ALA 47 3HB ALA 47 -2.461 -28.397 -1.473 6 H ALA 48 H ALA 48 1.477 -28.471 -2.667 7 HA ALA 48 HA ALA 48 2.082 -25.853 -1.650 8 1HB ALA 48 1HB ALA 48 3.787 -27.523 -2.454 9 2HB ALA 48 2HB ALA 48 3.153 -27.301 -4.102 10 3HB ALA 48 3HB ALA 48 3.903 -25.933 -3.246 11 H GLU 49 H GLU 49 -0.013 -24.812 -2.003 12 HA GLU 49 HA GLU 49 -1.126 -24.706 -4.563 13 1HB GLU 49 1HB GLU 49 -1.466 -22.937 -2.107 14 2HB GLU 49 2HB GLU 49 -2.421 -22.736 -3.562 15 1HG GLU 49 1HG GLU 49 -2.233 -25.410 -2.113 16 2HG GLU 49 2HG GLU 49 -3.437 -24.207 -1.691 17 H GLU 50 H GLU 50 -1.511 -22.434 -5.678 18 HA GLU 50 HA GLU 50 1.122 -21.438 -6.206 19 1HB GLU 50 1HB GLU 50 -1.367 -21.679 -7.648 20 2HB GLU 50 2HB GLU 50 -0.888 -19.994 -7.670 21 1HG GLU 50 1HG GLU 50 0.190 -20.963 -9.571 22 2HG GLU 50 2HG GLU 50 1.459 -20.788 -8.375 23 H LYS 51 H LYS 51 1.739 -19.173 -6.078 24 HA LYS 51 HA LYS 51 -0.034 -17.578 -4.372 25 1HB LYS 51 1HB LYS 51 2.094 -16.734 -3.263 26 2HB LYS 51 2HB LYS 51 1.563 -18.347 -2.832 27 1HG LYS 51 1HG LYS 51 3.407 -18.193 -5.183 28 2HG LYS 51 2HG LYS 51 4.114 -17.742 -3.645 29 1HD LYS 51 1HD LYS 51 3.459 -19.889 -2.645 30 2HD LYS 51 2HD LYS 51 2.557 -20.332 -4.081 31 1HE LYS 51 1HE LYS 51 4.440 -20.979 -5.221 32 2HE LYS 51 2HE LYS 51 5.372 -19.605 -4.662 33 1HZ LYS 51 1HZ LYS 51 4.756 -21.985 -3.051 34 2HZ LYS 51 2HZ LYS 51 6.190 -21.674 -3.769 35 3HZ LYS 51 3HZ LYS 51 5.658 -20.714 -2.559 36 H THR 52 H THR 52 -0.814 -16.307 -6.064 37 HA THR 52 HA THR 52 1.195 -14.527 -7.231 38 HB THR 52 HB THR 52 0.056 -14.831 -9.465 39 HG1 THR 52 1HG THR 52 -1.146 -17.051 -7.968 40 1HG2 THR 52 1HG2 THR 52 0.911 -17.066 -9.993 41 2HG2 THR 52 2HG2 THR 52 2.051 -16.311 -8.854 42 3HG2 THR 52 3HG2 THR 52 0.887 -17.526 -8.274 43 H GLU 53 H GLU 53 -1.042 -14.573 -5.066 44 HA GLU 53 HA GLU 53 -2.218 -12.106 -6.022 45 1HB GLU 53 1HB GLU 53 -3.759 -14.518 -4.997 46 2HB GLU 53 2HB GLU 53 -4.437 -12.903 -4.942 47 1HG GLU 53 1HG GLU 53 -4.021 -12.693 -7.433 48 2HG GLU 53 2HG GLU 53 -3.472 -14.357 -7.448 49 H PHE 54 H PHE 54 -1.124 -10.779 -4.579 50 HA PHE 54 HA PHE 54 -1.388 -11.508 -1.747 51 1HB PHE 54 1HB PHE 54 0.643 -9.778 -3.283 52 2HB PHE 54 2HB PHE 54 0.685 -10.021 -1.548 53 HD1 PHE 54 1HD PHE 54 1.810 -11.862 -0.633 54 HD2 PHE 54 2HD PHE 54 0.910 -11.836 -4.780 55 HE1 PHE 54 1HE PHE 54 3.233 -13.904 -0.956 56 HE2 PHE 54 2HE PHE 54 2.333 -13.878 -5.101 57 HZ PHE 54 HZ PHE 54 3.478 -14.889 -3.185 58 H ASP 55 H ASP 55 -1.806 -9.765 -0.222 59 HA ASP 55 HA ASP 55 -3.235 -7.601 -1.530 60 1HB ASP 55 1HB ASP 55 -3.349 -8.527 1.378 61 2HB ASP 55 2HB ASP 55 -4.392 -7.323 0.648 62 H VAL 56 H VAL 56 -2.674 -5.407 -1.017 63 HA VAL 56 HA VAL 56 -0.250 -5.128 0.613 64 HB VAL 56 HB VAL 56 -1.393 -3.419 -1.606 65 1HG1 VAL 56 1HG1 VAL 56 0.774 -2.161 -1.399 66 2HG1 VAL 56 2HG1 VAL 56 -0.341 -1.947 -0.029 67 3HG1 VAL 56 3HG1 VAL 56 1.064 -3.027 0.129 68 1HG2 VAL 56 1HG2 VAL 56 0.710 -4.084 -2.789 69 2HG2 VAL 56 2HG2 VAL 56 1.038 -5.231 -1.468 70 3HG2 VAL 56 3HG2 VAL 56 -0.408 -5.435 -2.486 71 H ILE 57 H ILE 57 -0.750 -4.580 2.677 72 HA ILE 57 HA ILE 57 -2.969 -2.691 3.032 73 HB ILE 57 HB ILE 57 -1.801 -4.786 4.860 74 1HG1 ILE 57 1HG1 ILE 57 -4.592 -5.014 4.661 75 2HG1 ILE 57 2HG1 ILE 57 -4.053 -4.694 3.026 76 1HG2 ILE 57 1HG2 ILE 57 -2.230 -2.833 6.209 77 2HG2 ILE 57 2HG2 ILE 57 -3.844 -2.638 5.485 78 3HG2 ILE 57 3HG2 ILE 57 -3.493 -4.049 6.513 79 1HD1 ILE 57 1HD1 ILE 57 -2.967 -6.874 4.867 80 2HD1 ILE 57 2HD1 ILE 57 -4.029 -7.117 3.458 81 3HD1 ILE 57 3HD1 ILE 57 -2.363 -6.532 3.229 82 H LEU 58 H LEU 58 -2.663 -0.835 4.353 83 HA LEU 58 HA LEU 58 0.172 -0.192 4.751 84 1HB LEU 58 1HB LEU 58 -0.977 1.212 3.131 85 2HB LEU 58 2HB LEU 58 -2.219 1.601 4.305 86 HG LEU 58 HG LEU 58 -0.471 2.693 5.727 87 1HD1 LEU 58 1HD1 LEU 58 1.676 3.315 4.566 88 2HD1 LEU 58 2HD1 LEU 58 1.529 1.605 5.041 89 3HD1 LEU 58 3HD1 LEU 58 1.287 2.081 3.342 90 1HD2 LEU 58 1HD2 LEU 58 -1.919 4.017 4.292 91 2HD2 LEU 58 2HD2 LEU 58 -0.283 4.716 4.343 92 3HD2 LEU 58 3HD2 LEU 58 -0.809 3.786 2.920 93 H LYS 59 H LYS 59 0.895 -0.236 6.803 94 HA LYS 59 HA LYS 59 -1.122 -0.261 8.909 95 1HB LYS 59 1HB LYS 59 1.688 -1.284 8.645 96 2HB LYS 59 2HB LYS 59 1.048 -0.943 10.240 97 1HG LYS 59 1HG LYS 59 -0.933 -2.412 9.741 98 2HG LYS 59 2HG LYS 59 -0.251 -2.775 8.167 99 1HD LYS 59 1HD LYS 59 0.381 -4.601 9.600 100 2HD LYS 59 2HD LYS 59 1.834 -3.648 9.364 101 1HE LYS 59 1HE LYS 59 0.286 -2.669 11.663 102 2HE LYS 59 2HE LYS 59 0.673 -4.370 11.838 103 1HZ LYS 59 1HZ LYS 59 2.633 -2.275 11.197 104 2HZ LYS 59 2HZ LYS 59 2.410 -2.927 12.678 105 3HZ LYS 59 3HZ LYS 59 2.968 -3.854 11.454 106 H ALA 60 H ALA 60 2.067 1.283 8.112 107 HA ALA 60 HA ALA 60 1.117 3.663 9.513 108 1HB ALA 60 1HB ALA 60 3.098 3.828 10.848 109 2HB ALA 60 2HB ALA 60 2.488 2.169 11.063 110 3HB ALA 60 3HB ALA 60 3.873 2.474 9.987 111 H ALA 61 H ALA 61 1.385 5.404 8.210 112 HA ALA 61 HA ALA 61 2.750 5.186 5.757 113 1HB ALA 61 1HB ALA 61 1.820 7.650 7.284 114 2HB ALA 61 2HB ALA 61 2.195 7.564 5.546 115 3HB ALA 61 3HB ALA 61 0.804 6.670 6.202 116 H GLY 62 H GLY 62 3.709 6.027 9.042 117 1HA GLY 62 1HA GLY 62 5.810 6.280 9.869 118 2HA GLY 62 2HA GLY 62 6.473 6.160 8.251 119 H ALA 63 H ALA 63 7.910 7.971 8.961 120 HA ALA 63 HA ALA 63 6.572 10.516 9.363 121 1HB ALA 63 1HB ALA 63 8.832 11.306 9.909 122 2HB ALA 63 2HB ALA 63 8.464 9.815 10.811 123 3HB ALA 63 3HB ALA 63 9.521 9.754 9.380 124 H ASN 64 H ASN 64 6.119 9.301 6.805 125 HA ASN 64 HA ASN 64 7.230 11.398 5.202 126 1HB ASN 64 1HB ASN 64 8.662 9.075 5.173 127 2HB ASN 64 2HB ASN 64 7.450 8.648 3.983 128 1HD2 ASN 64 1HD2 ASN 64 9.815 11.115 4.888 129 2HD2 ASN 64 2HD2 ASN 64 10.193 11.669 3.292 130 H LYS 65 H LYS 65 4.655 11.407 5.873 131 HA LYS 65 HA LYS 65 2.959 9.597 4.575 132 1HB LYS 65 1HB LYS 65 2.672 11.511 6.490 133 2HB LYS 65 2HB LYS 65 1.945 12.327 5.122 134 1HG LYS 65 1HG LYS 65 0.567 10.203 4.709 135 2HG LYS 65 2HG LYS 65 1.181 9.589 6.232 136 1HD LYS 65 1HD LYS 65 -0.279 12.259 5.973 137 2HD LYS 65 2HD LYS 65 -1.091 10.755 6.363 138 1HE LYS 65 1HE LYS 65 -0.597 11.159 8.543 139 2HE LYS 65 2HE LYS 65 1.078 10.817 8.159 140 1HZ LYS 65 1HZ LYS 65 1.387 13.130 7.645 141 2HZ LYS 65 2HZ LYS 65 -0.183 13.463 7.943 142 3HZ LYS 65 3HZ LYS 65 0.793 12.981 9.160 143 H VAL 66 H VAL 66 4.783 12.382 3.461 144 HA VAL 66 HA VAL 66 3.130 13.188 1.368 145 HB VAL 66 HB VAL 66 6.127 13.312 1.740 146 1HG1 VAL 66 1HG1 VAL 66 6.360 14.301 -0.248 147 2HG1 VAL 66 2HG1 VAL 66 4.696 13.791 -0.621 148 3HG1 VAL 66 3HG1 VAL 66 4.999 15.403 0.071 149 1HG2 VAL 66 1HG2 VAL 66 3.887 15.262 2.358 150 2HG2 VAL 66 2HG2 VAL 66 4.999 14.478 3.507 151 3HG2 VAL 66 3HG2 VAL 66 5.613 15.696 2.362 152 H ALA 67 H ALA 67 6.145 11.157 1.178 153 HA ALA 67 HA ALA 67 5.811 10.476 -1.477 154 1HB ALA 67 1HB ALA 67 7.435 8.694 -0.975 155 2HB ALA 67 2HB ALA 67 7.891 10.211 -0.162 156 3HB ALA 67 3HB ALA 67 7.131 8.896 0.768 157 H VAL 68 H VAL 68 4.528 8.966 1.526 158 HA VAL 68 HA VAL 68 3.619 6.606 0.405 159 HB VAL 68 HB VAL 68 2.752 8.296 2.741 160 1HG1 VAL 68 1HG1 VAL 68 0.723 7.203 2.129 161 2HG1 VAL 68 2HG1 VAL 68 1.563 5.667 1.807 162 3HG1 VAL 68 3HG1 VAL 68 1.418 6.270 3.477 163 1HG2 VAL 68 1HG2 VAL 68 4.943 7.121 2.823 164 2HG2 VAL 68 2HG2 VAL 68 3.798 6.552 4.062 165 3HG2 VAL 68 3HG2 VAL 68 4.091 5.573 2.605 166 H ILE 69 H ILE 69 1.671 9.603 1.104 167 HA ILE 69 HA ILE 69 -0.647 8.773 -0.047 168 HB ILE 69 HB ILE 69 0.627 11.455 0.331 169 1HG1 ILE 69 1HG1 ILE 69 -1.975 10.473 1.481 170 2HG1 ILE 69 2HG1 ILE 69 -0.453 9.930 2.156 171 1HG2 ILE 69 1HG2 ILE 69 -1.573 12.472 -0.336 172 2HG2 ILE 69 2HG2 ILE 69 -0.594 11.830 -1.677 173 3HG2 ILE 69 3HG2 ILE 69 -1.994 10.909 -1.076 174 1HD1 ILE 69 1HD1 ILE 69 -1.223 12.860 1.776 175 2HD1 ILE 69 2HD1 ILE 69 -1.339 11.966 3.311 176 3HD1 ILE 69 3HD1 ILE 69 0.253 12.255 2.567 177 H LYS 70 H LYS 70 2.314 10.012 -1.625 178 HA LYS 70 HA LYS 70 1.157 10.356 -4.165 179 1HB LYS 70 1HB LYS 70 4.002 9.989 -3.204 180 2HB LYS 70 2HB LYS 70 3.603 10.223 -4.893 181 1HG LYS 70 1HG LYS 70 2.134 12.218 -3.490 182 2HG LYS 70 2HG LYS 70 3.720 12.198 -2.746 183 1HD LYS 70 1HD LYS 70 3.329 12.300 -5.769 184 2HD LYS 70 2HD LYS 70 3.439 13.745 -4.785 185 1HE LYS 70 1HE LYS 70 5.684 13.007 -3.953 186 2HE LYS 70 2HE LYS 70 5.575 11.562 -4.939 187 1HZ LYS 70 1HZ LYS 70 6.718 13.705 -5.813 188 2HZ LYS 70 2HZ LYS 70 5.869 12.748 -6.826 189 3HZ LYS 70 3HZ LYS 70 5.200 14.121 -6.249 190 H ALA 71 H ALA 71 3.092 7.648 -2.714 191 HA ALA 71 HA ALA 71 3.012 5.977 -4.905 192 1HB ALA 71 1HB ALA 71 2.901 5.169 -1.973 193 2HB ALA 71 2HB ALA 71 3.577 4.230 -3.325 194 3HB ALA 71 3HB ALA 71 4.374 5.731 -2.798 195 H VAL 72 H VAL 72 0.628 6.458 -2.238 196 HA VAL 72 HA VAL 72 -1.041 4.339 -2.908 197 HB VAL 72 HB VAL 72 -1.603 7.011 -1.608 198 1HG1 VAL 72 1HG1 VAL 72 -3.705 6.129 -2.379 199 2HG1 VAL 72 2HG1 VAL 72 -3.309 4.506 -1.762 200 3HG1 VAL 72 3HG1 VAL 72 -3.595 5.846 -0.624 201 1HG2 VAL 72 1HG2 VAL 72 -0.588 4.368 -0.635 202 2HG2 VAL 72 2HG2 VAL 72 -0.139 6.019 -0.146 203 3HG2 VAL 72 3HG2 VAL 72 -1.664 5.304 0.429 204 H ARG 73 H ARG 73 -1.764 7.846 -3.530 205 HA ARG 73 HA ARG 73 -3.790 7.429 -5.234 206 1HB ARG 73 1HB ARG 73 -2.985 9.654 -4.327 207 2HB ARG 73 2HB ARG 73 -1.681 9.633 -5.498 208 1HG ARG 73 1HG ARG 73 -3.214 9.760 -7.364 209 2HG ARG 73 2HG ARG 73 -4.596 9.396 -6.349 210 1HD ARG 73 1HD ARG 73 -4.295 11.555 -5.137 211 2HD ARG 73 2HD ARG 73 -2.880 11.916 -6.105 212 HE ARG 73 HE ARG 73 -4.997 11.384 -7.919 213 1HH1 ARG 73 2HH2 ARG 73 -4.091 13.793 -5.521 214 2HH1 ARG 73 1HH2 ARG 73 -5.042 15.051 -6.239 215 1HH2 ARG 73 2HH1 ARG 73 -6.284 13.031 -8.842 216 2HH2 ARG 73 1HH1 ARG 73 -6.290 14.616 -8.147 217 H GLY 74 H GLY 74 -0.290 7.165 -5.847 218 1HA GLY 74 1HA GLY 74 -0.424 7.283 -8.690 219 2HA GLY 74 2HA GLY 74 0.915 6.729 -7.705 220 H ALA 75 H ALA 75 -0.707 4.700 -6.216 221 HA ALA 75 HA ALA 75 -0.412 2.636 -8.214 222 1HB ALA 75 1HB ALA 75 0.565 2.377 -5.968 223 2HB ALA 75 2HB ALA 75 -1.050 2.544 -5.237 224 3HB ALA 75 3HB ALA 75 -0.678 1.137 -6.261 225 H THR 76 H THR 76 -2.923 4.584 -6.762 226 HA THR 76 HA THR 76 -4.940 2.741 -7.867 227 HB THR 76 HB THR 76 -6.404 3.529 -6.018 228 HG1 THR 76 1HG THR 76 -4.010 4.842 -5.015 229 1HG2 THR 76 1HG2 THR 76 -5.106 2.724 -4.035 230 2HG2 THR 76 2HG2 THR 76 -4.898 1.625 -5.419 231 3HG2 THR 76 3HG2 THR 76 -3.612 2.781 -4.999 232 H GLY 77 H GLY 77 -4.964 6.168 -6.712 233 1HA GLY 77 1HA GLY 77 -4.941 7.926 -8.408 234 2HA GLY 77 2HA GLY 77 -5.960 6.902 -9.400 235 H LEU 78 H LEU 78 -6.503 6.818 -5.923 236 HA LEU 78 HA LEU 78 -9.144 7.789 -6.244 237 1HB LEU 78 1HB LEU 78 -7.471 7.105 -3.829 238 2HB LEU 78 2HB LEU 78 -9.142 7.624 -3.728 239 HG LEU 78 HG LEU 78 -8.396 5.263 -5.439 240 1HD1 LEU 78 1HD1 LEU 78 -8.748 3.764 -3.541 241 2HD1 LEU 78 2HD1 LEU 78 -7.359 4.842 -3.265 242 3HD1 LEU 78 3HD1 LEU 78 -8.910 5.164 -2.454 243 1HD2 LEU 78 1HD2 LEU 78 -10.912 5.967 -3.903 244 2HD2 LEU 78 2HD2 LEU 78 -10.652 6.206 -5.647 245 3HD2 LEU 78 3HD2 LEU 78 -10.682 4.561 -4.968 246 H GLY 79 H GLY 79 -10.084 9.703 -5.229 247 1HA GLY 79 1HA GLY 79 -8.798 12.067 -5.836 248 2HA GLY 79 2HA GLY 79 -10.145 11.894 -4.728 249 H LEU 80 H LEU 80 -7.616 13.616 -4.661 250 HA LEU 80 HA LEU 80 -5.711 12.849 -2.944 251 1HB LEU 80 1HB LEU 80 -6.263 15.122 -4.095 252 2HB LEU 80 2HB LEU 80 -7.031 15.513 -2.569 253 HG LEU 80 HG LEU 80 -4.196 14.510 -2.597 254 1HD1 LEU 80 1HD1 LEU 80 -3.405 16.851 -2.759 255 2HD1 LEU 80 2HD1 LEU 80 -4.171 16.267 -4.256 256 3HD1 LEU 80 3HD1 LEU 80 -5.063 17.358 -3.167 257 1HD2 LEU 80 1HD2 LEU 80 -5.318 14.681 -0.446 258 2HD2 LEU 80 2HD2 LEU 80 -4.022 15.895 -0.572 259 3HD2 LEU 80 3HD2 LEU 80 -5.724 16.383 -0.767 260 H LYS 81 H LYS 81 -9.031 13.962 -2.030 261 HA LYS 81 HA LYS 81 -8.626 13.809 0.720 262 1HB LYS 81 1HB LYS 81 -10.475 15.042 -0.072 263 2HB LYS 81 2HB LYS 81 -11.071 13.714 -1.045 264 1HG LYS 81 1HG LYS 81 -11.771 12.463 0.894 265 2HG LYS 81 2HG LYS 81 -10.854 13.484 1.982 266 1HD LYS 81 1HD LYS 81 -12.347 15.367 1.616 267 2HD LYS 81 2HD LYS 81 -13.141 14.561 0.279 268 1HE LYS 81 1HE LYS 81 -14.538 14.427 2.317 269 2HE LYS 81 2HE LYS 81 -14.034 12.825 1.816 270 1HZ LYS 81 1HZ LYS 81 -12.426 12.773 3.490 271 2HZ LYS 81 2HZ LYS 81 -12.536 14.371 3.805 272 3HZ LYS 81 3HZ LYS 81 -13.760 13.372 4.217 273 H GLU 82 H GLU 82 -10.414 11.442 -1.389 274 HA GLU 82 HA GLU 82 -10.853 9.546 0.409 275 1HB GLU 82 1HB GLU 82 -9.988 9.223 -2.493 276 2HB GLU 82 2HB GLU 82 -10.583 7.883 -1.531 277 1HG GLU 82 1HG GLU 82 -12.639 8.531 -2.300 278 2HG GLU 82 2HG GLU 82 -12.546 9.738 -1.031 279 H ALA 83 H ALA 83 -7.758 10.021 -1.406 280 HA ALA 83 HA ALA 83 -6.496 7.730 -0.422 281 1HB ALA 83 1HB ALA 83 -5.306 10.378 -1.350 282 2HB ALA 83 2HB ALA 83 -4.453 8.818 -1.255 283 3HB ALA 83 3HB ALA 83 -5.787 9.033 -2.413 284 H LYS 84 H LYS 84 -6.545 11.164 0.725 285 HA LYS 84 HA LYS 84 -4.720 10.850 2.780 286 1HB LYS 84 1HB LYS 84 -5.424 13.022 1.991 287 2HB LYS 84 2HB LYS 84 -7.080 12.725 2.477 288 1HG LYS 84 1HG LYS 84 -6.446 12.660 4.844 289 2HG LYS 84 2HG LYS 84 -4.743 12.715 4.441 290 1HD LYS 84 1HD LYS 84 -4.839 14.985 3.751 291 2HD LYS 84 2HD LYS 84 -6.571 14.935 3.485 292 1HE LYS 84 1HE LYS 84 -6.174 16.189 5.531 293 2HE LYS 84 2HE LYS 84 -6.906 14.661 5.979 294 1HZ LYS 84 1HZ LYS 84 -5.050 15.075 7.365 295 2HZ LYS 84 2HZ LYS 84 -4.653 13.827 6.389 296 3HZ LYS 84 3HZ LYS 84 -4.046 15.315 6.097 297 H ASP 85 H ASP 85 -8.339 10.559 2.843 298 HA ASP 85 HA ASP 85 -8.574 10.054 5.497 299 1HB ASP 85 1HB ASP 85 -10.143 9.075 3.084 300 2HB ASP 85 2HB ASP 85 -10.634 8.629 4.707 301 H LEU 86 H LEU 86 -8.048 7.771 2.723 302 HA LEU 86 HA LEU 86 -8.257 5.383 4.025 303 1HB LEU 86 1HB LEU 86 -7.330 6.353 1.540 304 2HB LEU 86 2HB LEU 86 -6.065 5.314 2.165 305 HG LEU 86 HG LEU 86 -8.969 4.519 1.815 306 1HD1 LEU 86 1HD1 LEU 86 -6.546 3.729 0.173 307 2HD1 LEU 86 2HD1 LEU 86 -8.222 3.178 -0.063 308 3HD1 LEU 86 3HD1 LEU 86 -7.803 4.888 -0.324 309 1HD2 LEU 86 1HD2 LEU 86 -8.327 3.100 3.484 310 2HD2 LEU 86 2HD2 LEU 86 -7.758 2.177 2.073 311 3HD2 LEU 86 3HD2 LEU 86 -6.607 3.148 3.024 312 H VAL 87 H VAL 87 -5.199 7.299 3.545 313 HA VAL 87 HA VAL 87 -3.627 5.577 5.058 314 HB VAL 87 HB VAL 87 -3.351 8.522 4.430 315 1HG1 VAL 87 1HG1 VAL 87 -1.913 8.075 6.291 316 2HG1 VAL 87 2HG1 VAL 87 -1.347 6.551 5.567 317 3HG1 VAL 87 3HG1 VAL 87 -0.896 8.107 4.832 318 1HG2 VAL 87 1HG2 VAL 87 -3.254 7.582 2.351 319 2HG2 VAL 87 2HG2 VAL 87 -1.559 7.333 2.835 320 3HG2 VAL 87 3HG2 VAL 87 -2.728 5.997 2.967 321 H GLU 88 H GLU 88 -5.681 8.378 5.953 322 HA GLU 88 HA GLU 88 -4.595 8.554 8.546 323 1HB GLU 88 1HB GLU 88 -7.097 9.699 7.245 324 2HB GLU 88 2HB GLU 88 -6.687 10.023 8.918 325 1HG GLU 88 1HG GLU 88 -4.692 10.513 6.673 326 2HG GLU 88 2HG GLU 88 -5.874 11.724 7.122 327 H SER 89 H SER 89 -6.747 6.352 7.035 328 HA SER 89 HA SER 89 -8.074 5.794 9.560 329 1HB SER 89 1HB SER 89 -8.728 4.804 6.749 330 2HB SER 89 2HB SER 89 -9.670 4.465 8.188 331 HG SER 89 HG SER 89 -9.118 7.165 7.328 332 H ALA 90 H ALA 90 -5.208 5.093 8.655 333 HA ALA 90 HA ALA 90 -5.092 2.350 8.109 334 1HB ALA 90 1HB ALA 90 -2.721 2.635 8.961 335 2HB ALA 90 2HB ALA 90 -3.201 3.777 7.684 336 3HB ALA 90 3HB ALA 90 -3.147 4.311 9.381 337 HA PRO 91 HA PRO 91 -3.815 0.830 8.603 338 1HB PRO 91 1HB PRO 91 -4.322 -1.826 8.995 339 2HB PRO 91 2HB PRO 91 -2.901 -1.020 9.625 340 1HG PRO 91 1HG PRO 91 -5.329 -1.892 11.068 341 2HG PRO 91 2HG PRO 91 -3.754 -1.485 11.718 342 1HD PRO 91 1HD PRO 91 -6.110 0.150 11.778 343 2HD PRO 91 2HD PRO 91 -4.507 0.602 12.323 344 H ALA 92 H ALA 92 -4.418 -0.017 6.542 345 HA ALA 92 HA ALA 92 -7.164 -0.789 6.258 346 1HB ALA 92 1HB ALA 92 -7.409 1.654 6.401 347 2HB ALA 92 2HB ALA 92 -6.193 1.863 5.117 348 3HB ALA 92 3HB ALA 92 -7.752 1.086 4.749 349 H ALA 93 H ALA 93 -7.545 -1.783 4.205 350 HA ALA 93 HA ALA 93 -5.158 -2.662 2.894 351 1HB ALA 93 1HB ALA 93 -6.740 -3.995 1.553 352 2HB ALA 93 2HB ALA 93 -7.104 -4.136 3.290 353 3HB ALA 93 3HB ALA 93 -8.104 -3.092 2.254 354 H LEU 94 H LEU 94 -4.373 -2.066 0.866 355 HA LEU 94 HA LEU 94 -5.683 0.303 -0.269 356 1HB LEU 94 1HB LEU 94 -2.863 -0.434 0.239 357 2HB LEU 94 2HB LEU 94 -3.182 0.357 -1.292 358 HG LEU 94 HG LEU 94 -4.300 2.219 -0.042 359 1HD1 LEU 94 1HD1 LEU 94 -4.968 1.204 1.990 360 2HD1 LEU 94 2HD1 LEU 94 -3.312 0.657 2.350 361 3HD1 LEU 94 3HD1 LEU 94 -3.710 2.391 2.414 362 1HD2 LEU 94 1HD2 LEU 94 -2.084 2.583 -0.815 363 2HD2 LEU 94 2HD2 LEU 94 -2.148 3.170 0.864 364 3HD2 LEU 94 3HD2 LEU 94 -1.389 1.602 0.497 365 H LYS 95 H LYS 95 -4.383 -2.959 -0.837 366 HA LYS 95 HA LYS 95 -5.778 -2.965 -3.379 367 1HB LYS 95 1HB LYS 95 -3.030 -4.098 -3.489 368 2HB LYS 95 2HB LYS 95 -3.996 -3.354 -4.747 369 1HG LYS 95 1HG LYS 95 -3.613 -1.110 -3.754 370 2HG LYS 95 2HG LYS 95 -2.712 -1.828 -2.432 371 1HD LYS 95 1HD LYS 95 -0.999 -1.148 -3.904 372 2HD LYS 95 2HD LYS 95 -1.174 -2.849 -4.286 373 1HE LYS 95 1HE LYS 95 -2.823 -2.140 -6.141 374 2HE LYS 95 2HE LYS 95 -2.317 -0.489 -5.844 375 1HZ LYS 95 1HZ LYS 95 -0.663 -2.721 -6.769 376 2HZ LYS 95 2HZ LYS 95 -0.948 -1.299 -7.521 377 3HZ LYS 95 3HZ LYS 95 -0.002 -1.343 -6.190 378 H GLU 96 H GLU 96 -6.377 -5.103 -4.063 379 HA GLU 96 HA GLU 96 -5.872 -7.109 -2.008 380 1HB GLU 96 1HB GLU 96 -8.523 -6.509 -3.395 381 2HB GLU 96 2HB GLU 96 -8.240 -7.918 -2.391 382 1HG GLU 96 1HG GLU 96 -7.630 -6.388 -0.476 383 2HG GLU 96 2HG GLU 96 -8.009 -5.008 -1.486 384 H GLY 97 H GLY 97 -5.092 -9.028 -2.804 385 1HA GLY 97 1HA GLY 97 -4.358 -10.540 -4.302 386 2HA GLY 97 2HA GLY 97 -5.945 -10.380 -5.026 387 H VAL 98 H VAL 98 -2.767 -8.617 -4.876 388 HA VAL 98 HA VAL 98 -3.142 -8.023 -7.730 389 HB VAL 98 HB VAL 98 -1.574 -6.140 -7.307 390 1HG1 VAL 98 1HG1 VAL 98 -3.230 -4.660 -6.402 391 2HG1 VAL 98 2HG1 VAL 98 -4.079 -5.910 -7.343 392 3HG1 VAL 98 3HG1 VAL 98 -4.053 -5.999 -5.565 393 1HG2 VAL 98 1HG2 VAL 98 -0.702 -7.263 -5.134 394 2HG2 VAL 98 2HG2 VAL 98 -0.876 -5.491 -5.175 395 3HG2 VAL 98 3HG2 VAL 98 -2.105 -6.487 -4.359 396 H SER 99 H SER 99 -1.052 -7.955 -8.998 397 HA SER 99 HA SER 99 0.199 -10.382 -8.772 398 1HB SER 99 1HB SER 99 1.802 -9.482 -10.454 399 2HB SER 99 2HB SER 99 0.137 -9.124 -10.866 400 HG SER 99 HG SER 99 0.407 -6.978 -10.347 401 H LYS 100 H LYS 100 2.216 -11.073 -7.907 402 HA LYS 100 HA LYS 100 3.034 -9.855 -5.565 403 1HB LYS 100 1HB LYS 100 3.347 -12.248 -6.212 404 2HB LYS 100 2HB LYS 100 4.621 -11.758 -7.311 405 1HG LYS 100 1HG LYS 100 4.854 -10.715 -4.513 406 2HG LYS 100 2HG LYS 100 5.053 -12.447 -4.694 407 1HD LYS 100 1HD LYS 100 6.800 -12.065 -6.446 408 2HD LYS 100 2HD LYS 100 6.599 -10.332 -6.270 409 1HE LYS 100 1HE LYS 100 7.270 -10.510 -3.855 410 2HE LYS 100 2HE LYS 100 7.500 -12.237 -4.054 411 1HZ LYS 100 1HZ LYS 100 8.896 -10.305 -5.755 412 2HZ LYS 100 2HZ LYS 100 9.503 -10.778 -4.314 413 3HZ LYS 100 3HZ LYS 100 9.264 -11.876 -5.499 414 H ASP 101 H ASP 101 4.341 -9.618 -8.918 415 HA ASP 101 HA ASP 101 6.656 -8.330 -8.315 416 1HB ASP 101 1HB ASP 101 4.793 -7.961 -10.706 417 2HB ASP 101 2HB ASP 101 6.428 -7.334 -10.654 418 H ASP 102 H ASP 102 3.297 -7.094 -8.728 419 HA ASP 102 HA ASP 102 4.053 -4.391 -8.787 420 1HB ASP 102 1HB ASP 102 1.472 -5.926 -8.432 421 2HB ASP 102 2HB ASP 102 1.474 -4.210 -8.077 422 H ALA 103 H ALA 103 3.157 -6.794 -6.291 423 HA ALA 103 HA ALA 103 2.595 -4.969 -4.222 424 1HB ALA 103 1HB ALA 103 2.711 -6.945 -2.801 425 2HB ALA 103 2HB ALA 103 1.889 -7.368 -4.322 426 3HB ALA 103 3HB ALA 103 3.586 -7.843 -4.064 427 H GLU 104 H GLU 104 5.569 -6.815 -5.171 428 HA GLU 104 HA GLU 104 7.018 -5.803 -2.984 429 1HB GLU 104 1HB GLU 104 7.531 -7.970 -4.091 430 2HB GLU 104 2HB GLU 104 7.984 -7.125 -5.558 431 1HG GLU 104 1HG GLU 104 9.875 -6.058 -4.471 432 2HG GLU 104 2HG GLU 104 9.332 -6.562 -2.882 433 H ALA 105 H ALA 105 6.350 -4.703 -6.275 434 HA ALA 105 HA ALA 105 8.596 -3.040 -6.581 435 1HB ALA 105 1HB ALA 105 7.317 -3.744 -8.496 436 2HB ALA 105 2HB ALA 105 5.818 -3.064 -7.818 437 3HB ALA 105 3HB ALA 105 7.125 -1.979 -8.353 438 H LEU 106 H LEU 106 5.195 -2.409 -5.482 439 HA LEU 106 HA LEU 106 5.721 0.327 -4.970 440 1HB LEU 106 1HB LEU 106 3.513 -0.780 -5.522 441 2HB LEU 106 2HB LEU 106 3.478 -1.361 -3.870 442 HG LEU 106 HG LEU 106 3.736 1.123 -3.192 443 1HD1 LEU 106 1HD1 LEU 106 4.342 2.106 -5.277 444 2HD1 LEU 106 2HD1 LEU 106 2.918 1.416 -6.091 445 3HD1 LEU 106 3HD1 LEU 106 2.712 2.690 -4.866 446 1HD2 LEU 106 1HD2 LEU 106 1.723 -0.195 -2.800 447 2HD2 LEU 106 2HD2 LEU 106 1.310 1.464 -3.295 448 3HD2 LEU 106 3HD2 LEU 106 1.170 0.127 -4.462 449 H LYS 107 H LYS 107 5.810 -2.700 -3.050 450 HA LYS 107 HA LYS 107 5.959 -1.552 -0.535 451 1HB LYS 107 1HB LYS 107 5.590 -3.965 -1.076 452 2HB LYS 107 2HB LYS 107 7.286 -4.107 -1.488 453 1HG LYS 107 1HG LYS 107 7.824 -3.206 0.860 454 2HG LYS 107 2HG LYS 107 6.119 -3.371 1.232 455 1HD LYS 107 1HD LYS 107 6.344 -5.838 0.450 456 2HD LYS 107 2HD LYS 107 8.078 -5.583 0.494 457 1HE LYS 107 1HE LYS 107 6.199 -5.131 2.864 458 2HE LYS 107 2HE LYS 107 7.173 -6.570 2.626 459 1HZ LYS 107 1HZ LYS 107 8.352 -5.118 4.021 460 2HZ LYS 107 2HZ LYS 107 9.122 -5.067 2.582 461 3HZ LYS 107 3HZ LYS 107 8.151 -3.834 3.032 462 H LYS 108 H LYS 108 8.592 -2.402 -2.876 463 HA LYS 108 HA LYS 108 10.708 -1.675 -1.258 464 1HB LYS 108 1HB LYS 108 10.331 -1.774 -4.251 465 2HB LYS 108 2HB LYS 108 11.854 -1.281 -3.539 466 1HG LYS 108 1HG LYS 108 10.790 -3.721 -2.271 467 2HG LYS 108 2HG LYS 108 11.006 -3.924 -4.000 468 1HD LYS 108 1HD LYS 108 13.105 -4.544 -3.018 469 2HD LYS 108 2HD LYS 108 13.368 -2.959 -3.717 470 1HE LYS 108 1HE LYS 108 14.342 -2.966 -1.484 471 2HE LYS 108 2HE LYS 108 12.934 -1.923 -1.454 472 1HZ LYS 108 1HZ LYS 108 12.532 -4.717 -0.811 473 2HZ LYS 108 2HZ LYS 108 13.288 -3.793 0.303 474 3HZ LYS 108 3HZ LYS 108 11.789 -3.394 -0.207 475 H ALA 109 H ALA 109 8.619 0.307 -3.421 476 HA ALA 109 HA ALA 109 10.142 2.659 -3.135 477 1HB ALA 109 1HB ALA 109 7.177 2.369 -3.760 478 2HB ALA 109 2HB ALA 109 8.249 3.719 -4.206 479 3HB ALA 109 3HB ALA 109 8.477 2.119 -4.952 480 H LEU 110 H LEU 110 7.395 1.200 -1.327 481 HA LEU 110 HA LEU 110 6.856 3.466 0.236 482 1HB LEU 110 1HB LEU 110 6.338 0.526 0.694 483 2HB LEU 110 2HB LEU 110 5.714 1.806 1.716 484 HG LEU 110 HG LEU 110 5.143 1.946 -1.217 485 1HD1 LEU 110 1HD1 LEU 110 4.185 -0.057 -1.302 486 2HD1 LEU 110 2HD1 LEU 110 4.419 -0.318 0.443 487 3HD1 LEU 110 3HD1 LEU 110 2.977 0.547 -0.142 488 1HD2 LEU 110 1HD2 LEU 110 4.477 3.756 0.342 489 2HD2 LEU 110 2HD2 LEU 110 3.098 2.996 -0.489 490 3HD2 LEU 110 3HD2 LEU 110 3.447 2.592 1.209 491 H GLU 111 H GLU 111 9.111 0.690 0.601 492 HA GLU 111 HA GLU 111 9.811 1.364 3.231 493 1HB GLU 111 1HB GLU 111 11.141 -0.360 1.104 494 2HB GLU 111 2HB GLU 111 11.806 -0.184 2.717 495 1HG GLU 111 1HG GLU 111 9.654 -1.009 3.694 496 2HG GLU 111 2HG GLU 111 8.988 -1.183 2.083 497 H GLU 112 H GLU 112 11.106 2.180 -0.019 498 HA GLU 112 HA GLU 112 13.476 3.298 0.758 499 1HB GLU 112 1HB GLU 112 11.581 3.808 -1.546 500 2HB GLU 112 2HB GLU 112 13.006 4.812 -1.362 501 1HG GLU 112 1HG GLU 112 13.260 1.789 -1.258 502 2HG GLU 112 2HG GLU 112 13.147 2.603 -2.805 503 H ALA 113 H ALA 113 10.147 4.572 0.924 504 HA ALA 113 HA ALA 113 11.032 7.243 1.512 505 1HB ALA 113 1HB ALA 113 8.551 7.575 1.884 506 2HB ALA 113 2HB ALA 113 8.981 6.951 0.274 507 3HB ALA 113 3HB ALA 113 8.329 5.848 1.510 508 H GLY 114 H GLY 114 9.860 4.333 3.261 509 1HA GLY 114 1HA GLY 114 10.789 3.940 5.438 510 2HA GLY 114 2HA GLY 114 10.681 5.657 5.772 511 H ALA 115 H ALA 115 8.413 3.105 4.494 512 HA ALA 115 HA ALA 115 6.562 3.891 6.633 513 1HB ALA 115 1HB ALA 115 5.821 3.236 3.754 514 2HB ALA 115 2HB ALA 115 4.713 3.727 5.058 515 3HB ALA 115 3HB ALA 115 5.912 4.881 4.425 516 H GLU 116 H GLU 116 5.018 2.140 7.217 517 HA GLU 116 HA GLU 116 6.340 -0.419 6.827 518 1HB GLU 116 1HB GLU 116 6.080 0.396 9.172 519 2HB GLU 116 2HB GLU 116 4.340 0.446 8.962 520 1HG GLU 116 1HG GLU 116 4.247 -1.980 8.606 521 2HG GLU 116 2HG GLU 116 5.996 -2.091 8.586 522 H VAL 117 H VAL 117 5.413 -1.867 5.447 523 HA VAL 117 HA VAL 117 2.519 -1.592 5.004 524 HB VAL 117 HB VAL 117 4.755 -2.152 3.056 525 1HG1 VAL 117 1HG1 VAL 117 3.107 -2.584 1.347 526 2HG1 VAL 117 2HG1 VAL 117 2.825 -3.701 2.703 527 3HG1 VAL 117 3HG1 VAL 117 1.777 -2.279 2.489 528 1HG2 VAL 117 1HG2 VAL 117 3.268 0.202 3.801 529 2HG2 VAL 117 2HG2 VAL 117 4.615 0.036 2.649 530 3HG2 VAL 117 3HG2 VAL 117 2.940 -0.204 2.099 531 H GLU 118 H GLU 118 1.303 -3.495 4.989 532 HA GLU 118 HA GLU 118 2.821 -5.821 5.857 533 1HB GLU 118 1HB GLU 118 1.133 -5.067 7.464 534 2HB GLU 118 2HB GLU 118 -0.111 -5.076 6.232 535 1HG GLU 118 1HG GLU 118 -0.315 -7.114 7.569 536 2HG GLU 118 2HG GLU 118 0.196 -7.551 5.949 537 H VAL 119 H VAL 119 2.785 -7.728 4.672 538 HA VAL 119 HA VAL 119 1.237 -7.609 2.184 539 HB VAL 119 HB VAL 119 3.737 -9.142 2.925 540 1HG1 VAL 119 1HG1 VAL 119 2.592 -10.524 1.392 541 2HG1 VAL 119 2HG1 VAL 119 2.049 -9.138 0.416 542 3HG1 VAL 119 3HG1 VAL 119 3.765 -9.614 0.409 543 1HG2 VAL 119 1HG2 VAL 119 3.305 -6.773 1.075 544 2HG2 VAL 119 2HG2 VAL 119 4.172 -6.765 2.629 545 3HG2 VAL 119 3HG2 VAL 119 4.827 -7.677 1.250 546 H LYS 120 H LYS 120 -0.435 -9.001 1.896 547 HA LYS 120 HA LYS 120 -0.510 -11.341 3.666 548 1HB LYS 120 1HB LYS 120 -2.248 -9.103 3.739 549 2HB LYS 120 2HB LYS 120 -3.161 -10.413 3.019 550 1HG LYS 120 1HG LYS 120 -2.689 -11.886 4.907 551 2HG LYS 120 2HG LYS 120 -1.532 -10.753 5.576 552 1HD LYS 120 1HD LYS 120 -3.578 -10.490 6.836 553 2HD LYS 120 2HD LYS 120 -3.419 -9.067 5.827 554 1HE LYS 120 1HE LYS 120 -5.003 -9.995 4.179 555 2HE LYS 120 2HE LYS 120 -5.082 -11.512 5.054 556 1HZ LYS 120 1HZ LYS 120 -5.784 -8.981 6.346 557 2HZ LYS 120 2HZ LYS 120 -6.880 -9.829 5.482 558 3HZ LYS 120 3HZ LYS 120 -6.189 -10.498 6.801 Start of MODEL 15 1 1H ALA 47 H ALA 47 -2.025 -31.492 -7.973 2 HA ALA 47 HA ALA 47 -1.746 -30.496 -10.558 3 1HB ALA 47 1HB ALA 47 -3.848 -30.602 -9.264 4 2HB ALA 47 2HB ALA 47 -3.201 -29.406 -8.115 5 3HB ALA 47 3HB ALA 47 -3.508 -28.942 -9.805 6 H ALA 48 H ALA 48 -1.388 -28.156 -11.121 7 HA ALA 48 HA ALA 48 0.966 -27.222 -9.671 8 1HB ALA 48 1HB ALA 48 -0.122 -26.151 -12.288 9 2HB ALA 48 2HB ALA 48 1.546 -26.101 -11.670 10 3HB ALA 48 3HB ALA 48 0.849 -27.642 -12.222 11 H GLU 49 H GLU 49 0.298 -26.056 -7.892 12 HA GLU 49 HA GLU 49 -2.013 -24.440 -8.023 13 1HB GLU 49 1HB GLU 49 0.214 -24.715 -5.964 14 2HB GLU 49 2HB GLU 49 -1.158 -23.647 -5.735 15 1HG GLU 49 1HG GLU 49 -2.728 -25.488 -5.782 16 2HG GLU 49 2HG GLU 49 -1.516 -26.602 -6.385 17 H GLU 50 H GLU 50 -1.958 -22.026 -7.475 18 HA GLU 50 HA GLU 50 0.362 -20.827 -8.777 19 1HB GLU 50 1HB GLU 50 -2.506 -20.583 -9.361 20 2HB GLU 50 2HB GLU 50 -1.775 -19.017 -9.072 21 1HG GLU 50 1HG GLU 50 -0.036 -19.465 -10.768 22 2HG GLU 50 2HG GLU 50 -0.634 -21.097 -10.997 23 H LYS 51 H LYS 51 1.338 -19.082 -7.734 24 HA LYS 51 HA LYS 51 -0.018 -18.139 -5.307 25 1HB LYS 51 1HB LYS 51 1.770 -19.750 -4.743 26 2HB LYS 51 2HB LYS 51 2.935 -18.764 -5.604 27 1HG LYS 51 1HG LYS 51 3.152 -17.336 -3.849 28 2HG LYS 51 2HG LYS 51 1.417 -17.107 -3.738 29 1HD LYS 51 1HD LYS 51 2.879 -19.541 -2.611 30 2HD LYS 51 2HD LYS 51 2.480 -18.123 -1.663 31 1HE LYS 51 1HE LYS 51 0.031 -18.700 -2.828 32 2HE LYS 51 2HE LYS 51 0.706 -20.305 -2.640 33 1HZ LYS 51 1HZ LYS 51 0.341 -18.298 -0.530 34 2HZ LYS 51 2HZ LYS 51 -0.415 -19.739 -0.667 35 3HZ LYS 51 3HZ LYS 51 1.178 -19.683 -0.310 36 H THR 52 H THR 52 -0.833 -16.484 -6.875 37 HA THR 52 HA THR 52 1.146 -14.332 -7.071 38 HB THR 52 HB THR 52 0.056 -13.892 -9.405 39 HG1 THR 52 1HG THR 52 -1.677 -15.452 -9.084 40 1HG2 THR 52 1HG2 THR 52 1.864 -14.941 -10.353 41 2HG2 THR 52 2HG2 THR 52 2.292 -15.444 -8.699 42 3HG2 THR 52 3HG2 THR 52 1.344 -16.531 -9.744 43 H GLU 53 H GLU 53 -0.940 -14.904 -5.103 44 HA GLU 53 HA GLU 53 -2.626 -12.605 -5.714 45 1HB GLU 53 1HB GLU 53 -3.433 -15.242 -4.422 46 2HB GLU 53 2HB GLU 53 -4.422 -13.798 -4.320 47 1HG GLU 53 1HG GLU 53 -4.542 -13.681 -6.804 48 2HG GLU 53 2HG GLU 53 -3.503 -15.086 -6.935 49 H PHE 54 H PHE 54 -1.115 -11.263 -4.533 50 HA PHE 54 HA PHE 54 -1.117 -11.819 -1.649 51 1HB PHE 54 1HB PHE 54 0.759 -10.270 -3.531 52 2HB PHE 54 2HB PHE 54 0.937 -10.236 -1.788 53 HD1 PHE 54 1HD PHE 54 1.877 -12.101 -0.599 54 HD2 PHE 54 2HD PHE 54 1.213 -12.346 -4.783 55 HE1 PHE 54 1HE PHE 54 3.296 -14.168 -0.704 56 HE2 PHE 54 2HE PHE 54 2.632 -14.414 -4.888 57 HZ PHE 54 HZ PHE 54 3.658 -15.300 -2.846 58 H ASP 55 H ASP 55 -1.610 -10.111 -0.193 59 HA ASP 55 HA ASP 55 -2.973 -7.909 -1.516 60 1HB ASP 55 1HB ASP 55 -3.214 -8.683 1.416 61 2HB ASP 55 2HB ASP 55 -4.323 -7.704 0.474 62 H VAL 56 H VAL 56 -2.378 -5.738 -0.956 63 HA VAL 56 HA VAL 56 -0.010 -5.545 0.771 64 HB VAL 56 HB VAL 56 -0.912 -3.749 -1.491 65 1HG1 VAL 56 1HG1 VAL 56 1.884 -3.562 -0.729 66 2HG1 VAL 56 2HG1 VAL 56 0.651 -2.285 -0.854 67 3HG1 VAL 56 3HG1 VAL 56 0.819 -3.215 0.654 68 1HG2 VAL 56 1HG2 VAL 56 1.252 -5.878 -1.402 69 2HG2 VAL 56 2HG2 VAL 56 -0.234 -5.899 -2.382 70 3HG2 VAL 56 3HG2 VAL 56 1.036 -4.698 -2.717 71 H ILE 57 H ILE 57 -0.525 -4.829 2.772 72 HA ILE 57 HA ILE 57 -2.732 -2.905 2.955 73 HB ILE 57 HB ILE 57 -1.689 -5.034 4.783 74 1HG1 ILE 57 1HG1 ILE 57 -4.368 -5.085 5.004 75 2HG1 ILE 57 2HG1 ILE 57 -4.248 -4.353 3.415 76 1HG2 ILE 57 1HG2 ILE 57 -3.025 -4.078 6.624 77 2HG2 ILE 57 2HG2 ILE 57 -1.650 -3.044 6.165 78 3HG2 ILE 57 3HG2 ILE 57 -3.299 -2.616 5.646 79 1HD1 ILE 57 1HD1 ILE 57 -4.344 -6.811 3.222 80 2HD1 ILE 57 2HD1 ILE 57 -2.762 -6.216 2.665 81 3HD1 ILE 57 3HD1 ILE 57 -2.916 -6.964 4.273 82 H LEU 58 H LEU 58 -2.442 -0.948 4.097 83 HA LEU 58 HA LEU 58 0.373 -0.288 4.570 84 1HB LEU 58 1HB LEU 58 -0.600 1.154 2.980 85 2HB LEU 58 2HB LEU 58 -2.062 1.358 3.924 86 HG LEU 58 HG LEU 58 -0.798 2.625 5.622 87 1HD1 LEU 58 1HD1 LEU 58 1.387 1.722 5.495 88 2HD1 LEU 58 2HD1 LEU 58 1.537 2.126 3.768 89 3HD1 LEU 58 3HD1 LEU 58 1.518 3.422 4.987 90 1HD2 LEU 58 1HD2 LEU 58 -0.174 3.932 2.994 91 2HD2 LEU 58 2HD2 LEU 58 -1.864 3.601 3.445 92 3HD2 LEU 58 3HD2 LEU 58 -0.850 4.630 4.486 93 H LYS 59 H LYS 59 1.064 -0.429 6.630 94 HA LYS 59 HA LYS 59 -0.963 -0.488 8.711 95 1HB LYS 59 1HB LYS 59 1.896 -1.399 8.493 96 2HB LYS 59 2HB LYS 59 1.170 -1.161 10.069 97 1HG LYS 59 1HG LYS 59 -0.282 -2.788 7.956 98 2HG LYS 59 2HG LYS 59 0.992 -3.523 8.908 99 1HD LYS 59 1HD LYS 59 -1.101 -1.973 10.413 100 2HD LYS 59 2HD LYS 59 -1.604 -3.496 9.705 101 1HE LYS 59 1HE LYS 59 0.216 -4.691 10.884 102 2HE LYS 59 2HE LYS 59 0.837 -3.180 11.518 103 1HZ LYS 59 1HZ LYS 59 -1.820 -4.299 12.090 104 2HZ LYS 59 2HZ LYS 59 -0.547 -4.279 13.115 105 3HZ LYS 59 3HZ LYS 59 -1.257 -2.878 12.667 106 H ALA 60 H ALA 60 2.217 1.133 8.027 107 HA ALA 60 HA ALA 60 1.182 3.458 9.468 108 1HB ALA 60 1HB ALA 60 2.670 1.862 10.898 109 2HB ALA 60 2HB ALA 60 4.010 2.477 9.901 110 3HB ALA 60 3HB ALA 60 3.049 3.601 10.893 111 H ALA 61 H ALA 61 1.464 5.286 8.282 112 HA ALA 61 HA ALA 61 2.744 5.168 5.777 113 1HB ALA 61 1HB ALA 61 1.698 7.437 7.509 114 2HB ALA 61 2HB ALA 61 2.335 7.676 5.864 115 3HB ALA 61 3HB ALA 61 0.894 6.662 6.121 116 H GLY 62 H GLY 62 3.810 5.905 9.065 117 1HA GLY 62 1HA GLY 62 5.944 6.081 9.830 118 2HA GLY 62 2HA GLY 62 6.552 6.008 8.189 119 H ALA 63 H ALA 63 8.043 7.770 8.912 120 HA ALA 63 HA ALA 63 6.767 10.320 9.448 121 1HB ALA 63 1HB ALA 63 8.769 9.415 10.725 122 2HB ALA 63 2HB ALA 63 9.724 9.646 9.242 123 3HB ALA 63 3HB ALA 63 8.979 11.047 10.046 124 H ASN 64 H ASN 64 6.194 9.187 6.871 125 HA ASN 64 HA ASN 64 7.256 11.326 5.291 126 1HB ASN 64 1HB ASN 64 8.661 8.987 5.132 127 2HB ASN 64 2HB ASN 64 7.404 8.621 3.968 128 1HD2 ASN 64 1HD2 ASN 64 6.956 11.370 3.189 129 2HD2 ASN 64 2HD2 ASN 64 8.260 11.815 2.140 130 H LYS 65 H LYS 65 4.720 11.378 6.028 131 HA LYS 65 HA LYS 65 2.959 9.610 4.735 132 1HB LYS 65 1HB LYS 65 2.714 11.311 6.785 133 2HB LYS 65 2HB LYS 65 2.077 12.351 5.527 134 1HG LYS 65 1HG LYS 65 0.360 10.742 4.935 135 2HG LYS 65 2HG LYS 65 1.111 9.483 5.894 136 1HD LYS 65 1HD LYS 65 -0.669 10.239 7.269 137 2HD LYS 65 2HD LYS 65 0.737 11.040 7.943 138 1HE LYS 65 1HE LYS 65 0.202 13.100 6.635 139 2HE LYS 65 2HE LYS 65 -1.189 12.301 5.930 140 1HZ LYS 65 1HZ LYS 65 -1.888 13.575 7.776 141 2HZ LYS 65 2HZ LYS 65 -2.024 12.006 8.208 142 3HZ LYS 65 3HZ LYS 65 -0.784 12.905 8.775 143 H VAL 66 H VAL 66 4.610 12.600 3.772 144 HA VAL 66 HA VAL 66 2.902 13.406 1.746 145 HB VAL 66 HB VAL 66 5.876 13.675 2.178 146 1HG1 VAL 66 1HG1 VAL 66 5.719 15.551 0.475 147 2HG1 VAL 66 2HG1 VAL 66 5.644 13.898 -0.179 148 3HG1 VAL 66 3HG1 VAL 66 4.153 14.859 -0.016 149 1HG2 VAL 66 1HG2 VAL 66 5.336 15.930 2.882 150 2HG2 VAL 66 2HG2 VAL 66 3.625 15.694 2.451 151 3HG2 VAL 66 3HG2 VAL 66 4.338 14.775 3.798 152 H ALA 67 H ALA 67 5.800 11.220 1.618 153 HA ALA 67 HA ALA 67 5.568 10.781 -1.152 154 1HB ALA 67 1HB ALA 67 6.939 9.195 1.056 155 2HB ALA 67 2HB ALA 67 7.202 8.959 -0.689 156 3HB ALA 67 3HB ALA 67 7.663 10.497 0.080 157 H VAL 68 H VAL 68 4.232 9.179 1.762 158 HA VAL 68 HA VAL 68 3.388 6.829 0.546 159 HB VAL 68 HB VAL 68 2.418 8.425 2.910 160 1HG1 VAL 68 1HG1 VAL 68 0.471 7.232 2.191 161 2HG1 VAL 68 2HG1 VAL 68 1.409 5.746 1.911 162 3HG1 VAL 68 3HG1 VAL 68 1.160 6.341 3.569 163 1HG2 VAL 68 1HG2 VAL 68 3.662 6.950 4.228 164 2HG2 VAL 68 2HG2 VAL 68 3.732 5.710 2.952 165 3HG2 VAL 68 3HG2 VAL 68 4.703 7.196 2.805 166 H ILE 69 H ILE 69 1.454 9.829 1.259 167 HA ILE 69 HA ILE 69 -0.860 9.042 0.064 168 HB ILE 69 HB ILE 69 0.441 11.722 0.432 169 1HG1 ILE 69 1HG1 ILE 69 -2.043 10.542 1.701 170 2HG1 ILE 69 2HG1 ILE 69 -0.437 10.348 2.372 171 1HG2 ILE 69 1HG2 ILE 69 -1.754 12.744 -0.174 172 2HG2 ILE 69 2HG2 ILE 69 -0.870 12.035 -1.547 173 3HG2 ILE 69 3HG2 ILE 69 -2.253 11.169 -0.835 174 1HD1 ILE 69 1HD1 ILE 69 -0.275 12.963 2.180 175 2HD1 ILE 69 2HD1 ILE 69 -2.048 12.892 2.036 176 3HD1 ILE 69 3HD1 ILE 69 -1.249 12.259 3.494 177 H LYS 70 H LYS 70 2.142 10.270 -1.448 178 HA LYS 70 HA LYS 70 1.031 10.654 -4.002 179 1HB LYS 70 1HB LYS 70 3.816 10.364 -2.899 180 2HB LYS 70 2HB LYS 70 3.557 10.385 -4.632 181 1HG LYS 70 1HG LYS 70 2.168 12.540 -4.253 182 2HG LYS 70 2HG LYS 70 2.810 12.551 -2.624 183 1HD LYS 70 1HD LYS 70 5.128 12.619 -3.505 184 2HD LYS 70 2HD LYS 70 4.532 12.507 -5.149 185 1HE LYS 70 1HE LYS 70 4.932 14.836 -4.820 186 2HE LYS 70 2HE LYS 70 3.195 14.668 -4.672 187 1HZ LYS 70 1HZ LYS 70 3.390 14.704 -2.326 188 2HZ LYS 70 2HZ LYS 70 5.021 14.639 -2.372 189 3HZ LYS 70 3HZ LYS 70 4.242 15.975 -2.897 190 H ALA 71 H ALA 71 2.877 7.903 -2.520 191 HA ALA 71 HA ALA 71 2.861 6.270 -4.748 192 1HB ALA 71 1HB ALA 71 2.779 5.598 -1.780 193 2HB ALA 71 2HB ALA 71 3.187 4.443 -3.072 194 3HB ALA 71 3HB ALA 71 4.232 5.853 -2.775 195 H VAL 72 H VAL 72 0.408 6.716 -2.137 196 HA VAL 72 HA VAL 72 -1.218 4.581 -2.872 197 HB VAL 72 HB VAL 72 -1.774 7.204 -1.483 198 1HG1 VAL 72 1HG1 VAL 72 -3.880 6.448 -2.379 199 2HG1 VAL 72 2HG1 VAL 72 -3.580 4.787 -1.814 200 3HG1 VAL 72 3HG1 VAL 72 -3.850 6.094 -0.635 201 1HG2 VAL 72 1HG2 VAL 72 -0.989 4.440 -0.594 202 2HG2 VAL 72 2HG2 VAL 72 -0.353 6.023 -0.084 203 3HG2 VAL 72 3HG2 VAL 72 -1.951 5.479 0.485 204 H ARG 73 H ARG 73 -2.042 8.078 -3.394 205 HA ARG 73 HA ARG 73 -4.023 7.622 -5.151 206 1HB ARG 73 1HB ARG 73 -3.818 9.954 -5.786 207 2HB ARG 73 2HB ARG 73 -3.318 9.844 -4.111 208 1HG ARG 73 1HG ARG 73 -0.905 9.675 -4.914 209 2HG ARG 73 2HG ARG 73 -1.477 9.973 -6.544 210 1HD ARG 73 1HD ARG 73 -2.630 12.107 -5.505 211 2HD ARG 73 2HD ARG 73 -1.539 11.852 -4.157 212 HE ARG 73 HE ARG 73 0.259 12.540 -5.499 213 1HH1 ARG 73 2HH2 ARG 73 -2.489 11.771 -7.556 214 2HH1 ARG 73 1HH2 ARG 73 -1.791 12.482 -8.973 215 1HH2 ARG 73 2HH1 ARG 73 1.196 13.449 -7.376 216 2HH2 ARG 73 1HH1 ARG 73 0.334 13.409 -8.878 217 H GLY 74 H GLY 74 -0.513 7.525 -5.688 218 1HA GLY 74 1HA GLY 74 -0.567 7.820 -8.518 219 2HA GLY 74 2HA GLY 74 0.759 7.242 -7.530 220 H ALA 75 H ALA 75 -0.877 5.084 -6.228 221 HA ALA 75 HA ALA 75 -0.478 3.159 -8.350 222 1HB ALA 75 1HB ALA 75 0.467 2.772 -6.109 223 2HB ALA 75 2HB ALA 75 -1.163 2.857 -5.398 224 3HB ALA 75 3HB ALA 75 -0.744 1.528 -6.506 225 H THR 76 H THR 76 -3.053 4.975 -6.854 226 HA THR 76 HA THR 76 -5.016 3.130 -8.050 227 HB THR 76 HB THR 76 -6.532 3.896 -6.218 228 HG1 THR 76 1HG THR 76 -4.145 5.132 -5.110 229 1HG2 THR 76 1HG2 THR 76 -5.061 3.169 -4.192 230 2HG2 THR 76 2HG2 THR 76 -5.288 1.967 -5.486 231 3HG2 THR 76 3HG2 THR 76 -3.771 2.894 -5.388 232 H GLY 77 H GLY 77 -5.064 6.547 -6.852 233 1HA GLY 77 1HA GLY 77 -5.065 8.312 -8.551 234 2HA GLY 77 2HA GLY 77 -6.114 7.293 -9.518 235 H LEU 78 H LEU 78 -6.560 7.204 -6.027 236 HA LEU 78 HA LEU 78 -9.207 8.186 -6.277 237 1HB LEU 78 1HB LEU 78 -7.496 7.525 -3.878 238 2HB LEU 78 2HB LEU 78 -9.189 7.969 -3.790 239 HG LEU 78 HG LEU 78 -8.312 5.641 -5.487 240 1HD1 LEU 78 1HD1 LEU 78 -7.301 5.169 -3.361 241 2HD1 LEU 78 2HD1 LEU 78 -8.795 5.606 -2.498 242 3HD1 LEU 78 3HD1 LEU 78 -8.757 4.159 -3.535 243 1HD2 LEU 78 1HD2 LEU 78 -10.893 6.274 -4.029 244 2HD2 LEU 78 2HD2 LEU 78 -10.594 6.459 -5.775 245 3HD2 LEU 78 3HD2 LEU 78 -10.582 4.839 -5.035 246 H GLY 79 H GLY 79 -10.106 10.091 -5.185 247 1HA GLY 79 1HA GLY 79 -8.826 12.456 -5.824 248 2HA GLY 79 2HA GLY 79 -10.142 12.280 -4.678 249 H LEU 80 H LEU 80 -7.646 14.016 -4.642 250 HA LEU 80 HA LEU 80 -5.692 13.237 -2.974 251 1HB LEU 80 1HB LEU 80 -6.259 15.512 -4.097 252 2HB LEU 80 2HB LEU 80 -7.032 15.890 -2.571 253 HG LEU 80 HG LEU 80 -4.207 14.889 -2.538 254 1HD1 LEU 80 1HD1 LEU 80 -4.014 16.519 -4.253 255 2HD1 LEU 80 2HD1 LEU 80 -5.058 17.666 -3.379 256 3HD1 LEU 80 3HD1 LEU 80 -3.437 17.279 -2.750 257 1HD2 LEU 80 1HD2 LEU 80 -4.029 16.226 -0.552 258 2HD2 LEU 80 2HD2 LEU 80 -5.612 16.980 -0.858 259 3HD2 LEU 80 3HD2 LEU 80 -5.515 15.252 -0.448 260 H LYS 81 H LYS 81 -8.993 14.348 -1.984 261 HA LYS 81 HA LYS 81 -8.548 14.142 0.753 262 1HB LYS 81 1HB LYS 81 -10.414 15.375 -0.183 263 2HB LYS 81 2HB LYS 81 -11.092 13.917 -0.879 264 1HG LYS 81 1HG LYS 81 -11.757 13.054 1.211 265 2HG LYS 81 2HG LYS 81 -10.550 13.968 2.092 266 1HD LYS 81 1HD LYS 81 -11.799 16.085 1.600 267 2HD LYS 81 2HD LYS 81 -13.011 15.164 0.733 268 1HE LYS 81 1HE LYS 81 -12.310 14.595 3.647 269 2HE LYS 81 2HE LYS 81 -13.547 15.750 3.191 270 1HZ LYS 81 1HZ LYS 81 -13.857 13.304 1.815 271 2HZ LYS 81 2HZ LYS 81 -13.865 13.071 3.431 272 3HZ LYS 81 3HZ LYS 81 -14.929 14.106 2.750 273 H GLU 82 H GLU 82 -10.310 11.799 -1.404 274 HA GLU 82 HA GLU 82 -10.738 9.852 0.339 275 1HB GLU 82 1HB GLU 82 -9.873 9.685 -2.568 276 2HB GLU 82 2HB GLU 82 -10.316 8.248 -1.669 277 1HG GLU 82 1HG GLU 82 -12.554 9.127 -1.222 278 2HG GLU 82 2HG GLU 82 -12.125 10.697 -1.870 279 H ALA 83 H ALA 83 -7.618 10.453 -1.391 280 HA ALA 83 HA ALA 83 -6.319 8.164 -0.453 281 1HB ALA 83 1HB ALA 83 -4.283 9.351 -1.183 282 2HB ALA 83 2HB ALA 83 -5.587 9.527 -2.381 283 3HB ALA 83 3HB ALA 83 -5.201 10.873 -1.283 284 H LYS 84 H LYS 84 -6.512 11.549 0.812 285 HA LYS 84 HA LYS 84 -4.724 11.233 2.898 286 1HB LYS 84 1HB LYS 84 -5.590 13.389 2.104 287 2HB LYS 84 2HB LYS 84 -7.183 13.000 2.718 288 1HG LYS 84 1HG LYS 84 -5.521 12.540 4.932 289 2HG LYS 84 2HG LYS 84 -4.792 13.942 4.174 290 1HD LYS 84 1HD LYS 84 -6.419 14.840 5.673 291 2HD LYS 84 2HD LYS 84 -7.155 14.973 4.088 292 1HE LYS 84 1HE LYS 84 -8.508 12.971 4.465 293 2HE LYS 84 2HE LYS 84 -7.647 12.601 5.945 294 1HZ LYS 84 1HZ LYS 84 -8.471 14.735 6.814 295 2HZ LYS 84 2HZ LYS 84 -9.380 14.924 5.470 296 3HZ LYS 84 3HZ LYS 84 -9.666 13.674 6.480 297 H ASP 85 H ASP 85 -8.336 10.829 2.898 298 HA ASP 85 HA ASP 85 -8.559 10.152 5.522 299 1HB ASP 85 1HB ASP 85 -10.136 9.132 3.114 300 2HB ASP 85 2HB ASP 85 -10.652 8.903 4.772 301 H LEU 86 H LEU 86 -8.024 8.074 2.591 302 HA LEU 86 HA LEU 86 -8.203 5.598 3.703 303 1HB LEU 86 1HB LEU 86 -7.911 6.142 1.316 304 2HB LEU 86 2HB LEU 86 -6.228 6.528 1.615 305 HG LEU 86 HG LEU 86 -6.600 4.286 0.608 306 1HD1 LEU 86 1HD1 LEU 86 -4.604 4.923 2.045 307 2HD1 LEU 86 2HD1 LEU 86 -5.386 4.014 3.361 308 3HD1 LEU 86 3HD1 LEU 86 -4.928 3.183 1.855 309 1HD2 LEU 86 1HD2 LEU 86 -7.743 3.483 3.293 310 2HD2 LEU 86 2HD2 LEU 86 -8.731 3.824 1.852 311 3HD2 LEU 86 3HD2 LEU 86 -7.563 2.481 1.833 312 H VAL 87 H VAL 87 -5.152 7.561 3.409 313 HA VAL 87 HA VAL 87 -3.593 5.728 4.802 314 HB VAL 87 HB VAL 87 -3.341 8.695 4.303 315 1HG1 VAL 87 1HG1 VAL 87 -0.905 8.362 4.863 316 2HG1 VAL 87 2HG1 VAL 87 -2.014 8.277 6.254 317 3HG1 VAL 87 3HG1 VAL 87 -1.347 6.781 5.555 318 1HG2 VAL 87 1HG2 VAL 87 -1.667 7.962 2.626 319 2HG2 VAL 87 2HG2 VAL 87 -2.058 6.269 3.002 320 3HG2 VAL 87 3HG2 VAL 87 -3.296 7.329 2.291 321 H GLU 88 H GLU 88 -5.646 8.464 5.886 322 HA GLU 88 HA GLU 88 -4.581 8.483 8.483 323 1HB GLU 88 1HB GLU 88 -7.110 9.629 7.243 324 2HB GLU 88 2HB GLU 88 -6.751 9.831 8.947 325 1HG GLU 88 1HG GLU 88 -4.749 10.587 6.777 326 2HG GLU 88 2HG GLU 88 -5.965 11.712 7.348 327 H SER 89 H SER 89 -6.713 6.340 6.831 328 HA SER 89 HA SER 89 -8.033 5.597 9.304 329 1HB SER 89 1HB SER 89 -8.584 4.781 6.417 330 2HB SER 89 2HB SER 89 -9.509 4.222 7.795 331 HG SER 89 HG SER 89 -10.699 5.968 7.428 332 H ALA 90 H ALA 90 -5.134 5.040 8.593 333 HA ALA 90 HA ALA 90 -4.812 2.377 7.841 334 1HB ALA 90 1HB ALA 90 -2.967 3.934 7.822 335 2HB ALA 90 2HB ALA 90 -3.147 4.250 9.565 336 3HB ALA 90 3HB ALA 90 -2.585 2.657 9.002 337 HA PRO 91 HA PRO 91 -3.649 0.808 8.284 338 1HB PRO 91 1HB PRO 91 -4.227 -1.863 8.290 339 2HB PRO 91 2HB PRO 91 -2.879 -1.173 9.170 340 1HG PRO 91 1HG PRO 91 -5.465 -2.151 10.213 341 2HG PRO 91 2HG PRO 91 -3.970 -1.864 11.079 342 1HD PRO 91 1HD PRO 91 -6.300 -0.191 11.075 343 2HD PRO 91 2HD PRO 91 -4.766 0.153 11.848 344 H ALA 92 H ALA 92 -4.026 0.103 6.084 345 HA ALA 92 HA ALA 92 -6.871 -0.125 5.494 346 1HB ALA 92 1HB ALA 92 -5.032 2.126 4.662 347 2HB ALA 92 2HB ALA 92 -6.400 1.643 3.631 348 3HB ALA 92 3HB ALA 92 -6.694 2.209 5.292 349 H ALA 93 H ALA 93 -7.211 -0.791 3.171 350 HA ALA 93 HA ALA 93 -5.018 -2.543 2.377 351 1HB ALA 93 1HB ALA 93 -6.671 -3.776 1.193 352 2HB ALA 93 2HB ALA 93 -7.452 -3.302 2.721 353 3HB ALA 93 3HB ALA 93 -7.820 -2.416 1.221 354 H LEU 94 H LEU 94 -3.587 -1.817 0.892 355 HA LEU 94 HA LEU 94 -4.309 0.430 -0.764 356 1HB LEU 94 1HB LEU 94 -1.784 -1.157 -0.339 357 2HB LEU 94 2HB LEU 94 -1.922 0.067 -1.586 358 HG LEU 94 HG LEU 94 -2.162 0.482 1.405 359 1HD1 LEU 94 1HD1 LEU 94 -0.171 1.975 0.995 360 2HD1 LEU 94 2HD1 LEU 94 0.118 0.229 0.801 361 3HD1 LEU 94 3HD1 LEU 94 -0.071 1.265 -0.635 362 1HD2 LEU 94 1HD2 LEU 94 -3.738 1.978 0.499 363 2HD2 LEU 94 2HD2 LEU 94 -2.263 2.941 0.751 364 3HD2 LEU 94 3HD2 LEU 94 -2.691 2.381 -0.883 365 H LYS 95 H LYS 95 -3.524 -3.076 -1.125 366 HA LYS 95 HA LYS 95 -5.017 -3.041 -3.614 367 1HB LYS 95 1HB LYS 95 -2.399 -4.455 -3.747 368 2HB LYS 95 2HB LYS 95 -3.335 -3.694 -5.017 369 1HG LYS 95 1HG LYS 95 -2.704 -1.446 -4.183 370 2HG LYS 95 2HG LYS 95 -1.841 -2.161 -2.837 371 1HD LYS 95 1HD LYS 95 -0.206 -1.600 -4.545 372 2HD LYS 95 2HD LYS 95 -0.329 -3.346 -4.479 373 1HE LYS 95 1HE LYS 95 -1.670 -3.437 -6.484 374 2HE LYS 95 2HE LYS 95 -1.990 -1.714 -6.442 375 1HZ LYS 95 1HZ LYS 95 -0.260 -2.373 -8.024 376 2HZ LYS 95 2HZ LYS 95 0.276 -1.284 -6.930 377 3HZ LYS 95 3HZ LYS 95 0.693 -2.858 -6.788 378 H GLU 96 H GLU 96 -5.842 -5.141 -4.196 379 HA GLU 96 HA GLU 96 -5.548 -7.057 -2.014 380 1HB GLU 96 1HB GLU 96 -8.076 -6.358 -3.572 381 2HB GLU 96 2HB GLU 96 -7.955 -7.688 -2.439 382 1HG GLU 96 1HG GLU 96 -7.274 -6.027 -0.644 383 2HG GLU 96 2HG GLU 96 -7.554 -4.731 -1.789 384 H GLY 97 H GLY 97 -4.997 -9.130 -2.621 385 1HA GLY 97 1HA GLY 97 -4.158 -10.700 -4.027 386 2HA GLY 97 2HA GLY 97 -5.766 -10.614 -4.716 387 H VAL 98 H VAL 98 -2.473 -9.131 -4.888 388 HA VAL 98 HA VAL 98 -2.999 -8.666 -7.742 389 HB VAL 98 HB VAL 98 -1.484 -6.736 -7.579 390 1HG1 VAL 98 1HG1 VAL 98 -4.068 -6.692 -7.212 391 2HG1 VAL 98 2HG1 VAL 98 -3.647 -6.297 -5.530 392 3HG1 VAL 98 3HG1 VAL 98 -3.110 -5.237 -6.854 393 1HG2 VAL 98 1HG2 VAL 98 -0.257 -7.555 -5.540 394 2HG2 VAL 98 2HG2 VAL 98 -0.743 -5.844 -5.478 395 3HG2 VAL 98 3HG2 VAL 98 -1.666 -7.063 -4.568 396 H SER 99 H SER 99 -0.847 -8.576 -9.016 397 HA SER 99 HA SER 99 0.390 -11.011 -8.693 398 1HB SER 99 1HB SER 99 2.014 -10.159 -10.400 399 2HB SER 99 2HB SER 99 0.343 -9.878 -10.845 400 HG SER 99 HG SER 99 0.552 -7.709 -10.512 401 H LYS 100 H LYS 100 2.428 -11.653 -7.826 402 HA LYS 100 HA LYS 100 3.245 -10.425 -5.515 403 1HB LYS 100 1HB LYS 100 3.719 -12.754 -6.089 404 2HB LYS 100 2HB LYS 100 4.804 -12.249 -7.368 405 1HG LYS 100 1HG LYS 100 5.519 -10.920 -4.865 406 2HG LYS 100 2HG LYS 100 5.446 -12.655 -4.626 407 1HD LYS 100 1HD LYS 100 6.925 -12.948 -6.664 408 2HD LYS 100 2HD LYS 100 7.062 -11.206 -6.776 409 1HE LYS 100 1HE LYS 100 7.787 -12.698 -4.221 410 2HE LYS 100 2HE LYS 100 8.948 -12.479 -5.515 411 1HZ LYS 100 1HZ LYS 100 8.516 -10.084 -5.349 412 2HZ LYS 100 2HZ LYS 100 7.556 -10.347 -4.052 413 3HZ LYS 100 3HZ LYS 100 9.147 -10.708 -3.977 414 H ASP 101 H ASP 101 4.505 -10.038 -8.877 415 HA ASP 101 HA ASP 101 6.735 -8.613 -8.253 416 1HB ASP 101 1HB ASP 101 4.851 -8.333 -10.640 417 2HB ASP 101 2HB ASP 101 6.444 -7.605 -10.580 418 H ASP 102 H ASP 102 3.311 -7.567 -8.734 419 HA ASP 102 HA ASP 102 3.874 -4.834 -8.729 420 1HB ASP 102 1HB ASP 102 1.405 -6.538 -8.324 421 2HB ASP 102 2HB ASP 102 1.306 -4.820 -7.990 422 H ALA 103 H ALA 103 3.101 -7.301 -6.238 423 HA ALA 103 HA ALA 103 2.481 -5.545 -4.146 424 1HB ALA 103 1HB ALA 103 3.680 -8.342 -4.042 425 2HB ALA 103 2HB ALA 103 2.785 -7.519 -2.741 426 3HB ALA 103 3HB ALA 103 1.949 -7.982 -4.242 427 H GLU 104 H GLU 104 5.568 -7.159 -5.152 428 HA GLU 104 HA GLU 104 7.007 -6.059 -3.018 429 1HB GLU 104 1HB GLU 104 7.509 -8.106 -4.619 430 2HB GLU 104 2HB GLU 104 8.301 -6.905 -5.619 431 1HG GLU 104 1HG GLU 104 9.649 -6.192 -3.578 432 2HG GLU 104 2HG GLU 104 8.937 -7.530 -2.698 433 H ALA 105 H ALA 105 6.011 -4.863 -6.173 434 HA ALA 105 HA ALA 105 8.050 -2.923 -6.472 435 1HB ALA 105 1HB ALA 105 5.245 -3.172 -7.629 436 2HB ALA 105 2HB ALA 105 6.469 -2.004 -8.180 437 3HB ALA 105 3HB ALA 105 6.758 -3.750 -8.366 438 H LEU 106 H LEU 106 4.634 -2.821 -5.247 439 HA LEU 106 HA LEU 106 4.726 -0.079 -4.638 440 1HB LEU 106 1HB LEU 106 2.663 -1.270 -5.027 441 2HB LEU 106 2HB LEU 106 2.954 -2.318 -3.653 442 HG LEU 106 HG LEU 106 1.263 -0.534 -3.253 443 1HD1 LEU 106 1HD1 LEU 106 3.518 0.039 -1.373 444 2HD1 LEU 106 2HD1 LEU 106 1.804 -0.309 -1.039 445 3HD1 LEU 106 3HD1 LEU 106 2.906 -1.628 -1.503 446 1HD2 LEU 106 1HD2 LEU 106 3.602 1.389 -3.315 447 2HD2 LEU 106 2HD2 LEU 106 2.399 1.218 -4.616 448 3HD2 LEU 106 3HD2 LEU 106 1.890 1.767 -3.001 449 H LYS 107 H LYS 107 5.313 -3.071 -2.697 450 HA LYS 107 HA LYS 107 5.600 -1.847 -0.242 451 1HB LYS 107 1HB LYS 107 5.385 -4.230 -0.443 452 2HB LYS 107 2HB LYS 107 6.849 -4.351 -1.397 453 1HG LYS 107 1HG LYS 107 8.246 -3.750 0.480 454 2HG LYS 107 2HG LYS 107 6.875 -3.199 1.421 455 1HD LYS 107 1HD LYS 107 6.043 -5.451 1.719 456 2HD LYS 107 2HD LYS 107 7.123 -6.090 0.495 457 1HE LYS 107 1HE LYS 107 8.063 -6.654 2.662 458 2HE LYS 107 2HE LYS 107 9.091 -5.426 1.951 459 1HZ LYS 107 1HZ LYS 107 6.981 -4.946 3.938 460 2HZ LYS 107 2HZ LYS 107 8.590 -4.897 4.211 461 3HZ LYS 107 3HZ LYS 107 7.890 -3.779 3.248 462 H LYS 108 H LYS 108 8.080 -2.510 -2.799 463 HA LYS 108 HA LYS 108 10.269 -1.595 -1.403 464 1HB LYS 108 1HB LYS 108 9.567 -1.822 -4.315 465 2HB LYS 108 2HB LYS 108 11.051 -1.013 -3.853 466 1HG LYS 108 1HG LYS 108 10.590 -3.574 -2.416 467 2HG LYS 108 2HG LYS 108 10.757 -3.759 -4.152 468 1HD LYS 108 1HD LYS 108 12.977 -3.926 -3.194 469 2HD LYS 108 2HD LYS 108 12.891 -2.395 -4.041 470 1HE LYS 108 1HE LYS 108 12.493 -1.188 -1.929 471 2HE LYS 108 2HE LYS 108 12.393 -2.695 -1.043 472 1HZ LYS 108 1HZ LYS 108 14.617 -3.016 -1.203 473 2HZ LYS 108 2HZ LYS 108 14.790 -2.179 -2.596 474 3HZ LYS 108 3HZ LYS 108 14.600 -1.383 -1.184 475 H ALA 109 H ALA 109 7.749 0.209 -3.215 476 HA ALA 109 HA ALA 109 9.122 2.662 -3.215 477 1HB ALA 109 1HB ALA 109 6.120 2.191 -3.293 478 2HB ALA 109 2HB ALA 109 7.024 3.566 -3.974 479 3HB ALA 109 3HB ALA 109 7.193 1.946 -4.692 480 H LEU 110 H LEU 110 6.757 1.121 -0.969 481 HA LEU 110 HA LEU 110 6.451 3.352 0.692 482 1HB LEU 110 1HB LEU 110 5.951 0.417 0.906 483 2HB LEU 110 2HB LEU 110 5.896 1.385 2.366 484 HG LEU 110 HG LEU 110 3.728 0.912 0.956 485 1HD1 LEU 110 1HD1 LEU 110 4.353 3.641 2.116 486 2HD1 LEU 110 2HD1 LEU 110 2.730 2.976 1.821 487 3HD1 LEU 110 3HD1 LEU 110 3.800 2.209 3.019 488 1HD2 LEU 110 1HD2 LEU 110 3.181 2.505 -0.716 489 2HD2 LEU 110 2HD2 LEU 110 4.649 3.458 -0.393 490 3HD2 LEU 110 3HD2 LEU 110 4.779 1.847 -1.139 491 H GLU 111 H GLU 111 8.783 0.604 0.684 492 HA GLU 111 HA GLU 111 9.888 1.287 3.157 493 1HB GLU 111 1HB GLU 111 11.132 -0.292 0.862 494 2HB GLU 111 2HB GLU 111 11.691 -0.300 2.522 495 1HG GLU 111 1HG GLU 111 8.901 -0.868 2.655 496 2HG GLU 111 2HG GLU 111 9.509 -1.818 1.313 497 H GLU 112 H GLU 112 10.622 2.192 -0.235 498 HA GLU 112 HA GLU 112 13.093 3.302 0.184 499 1HB GLU 112 1HB GLU 112 10.891 3.679 -1.828 500 2HB GLU 112 2HB GLU 112 12.177 4.868 -1.815 501 1HG GLU 112 1HG GLU 112 13.857 2.960 -1.942 502 2HG GLU 112 2HG GLU 112 12.514 1.849 -2.123 503 H ALA 113 H ALA 113 9.803 4.620 0.732 504 HA ALA 113 HA ALA 113 10.822 7.255 1.284 505 1HB ALA 113 1HB ALA 113 8.404 7.690 1.815 506 2HB ALA 113 2HB ALA 113 8.669 7.018 0.188 507 3HB ALA 113 3HB ALA 113 8.071 5.970 1.498 508 H GLY 114 H GLY 114 9.896 4.292 3.028 509 1HA GLY 114 1HA GLY 114 10.884 3.860 5.141 510 2HA GLY 114 2HA GLY 114 10.833 5.570 5.513 511 H ALA 115 H ALA 115 8.459 3.042 4.393 512 HA ALA 115 HA ALA 115 6.732 3.900 6.608 513 1HB ALA 115 1HB ALA 115 4.800 3.629 5.096 514 2HB ALA 115 2HB ALA 115 5.924 4.865 4.484 515 3HB ALA 115 3HB ALA 115 5.900 3.243 3.752 516 H GLU 116 H GLU 116 5.115 2.168 7.214 517 HA GLU 116 HA GLU 116 6.490 -0.377 7.021 518 1HB GLU 116 1HB GLU 116 5.956 0.581 9.281 519 2HB GLU 116 2HB GLU 116 4.248 0.494 8.899 520 1HG GLU 116 1HG GLU 116 4.864 -1.481 10.204 521 2HG GLU 116 2HG GLU 116 4.457 -1.986 8.575 522 H VAL 117 H VAL 117 5.739 -1.919 5.637 523 HA VAL 117 HA VAL 117 2.936 -1.669 4.790 524 HB VAL 117 HB VAL 117 5.479 -2.299 3.384 525 1HG1 VAL 117 1HG1 VAL 117 2.818 -3.497 2.540 526 2HG1 VAL 117 2HG1 VAL 117 4.329 -3.528 1.601 527 3HG1 VAL 117 3HG1 VAL 117 4.225 -4.402 3.148 528 1HG2 VAL 117 1HG2 VAL 117 4.388 -0.121 3.111 529 2HG2 VAL 117 2HG2 VAL 117 4.394 -1.026 1.578 530 3HG2 VAL 117 3HG2 VAL 117 2.903 -0.923 2.546 531 H GLU 118 H GLU 118 1.849 -3.780 4.269 532 HA GLU 118 HA GLU 118 3.041 -5.983 5.742 533 1HB GLU 118 1HB GLU 118 1.403 -4.958 7.259 534 2HB GLU 118 2HB GLU 118 0.167 -5.004 6.018 535 1HG GLU 118 1HG GLU 118 1.434 -7.642 6.518 536 2HG GLU 118 2HG GLU 118 0.613 -6.987 7.921 537 H VAL 119 H VAL 119 2.859 -7.967 4.704 538 HA VAL 119 HA VAL 119 1.337 -7.901 2.193 539 HB VAL 119 HB VAL 119 3.740 -9.567 2.966 540 1HG1 VAL 119 1HG1 VAL 119 2.356 -9.218 0.284 541 2HG1 VAL 119 2HG1 VAL 119 3.825 -10.175 0.592 542 3HG1 VAL 119 3HG1 VAL 119 2.274 -10.662 1.322 543 1HG2 VAL 119 1HG2 VAL 119 4.445 -7.278 2.786 544 2HG2 VAL 119 2HG2 VAL 119 4.938 -8.117 1.295 545 3HG2 VAL 119 3HG2 VAL 119 3.514 -7.051 1.285 546 H LYS 120 H LYS 120 -0.438 -9.173 2.066 547 HA LYS 120 HA LYS 120 -0.605 -11.376 4.005 548 1HB LYS 120 1HB LYS 120 -2.272 -9.171 3.794 549 2HB LYS 120 2HB LYS 120 -3.144 -10.402 2.905 550 1HG LYS 120 1HG LYS 120 -3.267 -11.860 4.777 551 2HG LYS 120 2HG LYS 120 -1.927 -11.084 5.597 552 1HD LYS 120 1HD LYS 120 -3.905 -10.362 6.754 553 2HD LYS 120 2HD LYS 120 -3.380 -8.986 5.803 554 1HE LYS 120 1HE LYS 120 -5.005 -9.923 3.955 555 2HE LYS 120 2HE LYS 120 -5.696 -10.875 5.254 556 1HZ LYS 120 1HZ LYS 120 -5.369 -7.960 5.387 557 2HZ LYS 120 2HZ LYS 120 -6.749 -8.699 4.919 558 3HZ LYS 120 3HZ LYS 120 -6.187 -8.903 6.439 Start of MODEL 16 1 1H ALA 47 H ALA 47 -2.179 -29.822 -0.507 2 HA ALA 47 HA ALA 47 -3.048 -27.306 -1.346 3 1HB ALA 47 1HB ALA 47 -1.338 -27.348 0.251 4 2HB ALA 47 2HB ALA 47 -0.433 -28.622 -0.602 5 3HB ALA 47 3HB ALA 47 -0.449 -26.960 -1.241 6 H ALA 48 H ALA 48 -3.758 -27.078 -3.448 7 HA ALA 48 HA ALA 48 -1.728 -27.285 -5.479 8 1HB ALA 48 1HB ALA 48 -2.943 -29.583 -5.210 9 2HB ALA 48 2HB ALA 48 -4.318 -28.759 -5.984 10 3HB ALA 48 3HB ALA 48 -2.764 -28.893 -6.840 11 H GLU 49 H GLU 49 -2.209 -24.919 -5.018 12 HA GLU 49 HA GLU 49 -4.339 -24.132 -6.811 13 1HB GLU 49 1HB GLU 49 -4.171 -23.483 -3.889 14 2HB GLU 49 2HB GLU 49 -4.641 -22.173 -4.954 15 1HG GLU 49 1HG GLU 49 -6.029 -24.696 -5.609 16 2HG GLU 49 2HG GLU 49 -6.329 -24.183 -3.959 17 H GLU 50 H GLU 50 -4.144 -21.608 -7.220 18 HA GLU 50 HA GLU 50 -1.379 -21.201 -7.847 19 1HB GLU 50 1HB GLU 50 -3.999 -20.060 -8.700 20 2HB GLU 50 2HB GLU 50 -2.653 -18.940 -8.737 21 1HG GLU 50 1HG GLU 50 -1.351 -20.468 -10.164 22 2HG GLU 50 2HG GLU 50 -2.584 -21.707 -10.027 23 H LYS 51 H LYS 51 -0.022 -19.579 -7.004 24 HA LYS 51 HA LYS 51 -1.166 -18.110 -4.730 25 1HB LYS 51 1HB LYS 51 1.179 -18.185 -3.804 26 2HB LYS 51 2HB LYS 51 0.323 -19.714 -3.834 27 1HG LYS 51 1HG LYS 51 1.593 -20.545 -5.658 28 2HG LYS 51 2HG LYS 51 2.073 -18.945 -6.186 29 1HD LYS 51 1HD LYS 51 3.808 -18.799 -4.661 30 2HD LYS 51 2HD LYS 51 2.946 -19.694 -3.425 31 1HE LYS 51 1HE LYS 51 3.878 -21.117 -5.937 32 2HE LYS 51 2HE LYS 51 5.017 -20.805 -4.641 33 1HZ LYS 51 1HZ LYS 51 4.170 -22.768 -3.975 34 2HZ LYS 51 2HZ LYS 51 3.073 -21.809 -3.241 35 3HZ LYS 51 3HZ LYS 51 2.703 -22.539 -4.654 36 H THR 52 H THR 52 -1.758 -16.730 -6.797 37 HA THR 52 HA THR 52 0.448 -14.812 -7.128 38 HB THR 52 HB THR 52 -0.432 -14.534 -9.501 39 HG1 THR 52 1HG THR 52 -2.551 -15.482 -8.976 40 1HG2 THR 52 1HG2 THR 52 1.435 -16.278 -8.814 41 2HG2 THR 52 2HG2 THR 52 0.149 -17.485 -9.054 42 3HG2 THR 52 3HG2 THR 52 0.658 -16.446 -10.406 43 H GLU 53 H GLU 53 -1.593 -14.810 -5.082 44 HA GLU 53 HA GLU 53 -2.911 -12.363 -5.939 45 1HB GLU 53 1HB GLU 53 -4.176 -14.772 -4.595 46 2HB GLU 53 2HB GLU 53 -4.868 -13.175 -4.394 47 1HG GLU 53 1HG GLU 53 -5.135 -12.923 -6.829 48 2HG GLU 53 2HG GLU 53 -4.289 -14.429 -7.117 49 H PHE 54 H PHE 54 -1.322 -11.123 -4.815 50 HA PHE 54 HA PHE 54 -1.127 -11.648 -1.946 51 1HB PHE 54 1HB PHE 54 0.453 -10.131 -4.082 52 2HB PHE 54 2HB PHE 54 0.729 -9.769 -2.389 53 HD1 PHE 54 1HD PHE 54 0.375 -12.863 -4.466 54 HD2 PHE 54 2HD PHE 54 2.579 -10.786 -1.492 55 HE1 PHE 54 1HE PHE 54 1.986 -14.783 -4.318 56 HE2 PHE 54 2HE PHE 54 4.189 -12.707 -1.345 57 HZ PHE 54 HZ PHE 54 3.874 -14.682 -2.760 58 H ASP 55 H ASP 55 -1.608 -10.045 -0.391 59 HA ASP 55 HA ASP 55 -3.166 -7.850 -1.499 60 1HB ASP 55 1HB ASP 55 -3.266 -9.337 1.155 61 2HB ASP 55 2HB ASP 55 -4.046 -7.779 0.964 62 H VAL 56 H VAL 56 -2.256 -5.801 -1.241 63 HA VAL 56 HA VAL 56 -0.008 -5.580 0.615 64 HB VAL 56 HB VAL 56 -0.907 -3.909 -1.738 65 1HG1 VAL 56 1HG1 VAL 56 1.666 -3.116 -1.137 66 2HG1 VAL 56 2HG1 VAL 56 0.183 -2.223 -0.723 67 3HG1 VAL 56 3HG1 VAL 56 0.933 -3.306 0.475 68 1HG2 VAL 56 1HG2 VAL 56 0.280 -6.265 -1.947 69 2HG2 VAL 56 2HG2 VAL 56 0.750 -4.902 -2.991 70 3HG2 VAL 56 3HG2 VAL 56 1.736 -5.315 -1.568 71 H ILE 57 H ILE 57 -0.558 -4.896 2.621 72 HA ILE 57 HA ILE 57 -2.753 -2.958 2.798 73 HB ILE 57 HB ILE 57 -1.644 -4.917 4.805 74 1HG1 ILE 57 1HG1 ILE 57 -4.490 -4.832 3.867 75 2HG1 ILE 57 2HG1 ILE 57 -3.280 -5.551 2.823 76 1HG2 ILE 57 1HG2 ILE 57 -2.197 -2.915 6.005 77 2HG2 ILE 57 2HG2 ILE 57 -3.749 -2.768 5.148 78 3HG2 ILE 57 3HG2 ILE 57 -3.484 -4.113 6.282 79 1HD1 ILE 57 1HD1 ILE 57 -3.700 -6.325 5.747 80 2HD1 ILE 57 2HD1 ILE 57 -4.359 -7.220 4.355 81 3HD1 ILE 57 3HD1 ILE 57 -2.597 -7.115 4.593 82 H LEU 58 H LEU 58 -2.482 -1.044 4.059 83 HA LEU 58 HA LEU 58 0.343 -0.370 4.464 84 1HB LEU 58 1HB LEU 58 -0.419 1.159 2.952 85 2HB LEU 58 2HB LEU 58 -2.055 1.152 3.580 86 HG LEU 58 HG LEU 58 -1.196 2.409 5.599 87 1HD1 LEU 58 1HD1 LEU 58 1.245 1.685 5.003 88 2HD1 LEU 58 2HD1 LEU 58 1.219 3.139 3.978 89 3HD1 LEU 58 3HD1 LEU 58 0.934 3.279 5.729 90 1HD2 LEU 58 1HD2 LEU 58 -2.350 3.840 4.277 91 2HD2 LEU 58 2HD2 LEU 58 -0.732 4.545 4.051 92 3HD2 LEU 58 3HD2 LEU 58 -1.402 3.446 2.823 93 H LYS 59 H LYS 59 1.064 -0.371 6.518 94 HA LYS 59 HA LYS 59 -0.928 -0.513 8.620 95 1HB LYS 59 1HB LYS 59 1.991 -1.179 8.379 96 2HB LYS 59 2HB LYS 59 1.300 -0.907 9.966 97 1HG LYS 59 1HG LYS 59 -0.443 -2.621 8.341 98 2HG LYS 59 2HG LYS 59 1.173 -3.291 8.445 99 1HD LYS 59 1HD LYS 59 1.038 -2.892 10.993 100 2HD LYS 59 2HD LYS 59 -0.662 -2.537 10.762 101 1HE LYS 59 1HE LYS 59 -1.136 -4.761 9.966 102 2HE LYS 59 2HE LYS 59 0.561 -5.120 9.716 103 1HZ LYS 59 1HZ LYS 59 -0.490 -6.020 11.782 104 2HZ LYS 59 2HZ LYS 59 0.915 -5.220 12.001 105 3HZ LYS 59 3HZ LYS 59 -0.501 -4.499 12.374 106 H ALA 60 H ALA 60 2.151 1.323 7.997 107 HA ALA 60 HA ALA 60 0.876 3.641 9.234 108 1HB ALA 60 1HB ALA 60 3.691 2.950 10.030 109 2HB ALA 60 2HB ALA 60 2.455 3.879 10.913 110 3HB ALA 60 3HB ALA 60 2.347 2.104 10.832 111 H ALA 61 H ALA 61 1.251 5.451 8.038 112 HA ALA 61 HA ALA 61 2.766 5.295 5.676 113 1HB ALA 61 1HB ALA 61 0.755 6.852 6.529 114 2HB ALA 61 2HB ALA 61 2.108 7.934 6.935 115 3HB ALA 61 3HB ALA 61 1.883 7.381 5.258 116 H GLY 62 H GLY 62 3.545 6.031 9.027 117 1HA GLY 62 1HA GLY 62 5.575 6.333 9.988 118 2HA GLY 62 2HA GLY 62 6.340 6.226 8.414 119 H ALA 63 H ALA 63 7.730 8.043 8.981 120 HA ALA 63 HA ALA 63 6.385 10.577 9.448 121 1HB ALA 63 1HB ALA 63 8.614 11.382 9.990 122 2HB ALA 63 2HB ALA 63 8.351 9.828 10.817 123 3HB ALA 63 3HB ALA 63 9.350 9.895 9.346 124 H ASN 64 H ASN 64 5.884 9.347 6.899 125 HA ASN 64 HA ASN 64 6.954 11.458 5.272 126 1HB ASN 64 1HB ASN 64 8.329 9.098 5.179 127 2HB ASN 64 2HB ASN 64 7.068 8.715 4.024 128 1HD2 ASN 64 1HD2 ASN 64 6.662 11.463 3.186 129 2HD2 ASN 64 2HD2 ASN 64 8.015 11.946 2.218 130 H LYS 65 H LYS 65 4.404 11.509 6.045 131 HA LYS 65 HA LYS 65 2.623 9.745 4.805 132 1HB LYS 65 1HB LYS 65 2.425 11.596 6.754 133 2HB LYS 65 2HB LYS 65 1.746 12.521 5.429 134 1HG LYS 65 1HG LYS 65 0.245 10.486 4.930 135 2HG LYS 65 2HG LYS 65 0.803 9.804 6.444 136 1HD LYS 65 1HD LYS 65 -0.217 12.633 6.521 137 2HD LYS 65 2HD LYS 65 -1.405 11.370 6.276 138 1HE LYS 65 1HE LYS 65 -0.620 10.203 8.332 139 2HE LYS 65 2HE LYS 65 0.623 11.416 8.564 140 1HZ LYS 65 1HZ LYS 65 -1.485 11.742 9.822 141 2HZ LYS 65 2HZ LYS 65 -0.992 13.038 8.960 142 3HZ LYS 65 3HZ LYS 65 -2.221 12.113 8.412 143 H VAL 66 H VAL 66 4.377 12.598 3.672 144 HA VAL 66 HA VAL 66 2.643 13.299 1.587 145 HB VAL 66 HB VAL 66 5.620 13.681 1.961 146 1HG1 VAL 66 1HG1 VAL 66 3.977 14.203 -0.335 147 2HG1 VAL 66 2HG1 VAL 66 4.485 15.752 0.377 148 3HG1 VAL 66 3HG1 VAL 66 5.706 14.544 -0.091 149 1HG2 VAL 66 1HG2 VAL 66 4.593 14.786 3.743 150 2HG2 VAL 66 2HG2 VAL 66 4.756 16.065 2.515 151 3HG2 VAL 66 3HG2 VAL 66 3.184 15.267 2.767 152 H ALA 67 H ALA 67 5.810 11.510 1.433 153 HA ALA 67 HA ALA 67 5.591 10.805 -1.221 154 1HB ALA 67 1HB ALA 67 6.909 9.212 1.012 155 2HB ALA 67 2HB ALA 67 7.336 9.194 -0.716 156 3HB ALA 67 3HB ALA 67 7.618 10.660 0.255 157 H VAL 68 H VAL 68 4.342 9.183 1.743 158 HA VAL 68 HA VAL 68 3.551 6.810 0.567 159 HB VAL 68 HB VAL 68 2.494 8.407 2.898 160 1HG1 VAL 68 1HG1 VAL 68 1.648 5.877 3.419 161 2HG1 VAL 68 2HG1 VAL 68 0.628 7.143 2.696 162 3HG1 VAL 68 3HG1 VAL 68 1.424 5.940 1.654 163 1HG2 VAL 68 1HG2 VAL 68 3.955 7.253 4.208 164 2HG2 VAL 68 2HG2 VAL 68 3.865 5.782 3.209 165 3HG2 VAL 68 3HG2 VAL 68 4.863 7.156 2.680 166 H ILE 69 H ILE 69 1.497 9.736 1.255 167 HA ILE 69 HA ILE 69 -0.782 8.832 0.069 168 HB ILE 69 HB ILE 69 0.393 11.550 0.499 169 1HG1 ILE 69 1HG1 ILE 69 -2.195 10.465 1.586 170 2HG1 ILE 69 2HG1 ILE 69 -0.667 9.971 2.287 171 1HG2 ILE 69 1HG2 ILE 69 -1.772 12.540 -0.224 172 2HG2 ILE 69 2HG2 ILE 69 -0.818 11.845 -1.556 173 3HG2 ILE 69 3HG2 ILE 69 -2.221 10.961 -0.911 174 1HD1 ILE 69 1HD1 ILE 69 -1.886 12.083 3.260 175 2HD1 ILE 69 2HD1 ILE 69 -0.125 12.154 3.006 176 3HD1 ILE 69 3HD1 ILE 69 -1.226 12.915 1.832 177 H LYS 70 H LYS 70 2.159 10.188 -1.448 178 HA LYS 70 HA LYS 70 1.025 10.527 -4.000 179 1HB LYS 70 1HB LYS 70 3.825 10.361 -2.908 180 2HB LYS 70 2HB LYS 70 3.556 10.379 -4.638 181 1HG LYS 70 1HG LYS 70 2.150 12.480 -4.334 182 2HG LYS 70 2HG LYS 70 2.606 12.485 -2.641 183 1HD LYS 70 1HD LYS 70 5.054 12.502 -3.395 184 2HD LYS 70 2HD LYS 70 4.483 12.732 -5.036 185 1HE LYS 70 1HE LYS 70 3.700 14.587 -2.742 186 2HE LYS 70 2HE LYS 70 5.101 14.872 -3.757 187 1HZ LYS 70 1HZ LYS 70 3.611 15.940 -4.998 188 2HZ LYS 70 2HZ LYS 70 3.218 14.462 -5.572 189 3HZ LYS 70 3HZ LYS 70 2.320 15.144 -4.390 190 H ALA 71 H ALA 71 3.040 7.873 -2.557 191 HA ALA 71 HA ALA 71 3.054 6.238 -4.779 192 1HB ALA 71 1HB ALA 71 3.095 4.463 -2.716 193 2HB ALA 71 2HB ALA 71 4.495 5.454 -3.190 194 3HB ALA 71 3HB ALA 71 3.455 5.969 -1.841 195 H VAL 72 H VAL 72 0.650 6.524 -2.095 196 HA VAL 72 HA VAL 72 -0.955 4.394 -2.848 197 HB VAL 72 HB VAL 72 -1.601 7.016 -1.491 198 1HG1 VAL 72 1HG1 VAL 72 -3.387 4.995 -0.641 199 2HG1 VAL 72 2HG1 VAL 72 -3.760 6.459 -1.584 200 3HG1 VAL 72 3HG1 VAL 72 -3.372 4.937 -2.421 201 1HG2 VAL 72 1HG2 VAL 72 -1.698 5.018 0.403 202 2HG2 VAL 72 2HG2 VAL 72 -0.345 4.501 -0.633 203 3HG2 VAL 72 3HG2 VAL 72 -0.323 6.113 0.122 204 H ARG 73 H ARG 73 -1.761 7.894 -3.407 205 HA ARG 73 HA ARG 73 -3.767 7.472 -5.123 206 1HB ARG 73 1HB ARG 73 -3.081 9.700 -4.224 207 2HB ARG 73 2HB ARG 73 -1.676 9.703 -5.271 208 1HG ARG 73 1HG ARG 73 -3.072 9.765 -7.274 209 2HG ARG 73 2HG ARG 73 -4.527 9.495 -6.335 210 1HD ARG 73 1HD ARG 73 -4.519 11.681 -5.429 211 2HD ARG 73 2HD ARG 73 -2.798 11.893 -5.682 212 HE ARG 73 HE ARG 73 -4.915 12.395 -7.628 213 1HH1 ARG 73 2HH2 ARG 73 -1.527 11.507 -7.301 214 2HH1 ARG 73 1HH2 ARG 73 -1.068 12.193 -8.823 215 1HH2 ARG 73 2HH1 ARG 73 -4.313 13.289 -9.644 216 2HH2 ARG 73 1HH1 ARG 73 -2.669 13.188 -10.177 217 H GLY 74 H GLY 74 -0.267 7.246 -5.735 218 1HA GLY 74 1HA GLY 74 -0.398 7.407 -8.577 219 2HA GLY 74 2HA GLY 74 0.947 6.852 -7.598 220 H ALA 75 H ALA 75 -0.647 4.783 -6.143 221 HA ALA 75 HA ALA 75 -0.357 2.758 -8.187 222 1HB ALA 75 1HB ALA 75 -0.978 2.545 -5.214 223 2HB ALA 75 2HB ALA 75 -0.494 1.214 -6.292 224 3HB ALA 75 3HB ALA 75 0.654 2.524 -5.923 225 H THR 76 H THR 76 -2.855 4.659 -6.662 226 HA THR 76 HA THR 76 -4.880 2.774 -7.681 227 HB THR 76 HB THR 76 -6.308 3.631 -5.829 228 HG1 THR 76 1HG THR 76 -5.003 5.092 -4.315 229 1HG2 THR 76 1HG2 THR 76 -4.513 1.792 -5.346 230 2HG2 THR 76 2HG2 THR 76 -3.562 3.104 -4.612 231 3HG2 THR 76 3HG2 THR 76 -5.158 2.682 -3.946 232 H GLY 77 H GLY 77 -4.890 6.249 -6.669 233 1HA GLY 77 1HA GLY 77 -4.925 7.926 -8.450 234 2HA GLY 77 2HA GLY 77 -5.985 6.860 -9.351 235 H LEU 78 H LEU 78 -6.419 6.890 -5.868 236 HA LEU 78 HA LEU 78 -9.044 7.923 -6.128 237 1HB LEU 78 1HB LEU 78 -7.298 7.181 -3.789 238 2HB LEU 78 2HB LEU 78 -8.904 7.847 -3.581 239 HG LEU 78 HG LEU 78 -8.386 5.357 -5.216 240 1HD1 LEU 78 1HD1 LEU 78 -9.237 4.149 -3.133 241 2HD1 LEU 78 2HD1 LEU 78 -7.557 4.734 -3.112 242 3HD1 LEU 78 3HD1 LEU 78 -8.822 5.634 -2.244 243 1HD2 LEU 78 1HD2 LEU 78 -10.502 6.342 -5.716 244 2HD2 LEU 78 2HD2 LEU 78 -10.796 4.930 -4.671 245 3HD2 LEU 78 3HD2 LEU 78 -10.871 6.573 -3.989 246 H GLY 79 H GLY 79 -9.901 9.886 -5.137 247 1HA GLY 79 1HA GLY 79 -8.550 12.202 -5.806 248 2HA GLY 79 2HA GLY 79 -9.889 12.086 -4.682 249 H LEU 80 H LEU 80 -7.330 13.745 -4.654 250 HA LEU 80 HA LEU 80 -5.433 12.944 -2.932 251 1HB LEU 80 1HB LEU 80 -5.885 15.200 -4.133 252 2HB LEU 80 2HB LEU 80 -6.682 15.659 -2.641 253 HG LEU 80 HG LEU 80 -4.116 14.543 -1.996 254 1HD1 LEU 80 1HD1 LEU 80 -4.074 16.667 -4.151 255 2HD1 LEU 80 2HD1 LEU 80 -2.691 16.277 -3.100 256 3HD1 LEU 80 3HD1 LEU 80 -3.346 15.042 -4.203 257 1HD2 LEU 80 1HD2 LEU 80 -5.275 17.333 -1.779 258 2HD2 LEU 80 2HD2 LEU 80 -5.314 16.049 -0.547 259 3HD2 LEU 80 3HD2 LEU 80 -3.763 16.791 -1.009 260 H LYS 81 H LYS 81 -8.706 14.205 -2.030 261 HA LYS 81 HA LYS 81 -8.298 14.079 0.720 262 1HB LYS 81 1HB LYS 81 -10.112 15.318 -0.461 263 2HB LYS 81 2HB LYS 81 -10.899 13.792 -0.811 264 1HG LYS 81 1HG LYS 81 -10.438 13.572 1.922 265 2HG LYS 81 2HG LYS 81 -10.738 15.290 1.751 266 1HD LYS 81 1HD LYS 81 -12.803 14.523 0.278 267 2HD LYS 81 2HD LYS 81 -12.579 12.977 1.073 268 1HE LYS 81 1HE LYS 81 -12.677 15.495 2.754 269 2HE LYS 81 2HE LYS 81 -14.175 14.822 2.143 270 1HZ LYS 81 1HZ LYS 81 -13.147 14.028 4.375 271 2HZ LYS 81 2HZ LYS 81 -13.941 12.980 3.408 272 3HZ LYS 81 3HZ LYS 81 -12.307 13.007 3.416 273 H GLU 82 H GLU 82 -10.155 11.749 -1.370 274 HA GLU 82 HA GLU 82 -10.693 9.900 0.453 275 1HB GLU 82 1HB GLU 82 -9.866 9.589 -2.453 276 2HB GLU 82 2HB GLU 82 -10.352 8.198 -1.502 277 1HG GLU 82 1HG GLU 82 -12.143 10.620 -1.427 278 2HG GLU 82 2HG GLU 82 -12.130 9.674 -2.902 279 H ALA 83 H ALA 83 -7.557 10.229 -1.327 280 HA ALA 83 HA ALA 83 -6.389 7.915 -0.289 281 1HB ALA 83 1HB ALA 83 -4.245 9.377 -0.859 282 2HB ALA 83 2HB ALA 83 -5.303 8.763 -2.152 283 3HB ALA 83 3HB ALA 83 -5.452 10.451 -1.604 284 H LYS 84 H LYS 84 -6.372 11.359 0.822 285 HA LYS 84 HA LYS 84 -4.578 11.022 2.904 286 1HB LYS 84 1HB LYS 84 -5.424 13.178 1.924 287 2HB LYS 84 2HB LYS 84 -6.918 12.944 2.806 288 1HG LYS 84 1HG LYS 84 -5.505 12.750 4.944 289 2HG LYS 84 2HG LYS 84 -4.124 13.253 3.990 290 1HD LYS 84 1HD LYS 84 -4.922 15.285 4.915 291 2HD LYS 84 2HD LYS 84 -5.562 15.303 3.283 292 1HE LYS 84 1HE LYS 84 -7.761 14.592 4.039 293 2HE LYS 84 2HE LYS 84 -7.159 14.207 5.641 294 1HZ LYS 84 1HZ LYS 84 -7.000 16.402 6.177 295 2HZ LYS 84 2HZ LYS 84 -6.850 16.921 4.635 296 3HZ LYS 84 3HZ LYS 84 -8.309 16.445 5.199 297 H ASP 85 H ASP 85 -8.205 10.850 2.930 298 HA ASP 85 HA ASP 85 -8.479 10.363 5.585 299 1HB ASP 85 1HB ASP 85 -10.073 9.375 3.185 300 2HB ASP 85 2HB ASP 85 -10.601 9.065 4.828 301 H LEU 86 H LEU 86 -8.055 8.048 2.818 302 HA LEU 86 HA LEU 86 -8.347 5.678 4.131 303 1HB LEU 86 1HB LEU 86 -8.112 5.926 1.724 304 2HB LEU 86 2HB LEU 86 -6.434 6.396 1.905 305 HG LEU 86 HG LEU 86 -6.897 3.837 3.182 306 1HD1 LEU 86 1HD1 LEU 86 -8.748 3.879 1.397 307 2HD1 LEU 86 2HD1 LEU 86 -7.423 3.760 0.216 308 3HD1 LEU 86 3HD1 LEU 86 -7.647 2.483 1.436 309 1HD2 LEU 86 1HD2 LEU 86 -5.092 3.154 1.572 310 2HD2 LEU 86 2HD2 LEU 86 -5.150 4.804 0.908 311 3HD2 LEU 86 3HD2 LEU 86 -4.696 4.545 2.610 312 H VAL 87 H VAL 87 -5.239 7.507 3.667 313 HA VAL 87 HA VAL 87 -3.705 5.721 5.143 314 HB VAL 87 HB VAL 87 -3.376 8.661 4.529 315 1HG1 VAL 87 1HG1 VAL 87 -1.663 6.778 6.075 316 2HG1 VAL 87 2HG1 VAL 87 -0.842 7.828 4.895 317 3HG1 VAL 87 3HG1 VAL 87 -1.826 8.547 6.193 318 1HG2 VAL 87 1HG2 VAL 87 -2.376 8.062 2.573 319 2HG2 VAL 87 2HG2 VAL 87 -1.719 6.548 3.240 320 3HG2 VAL 87 3HG2 VAL 87 -3.430 6.640 2.758 321 H GLU 88 H GLU 88 -5.693 8.550 6.100 322 HA GLU 88 HA GLU 88 -4.563 8.712 8.664 323 1HB GLU 88 1HB GLU 88 -7.151 9.817 7.496 324 2HB GLU 88 2HB GLU 88 -6.583 10.204 9.108 325 1HG GLU 88 1HG GLU 88 -4.569 10.545 6.922 326 2HG GLU 88 2HG GLU 88 -5.927 11.649 6.871 327 H SER 89 H SER 89 -6.796 6.532 7.201 328 HA SER 89 HA SER 89 -7.959 5.910 9.794 329 1HB SER 89 1HB SER 89 -9.527 4.459 8.308 330 2HB SER 89 2HB SER 89 -9.725 6.200 8.259 331 HG SER 89 HG SER 89 -9.105 6.248 6.201 332 H ALA 90 H ALA 90 -5.168 5.224 8.716 333 HA ALA 90 HA ALA 90 -4.990 2.570 7.991 334 1HB ALA 90 1HB ALA 90 -3.142 4.307 9.676 335 2HB ALA 90 2HB ALA 90 -2.687 2.744 8.955 336 3HB ALA 90 3HB ALA 90 -3.111 4.119 7.906 337 HA PRO 91 HA PRO 91 -3.707 1.006 8.418 338 1HB PRO 91 1HB PRO 91 -4.225 -1.678 8.440 339 2HB PRO 91 2HB PRO 91 -2.874 -0.956 9.290 340 1HG PRO 91 1HG PRO 91 -5.416 -1.990 10.388 341 2HG PRO 91 2HG PRO 91 -3.910 -1.667 11.225 342 1HD PRO 91 1HD PRO 91 -6.277 -0.047 11.264 343 2HD PRO 91 2HD PRO 91 -4.735 0.333 12.004 344 H ALA 92 H ALA 92 -4.113 0.322 6.227 345 HA ALA 92 HA ALA 92 -6.920 -0.165 5.681 346 1HB ALA 92 1HB ALA 92 -6.900 2.242 5.677 347 2HB ALA 92 2HB ALA 92 -5.391 2.287 4.735 348 3HB ALA 92 3HB ALA 92 -6.896 1.715 3.976 349 H ALA 93 H ALA 93 -7.184 -1.472 3.883 350 HA ALA 93 HA ALA 93 -4.847 -2.633 2.768 351 1HB ALA 93 1HB ALA 93 -7.107 -3.735 3.189 352 2HB ALA 93 2HB ALA 93 -7.711 -2.842 1.774 353 3HB ALA 93 3HB ALA 93 -6.397 -4.027 1.582 354 H LEU 94 H LEU 94 -3.679 -2.015 1.010 355 HA LEU 94 HA LEU 94 -4.586 0.331 -0.412 356 1HB LEU 94 1HB LEU 94 -2.040 -1.088 0.041 357 2HB LEU 94 2HB LEU 94 -2.216 -0.366 -1.546 358 HG LEU 94 HG LEU 94 -2.570 1.139 1.059 359 1HD1 LEU 94 1HD1 LEU 94 -0.370 2.072 0.710 360 2HD1 LEU 94 2HD1 LEU 94 -0.260 0.296 0.766 361 3HD1 LEU 94 3HD1 LEU 94 -0.175 1.145 -0.796 362 1HD2 LEU 94 1HD2 LEU 94 -1.912 2.815 -1.152 363 2HD2 LEU 94 2HD2 LEU 94 -3.286 1.784 -1.618 364 3HD2 LEU 94 3HD2 LEU 94 -3.389 2.798 -0.159 365 H LYS 95 H LYS 95 -3.649 -3.096 -1.134 366 HA LYS 95 HA LYS 95 -5.522 -3.017 -3.353 367 1HB LYS 95 1HB LYS 95 -2.770 -4.105 -3.882 368 2HB LYS 95 2HB LYS 95 -4.010 -3.622 -5.021 369 1HG LYS 95 1HG LYS 95 -3.724 -1.219 -4.141 370 2HG LYS 95 2HG LYS 95 -2.317 -1.790 -3.265 371 1HD LYS 95 1HD LYS 95 -2.702 -1.995 -6.290 372 2HD LYS 95 2HD LYS 95 -1.715 -0.793 -5.481 373 1HE LYS 95 1HE LYS 95 -0.579 -2.965 -4.373 374 2HE LYS 95 2HE LYS 95 -1.220 -3.755 -5.801 375 1HZ LYS 95 1HZ LYS 95 0.206 -2.669 -7.109 376 2HZ LYS 95 2HZ LYS 95 0.122 -1.263 -6.284 377 3HZ LYS 95 3HZ LYS 95 1.083 -2.469 -5.745 378 H GLU 96 H GLU 96 -6.122 -5.206 -4.087 379 HA GLU 96 HA GLU 96 -5.404 -7.230 -2.129 380 1HB GLU 96 1HB GLU 96 -8.247 -6.544 -2.997 381 2HB GLU 96 2HB GLU 96 -7.814 -7.940 -2.030 382 1HG GLU 96 1HG GLU 96 -6.743 -6.309 -0.354 383 2HG GLU 96 2HG GLU 96 -7.474 -5.006 -1.269 384 H GLY 97 H GLY 97 -4.828 -9.139 -3.096 385 1HA GLY 97 1HA GLY 97 -4.683 -10.784 -4.623 386 2HA GLY 97 2HA GLY 97 -6.189 -10.222 -5.322 387 H VAL 98 H VAL 98 -2.878 -8.747 -4.969 388 HA VAL 98 HA VAL 98 -2.983 -8.209 -7.854 389 HB VAL 98 HB VAL 98 -1.342 -6.419 -7.325 390 1HG1 VAL 98 1HG1 VAL 98 -2.967 -4.844 -6.741 391 2HG1 VAL 98 2HG1 VAL 98 -3.923 -6.177 -7.432 392 3HG1 VAL 98 3HG1 VAL 98 -3.822 -5.976 -5.666 393 1HG2 VAL 98 1HG2 VAL 98 -0.621 -7.523 -5.132 394 2HG2 VAL 98 2HG2 VAL 98 -0.834 -5.755 -5.115 395 3HG2 VAL 98 3HG2 VAL 98 -2.089 -6.810 -4.420 396 H SER 99 H SER 99 -0.848 -8.324 -8.997 397 HA SER 99 HA SER 99 0.289 -10.797 -8.562 398 1HB SER 99 1HB SER 99 1.987 -10.056 -10.249 399 2HB SER 99 2HB SER 99 0.338 -9.742 -10.752 400 HG SER 99 HG SER 99 0.605 -7.570 -10.493 401 H LYS 100 H LYS 100 2.346 -11.449 -7.690 402 HA LYS 100 HA LYS 100 3.105 -10.094 -5.382 403 1HB LYS 100 1HB LYS 100 3.391 -12.494 -5.688 404 2HB LYS 100 2HB LYS 100 4.540 -12.230 -6.983 405 1HG LYS 100 1HG LYS 100 5.121 -10.864 -4.370 406 2HG LYS 100 2HG LYS 100 5.293 -12.608 -4.399 407 1HD LYS 100 1HD LYS 100 6.541 -10.947 -6.607 408 2HD LYS 100 2HD LYS 100 7.346 -11.065 -5.055 409 1HE LYS 100 1HE LYS 100 7.340 -13.557 -5.228 410 2HE LYS 100 2HE LYS 100 6.502 -13.455 -6.764 411 1HZ LYS 100 1HZ LYS 100 8.984 -13.661 -6.828 412 2HZ LYS 100 2HZ LYS 100 8.345 -12.475 -7.750 413 3HZ LYS 100 3HZ LYS 100 9.064 -12.107 -6.331 414 H ASP 101 H ASP 101 4.424 -10.076 -8.729 415 HA ASP 101 HA ASP 101 6.778 -8.812 -8.183 416 1HB ASP 101 1HB ASP 101 4.918 -8.711 -10.592 417 2HB ASP 101 2HB ASP 101 6.461 -7.880 -10.600 418 H ASP 102 H ASP 102 3.449 -7.538 -8.739 419 HA ASP 102 HA ASP 102 4.277 -4.849 -8.850 420 1HB ASP 102 1HB ASP 102 1.622 -6.284 -8.541 421 2HB ASP 102 2HB ASP 102 1.693 -4.544 -8.348 422 H ALA 103 H ALA 103 3.222 -7.177 -6.355 423 HA ALA 103 HA ALA 103 2.511 -5.341 -4.363 424 1HB ALA 103 1HB ALA 103 3.657 -8.134 -4.004 425 2HB ALA 103 2HB ALA 103 2.565 -7.258 -2.905 426 3HB ALA 103 3HB ALA 103 1.975 -7.814 -4.490 427 H GLU 104 H GLU 104 5.616 -7.048 -5.124 428 HA GLU 104 HA GLU 104 6.924 -5.925 -2.911 429 1HB GLU 104 1HB GLU 104 7.672 -7.580 -5.287 430 2HB GLU 104 2HB GLU 104 8.976 -6.672 -4.547 431 1HG GLU 104 1HG GLU 104 8.093 -7.641 -2.277 432 2HG GLU 104 2HG GLU 104 7.195 -8.778 -3.265 433 H ALA 105 H ALA 105 6.497 -4.992 -6.334 434 HA ALA 105 HA ALA 105 8.542 -3.091 -6.456 435 1HB ALA 105 1HB ALA 105 7.668 -3.745 -8.517 436 2HB ALA 105 2HB ALA 105 5.982 -3.651 -7.950 437 3HB ALA 105 3HB ALA 105 6.891 -2.158 -8.289 438 H LEU 106 H LEU 106 5.031 -2.831 -5.589 439 HA LEU 106 HA LEU 106 5.142 -0.049 -5.166 440 1HB LEU 106 1HB LEU 106 3.126 -1.453 -5.676 441 2HB LEU 106 2HB LEU 106 3.183 -2.043 -4.027 442 HG LEU 106 HG LEU 106 1.632 -0.023 -4.751 443 1HD1 LEU 106 1HD1 LEU 106 1.832 0.848 -2.370 444 2HD1 LEU 106 2HD1 LEU 106 1.504 -0.891 -2.564 445 3HD1 LEU 106 3HD1 LEU 106 3.144 -0.336 -2.156 446 1HD2 LEU 106 1HD2 LEU 106 2.607 2.154 -4.277 447 2HD2 LEU 106 2HD2 LEU 106 4.197 1.404 -3.996 448 3HD2 LEU 106 3HD2 LEU 106 3.467 1.362 -5.618 449 H LYS 107 H LYS 107 5.011 -2.830 -2.825 450 HA LYS 107 HA LYS 107 5.279 -1.466 -0.515 451 1HB LYS 107 1HB LYS 107 4.939 -3.818 -0.488 452 2HB LYS 107 2HB LYS 107 6.419 -4.130 -1.375 453 1HG LYS 107 1HG LYS 107 7.752 -3.226 0.548 454 2HG LYS 107 2HG LYS 107 6.269 -2.931 1.433 455 1HD LYS 107 1HD LYS 107 5.776 -5.274 1.621 456 2HD LYS 107 2HD LYS 107 6.922 -5.702 0.366 457 1HE LYS 107 1HE LYS 107 8.817 -5.230 1.781 458 2HE LYS 107 2HE LYS 107 7.832 -4.373 2.950 459 1HZ LYS 107 1HZ LYS 107 8.500 -6.838 3.306 460 2HZ LYS 107 2HZ LYS 107 7.036 -6.298 3.794 461 3HZ LYS 107 3HZ LYS 107 7.174 -7.143 2.402 462 H LYS 108 H LYS 108 7.920 -2.371 -2.811 463 HA LYS 108 HA LYS 108 10.022 -1.610 -1.178 464 1HB LYS 108 1HB LYS 108 9.659 -1.941 -4.145 465 2HB LYS 108 2HB LYS 108 11.158 -1.281 -3.523 466 1HG LYS 108 1HG LYS 108 10.132 -3.737 -2.142 467 2HG LYS 108 2HG LYS 108 10.694 -3.959 -3.787 468 1HD LYS 108 1HD LYS 108 12.381 -2.438 -1.764 469 2HD LYS 108 2HD LYS 108 12.420 -4.190 -1.824 470 1HE LYS 108 1HE LYS 108 13.042 -4.085 -4.254 471 2HE LYS 108 2HE LYS 108 13.020 -2.335 -4.179 472 1HZ LYS 108 1HZ LYS 108 15.095 -2.465 -3.504 473 2HZ LYS 108 2HZ LYS 108 14.606 -3.156 -2.107 474 3HZ LYS 108 3HZ LYS 108 15.046 -4.092 -3.372 475 H ALA 109 H ALA 109 7.951 0.295 -3.413 476 HA ALA 109 HA ALA 109 9.550 2.600 -3.374 477 1HB ALA 109 1HB ALA 109 6.546 2.386 -3.800 478 2HB ALA 109 2HB ALA 109 7.636 3.652 -4.412 479 3HB ALA 109 3HB ALA 109 7.758 1.991 -5.042 480 H LEU 110 H LEU 110 6.726 1.514 -1.392 481 HA LEU 110 HA LEU 110 6.561 3.886 0.101 482 1HB LEU 110 1HB LEU 110 5.597 1.066 0.537 483 2HB LEU 110 2HB LEU 110 5.316 2.337 1.711 484 HG LEU 110 HG LEU 110 4.139 3.654 -0.066 485 1HD1 LEU 110 1HD1 LEU 110 3.367 2.390 -2.084 486 2HD1 LEU 110 2HD1 LEU 110 5.106 2.772 -2.064 487 3HD1 LEU 110 3HD1 LEU 110 4.552 1.126 -1.678 488 1HD2 LEU 110 1HD2 LEU 110 2.101 2.615 0.286 489 2HD2 LEU 110 2HD2 LEU 110 2.793 0.979 0.184 490 3HD2 LEU 110 3HD2 LEU 110 3.087 1.980 1.625 491 H GLU 111 H GLU 111 8.424 0.839 0.474 492 HA GLU 111 HA GLU 111 9.287 1.346 3.056 493 1HB GLU 111 1HB GLU 111 10.255 -0.368 0.770 494 2HB GLU 111 2HB GLU 111 11.294 -0.179 2.169 495 1HG GLU 111 1HG GLU 111 9.418 -0.926 3.656 496 2HG GLU 111 2HG GLU 111 8.391 -1.131 2.251 497 H GLU 112 H GLU 112 10.725 2.144 -0.169 498 HA GLU 112 HA GLU 112 13.077 3.197 0.742 499 1HB GLU 112 1HB GLU 112 11.355 3.716 -1.690 500 2HB GLU 112 2HB GLU 112 12.793 4.684 -1.433 501 1HG GLU 112 1HG GLU 112 14.201 2.659 -1.354 502 2HG GLU 112 2HG GLU 112 12.786 1.630 -1.451 503 H ALA 113 H ALA 113 9.789 4.555 0.726 504 HA ALA 113 HA ALA 113 10.710 7.228 1.252 505 1HB ALA 113 1HB ALA 113 8.729 7.283 0.070 506 2HB ALA 113 2HB ALA 113 8.097 5.810 0.849 507 3HB ALA 113 3HB ALA 113 8.080 7.359 1.727 508 H GLY 114 H GLY 114 9.956 4.311 3.044 509 1HA GLY 114 1HA GLY 114 10.625 4.022 5.253 510 2HA GLY 114 2HA GLY 114 10.538 5.751 5.528 511 H ALA 115 H ALA 115 8.246 3.185 4.324 512 HA ALA 115 HA ALA 115 6.405 4.049 6.440 513 1HB ALA 115 1HB ALA 115 4.597 4.139 4.949 514 2HB ALA 115 2HB ALA 115 5.918 4.869 4.004 515 3HB ALA 115 3HB ALA 115 5.443 3.178 3.712 516 H GLU 116 H GLU 116 5.077 2.359 7.315 517 HA GLU 116 HA GLU 116 6.359 -0.194 7.030 518 1HB GLU 116 1HB GLU 116 5.767 0.829 9.272 519 2HB GLU 116 2HB GLU 116 4.072 0.619 8.877 520 1HG GLU 116 1HG GLU 116 4.424 -1.841 8.636 521 2HG GLU 116 2HG GLU 116 6.126 -1.641 8.998 522 H VAL 117 H VAL 117 5.620 -1.779 5.686 523 HA VAL 117 HA VAL 117 2.820 -1.560 4.818 524 HB VAL 117 HB VAL 117 5.264 -2.580 3.357 525 1HG1 VAL 117 1HG1 VAL 117 2.346 -2.533 2.524 526 2HG1 VAL 117 2HG1 VAL 117 3.706 -2.820 1.412 527 3HG1 VAL 117 3HG1 VAL 117 3.387 -3.960 2.740 528 1HG2 VAL 117 1HG2 VAL 117 5.515 -0.417 2.830 529 2HG2 VAL 117 2HG2 VAL 117 4.053 -0.603 1.832 530 3HG2 VAL 117 3HG2 VAL 117 3.921 0.016 3.495 531 H GLU 118 H GLU 118 1.778 -3.688 4.278 532 HA GLU 118 HA GLU 118 3.017 -5.872 5.743 533 1HB GLU 118 1HB GLU 118 1.416 -5.118 7.329 534 2HB GLU 118 2HB GLU 118 0.220 -4.762 6.098 535 1HG GLU 118 1HG GLU 118 -0.061 -7.180 5.625 536 2HG GLU 118 2HG GLU 118 1.202 -7.575 6.775 537 H VAL 119 H VAL 119 2.910 -7.848 4.686 538 HA VAL 119 HA VAL 119 1.290 -7.866 2.233 539 HB VAL 119 HB VAL 119 3.870 -9.302 2.897 540 1HG1 VAL 119 1HG1 VAL 119 2.104 -9.366 0.433 541 2HG1 VAL 119 2HG1 VAL 119 3.802 -9.896 0.435 542 3HG1 VAL 119 3HG1 VAL 119 2.611 -10.729 1.460 543 1HG2 VAL 119 1HG2 VAL 119 3.414 -6.658 1.990 544 2HG2 VAL 119 2HG2 VAL 119 4.961 -7.537 2.078 545 3HG2 VAL 119 3HG2 VAL 119 3.993 -7.585 0.585 546 H LYS 120 H LYS 120 -0.460 -9.168 2.304 547 HA LYS 120 HA LYS 120 -0.270 -11.567 3.972 548 1HB LYS 120 1HB LYS 120 -1.667 -9.341 4.779 549 2HB LYS 120 2HB LYS 120 -2.913 -10.264 3.960 550 1HG LYS 120 1HG LYS 120 -2.613 -12.164 5.385 551 2HG LYS 120 2HG LYS 120 -1.047 -11.613 5.944 552 1HD LYS 120 1HD LYS 120 -2.254 -9.595 6.989 553 2HD LYS 120 2HD LYS 120 -3.765 -10.399 6.612 554 1HE LYS 120 1HE LYS 120 -3.102 -12.358 7.985 555 2HE LYS 120 2HE LYS 120 -1.539 -11.633 8.305 556 1HZ LYS 120 1HZ LYS 120 -2.440 -10.480 9.929 557 2HZ LYS 120 2HZ LYS 120 -3.567 -9.819 8.950 558 3HZ LYS 120 3HZ LYS 120 -3.868 -11.239 9.698 Start of MODEL 17 1 1H ALA 47 H ALA 47 2.141 -26.994 3.292 2 HA ALA 47 HA ALA 47 2.509 -24.610 1.786 3 1HB ALA 47 1HB ALA 47 4.125 -26.673 3.209 4 2HB ALA 47 2HB ALA 47 4.933 -25.817 1.873 5 3HB ALA 47 3HB ALA 47 4.255 -24.897 3.237 6 H ALA 48 H ALA 48 4.221 -24.843 -0.138 7 HA ALA 48 HA ALA 48 4.654 -25.535 -2.196 8 1HB ALA 48 1HB ALA 48 4.693 -27.847 -2.692 9 2HB ALA 48 2HB ALA 48 4.933 -27.775 -0.930 10 3HB ALA 48 3HB ALA 48 3.337 -28.196 -1.595 11 H GLU 49 H GLU 49 2.693 -23.823 -2.174 12 HA GLU 49 HA GLU 49 0.741 -25.020 -3.959 13 1HB GLU 49 1HB GLU 49 0.176 -23.405 -1.461 14 2HB GLU 49 2HB GLU 49 -0.941 -23.335 -2.809 15 1HG GLU 49 1HG GLU 49 -1.100 -25.853 -2.769 16 2HG GLU 49 2HG GLU 49 -0.044 -25.878 -1.371 17 H GLU 50 H GLU 50 -0.439 -23.274 -5.276 18 HA GLU 50 HA GLU 50 1.549 -21.380 -6.093 19 1HB GLU 50 1HB GLU 50 -0.970 -22.522 -7.227 20 2HB GLU 50 2HB GLU 50 -0.583 -20.891 -7.733 21 1HG GLU 50 1HG GLU 50 0.461 -22.389 -9.319 22 2HG GLU 50 2HG GLU 50 1.746 -21.695 -8.351 23 H LYS 51 H LYS 51 1.659 -19.330 -5.294 24 HA LYS 51 HA LYS 51 -0.863 -18.126 -4.395 25 1HB LYS 51 1HB LYS 51 1.807 -18.208 -2.989 26 2HB LYS 51 2HB LYS 51 0.628 -16.958 -2.650 27 1HG LYS 51 1HG LYS 51 -1.036 -18.591 -1.955 28 2HG LYS 51 2HG LYS 51 -0.069 -19.925 -2.553 29 1HD LYS 51 1HD LYS 51 1.712 -18.714 -0.813 30 2HD LYS 51 2HD LYS 51 0.188 -18.388 -0.014 31 1HE LYS 51 1HE LYS 51 1.047 -21.163 -0.962 32 2HE LYS 51 2HE LYS 51 1.277 -20.578 0.673 33 1HZ LYS 51 1HZ LYS 51 -1.047 -21.600 -0.500 34 2HZ LYS 51 2HZ LYS 51 -0.773 -21.227 1.066 35 3HZ LYS 51 3HZ LYS 51 -1.345 -20.089 0.044 36 H THR 52 H THR 52 -1.193 -16.956 -6.305 37 HA THR 52 HA THR 52 0.926 -14.994 -6.899 38 HB THR 52 HB THR 52 -0.091 -15.088 -9.248 39 HG1 THR 52 1HG THR 52 -2.134 -16.029 -8.511 40 1HG2 THR 52 1HG2 THR 52 1.927 -16.507 -8.687 41 2HG2 THR 52 2HG2 THR 52 0.827 -17.800 -8.153 42 3HG2 THR 52 3HG2 THR 52 0.845 -17.295 -9.860 43 H GLU 53 H GLU 53 -1.246 -14.860 -4.849 44 HA GLU 53 HA GLU 53 -2.391 -12.410 -5.878 45 1HB GLU 53 1HB GLU 53 -3.961 -14.757 -4.759 46 2HB GLU 53 2HB GLU 53 -4.600 -13.126 -4.692 47 1HG GLU 53 1HG GLU 53 -4.195 -12.962 -7.218 48 2HG GLU 53 2HG GLU 53 -3.803 -14.671 -7.200 49 H PHE 54 H PHE 54 -1.191 -11.084 -4.510 50 HA PHE 54 HA PHE 54 -1.420 -11.691 -1.647 51 1HB PHE 54 1HB PHE 54 0.572 -9.981 -3.257 52 2HB PHE 54 2HB PHE 54 0.675 -10.264 -1.530 53 HD1 PHE 54 1HD PHE 54 0.921 -11.900 -4.833 54 HD2 PHE 54 2HD PHE 54 1.671 -12.237 -0.669 55 HE1 PHE 54 1HE PHE 54 2.318 -13.942 -5.249 56 HE2 PHE 54 2HE PHE 54 3.068 -14.280 -1.087 57 HZ PHE 54 HZ PHE 54 3.376 -15.108 -3.372 58 H ASP 55 H ASP 55 -1.829 -9.915 -0.174 59 HA ASP 55 HA ASP 55 -3.209 -7.745 -1.533 60 1HB ASP 55 1HB ASP 55 -3.446 -8.878 1.290 61 2HB ASP 55 2HB ASP 55 -4.252 -7.404 0.792 62 H VAL 56 H VAL 56 -2.624 -5.558 -1.006 63 HA VAL 56 HA VAL 56 -0.231 -5.326 0.680 64 HB VAL 56 HB VAL 56 -1.242 -3.693 -1.652 65 1HG1 VAL 56 1HG1 VAL 56 -0.342 -2.081 -0.171 66 2HG1 VAL 56 2HG1 VAL 56 1.006 -3.144 0.299 67 3HG1 VAL 56 3HG1 VAL 56 0.958 -2.435 -1.333 68 1HG2 VAL 56 1HG2 VAL 56 1.001 -4.354 -2.611 69 2HG2 VAL 56 2HG2 VAL 56 1.169 -5.486 -1.247 70 3HG2 VAL 56 3HG2 VAL 56 -0.163 -5.685 -2.411 71 H ILE 57 H ILE 57 -0.730 -4.668 2.707 72 HA ILE 57 HA ILE 57 -2.941 -2.753 2.960 73 HB ILE 57 HB ILE 57 -1.849 -4.862 4.803 74 1HG1 ILE 57 1HG1 ILE 57 -4.751 -4.429 4.264 75 2HG1 ILE 57 2HG1 ILE 57 -3.781 -5.078 2.958 76 1HG2 ILE 57 1HG2 ILE 57 -2.042 -2.910 6.187 77 2HG2 ILE 57 2HG2 ILE 57 -3.648 -2.533 5.518 78 3HG2 ILE 57 3HG2 ILE 57 -3.420 -3.984 6.525 79 1HD1 ILE 57 1HD1 ILE 57 -4.653 -6.945 4.252 80 2HD1 ILE 57 2HD1 ILE 57 -2.903 -6.840 4.559 81 3HD1 ILE 57 3HD1 ILE 57 -4.058 -6.229 5.770 82 H LEU 58 H LEU 58 -2.647 -0.863 4.245 83 HA LEU 58 HA LEU 58 0.186 -0.209 4.639 84 1HB LEU 58 1HB LEU 58 -0.924 1.189 3.019 85 2HB LEU 58 2HB LEU 58 -2.223 1.540 4.140 86 HG LEU 58 HG LEU 58 -0.486 2.628 5.644 87 1HD1 LEU 58 1HD1 LEU 58 1.586 3.411 4.497 88 2HD1 LEU 58 2HD1 LEU 58 1.533 1.658 4.793 89 3HD1 LEU 58 3HD1 LEU 58 1.215 2.292 3.162 90 1HD2 LEU 58 1HD2 LEU 58 -0.257 4.624 3.895 91 2HD2 LEU 58 2HD2 LEU 58 -1.462 3.649 3.021 92 3HD2 LEU 58 3HD2 LEU 58 -1.804 4.210 4.675 93 H LYS 59 H LYS 59 0.918 -0.234 6.690 94 HA LYS 59 HA LYS 59 -1.085 -0.284 8.803 95 1HB LYS 59 1HB LYS 59 1.696 -1.303 8.463 96 2HB LYS 59 2HB LYS 59 1.217 -0.824 10.078 97 1HG LYS 59 1HG LYS 59 -0.798 -2.298 9.920 98 2HG LYS 59 2HG LYS 59 -0.328 -2.772 8.300 99 1HD LYS 59 1HD LYS 59 0.545 -4.530 9.599 100 2HD LYS 59 2HD LYS 59 1.945 -3.497 9.394 101 1HE LYS 59 1HE LYS 59 1.326 -2.386 11.626 102 2HE LYS 59 2HE LYS 59 0.117 -3.639 11.835 103 1HZ LYS 59 1HZ LYS 59 1.678 -5.131 12.302 104 2HZ LYS 59 2HZ LYS 59 2.708 -4.625 11.139 105 3HZ LYS 59 3HZ LYS 59 2.661 -3.856 12.580 106 H ALA 60 H ALA 60 2.120 1.294 8.117 107 HA ALA 60 HA ALA 60 1.067 3.689 9.423 108 1HB ALA 60 1HB ALA 60 2.980 3.898 10.843 109 2HB ALA 60 2HB ALA 60 2.397 2.228 11.043 110 3HB ALA 60 3HB ALA 60 3.819 2.558 10.026 111 H ALA 61 H ALA 61 1.414 5.452 8.160 112 HA ALA 61 HA ALA 61 2.826 5.218 5.735 113 1HB ALA 61 1HB ALA 61 2.282 7.580 5.491 114 2HB ALA 61 2HB ALA 61 0.882 6.731 6.186 115 3HB ALA 61 3HB ALA 61 1.934 7.716 7.230 116 H GLY 62 H GLY 62 3.731 6.030 9.043 117 1HA GLY 62 1HA GLY 62 5.805 6.286 9.922 118 2HA GLY 62 2HA GLY 62 6.510 6.114 8.327 119 H ALA 63 H ALA 63 7.977 7.898 8.793 120 HA ALA 63 HA ALA 63 6.725 10.480 9.268 121 1HB ALA 63 1HB ALA 63 8.552 10.204 10.687 122 2HB ALA 63 2HB ALA 63 9.498 9.316 9.469 123 3HB ALA 63 3HB ALA 63 9.295 11.079 9.326 124 H ASN 64 H ASN 64 6.118 9.255 6.749 125 HA ASN 64 HA ASN 64 7.205 11.309 5.075 126 1HB ASN 64 1HB ASN 64 8.649 9.065 4.960 127 2HB ASN 64 2HB ASN 64 7.313 8.471 3.995 128 1HD2 ASN 64 1HD2 ASN 64 10.058 8.966 3.233 129 2HD2 ASN 64 2HD2 ASN 64 10.046 10.101 1.923 130 H LYS 65 H LYS 65 4.662 11.368 5.900 131 HA LYS 65 HA LYS 65 2.857 9.639 4.635 132 1HB LYS 65 1HB LYS 65 2.705 11.493 6.616 133 2HB LYS 65 2HB LYS 65 1.962 12.387 5.306 134 1HG LYS 65 1HG LYS 65 0.522 10.278 4.871 135 2HG LYS 65 2HG LYS 65 1.119 9.672 6.403 136 1HD LYS 65 1HD LYS 65 -0.105 12.445 6.244 137 2HD LYS 65 2HD LYS 65 -1.142 11.035 6.340 138 1HE LYS 65 1HE LYS 65 0.002 10.321 8.441 139 2HE LYS 65 2HE LYS 65 1.075 11.703 8.337 140 1HZ LYS 65 1HZ LYS 65 -0.485 12.707 9.520 141 2HZ LYS 65 2HZ LYS 65 -1.356 12.813 8.144 142 3HZ LYS 65 3HZ LYS 65 -1.634 11.594 9.195 143 H VAL 66 H VAL 66 4.694 12.427 3.530 144 HA VAL 66 HA VAL 66 2.944 13.230 1.481 145 HB VAL 66 HB VAL 66 5.914 13.565 1.918 146 1HG1 VAL 66 1HG1 VAL 66 4.107 14.830 -0.168 147 2HG1 VAL 66 2HG1 VAL 66 5.724 15.440 0.257 148 3HG1 VAL 66 3HG1 VAL 66 5.543 13.815 -0.444 149 1HG2 VAL 66 1HG2 VAL 66 3.522 15.356 2.442 150 2HG2 VAL 66 2HG2 VAL 66 4.628 14.642 3.639 151 3HG2 VAL 66 3HG2 VAL 66 5.214 15.900 2.525 152 H ALA 67 H ALA 67 5.952 11.189 1.445 153 HA ALA 67 HA ALA 67 5.777 10.596 -1.280 154 1HB ALA 67 1HB ALA 67 7.821 10.381 0.091 155 2HB ALA 67 2HB ALA 67 7.070 9.048 1.002 156 3HB ALA 67 3HB ALA 67 7.433 8.850 -0.729 157 H VAL 68 H VAL 68 4.492 8.974 1.671 158 HA VAL 68 HA VAL 68 3.666 6.627 0.444 159 HB VAL 68 HB VAL 68 2.782 8.169 2.869 160 1HG1 VAL 68 1HG1 VAL 68 1.555 5.982 3.479 161 2HG1 VAL 68 2HG1 VAL 68 0.763 7.096 2.339 162 3HG1 VAL 68 3HG1 VAL 68 1.586 5.639 1.732 163 1HG2 VAL 68 1HG2 VAL 68 3.894 6.405 4.090 164 2HG2 VAL 68 2HG2 VAL 68 4.157 5.477 2.596 165 3HG2 VAL 68 3HG2 VAL 68 5.002 7.023 2.842 166 H ILE 69 H ILE 69 1.739 9.622 1.187 167 HA ILE 69 HA ILE 69 -0.622 8.770 0.102 168 HB ILE 69 HB ILE 69 0.638 11.468 0.459 169 1HG1 ILE 69 1HG1 ILE 69 -1.859 10.352 1.739 170 2HG1 ILE 69 2HG1 ILE 69 -0.265 9.969 2.357 171 1HG2 ILE 69 1HG2 ILE 69 -1.661 12.411 -0.065 172 2HG2 ILE 69 2HG2 ILE 69 -0.679 11.883 -1.454 173 3HG2 ILE 69 3HG2 ILE 69 -2.009 10.857 -0.862 174 1HD1 ILE 69 1HD1 ILE 69 -0.983 11.891 3.592 175 2HD1 ILE 69 2HD1 ILE 69 0.187 12.510 2.404 176 3HD1 ILE 69 3HD1 ILE 69 -1.559 12.713 2.122 177 H LYS 70 H LYS 70 2.302 10.037 -1.517 178 HA LYS 70 HA LYS 70 1.080 10.396 -4.032 179 1HB LYS 70 1HB LYS 70 3.921 10.173 -3.054 180 2HB LYS 70 2HB LYS 70 3.570 10.233 -4.769 181 1HG LYS 70 1HG LYS 70 2.254 12.357 -4.392 182 2HG LYS 70 2HG LYS 70 2.708 12.310 -2.700 183 1HD LYS 70 1HD LYS 70 5.159 12.290 -3.456 184 2HD LYS 70 2HD LYS 70 4.589 12.587 -5.086 185 1HE LYS 70 1HE LYS 70 3.473 14.684 -4.334 186 2HE LYS 70 2HE LYS 70 3.986 14.381 -2.686 187 1HZ LYS 70 1HZ LYS 70 5.913 15.292 -3.168 188 2HZ LYS 70 2HZ LYS 70 6.201 14.222 -4.366 189 3HZ LYS 70 3HZ LYS 70 5.417 15.617 -4.690 190 H ALA 71 H ALA 71 3.063 7.712 -2.608 191 HA ALA 71 HA ALA 71 3.024 6.058 -4.812 192 1HB ALA 71 1HB ALA 71 3.353 4.242 -3.075 193 2HB ALA 71 2HB ALA 71 4.461 5.627 -2.930 194 3HB ALA 71 3HB ALA 71 3.072 5.480 -1.827 195 H VAL 72 H VAL 72 0.594 6.546 -2.199 196 HA VAL 72 HA VAL 72 -1.032 4.380 -2.936 197 HB VAL 72 HB VAL 72 -1.651 6.959 -1.483 198 1HG1 VAL 72 1HG1 VAL 72 -3.741 6.064 -2.175 199 2HG1 VAL 72 2HG1 VAL 72 -3.241 4.399 -1.795 200 3HG1 VAL 72 3HG1 VAL 72 -3.528 5.564 -0.480 201 1HG2 VAL 72 1HG2 VAL 72 -0.311 4.445 -0.714 202 2HG2 VAL 72 2HG2 VAL 72 -0.237 6.062 0.026 203 3HG2 VAL 72 3HG2 VAL 72 -1.594 4.972 0.400 204 H ARG 73 H ARG 73 -1.044 7.890 -3.813 205 HA ARG 73 HA ARG 73 -3.399 7.792 -5.229 206 1HB ARG 73 1HB ARG 73 -2.047 9.851 -4.474 207 2HB ARG 73 2HB ARG 73 -1.011 9.590 -5.863 208 1HG ARG 73 1HG ARG 73 -3.924 9.593 -6.491 209 2HG ARG 73 2HG ARG 73 -3.314 11.121 -5.887 210 1HD ARG 73 1HD ARG 73 -1.448 10.981 -7.625 211 2HD ARG 73 2HD ARG 73 -2.238 9.561 -8.283 212 HE ARG 73 HE ARG 73 -3.901 10.929 -9.219 213 1HH1 ARG 73 2HH2 ARG 73 -2.097 12.763 -6.818 214 2HH1 ARG 73 1HH2 ARG 73 -2.779 14.286 -7.282 215 1HH2 ARG 73 2HH1 ARG 73 -4.823 12.935 -9.813 216 2HH2 ARG 73 1HH1 ARG 73 -4.359 14.381 -8.979 217 H GLY 74 H GLY 74 -0.001 7.088 -6.147 218 1HA GLY 74 1HA GLY 74 -0.471 6.939 -8.955 219 2HA GLY 74 2HA GLY 74 0.933 6.370 -8.075 220 H ALA 75 H ALA 75 -0.743 4.689 -6.191 221 HA ALA 75 HA ALA 75 -0.675 2.362 -7.863 222 1HB ALA 75 1HB ALA 75 -1.310 2.848 -4.927 223 2HB ALA 75 2HB ALA 75 -1.262 1.235 -5.679 224 3HB ALA 75 3HB ALA 75 0.211 2.233 -5.619 225 H THR 76 H THR 76 -3.087 4.606 -6.547 226 HA THR 76 HA THR 76 -5.184 2.910 -7.740 227 HB THR 76 HB THR 76 -6.661 3.766 -5.939 228 HG1 THR 76 1HG THR 76 -4.271 4.927 -4.778 229 1HG2 THR 76 1HG2 THR 76 -3.952 2.857 -4.827 230 2HG2 THR 76 2HG2 THR 76 -5.477 2.894 -3.908 231 3HG2 THR 76 3HG2 THR 76 -5.295 1.782 -5.286 232 H GLY 77 H GLY 77 -4.996 6.324 -6.554 233 1HA GLY 77 1HA GLY 77 -4.831 8.104 -8.201 234 2HA GLY 77 2HA GLY 77 -5.842 7.150 -9.267 235 H LEU 78 H LEU 78 -6.562 7.047 -5.818 236 HA LEU 78 HA LEU 78 -9.149 8.108 -6.268 237 1HB LEU 78 1HB LEU 78 -7.630 7.330 -3.782 238 2HB LEU 78 2HB LEU 78 -9.279 7.921 -3.752 239 HG LEU 78 HG LEU 78 -8.497 5.522 -5.410 240 1HD1 LEU 78 1HD1 LEU 78 -7.779 5.148 -3.066 241 2HD1 LEU 78 2HD1 LEU 78 -9.452 5.446 -2.534 242 3HD1 LEU 78 3HD1 LEU 78 -9.087 4.057 -3.587 243 1HD2 LEU 78 1HD2 LEU 78 -10.629 6.443 -5.990 244 2HD2 LEU 78 2HD2 LEU 78 -10.905 4.947 -5.067 245 3HD2 LEU 78 3HD2 LEU 78 -11.120 6.531 -4.283 246 H GLY 79 H GLY 79 -10.079 10.032 -5.226 247 1HA GLY 79 1HA GLY 79 -8.718 12.366 -5.773 248 2HA GLY 79 2HA GLY 79 -10.093 12.215 -4.696 249 H LEU 80 H LEU 80 -7.518 13.867 -4.557 250 HA LEU 80 HA LEU 80 -5.663 13.018 -2.823 251 1HB LEU 80 1HB LEU 80 -6.134 15.324 -3.951 252 2HB LEU 80 2HB LEU 80 -6.901 15.718 -2.426 253 HG LEU 80 HG LEU 80 -4.128 14.591 -2.362 254 1HD1 LEU 80 1HD1 LEU 80 -3.869 16.203 -4.109 255 2HD1 LEU 80 2HD1 LEU 80 -4.810 17.416 -3.208 256 3HD1 LEU 80 3HD1 LEU 80 -3.212 16.908 -2.613 257 1HD2 LEU 80 1HD2 LEU 80 -5.651 15.196 -0.350 258 2HD2 LEU 80 2HD2 LEU 80 -3.941 15.687 -0.330 259 3HD2 LEU 80 3HD2 LEU 80 -5.203 16.877 -0.732 260 H LYS 81 H LYS 81 -8.972 14.190 -1.955 261 HA LYS 81 HA LYS 81 -8.622 14.011 0.800 262 1HB LYS 81 1HB LYS 81 -10.432 15.266 -0.226 263 2HB LYS 81 2HB LYS 81 -11.119 13.805 -0.908 264 1HG LYS 81 1HG LYS 81 -12.408 14.091 1.040 265 2HG LYS 81 2HG LYS 81 -11.200 12.937 1.570 266 1HD LYS 81 1HD LYS 81 -9.853 14.753 2.576 267 2HD LYS 81 2HD LYS 81 -10.966 15.958 1.961 268 1HE LYS 81 1HE LYS 81 -12.691 14.269 3.330 269 2HE LYS 81 2HE LYS 81 -11.244 14.153 4.311 270 1HZ LYS 81 1HZ LYS 81 -12.461 15.977 5.081 271 2HZ LYS 81 2HZ LYS 81 -11.210 16.626 4.258 272 3HZ LYS 81 3HZ LYS 81 -12.697 16.594 3.588 273 H GLU 82 H GLU 82 -10.456 11.697 -1.326 274 HA GLU 82 HA GLU 82 -10.909 9.784 0.446 275 1HB GLU 82 1HB GLU 82 -10.141 9.591 -2.483 276 2HB GLU 82 2HB GLU 82 -10.544 8.149 -1.573 277 1HG GLU 82 1HG GLU 82 -12.441 10.463 -1.313 278 2HG GLU 82 2HG GLU 82 -12.406 9.656 -2.868 279 H ALA 83 H ALA 83 -7.816 10.227 -1.386 280 HA ALA 83 HA ALA 83 -6.580 7.913 -0.430 281 1HB ALA 83 1HB ALA 83 -5.638 10.540 -1.598 282 2HB ALA 83 2HB ALA 83 -4.472 9.311 -1.051 283 3HB ALA 83 3HB ALA 83 -5.640 8.921 -2.336 284 H LYS 84 H LYS 84 -6.580 11.332 0.761 285 HA LYS 84 HA LYS 84 -4.758 10.979 2.806 286 1HB LYS 84 1HB LYS 84 -5.606 13.149 1.948 287 2HB LYS 84 2HB LYS 84 -7.148 12.845 2.724 288 1HG LYS 84 1HG LYS 84 -5.952 14.196 4.284 289 2HG LYS 84 2HG LYS 84 -5.838 12.572 4.933 290 1HD LYS 84 1HD LYS 84 -3.570 12.455 4.601 291 2HD LYS 84 2HD LYS 84 -3.656 13.231 3.033 292 1HE LYS 84 1HE LYS 84 -4.084 14.822 5.592 293 2HE LYS 84 2HE LYS 84 -2.470 14.513 4.982 294 1HZ LYS 84 1HZ LYS 84 -4.555 15.662 3.276 295 2HZ LYS 84 2HZ LYS 84 -3.597 16.595 4.213 296 3HZ LYS 84 3HZ LYS 84 -2.939 15.672 3.038 297 H ASP 85 H ASP 85 -8.377 10.705 2.892 298 HA ASP 85 HA ASP 85 -8.602 10.122 5.529 299 1HB ASP 85 1HB ASP 85 -10.186 9.035 3.154 300 2HB ASP 85 2HB ASP 85 -10.700 8.836 4.818 301 H LEU 86 H LEU 86 -8.092 7.910 2.692 302 HA LEU 86 HA LEU 86 -8.291 5.489 3.911 303 1HB LEU 86 1HB LEU 86 -7.527 6.452 1.454 304 2HB LEU 86 2HB LEU 86 -6.055 5.692 2.026 305 HG LEU 86 HG LEU 86 -8.764 4.358 1.762 306 1HD1 LEU 86 1HD1 LEU 86 -7.528 2.994 0.021 307 2HD1 LEU 86 2HD1 LEU 86 -7.891 4.682 -0.412 308 3HD1 LEU 86 3HD1 LEU 86 -6.246 4.227 0.094 309 1HD2 LEU 86 1HD2 LEU 86 -7.062 2.303 2.087 310 2HD2 LEU 86 2HD2 LEU 86 -6.250 3.521 3.100 311 3HD2 LEU 86 3HD2 LEU 86 -7.940 3.072 3.431 312 H VAL 87 H VAL 87 -5.222 7.407 3.530 313 HA VAL 87 HA VAL 87 -3.685 5.633 5.022 314 HB VAL 87 HB VAL 87 -3.355 8.593 4.494 315 1HG1 VAL 87 1HG1 VAL 87 -1.980 7.660 6.407 316 2HG1 VAL 87 2HG1 VAL 87 -1.183 6.606 5.213 317 3HG1 VAL 87 3HG1 VAL 87 -1.052 8.375 5.066 318 1HG2 VAL 87 1HG2 VAL 87 -1.664 7.571 2.780 319 2HG2 VAL 87 2HG2 VAL 87 -2.662 6.107 2.946 320 3HG2 VAL 87 3HG2 VAL 87 -3.399 7.627 2.384 321 H GLU 88 H GLU 88 -5.710 8.446 5.951 322 HA GLU 88 HA GLU 88 -4.653 8.581 8.550 323 1HB GLU 88 1HB GLU 88 -7.140 9.726 7.231 324 2HB GLU 88 2HB GLU 88 -6.793 10.003 8.926 325 1HG GLU 88 1HG GLU 88 -4.787 10.619 6.711 326 2HG GLU 88 2HG GLU 88 -5.945 11.799 7.294 327 H SER 89 H SER 89 -6.779 6.376 7.004 328 HA SER 89 HA SER 89 -8.093 5.767 9.526 329 1HB SER 89 1HB SER 89 -9.791 4.626 8.230 330 2HB SER 89 2HB SER 89 -9.527 6.199 7.503 331 HG SER 89 HG SER 89 -9.150 3.676 6.422 332 H ALA 90 H ALA 90 -5.238 5.088 8.619 333 HA ALA 90 HA ALA 90 -5.122 2.355 8.003 334 1HB ALA 90 1HB ALA 90 -2.754 2.621 8.876 335 2HB ALA 90 2HB ALA 90 -3.228 3.787 7.617 336 3HB ALA 90 3HB ALA 90 -3.183 4.289 9.325 337 HA PRO 91 HA PRO 91 -3.810 0.839 8.487 338 1HB PRO 91 1HB PRO 91 -4.288 -1.831 8.819 339 2HB PRO 91 2HB PRO 91 -2.886 -1.018 9.486 340 1HG PRO 91 1HG PRO 91 -5.322 -1.952 10.876 341 2HG PRO 91 2HG PRO 91 -3.762 -1.534 11.556 342 1HD PRO 91 1HD PRO 91 -6.141 0.067 11.613 343 2HD PRO 91 2HD PRO 91 -4.554 0.529 12.191 344 H ALA 92 H ALA 92 -4.371 -0.051 6.410 345 HA ALA 92 HA ALA 92 -7.115 -0.804 6.082 346 1HB ALA 92 1HB ALA 92 -7.304 1.664 6.217 347 2HB ALA 92 2HB ALA 92 -6.120 1.820 4.898 348 3HB ALA 92 3HB ALA 92 -7.701 1.062 4.590 349 H ALA 93 H ALA 93 -7.483 -1.757 3.990 350 HA ALA 93 HA ALA 93 -5.069 -2.696 2.762 351 1HB ALA 93 1HB ALA 93 -6.591 -4.067 1.443 352 2HB ALA 93 2HB ALA 93 -7.108 -4.098 3.147 353 3HB ALA 93 3HB ALA 93 -7.983 -3.088 1.970 354 H LEU 94 H LEU 94 -4.240 -2.152 0.731 355 HA LEU 94 HA LEU 94 -5.468 0.235 -0.453 356 1HB LEU 94 1HB LEU 94 -2.688 -0.612 0.059 357 2HB LEU 94 2HB LEU 94 -2.970 0.125 -1.506 358 HG LEU 94 HG LEU 94 -3.972 2.101 -0.359 359 1HD1 LEU 94 1HD1 LEU 94 -3.128 0.607 2.131 360 2HD1 LEU 94 2HD1 LEU 94 -3.457 2.356 2.095 361 3HD1 LEU 94 3HD1 LEU 94 -4.748 1.200 1.695 362 1HD2 LEU 94 1HD2 LEU 94 -1.702 2.810 0.731 363 2HD2 LEU 94 2HD2 LEU 94 -1.121 1.267 0.058 364 3HD2 LEU 94 3HD2 LEU 94 -1.804 2.507 -1.021 365 H LYS 95 H LYS 95 -4.197 -3.059 -1.024 366 HA LYS 95 HA LYS 95 -5.733 -3.107 -3.484 367 1HB LYS 95 1HB LYS 95 -2.984 -4.218 -3.730 368 2HB LYS 95 2HB LYS 95 -4.026 -3.500 -4.943 369 1HG LYS 95 1HG LYS 95 -3.642 -1.236 -3.866 370 2HG LYS 95 2HG LYS 95 -2.512 -1.992 -2.758 371 1HD LYS 95 1HD LYS 95 -2.171 -2.305 -5.762 372 2HD LYS 95 2HD LYS 95 -1.584 -0.870 -4.946 373 1HE LYS 95 1HE LYS 95 -0.150 -2.224 -3.474 374 2HE LYS 95 2HE LYS 95 -0.831 -3.708 -4.108 375 1HZ LYS 95 1HZ LYS 95 0.892 -3.574 -5.487 376 2HZ LYS 95 2HZ LYS 95 -0.013 -2.504 -6.327 377 3HZ LYS 95 3HZ LYS 95 1.117 -1.970 -5.276 378 H GLU 96 H GLU 96 -6.346 -5.259 -4.114 379 HA GLU 96 HA GLU 96 -5.743 -7.223 -2.044 380 1HB GLU 96 1HB GLU 96 -8.440 -6.699 -3.370 381 2HB GLU 96 2HB GLU 96 -8.106 -8.060 -2.316 382 1HG GLU 96 1HG GLU 96 -7.447 -6.424 -0.494 383 2HG GLU 96 2HG GLU 96 -7.922 -5.108 -1.549 384 H GLY 97 H GLY 97 -4.972 -9.155 -2.821 385 1HA GLY 97 1HA GLY 97 -4.304 -10.717 -4.294 386 2HA GLY 97 2HA GLY 97 -5.891 -10.534 -5.014 387 H VAL 98 H VAL 98 -2.710 -8.767 -4.880 388 HA VAL 98 HA VAL 98 -3.067 -8.232 -7.748 389 HB VAL 98 HB VAL 98 -1.512 -6.338 -7.355 390 1HG1 VAL 98 1HG1 VAL 98 -3.954 -6.153 -5.570 391 2HG1 VAL 98 2HG1 VAL 98 -3.166 -4.851 -6.494 392 3HG1 VAL 98 3HG1 VAL 98 -4.036 -6.147 -7.348 393 1HG2 VAL 98 1HG2 VAL 98 -0.779 -5.669 -5.247 394 2HG2 VAL 98 2HG2 VAL 98 -2.014 -6.630 -4.399 395 3HG2 VAL 98 3HG2 VAL 98 -0.628 -7.441 -5.167 396 H SER 99 H SER 99 -0.985 -8.203 -9.017 397 HA SER 99 HA SER 99 0.301 -10.606 -8.716 398 1HB SER 99 1HB SER 99 1.856 -9.774 -10.449 399 2HB SER 99 2HB SER 99 0.198 -9.368 -10.842 400 HG SER 99 HG SER 99 0.568 -7.238 -10.496 401 H LYS 100 H LYS 100 2.343 -11.231 -7.851 402 HA LYS 100 HA LYS 100 3.120 -9.961 -5.527 403 1HB LYS 100 1HB LYS 100 3.519 -12.348 -6.155 404 2HB LYS 100 2HB LYS 100 4.778 -11.823 -7.255 405 1HG LYS 100 1HG LYS 100 4.967 -10.751 -4.464 406 2HG LYS 100 2HG LYS 100 5.227 -12.476 -4.632 407 1HD LYS 100 1HD LYS 100 6.965 -12.047 -6.382 408 2HD LYS 100 2HD LYS 100 6.703 -10.321 -6.220 409 1HE LYS 100 1HE LYS 100 7.427 -10.398 -3.849 410 2HE LYS 100 2HE LYS 100 7.596 -12.141 -3.931 411 1HZ LYS 100 1HZ LYS 100 9.680 -10.949 -4.255 412 2HZ LYS 100 2HZ LYS 100 9.312 -11.881 -5.544 413 3HZ LYS 100 3HZ LYS 100 9.100 -10.263 -5.619 414 H ASP 101 H ASP 101 4.431 -9.711 -8.881 415 HA ASP 101 HA ASP 101 6.701 -8.344 -8.279 416 1HB ASP 101 1HB ASP 101 4.829 -8.145 -10.676 417 2HB ASP 101 2HB ASP 101 6.380 -7.331 -10.637 418 H ASP 102 H ASP 102 3.309 -7.213 -8.745 419 HA ASP 102 HA ASP 102 3.977 -4.491 -8.825 420 1HB ASP 102 1HB ASP 102 1.434 -6.087 -8.419 421 2HB ASP 102 2HB ASP 102 1.402 -4.356 -8.152 422 H ALA 103 H ALA 103 3.114 -6.883 -6.300 423 HA ALA 103 HA ALA 103 2.523 -5.041 -4.254 424 1HB ALA 103 1HB ALA 103 2.022 -7.591 -4.495 425 2HB ALA 103 2HB ALA 103 3.651 -7.811 -3.811 426 3HB ALA 103 3HB ALA 103 2.406 -6.943 -2.881 427 H GLU 104 H GLU 104 5.527 -6.844 -5.189 428 HA GLU 104 HA GLU 104 6.956 -5.804 -3.002 429 1HB GLU 104 1HB GLU 104 7.319 -7.944 -4.593 430 2HB GLU 104 2HB GLU 104 8.371 -6.834 -5.450 431 1HG GLU 104 1HG GLU 104 9.532 -6.321 -3.247 432 2HG GLU 104 2HG GLU 104 8.550 -7.559 -2.488 433 H ALA 105 H ALA 105 6.264 -4.714 -6.288 434 HA ALA 105 HA ALA 105 8.513 -3.068 -6.633 435 1HB ALA 105 1HB ALA 105 7.215 -3.760 -8.531 436 2HB ALA 105 2HB ALA 105 5.719 -3.096 -7.830 437 3HB ALA 105 3HB ALA 105 7.008 -1.998 -8.381 438 H LEU 106 H LEU 106 5.130 -2.390 -5.504 439 HA LEU 106 HA LEU 106 5.697 0.341 -5.015 440 1HB LEU 106 1HB LEU 106 3.468 -0.751 -5.538 441 2HB LEU 106 2HB LEU 106 3.441 -1.304 -3.875 442 HG LEU 106 HG LEU 106 3.787 1.230 -3.297 443 1HD1 LEU 106 1HD1 LEU 106 2.975 2.813 -4.859 444 2HD1 LEU 106 2HD1 LEU 106 4.168 1.819 -5.727 445 3HD1 LEU 106 3HD1 LEU 106 2.429 1.544 -5.980 446 1HD2 LEU 106 1HD2 LEU 106 1.115 0.248 -4.335 447 2HD2 LEU 106 2HD2 LEU 106 1.813 -0.164 -2.750 448 3HD2 LEU 106 3HD2 LEU 106 1.397 1.526 -3.129 449 H LYS 107 H LYS 107 5.755 -2.671 -3.070 450 HA LYS 107 HA LYS 107 5.952 -1.513 -0.567 451 1HB LYS 107 1HB LYS 107 5.517 -3.873 -0.889 452 2HB LYS 107 2HB LYS 107 7.078 -4.110 -1.646 453 1HG LYS 107 1HG LYS 107 8.263 -3.825 0.380 454 2HG LYS 107 2HG LYS 107 6.969 -2.914 1.131 455 1HD LYS 107 1HD LYS 107 5.583 -4.932 1.337 456 2HD LYS 107 2HD LYS 107 6.733 -5.871 0.406 457 1HE LYS 107 1HE LYS 107 7.302 -6.446 2.621 458 2HE LYS 107 2HE LYS 107 8.470 -5.192 2.256 459 1HZ LYS 107 1HZ LYS 107 6.147 -5.066 3.973 460 2HZ LYS 107 2HZ LYS 107 7.635 -4.429 4.189 461 3HZ LYS 107 3HZ LYS 107 6.571 -3.698 3.191 462 H LYS 108 H LYS 108 8.545 -2.394 -2.938 463 HA LYS 108 HA LYS 108 10.694 -1.680 -1.364 464 1HB LYS 108 1HB LYS 108 10.224 -1.837 -4.331 465 2HB LYS 108 2HB LYS 108 11.744 -1.217 -3.720 466 1HG LYS 108 1HG LYS 108 11.954 -3.321 -2.299 467 2HG LYS 108 2HG LYS 108 10.520 -3.944 -3.091 468 1HD LYS 108 1HD LYS 108 11.899 -3.322 -5.316 469 2HD LYS 108 2HD LYS 108 13.271 -3.479 -4.238 470 1HE LYS 108 1HE LYS 108 11.131 -5.609 -4.715 471 2HE LYS 108 2HE LYS 108 12.762 -5.640 -5.357 472 1HZ LYS 108 1HZ LYS 108 12.015 -5.730 -2.518 473 2HZ LYS 108 2HZ LYS 108 12.662 -6.943 -3.399 474 3HZ LYS 108 3HZ LYS 108 13.555 -5.621 -3.053 475 H ALA 109 H ALA 109 8.592 0.330 -3.494 476 HA ALA 109 HA ALA 109 10.134 2.669 -3.202 477 1HB ALA 109 1HB ALA 109 8.441 2.135 -5.007 478 2HB ALA 109 2HB ALA 109 7.161 2.425 -3.802 479 3HB ALA 109 3HB ALA 109 8.259 3.745 -4.272 480 H LEU 110 H LEU 110 7.394 1.215 -1.381 481 HA LEU 110 HA LEU 110 6.862 3.489 0.173 482 1HB LEU 110 1HB LEU 110 6.314 0.553 0.619 483 2HB LEU 110 2HB LEU 110 5.707 1.830 1.654 484 HG LEU 110 HG LEU 110 5.130 2.003 -1.278 485 1HD1 LEU 110 1HD1 LEU 110 4.158 0.007 -1.372 486 2HD1 LEU 110 2HD1 LEU 110 4.374 -0.261 0.374 487 3HD1 LEU 110 3HD1 LEU 110 2.948 0.623 -0.221 488 1HD2 LEU 110 1HD2 LEU 110 3.226 3.203 -0.615 489 2HD2 LEU 110 2HD2 LEU 110 3.300 2.579 1.051 490 3HD2 LEU 110 3HD2 LEU 110 4.515 3.750 0.484 491 H GLU 111 H GLU 111 9.062 0.669 0.579 492 HA GLU 111 HA GLU 111 9.763 1.355 3.202 493 1HB GLU 111 1HB GLU 111 11.194 -0.356 1.122 494 2HB GLU 111 2HB GLU 111 11.667 -0.264 2.806 495 1HG GLU 111 1HG GLU 111 8.790 -0.783 2.563 496 2HG GLU 111 2HG GLU 111 9.713 -1.981 1.678 497 H GLU 112 H GLU 112 11.101 2.121 -0.045 498 HA GLU 112 HA GLU 112 13.468 3.238 0.754 499 1HB GLU 112 1HB GLU 112 11.610 3.764 -1.581 500 2HB GLU 112 2HB GLU 112 13.076 4.706 -1.392 501 1HG GLU 112 1HG GLU 112 13.356 1.727 -1.128 502 2HG GLU 112 2HG GLU 112 12.998 2.338 -2.732 503 H ALA 113 H ALA 113 10.141 4.532 0.836 504 HA ALA 113 HA ALA 113 11.030 7.205 1.416 505 1HB ALA 113 1HB ALA 113 9.018 7.375 0.360 506 2HB ALA 113 2HB ALA 113 8.485 5.762 0.893 507 3HB ALA 113 3HB ALA 113 8.363 7.150 2.000 508 H GLY 114 H GLY 114 9.965 4.278 3.163 509 1HA GLY 114 1HA GLY 114 10.798 3.908 5.354 510 2HA GLY 114 2HA GLY 114 10.720 5.630 5.673 511 H ALA 115 H ALA 115 8.420 3.090 4.427 512 HA ALA 115 HA ALA 115 6.585 3.918 6.564 513 1HB ALA 115 1HB ALA 115 5.830 3.280 3.684 514 2HB ALA 115 2HB ALA 115 4.724 3.764 4.992 515 3HB ALA 115 3HB ALA 115 5.928 4.918 4.370 516 H GLU 116 H GLU 116 5.100 2.200 7.252 517 HA GLU 116 HA GLU 116 6.366 -0.377 6.845 518 1HB GLU 116 1HB GLU 116 6.062 0.493 9.180 519 2HB GLU 116 2HB GLU 116 4.326 0.489 8.942 520 1HG GLU 116 1HG GLU 116 4.730 -1.581 10.021 521 2HG GLU 116 2HG GLU 116 4.586 -2.032 8.334 522 H VAL 117 H VAL 117 5.440 -1.845 5.485 523 HA VAL 117 HA VAL 117 2.557 -1.547 4.992 524 HB VAL 117 HB VAL 117 4.797 -2.218 3.078 525 1HG1 VAL 117 1HG1 VAL 117 2.765 -3.641 2.730 526 2HG1 VAL 117 2HG1 VAL 117 1.822 -2.151 2.481 527 3HG1 VAL 117 3HG1 VAL 117 3.142 -2.566 1.361 528 1HG2 VAL 117 1HG2 VAL 117 4.793 -0.038 2.615 529 2HG2 VAL 117 2HG2 VAL 117 3.087 -0.160 2.120 530 3HG2 VAL 117 3HG2 VAL 117 3.499 0.237 3.806 531 H GLU 118 H GLU 118 1.328 -3.458 4.906 532 HA GLU 118 HA GLU 118 2.806 -5.782 5.859 533 1HB GLU 118 1HB GLU 118 1.154 -5.085 7.473 534 2HB GLU 118 2HB GLU 118 -0.083 -4.907 6.245 535 1HG GLU 118 1HG GLU 118 -0.146 -7.325 5.860 536 2HG GLU 118 2HG GLU 118 1.252 -7.576 6.887 537 H VAL 119 H VAL 119 2.776 -7.691 4.683 538 HA VAL 119 HA VAL 119 1.196 -7.607 2.210 539 HB VAL 119 HB VAL 119 3.728 -9.107 2.909 540 1HG1 VAL 119 1HG1 VAL 119 2.047 -9.060 0.388 541 2HG1 VAL 119 2HG1 VAL 119 3.741 -9.606 0.422 542 3HG1 VAL 119 3HG1 VAL 119 2.509 -10.466 1.377 543 1HG2 VAL 119 1HG2 VAL 119 4.142 -7.413 0.703 544 2HG2 VAL 119 2HG2 VAL 119 3.247 -6.437 1.892 545 3HG2 VAL 119 3HG2 VAL 119 4.779 -7.218 2.353 546 H LYS 120 H LYS 120 -0.493 -8.988 2.014 547 HA LYS 120 HA LYS 120 -0.515 -11.284 3.850 548 1HB LYS 120 1HB LYS 120 -2.314 -9.126 3.747 549 2HB LYS 120 2HB LYS 120 -3.151 -10.452 2.967 550 1HG LYS 120 1HG LYS 120 -3.680 -10.826 5.224 551 2HG LYS 120 2HG LYS 120 -2.305 -11.890 5.004 552 1HD LYS 120 1HD LYS 120 -0.898 -9.753 5.745 553 2HD LYS 120 2HD LYS 120 -2.422 -9.219 6.423 554 1HE LYS 120 1HE LYS 120 -2.560 -11.530 7.583 555 2HE LYS 120 2HE LYS 120 -0.892 -11.766 7.101 556 1HZ LYS 120 1HZ LYS 120 -0.305 -9.787 8.297 557 2HZ LYS 120 2HZ LYS 120 -1.861 -9.497 8.698 558 3HZ LYS 120 3HZ LYS 120 -1.093 -10.808 9.298 Start of MODEL 18 1 1H ALA 47 H ALA 47 2.015 -26.614 3.562 2 HA ALA 47 HA ALA 47 2.902 -24.592 1.731 3 1HB ALA 47 1HB ALA 47 4.044 -27.256 2.668 4 2HB ALA 47 2HB ALA 47 4.901 -26.081 1.643 5 3HB ALA 47 3HB ALA 47 4.447 -25.646 3.309 6 H ALA 48 H ALA 48 3.964 -25.596 -0.401 7 HA ALA 48 HA ALA 48 3.671 -26.562 -2.373 8 1HB ALA 48 1HB ALA 48 2.783 -28.755 -2.509 9 2HB ALA 48 2HB ALA 48 3.439 -28.639 -0.860 10 3HB ALA 48 3HB ALA 48 1.687 -28.488 -1.132 11 H GLU 49 H GLU 49 2.477 -24.251 -2.272 12 HA GLU 49 HA GLU 49 -0.005 -24.742 -3.645 13 1HB GLU 49 1HB GLU 49 0.164 -23.551 -0.950 14 2HB GLU 49 2HB GLU 49 -0.663 -22.508 -2.090 15 1HG GLU 49 1HG GLU 49 -2.283 -24.224 -2.637 16 2HG GLU 49 2HG GLU 49 -1.345 -25.468 -1.833 17 H GLU 50 H GLU 50 -0.601 -22.984 -5.090 18 HA GLU 50 HA GLU 50 1.705 -21.341 -5.685 19 1HB GLU 50 1HB GLU 50 -0.566 -22.487 -7.239 20 2HB GLU 50 2HB GLU 50 -0.066 -20.884 -7.737 21 1HG GLU 50 1HG GLU 50 1.272 -22.399 -9.027 22 2HG GLU 50 2HG GLU 50 2.344 -21.760 -7.797 23 H LYS 51 H LYS 51 1.765 -19.248 -5.001 24 HA LYS 51 HA LYS 51 -0.824 -17.965 -4.472 25 1HB LYS 51 1HB LYS 51 0.771 -18.452 -2.525 26 2HB LYS 51 2HB LYS 51 1.818 -17.222 -3.203 27 1HG LYS 51 1HG LYS 51 -0.110 -15.589 -3.130 28 2HG LYS 51 2HG LYS 51 -1.092 -16.820 -2.364 29 1HD LYS 51 1HD LYS 51 0.466 -16.930 -0.446 30 2HD LYS 51 2HD LYS 51 1.552 -15.797 -1.225 31 1HE LYS 51 1HE LYS 51 0.036 -13.971 -0.974 32 2HE LYS 51 2HE LYS 51 -1.342 -15.024 -0.721 33 1HZ LYS 51 1HZ LYS 51 -0.666 -14.152 1.348 34 2HZ LYS 51 2HZ LYS 51 -0.256 -15.732 1.357 35 3HZ LYS 51 3HZ LYS 51 0.892 -14.592 1.135 36 H THR 52 H THR 52 -1.374 -16.681 -6.154 37 HA THR 52 HA THR 52 0.779 -15.028 -7.300 38 HB THR 52 HB THR 52 -0.533 -15.277 -9.473 39 HG1 THR 52 1HG THR 52 -2.531 -15.922 -8.341 40 1HG2 THR 52 1HG2 THR 52 0.085 -18.048 -8.372 41 2HG2 THR 52 2HG2 THR 52 0.302 -17.444 -10.032 42 3HG2 THR 52 3HG2 THR 52 1.400 -16.907 -8.739 43 H GLU 53 H GLU 53 -1.462 -14.782 -5.098 44 HA GLU 53 HA GLU 53 -2.321 -12.201 -6.109 45 1HB GLU 53 1HB GLU 53 -4.081 -14.455 -5.152 46 2HB GLU 53 2HB GLU 53 -4.560 -12.812 -4.770 47 1HG GLU 53 1HG GLU 53 -4.586 -12.185 -7.128 48 2HG GLU 53 2HG GLU 53 -3.835 -13.696 -7.598 49 H PHE 54 H PHE 54 -1.095 -10.927 -4.741 50 HA PHE 54 HA PHE 54 -1.185 -11.616 -1.895 51 1HB PHE 54 1HB PHE 54 0.670 -9.937 -3.681 52 2HB PHE 54 2HB PHE 54 0.825 -9.951 -1.935 53 HD1 PHE 54 1HD PHE 54 0.945 -12.143 -4.926 54 HD2 PHE 54 2HD PHE 54 2.045 -11.643 -0.858 55 HE1 PHE 54 1HE PHE 54 2.418 -14.170 -5.076 56 HE2 PHE 54 2HE PHE 54 3.518 -13.669 -1.007 57 HZ PHE 54 HZ PHE 54 3.687 -14.909 -3.113 58 H ASP 55 H ASP 55 -1.669 -9.984 -0.330 59 HA ASP 55 HA ASP 55 -3.123 -7.763 -1.518 60 1HB ASP 55 1HB ASP 55 -3.294 -8.811 1.342 61 2HB ASP 55 2HB ASP 55 -4.387 -7.673 0.580 62 H VAL 56 H VAL 56 -2.376 -5.657 -1.082 63 HA VAL 56 HA VAL 56 -0.105 -5.467 0.761 64 HB VAL 56 HB VAL 56 -0.975 -3.804 -1.605 65 1HG1 VAL 56 1HG1 VAL 56 -0.038 -2.096 -0.445 66 2HG1 VAL 56 2HG1 VAL 56 0.865 -3.181 0.638 67 3HG1 VAL 56 3HG1 VAL 56 1.483 -2.837 -0.995 68 1HG2 VAL 56 1HG2 VAL 56 0.105 -5.860 -2.265 69 2HG2 VAL 56 2HG2 VAL 56 1.241 -4.513 -2.515 70 3HG2 VAL 56 3HG2 VAL 56 1.432 -5.586 -1.109 71 H ILE 57 H ILE 57 -0.691 -4.815 2.765 72 HA ILE 57 HA ILE 57 -2.877 -2.864 2.925 73 HB ILE 57 HB ILE 57 -1.897 -4.907 4.920 74 1HG1 ILE 57 1HG1 ILE 57 -4.647 -5.192 4.406 75 2HG1 ILE 57 2HG1 ILE 57 -3.913 -4.949 2.834 76 1HG2 ILE 57 1HG2 ILE 57 -3.990 -2.737 5.203 77 2HG2 ILE 57 2HG2 ILE 57 -3.830 -4.127 6.302 78 3HG2 ILE 57 3HG2 ILE 57 -2.503 -2.951 6.157 79 1HD1 ILE 57 1HD1 ILE 57 -3.902 -7.339 3.370 80 2HD1 ILE 57 2HD1 ILE 57 -2.227 -6.739 3.370 81 3HD1 ILE 57 3HD1 ILE 57 -3.071 -7.021 4.911 82 H LEU 58 H LEU 58 -2.623 -1.018 4.298 83 HA LEU 58 HA LEU 58 0.202 -0.413 4.809 84 1HB LEU 58 1HB LEU 58 -0.796 1.037 3.178 85 2HB LEU 58 2HB LEU 58 -2.164 1.367 4.223 86 HG LEU 58 HG LEU 58 -0.467 2.381 5.864 87 1HD1 LEU 58 1HD1 LEU 58 1.578 1.491 4.973 88 2HD1 LEU 58 2HD1 LEU 58 1.264 2.228 3.383 89 3HD1 LEU 58 3HD1 LEU 58 1.602 3.262 4.793 90 1HD2 LEU 58 1HD2 LEU 58 -0.897 3.759 3.197 91 2HD2 LEU 58 2HD2 LEU 58 -2.078 3.681 4.527 92 3HD2 LEU 58 3HD2 LEU 58 -0.537 4.540 4.756 93 H LYS 59 H LYS 59 0.870 -0.381 6.885 94 HA LYS 59 HA LYS 59 -1.238 -0.363 8.919 95 1HB LYS 59 1HB LYS 59 1.456 -1.668 8.715 96 2HB LYS 59 2HB LYS 59 0.823 -1.273 10.300 97 1HG LYS 59 1HG LYS 59 -1.328 -2.490 9.663 98 2HG LYS 59 2HG LYS 59 -0.544 -2.997 8.181 99 1HD LYS 59 1HD LYS 59 1.280 -4.079 9.558 100 2HD LYS 59 2HD LYS 59 0.411 -3.633 11.014 101 1HE LYS 59 1HE LYS 59 -1.074 -5.165 8.874 102 2HE LYS 59 2HE LYS 59 0.068 -6.036 9.876 103 1HZ LYS 59 1HZ LYS 59 -1.933 -4.294 11.096 104 2HZ LYS 59 2HZ LYS 59 -2.316 -5.823 10.666 105 3HZ LYS 59 3HZ LYS 59 -1.134 -5.553 11.762 106 H ALA 60 H ALA 60 1.996 0.999 8.052 107 HA ALA 60 HA ALA 60 1.290 3.313 9.706 108 1HB ALA 60 1HB ALA 60 3.015 1.517 10.670 109 2HB ALA 60 2HB ALA 60 4.143 2.384 9.601 110 3HB ALA 60 3HB ALA 60 3.278 3.264 10.883 111 H ALA 61 H ALA 61 1.727 5.278 8.738 112 HA ALA 61 HA ALA 61 2.571 5.153 5.980 113 1HB ALA 61 1HB ALA 61 0.662 6.526 6.520 114 2HB ALA 61 2HB ALA 61 1.565 7.374 7.799 115 3HB ALA 61 3HB ALA 61 2.003 7.615 6.091 116 H GLY 62 H GLY 62 3.826 6.080 9.176 117 1HA GLY 62 1HA GLY 62 5.999 6.396 9.775 118 2HA GLY 62 2HA GLY 62 6.492 6.286 8.097 119 H ALA 63 H ALA 63 7.919 8.168 8.836 120 HA ALA 63 HA ALA 63 6.488 10.653 9.254 121 1HB ALA 63 1HB ALA 63 8.631 11.533 9.856 122 2HB ALA 63 2HB ALA 63 8.553 9.897 10.553 123 3HB ALA 63 3HB ALA 63 9.484 10.187 9.063 124 H ASN 64 H ASN 64 5.983 9.404 6.723 125 HA ASN 64 HA ASN 64 6.965 11.524 5.060 126 1HB ASN 64 1HB ASN 64 8.543 9.402 4.928 127 2HB ASN 64 2HB ASN 64 7.229 8.670 4.030 128 1HD2 ASN 64 1HD2 ASN 64 9.831 9.223 3.062 129 2HD2 ASN 64 2HD2 ASN 64 9.725 10.362 1.763 130 H LYS 65 H LYS 65 4.423 11.486 5.858 131 HA LYS 65 HA LYS 65 2.698 9.672 4.601 132 1HB LYS 65 1HB LYS 65 2.459 11.536 6.561 133 2HB LYS 65 2HB LYS 65 1.688 12.386 5.239 134 1HG LYS 65 1HG LYS 65 0.147 10.506 4.851 135 2HG LYS 65 2HG LYS 65 0.987 9.523 6.035 136 1HD LYS 65 1HD LYS 65 -0.811 10.329 7.307 137 2HD LYS 65 2HD LYS 65 0.437 11.491 7.708 138 1HE LYS 65 1HE LYS 65 -0.446 13.003 5.873 139 2HE LYS 65 2HE LYS 65 -1.745 11.860 5.601 140 1HZ LYS 65 1HZ LYS 65 -2.466 12.191 7.846 141 2HZ LYS 65 2HZ LYS 65 -1.213 13.187 8.169 142 3HZ LYS 65 3HZ LYS 65 -2.364 13.642 7.103 143 H VAL 66 H VAL 66 4.426 12.522 3.480 144 HA VAL 66 HA VAL 66 2.710 13.235 1.386 145 HB VAL 66 HB VAL 66 5.680 13.573 1.827 146 1HG1 VAL 66 1HG1 VAL 66 3.908 14.842 -0.289 147 2HG1 VAL 66 2HG1 VAL 66 5.576 15.336 0.086 148 3HG1 VAL 66 3HG1 VAL 66 5.253 13.710 -0.564 149 1HG2 VAL 66 1HG2 VAL 66 3.608 14.693 3.204 150 2HG2 VAL 66 2HG2 VAL 66 5.203 15.452 2.985 151 3HG2 VAL 66 3HG2 VAL 66 3.853 15.897 1.916 152 H ALA 67 H ALA 67 5.623 11.074 1.510 153 HA ALA 67 HA ALA 67 5.494 10.408 -1.219 154 1HB ALA 67 1HB ALA 67 7.069 8.601 -0.534 155 2HB ALA 67 2HB ALA 67 7.531 10.190 0.119 156 3HB ALA 67 3HB ALA 67 6.742 8.992 1.171 157 H VAL 68 H VAL 68 4.103 8.976 1.776 158 HA VAL 68 HA VAL 68 3.244 6.584 0.680 159 HB VAL 68 HB VAL 68 2.135 8.306 2.902 160 1HG1 VAL 68 1HG1 VAL 68 0.386 6.790 2.091 161 2HG1 VAL 68 2HG1 VAL 68 1.497 5.408 2.250 162 3HG1 VAL 68 3HG1 VAL 68 0.966 6.294 3.698 163 1HG2 VAL 68 1HG2 VAL 68 3.724 7.440 4.224 164 2HG2 VAL 68 2HG2 VAL 68 3.459 5.792 3.604 165 3HG2 VAL 68 3HG2 VAL 68 4.530 6.912 2.727 166 H ILE 69 H ILE 69 1.344 9.652 1.161 167 HA ILE 69 HA ILE 69 -0.972 8.803 -0.003 168 HB ILE 69 HB ILE 69 0.351 11.484 0.244 169 1HG1 ILE 69 1HG1 ILE 69 -2.247 10.552 1.460 170 2HG1 ILE 69 2HG1 ILE 69 -0.707 10.118 2.176 171 1HG2 ILE 69 1HG2 ILE 69 -1.821 12.496 -0.490 172 2HG2 ILE 69 2HG2 ILE 69 -0.880 11.726 -1.790 173 3HG2 ILE 69 3HG2 ILE 69 -2.296 10.894 -1.104 174 1HD1 ILE 69 1HD1 ILE 69 -1.707 12.951 1.634 175 2HD1 ILE 69 2HD1 ILE 69 -1.529 12.173 3.225 176 3HD1 ILE 69 3HD1 ILE 69 -0.086 12.557 2.258 177 H LYS 70 H LYS 70 2.061 9.909 -1.549 178 HA LYS 70 HA LYS 70 0.968 10.156 -4.133 179 1HB LYS 70 1HB LYS 70 3.651 10.183 -2.875 180 2HB LYS 70 2HB LYS 70 3.619 9.687 -4.555 181 1HG LYS 70 1HG LYS 70 2.259 11.750 -5.099 182 2HG LYS 70 2HG LYS 70 2.414 12.258 -3.428 183 1HD LYS 70 1HD LYS 70 4.933 11.566 -4.943 184 2HD LYS 70 2HD LYS 70 4.141 13.086 -5.310 185 1HE LYS 70 1HE LYS 70 4.210 13.705 -2.881 186 2HE LYS 70 2HE LYS 70 5.009 12.188 -2.518 187 1HZ LYS 70 1HZ LYS 70 6.513 13.215 -4.490 188 2HZ LYS 70 2HZ LYS 70 6.091 14.555 -3.658 189 3HZ LYS 70 3HZ LYS 70 6.852 13.326 -2.896 190 H ALA 71 H ALA 71 2.845 7.510 -2.501 191 HA ALA 71 HA ALA 71 2.865 5.767 -4.637 192 1HB ALA 71 1HB ALA 71 4.180 5.570 -2.525 193 2HB ALA 71 2HB ALA 71 2.688 5.113 -1.667 194 3HB ALA 71 3HB ALA 71 3.336 4.062 -2.949 195 H VAL 72 H VAL 72 0.398 6.264 -2.042 196 HA VAL 72 HA VAL 72 -1.239 4.131 -2.772 197 HB VAL 72 HB VAL 72 -1.749 6.761 -1.384 198 1HG1 VAL 72 1HG1 VAL 72 -3.866 5.598 -0.553 199 2HG1 VAL 72 2HG1 VAL 72 -3.884 6.188 -2.232 200 3HG1 VAL 72 3HG1 VAL 72 -3.644 4.456 -1.902 201 1HG2 VAL 72 1HG2 VAL 72 -0.338 5.420 -0.054 202 2HG2 VAL 72 2HG2 VAL 72 -1.971 5.144 0.599 203 3HG2 VAL 72 3HG2 VAL 72 -1.220 3.929 -0.464 204 H ARG 73 H ARG 73 -1.901 7.654 -3.380 205 HA ARG 73 HA ARG 73 -3.929 7.301 -5.089 206 1HB ARG 73 1HB ARG 73 -3.012 9.501 -4.193 207 2HB ARG 73 2HB ARG 73 -1.745 9.424 -5.401 208 1HG ARG 73 1HG ARG 73 -3.348 9.566 -7.223 209 2HG ARG 73 2HG ARG 73 -4.702 9.316 -6.138 210 1HD ARG 73 1HD ARG 73 -3.856 11.499 -4.932 211 2HD ARG 73 2HD ARG 73 -2.931 11.773 -6.395 212 HE ARG 73 HE ARG 73 -5.810 12.053 -6.092 213 1HH1 ARG 73 2HH2 ARG 73 -3.226 11.439 -8.398 214 2HH1 ARG 73 1HH2 ARG 73 -4.196 11.815 -9.783 215 1HH2 ARG 73 2HH1 ARG 73 -7.096 12.542 -7.919 216 2HH2 ARG 73 1HH1 ARG 73 -6.402 12.486 -9.504 217 H GLY 74 H GLY 74 -0.447 6.877 -5.694 218 1HA GLY 74 1HA GLY 74 -0.555 7.013 -8.534 219 2HA GLY 74 2HA GLY 74 0.745 6.380 -7.544 220 H ALA 75 H ALA 75 -0.973 4.426 -6.081 221 HA ALA 75 HA ALA 75 -0.831 2.377 -8.117 222 1HB ALA 75 1HB ALA 75 -1.696 1.834 -5.301 223 2HB ALA 75 2HB ALA 75 -0.592 0.916 -6.352 224 3HB ALA 75 3HB ALA 75 -0.031 2.407 -5.559 225 H THR 76 H THR 76 -3.183 4.451 -6.589 226 HA THR 76 HA THR 76 -5.338 2.708 -7.592 227 HB THR 76 HB THR 76 -6.693 3.644 -5.731 228 HG1 THR 76 1HG THR 76 -5.302 5.038 -4.232 229 1HG2 THR 76 1HG2 THR 76 -5.537 2.698 -3.819 230 2HG2 THR 76 2HG2 THR 76 -5.069 1.699 -5.216 231 3HG2 THR 76 3HG2 THR 76 -3.949 2.930 -4.588 232 H GLY 77 H GLY 77 -5.130 6.171 -6.568 233 1HA GLY 77 1HA GLY 77 -5.061 7.867 -8.322 234 2HA GLY 77 2HA GLY 77 -6.152 6.865 -9.259 235 H LEU 78 H LEU 78 -6.606 6.951 -5.761 236 HA LEU 78 HA LEU 78 -9.217 7.995 -6.058 237 1HB LEU 78 1HB LEU 78 -7.480 7.346 -3.684 238 2HB LEU 78 2HB LEU 78 -9.095 8.004 -3.516 239 HG LEU 78 HG LEU 78 -8.661 5.517 -5.150 240 1HD1 LEU 78 1HD1 LEU 78 -8.672 5.715 -2.140 241 2HD1 LEU 78 2HD1 LEU 78 -9.193 4.244 -2.996 242 3HD1 LEU 78 3HD1 LEU 78 -7.534 4.855 -3.205 243 1HD2 LEU 78 1HD2 LEU 78 -10.850 6.745 -5.135 244 2HD2 LEU 78 2HD2 LEU 78 -10.936 5.043 -4.620 245 3HD2 LEU 78 3HD2 LEU 78 -10.991 6.345 -3.406 246 H GLY 79 H GLY 79 -10.066 9.993 -5.111 247 1HA GLY 79 1HA GLY 79 -8.730 12.280 -5.886 248 2HA GLY 79 2HA GLY 79 -10.043 12.208 -4.728 249 H LEU 80 H LEU 80 -7.633 13.962 -4.721 250 HA LEU 80 HA LEU 80 -5.610 13.198 -3.095 251 1HB LEU 80 1HB LEU 80 -6.147 15.425 -4.299 252 2HB LEU 80 2HB LEU 80 -6.922 15.884 -2.796 253 HG LEU 80 HG LEU 80 -4.672 15.273 -1.671 254 1HD1 LEU 80 1HD1 LEU 80 -2.714 15.675 -3.229 255 2HD1 LEU 80 2HD1 LEU 80 -3.542 14.108 -3.390 256 3HD1 LEU 80 3HD1 LEU 80 -3.845 15.402 -4.575 257 1HD2 LEU 80 1HD2 LEU 80 -5.506 17.538 -1.786 258 2HD2 LEU 80 2HD2 LEU 80 -3.763 17.524 -2.147 259 3HD2 LEU 80 3HD2 LEU 80 -4.944 17.698 -3.468 260 H LYS 81 H LYS 81 -8.855 14.437 -2.059 261 HA LYS 81 HA LYS 81 -8.328 14.296 0.672 262 1HB LYS 81 1HB LYS 81 -10.171 15.578 -0.313 263 2HB LYS 81 2HB LYS 81 -10.957 14.099 -0.829 264 1HG LYS 81 1HG LYS 81 -12.055 14.558 1.204 265 2HG LYS 81 2HG LYS 81 -10.838 13.397 1.697 266 1HD LYS 81 1HD LYS 81 -9.335 15.259 2.410 267 2HD LYS 81 2HD LYS 81 -10.529 16.432 1.890 268 1HE LYS 81 1HE LYS 81 -12.113 14.949 3.524 269 2HE LYS 81 2HE LYS 81 -10.570 14.605 4.281 270 1HZ LYS 81 1HZ LYS 81 -10.266 17.123 4.152 271 2HZ LYS 81 2HZ LYS 81 -11.885 17.185 3.948 272 3HZ LYS 81 3HZ LYS 81 -11.258 16.519 5.301 273 H GLU 82 H GLU 82 -10.233 11.974 -1.385 274 HA GLU 82 HA GLU 82 -10.713 10.108 0.447 275 1HB GLU 82 1HB GLU 82 -10.010 9.854 -2.493 276 2HB GLU 82 2HB GLU 82 -10.410 8.431 -1.551 277 1HG GLU 82 1HG GLU 82 -12.206 10.896 -1.661 278 2HG GLU 82 2HG GLU 82 -12.369 9.552 -2.775 279 H ALA 83 H ALA 83 -7.623 10.563 -1.362 280 HA ALA 83 HA ALA 83 -6.410 8.206 -0.447 281 1HB ALA 83 1HB ALA 83 -4.297 9.499 -1.129 282 2HB ALA 83 2HB ALA 83 -5.536 9.274 -2.387 283 3HB ALA 83 3HB ALA 83 -5.387 10.840 -1.555 284 H LYS 84 H LYS 84 -6.392 11.618 0.759 285 HA LYS 84 HA LYS 84 -4.552 11.234 2.794 286 1HB LYS 84 1HB LYS 84 -5.338 13.423 1.948 287 2HB LYS 84 2HB LYS 84 -6.903 13.149 2.689 288 1HG LYS 84 1HG LYS 84 -5.814 12.980 4.935 289 2HG LYS 84 2HG LYS 84 -4.246 13.244 4.197 290 1HD LYS 84 1HD LYS 84 -4.822 15.494 3.532 291 2HD LYS 84 2HD LYS 84 -6.524 15.237 3.861 292 1HE LYS 84 1HE LYS 84 -6.176 15.203 6.242 293 2HE LYS 84 2HE LYS 84 -4.445 14.996 6.070 294 1HZ LYS 84 1HZ LYS 84 -4.990 17.254 6.592 295 2HZ LYS 84 2HZ LYS 84 -4.347 17.196 5.092 296 3HZ LYS 84 3HZ LYS 84 -5.957 17.389 5.282 297 H ASP 85 H ASP 85 -8.180 11.048 2.893 298 HA ASP 85 HA ASP 85 -8.368 10.428 5.539 299 1HB ASP 85 1HB ASP 85 -10.073 9.511 3.180 300 2HB ASP 85 2HB ASP 85 -10.552 9.284 4.850 301 H LEU 86 H LEU 86 -8.035 8.291 2.624 302 HA LEU 86 HA LEU 86 -8.342 5.843 3.785 303 1HB LEU 86 1HB LEU 86 -8.173 6.175 1.411 304 2HB LEU 86 2HB LEU 86 -6.515 6.727 1.552 305 HG LEU 86 HG LEU 86 -6.871 4.366 0.697 306 1HD1 LEU 86 1HD1 LEU 86 -5.140 3.923 3.004 307 2HD1 LEU 86 2HD1 LEU 86 -4.754 3.973 1.267 308 3HD1 LEU 86 3HD1 LEU 86 -4.837 5.485 2.202 309 1HD2 LEU 86 1HD2 LEU 86 -7.301 2.593 2.277 310 2HD2 LEU 86 2HD2 LEU 86 -7.441 3.765 3.611 311 3HD2 LEU 86 3HD2 LEU 86 -8.652 3.753 2.305 312 H VAL 87 H VAL 87 -5.213 7.652 3.378 313 HA VAL 87 HA VAL 87 -3.690 5.758 4.731 314 HB VAL 87 HB VAL 87 -3.340 8.706 4.186 315 1HG1 VAL 87 1HG1 VAL 87 -0.892 8.262 4.708 316 2HG1 VAL 87 2HG1 VAL 87 -1.988 8.339 6.107 317 3HG1 VAL 87 3HG1 VAL 87 -1.424 6.762 5.502 318 1HG2 VAL 87 1HG2 VAL 87 -3.384 7.179 2.236 319 2HG2 VAL 87 2HG2 VAL 87 -1.797 7.953 2.458 320 3HG2 VAL 87 3HG2 VAL 87 -2.037 6.258 2.946 321 H GLU 88 H GLU 88 -5.604 8.574 5.858 322 HA GLU 88 HA GLU 88 -4.480 8.533 8.436 323 1HB GLU 88 1HB GLU 88 -6.902 9.860 7.184 324 2HB GLU 88 2HB GLU 88 -6.630 9.968 8.912 325 1HG GLU 88 1HG GLU 88 -4.261 10.811 8.381 326 2HG GLU 88 2HG GLU 88 -4.748 10.906 6.701 327 H SER 89 H SER 89 -6.733 6.505 6.816 328 HA SER 89 HA SER 89 -8.097 5.852 9.287 329 1HB SER 89 1HB SER 89 -8.628 5.028 6.399 330 2HB SER 89 2HB SER 89 -9.578 4.474 7.763 331 HG SER 89 HG SER 89 -10.029 6.777 8.238 332 H ALA 90 H ALA 90 -5.203 5.169 8.577 333 HA ALA 90 HA ALA 90 -5.021 2.450 7.950 334 1HB ALA 90 1HB ALA 90 -3.103 3.886 7.762 335 2HB ALA 90 2HB ALA 90 -3.221 4.370 9.471 336 3HB ALA 90 3HB ALA 90 -2.744 2.708 9.047 337 HA PRO 91 HA PRO 91 -3.870 0.874 8.470 338 1HB PRO 91 1HB PRO 91 -4.523 -1.773 8.667 339 2HB PRO 91 2HB PRO 91 -3.131 -1.067 9.465 340 1HG PRO 91 1HG PRO 91 -5.717 -1.898 10.634 341 2HG PRO 91 2HG PRO 91 -4.192 -1.599 11.444 342 1HD PRO 91 1HD PRO 91 -6.474 0.139 11.385 343 2HD PRO 91 2HD PRO 91 -4.909 0.486 12.094 344 H ALA 92 H ALA 92 -4.316 0.171 6.319 345 HA ALA 92 HA ALA 92 -7.095 -0.370 5.770 346 1HB ALA 92 1HB ALA 92 -7.485 1.559 4.402 347 2HB ALA 92 2HB ALA 92 -6.866 2.161 5.959 348 3HB ALA 92 3HB ALA 92 -5.790 2.085 4.543 349 H ALA 93 H ALA 93 -7.340 -1.500 3.824 350 HA ALA 93 HA ALA 93 -4.947 -2.571 2.715 351 1HB ALA 93 1HB ALA 93 -6.490 -3.858 1.328 352 2HB ALA 93 2HB ALA 93 -7.085 -3.827 3.006 353 3HB ALA 93 3HB ALA 93 -7.836 -2.783 1.777 354 H LEU 94 H LEU 94 -3.824 -1.952 0.908 355 HA LEU 94 HA LEU 94 -4.797 0.434 -0.445 356 1HB LEU 94 1HB LEU 94 -2.130 -0.982 -0.460 357 2HB LEU 94 2HB LEU 94 -2.502 0.427 -1.432 358 HG LEU 94 HG LEU 94 -2.448 0.290 1.595 359 1HD1 LEU 94 1HD1 LEU 94 -0.225 0.326 0.874 360 2HD1 LEU 94 2HD1 LEU 94 -0.575 1.438 -0.470 361 3HD1 LEU 94 3HD1 LEU 94 -0.603 2.033 1.208 362 1HD2 LEU 94 1HD2 LEU 94 -4.174 1.813 1.105 363 2HD2 LEU 94 2HD2 LEU 94 -2.729 2.814 1.396 364 3HD2 LEU 94 3HD2 LEU 94 -3.285 2.513 -0.268 365 H LYS 95 H LYS 95 -3.865 -2.994 -1.054 366 HA LYS 95 HA LYS 95 -5.517 -2.913 -3.435 367 1HB LYS 95 1HB LYS 95 -2.847 -4.160 -3.843 368 2HB LYS 95 2HB LYS 95 -3.909 -3.367 -4.988 369 1HG LYS 95 1HG LYS 95 -3.346 -1.146 -3.945 370 2HG LYS 95 2HG LYS 95 -2.251 -1.956 -2.843 371 1HD LYS 95 1HD LYS 95 -1.944 -2.353 -5.835 372 2HD LYS 95 2HD LYS 95 -1.313 -0.902 -5.080 373 1HE LYS 95 1HE LYS 95 0.126 -2.204 -3.596 374 2HE LYS 95 2HE LYS 95 -0.634 -3.705 -4.083 375 1HZ LYS 95 1HZ LYS 95 1.317 -3.530 -5.310 376 2HZ LYS 95 2HZ LYS 95 0.148 -3.130 -6.377 377 3HZ LYS 95 3HZ LYS 95 1.074 -1.966 -5.705 378 H GLU 96 H GLU 96 -6.259 -5.025 -4.076 379 HA GLU 96 HA GLU 96 -5.667 -7.049 -2.061 380 1HB GLU 96 1HB GLU 96 -8.378 -6.396 -3.297 381 2HB GLU 96 2HB GLU 96 -8.071 -7.783 -2.272 382 1HG GLU 96 1HG GLU 96 -7.277 -6.190 -0.456 383 2HG GLU 96 2HG GLU 96 -7.760 -4.851 -1.477 384 H GLY 97 H GLY 97 -4.999 -8.998 -2.887 385 1HA GLY 97 1HA GLY 97 -4.461 -10.578 -4.390 386 2HA GLY 97 2HA GLY 97 -6.035 -10.279 -5.102 387 H VAL 98 H VAL 98 -2.786 -8.641 -4.916 388 HA VAL 98 HA VAL 98 -3.090 -8.066 -7.781 389 HB VAL 98 HB VAL 98 -1.493 -6.223 -7.356 390 1HG1 VAL 98 1HG1 VAL 98 -4.053 -6.026 -7.288 391 2HG1 VAL 98 2HG1 VAL 98 -3.877 -5.925 -5.520 392 3HG1 VAL 98 3HG1 VAL 98 -3.109 -4.704 -6.563 393 1HG2 VAL 98 1HG2 VAL 98 -2.000 -6.533 -4.403 394 2HG2 VAL 98 2HG2 VAL 98 -0.646 -7.388 -5.181 395 3HG2 VAL 98 3HG2 VAL 98 -0.731 -5.612 -5.244 396 H SER 99 H SER 99 -1.018 -8.114 -9.043 397 HA SER 99 HA SER 99 0.208 -10.547 -8.727 398 1HB SER 99 1HB SER 99 1.774 -9.773 -10.471 399 2HB SER 99 2HB SER 99 0.130 -9.307 -10.860 400 HG SER 99 HG SER 99 0.581 -7.192 -10.518 401 H LYS 100 H LYS 100 2.257 -11.207 -7.885 402 HA LYS 100 HA LYS 100 3.074 -9.945 -5.566 403 1HB LYS 100 1HB LYS 100 3.412 -12.345 -6.204 404 2HB LYS 100 2HB LYS 100 4.695 -11.842 -7.286 405 1HG LYS 100 1HG LYS 100 4.832 -10.830 -4.457 406 2HG LYS 100 2HG LYS 100 5.150 -12.536 -4.703 407 1HD LYS 100 1HD LYS 100 6.548 -10.328 -6.283 408 2HD LYS 100 2HD LYS 100 7.206 -11.023 -4.813 409 1HE LYS 100 1HE LYS 100 8.014 -12.811 -5.956 410 2HE LYS 100 2HE LYS 100 6.422 -13.183 -6.584 411 1HZ LYS 100 1HZ LYS 100 8.433 -11.409 -7.748 412 2HZ LYS 100 2HZ LYS 100 7.711 -12.707 -8.425 413 3HZ LYS 100 3HZ LYS 100 6.869 -11.325 -8.206 414 H ASP 101 H ASP 101 4.361 -9.743 -8.931 415 HA ASP 101 HA ASP 101 6.665 -8.422 -8.365 416 1HB ASP 101 1HB ASP 101 4.769 -8.133 -10.739 417 2HB ASP 101 2HB ASP 101 6.375 -7.432 -10.715 418 H ASP 102 H ASP 102 3.284 -7.246 -8.671 419 HA ASP 102 HA ASP 102 4.016 -4.526 -8.792 420 1HB ASP 102 1HB ASP 102 1.438 -6.067 -8.382 421 2HB ASP 102 2HB ASP 102 1.449 -4.335 -8.115 422 H ALA 103 H ALA 103 3.189 -6.930 -6.285 423 HA ALA 103 HA ALA 103 2.578 -5.110 -4.223 424 1HB ALA 103 1HB ALA 103 1.785 -7.243 -3.809 425 2HB ALA 103 2HB ALA 103 3.234 -8.030 -4.481 426 3HB ALA 103 3HB ALA 103 3.293 -7.287 -2.864 427 H GLU 104 H GLU 104 5.594 -6.900 -5.150 428 HA GLU 104 HA GLU 104 7.025 -5.843 -2.980 429 1HB GLU 104 1HB GLU 104 8.919 -6.988 -3.910 430 2HB GLU 104 2HB GLU 104 7.525 -7.999 -4.236 431 1HG GLU 104 1HG GLU 104 7.375 -7.071 -6.546 432 2HG GLU 104 2HG GLU 104 8.742 -6.022 -6.224 433 H ALA 105 H ALA 105 6.369 -4.786 -6.304 434 HA ALA 105 HA ALA 105 8.550 -3.064 -6.613 435 1HB ALA 105 1HB ALA 105 7.279 -3.748 -8.523 436 2HB ALA 105 2HB ALA 105 5.758 -3.163 -7.807 437 3HB ALA 105 3HB ALA 105 6.998 -2.000 -8.337 438 H LEU 106 H LEU 106 5.161 -2.490 -5.445 439 HA LEU 106 HA LEU 106 5.657 0.250 -4.929 440 1HB LEU 106 1HB LEU 106 3.454 -0.885 -5.445 441 2HB LEU 106 2HB LEU 106 3.462 -1.478 -3.797 442 HG LEU 106 HG LEU 106 3.660 0.974 -3.071 443 1HD1 LEU 106 1HD1 LEU 106 4.287 2.150 -4.977 444 2HD1 LEU 106 2HD1 LEU 106 3.104 1.312 -6.010 445 3HD1 LEU 106 3HD1 LEU 106 2.553 2.518 -4.823 446 1HD2 LEU 106 1HD2 LEU 106 1.633 -0.356 -2.786 447 2HD2 LEU 106 2HD2 LEU 106 1.240 1.324 -3.226 448 3HD2 LEU 106 3HD2 LEU 106 1.128 0.034 -4.447 449 H LYS 107 H LYS 107 5.818 -2.784 -3.024 450 HA LYS 107 HA LYS 107 6.013 -1.661 -0.507 451 1HB LYS 107 1HB LYS 107 5.689 -4.072 -1.052 452 2HB LYS 107 2HB LYS 107 7.372 -4.171 -1.530 453 1HG LYS 107 1HG LYS 107 7.933 -3.230 0.827 454 2HG LYS 107 2HG LYS 107 6.261 -3.555 1.238 455 1HD LYS 107 1HD LYS 107 7.326 -5.545 1.909 456 2HD LYS 107 2HD LYS 107 6.724 -5.972 0.321 457 1HE LYS 107 1HE LYS 107 8.915 -5.584 -0.698 458 2HE LYS 107 2HE LYS 107 9.541 -4.894 0.787 459 1HZ LYS 107 1HZ LYS 107 8.617 -7.668 0.492 460 2HZ LYS 107 2HZ LYS 107 10.180 -7.192 0.508 461 3HZ LYS 107 3HZ LYS 107 9.258 -7.017 1.845 462 H LYS 108 H LYS 108 8.612 -2.424 -2.915 463 HA LYS 108 HA LYS 108 10.748 -1.668 -1.343 464 1HB LYS 108 1HB LYS 108 10.297 -1.721 -4.326 465 2HB LYS 108 2HB LYS 108 11.825 -1.203 -3.644 466 1HG LYS 108 1HG LYS 108 12.219 -3.333 -2.607 467 2HG LYS 108 2HG LYS 108 10.548 -3.827 -2.789 468 1HD LYS 108 1HD LYS 108 10.852 -3.811 -5.298 469 2HD LYS 108 2HD LYS 108 12.541 -3.407 -5.068 470 1HE LYS 108 1HE LYS 108 12.952 -5.513 -3.874 471 2HE LYS 108 2HE LYS 108 11.241 -5.895 -3.866 472 1HZ LYS 108 1HZ LYS 108 11.266 -6.142 -6.190 473 2HZ LYS 108 2HZ LYS 108 12.768 -5.518 -6.343 474 3HZ LYS 108 3HZ LYS 108 12.557 -6.976 -5.637 475 H ALA 109 H ALA 109 8.600 0.307 -3.464 476 HA ALA 109 HA ALA 109 10.072 2.682 -3.153 477 1HB ALA 109 1HB ALA 109 7.858 3.698 -3.938 478 2HB ALA 109 2HB ALA 109 8.577 2.465 -5.003 479 3HB ALA 109 3HB ALA 109 7.211 2.040 -3.943 480 H LEU 110 H LEU 110 7.387 1.142 -1.323 481 HA LEU 110 HA LEU 110 6.800 3.383 0.255 482 1HB LEU 110 1HB LEU 110 6.364 0.427 0.684 483 2HB LEU 110 2HB LEU 110 5.732 1.671 1.745 484 HG LEU 110 HG LEU 110 5.097 1.836 -1.177 485 1HD1 LEU 110 1HD1 LEU 110 4.183 -0.192 -1.237 486 2HD1 LEU 110 2HD1 LEU 110 4.414 -0.430 0.512 487 3HD1 LEU 110 3HD1 LEU 110 2.966 0.414 -0.087 488 1HD2 LEU 110 1HD2 LEU 110 3.594 2.542 1.358 489 2HD2 LEU 110 2HD2 LEU 110 4.396 3.665 0.232 490 3HD2 LEU 110 3HD2 LEU 110 2.968 2.745 -0.295 491 H GLU 111 H GLU 111 9.098 0.636 0.629 492 HA GLU 111 HA GLU 111 9.824 1.350 3.236 493 1HB GLU 111 1HB GLU 111 11.204 -0.336 1.106 494 2HB GLU 111 2HB GLU 111 11.832 -0.164 2.734 495 1HG GLU 111 1HG GLU 111 8.938 -0.966 2.373 496 2HG GLU 111 2HG GLU 111 10.182 -2.171 2.104 497 H GLU 112 H GLU 112 11.049 2.195 -0.032 498 HA GLU 112 HA GLU 112 13.390 3.401 0.727 499 1HB GLU 112 1HB GLU 112 11.475 3.807 -1.580 500 2HB GLU 112 2HB GLU 112 12.860 4.867 -1.410 501 1HG GLU 112 1HG GLU 112 13.249 1.865 -1.252 502 2HG GLU 112 2HG GLU 112 13.071 2.630 -2.818 503 H ALA 113 H ALA 113 10.012 4.561 0.846 504 HA ALA 113 HA ALA 113 10.791 7.270 1.393 505 1HB ALA 113 1HB ALA 113 8.128 5.798 1.496 506 2HB ALA 113 2HB ALA 113 8.326 7.552 1.713 507 3HB ALA 113 3HB ALA 113 8.744 6.796 0.157 508 H GLY 114 H GLY 114 9.826 4.334 3.202 509 1HA GLY 114 1HA GLY 114 10.746 4.013 5.373 510 2HA GLY 114 2HA GLY 114 10.618 5.734 5.674 511 H ALA 115 H ALA 115 8.368 3.118 4.500 512 HA ALA 115 HA ALA 115 6.573 3.889 6.692 513 1HB ALA 115 1HB ALA 115 5.636 3.090 3.917 514 2HB ALA 115 2HB ALA 115 4.687 3.813 5.237 515 3HB ALA 115 3HB ALA 115 5.909 4.786 4.382 516 H GLU 116 H GLU 116 4.944 2.075 7.151 517 HA GLU 116 HA GLU 116 6.359 -0.449 6.796 518 1HB GLU 116 1HB GLU 116 6.096 0.460 9.157 519 2HB GLU 116 2HB GLU 116 4.363 0.272 8.984 520 1HG GLU 116 1HG GLU 116 4.509 -2.109 8.825 521 2HG GLU 116 2HG GLU 116 6.220 -2.070 8.448 522 H VAL 117 H VAL 117 5.409 -1.895 5.431 523 HA VAL 117 HA VAL 117 2.500 -1.657 5.079 524 HB VAL 117 HB VAL 117 4.638 -2.263 3.025 525 1HG1 VAL 117 1HG1 VAL 117 1.666 -1.982 2.520 526 2HG1 VAL 117 2HG1 VAL 117 2.928 -2.558 1.406 527 3HG1 VAL 117 3HG1 VAL 117 2.452 -3.554 2.803 528 1HG2 VAL 117 1HG2 VAL 117 3.051 -0.111 2.186 529 2HG2 VAL 117 2HG2 VAL 117 3.376 0.199 3.908 530 3HG2 VAL 117 3HG2 VAL 117 4.727 -0.046 2.776 531 H GLU 118 H GLU 118 1.313 -3.563 5.125 532 HA GLU 118 HA GLU 118 2.864 -5.872 5.943 533 1HB GLU 118 1HB GLU 118 1.098 -5.220 7.489 534 2HB GLU 118 2HB GLU 118 -0.093 -5.193 6.204 535 1HG GLU 118 1HG GLU 118 -0.370 -7.281 7.412 536 2HG GLU 118 2HG GLU 118 0.303 -7.667 5.840 537 H VAL 119 H VAL 119 2.955 -7.758 4.730 538 HA VAL 119 HA VAL 119 1.465 -7.683 2.201 539 HB VAL 119 HB VAL 119 4.027 -9.122 2.923 540 1HG1 VAL 119 1HG1 VAL 119 2.735 -10.309 1.212 541 2HG1 VAL 119 2HG1 VAL 119 2.614 -8.815 0.252 542 3HG1 VAL 119 3HG1 VAL 119 4.201 -9.581 0.511 543 1HG2 VAL 119 1HG2 VAL 119 5.022 -7.458 1.272 544 2HG2 VAL 119 2HG2 VAL 119 3.505 -6.539 1.430 545 3HG2 VAL 119 3HG2 VAL 119 4.537 -6.804 2.856 546 H LYS 120 H LYS 120 -0.134 -9.154 1.908 547 HA LYS 120 HA LYS 120 -0.031 -11.568 3.566 548 1HB LYS 120 1HB LYS 120 -1.940 -9.408 3.738 549 2HB LYS 120 2HB LYS 120 -2.751 -10.870 3.219 550 1HG LYS 120 1HG LYS 120 -1.799 -12.123 5.131 551 2HG LYS 120 2HG LYS 120 -0.870 -10.721 5.622 552 1HD LYS 120 1HD LYS 120 -2.793 -10.689 7.033 553 2HD LYS 120 2HD LYS 120 -3.114 -9.461 5.824 554 1HE LYS 120 1HE LYS 120 -4.547 -10.999 4.551 555 2HE LYS 120 2HE LYS 120 -4.114 -12.338 5.595 556 1HZ LYS 120 1HZ LYS 120 -5.615 -9.937 6.371 557 2HZ LYS 120 2HZ LYS 120 -6.179 -11.468 6.291 558 3HZ LYS 120 3HZ LYS 120 -5.091 -11.057 7.438 Start of MODEL 19 1 1H ALA 47 H ALA 47 -3.662 -29.862 -3.450 2 HA ALA 47 HA ALA 47 -1.708 -27.963 -2.666 3 1HB ALA 47 1HB ALA 47 -1.728 -30.863 -3.555 4 2HB ALA 47 2HB ALA 47 -0.220 -29.994 -3.185 5 3HB ALA 47 3HB ALA 47 -1.456 -30.207 -1.922 6 H ALA 48 H ALA 48 0.453 -28.022 -4.090 7 HA ALA 48 HA ALA 48 1.345 -26.979 -5.852 8 1HB ALA 48 1HB ALA 48 1.201 -28.308 -7.913 9 2HB ALA 48 2HB ALA 48 1.321 -29.376 -6.495 10 3HB ALA 48 3HB ALA 48 -0.249 -29.134 -7.296 11 H GLU 49 H GLU 49 -0.444 -25.244 -5.072 12 HA GLU 49 HA GLU 49 -2.202 -24.762 -7.339 13 1HB GLU 49 1HB GLU 49 -2.226 -23.731 -4.475 14 2HB GLU 49 2HB GLU 49 -3.256 -23.058 -5.724 15 1HG GLU 49 1HG GLU 49 -4.199 -25.358 -6.150 16 2HG GLU 49 2HG GLU 49 -3.209 -25.986 -4.848 17 H GLU 50 H GLU 50 -2.530 -22.257 -7.770 18 HA GLU 50 HA GLU 50 0.123 -21.257 -8.234 19 1HB GLU 50 1HB GLU 50 -2.547 -20.909 -9.421 20 2HB GLU 50 2HB GLU 50 -1.703 -19.384 -9.244 21 1HG GLU 50 1HG GLU 50 -0.990 -20.162 -11.367 22 2HG GLU 50 2HG GLU 50 0.346 -20.581 -10.312 23 H LYS 51 H LYS 51 1.100 -19.644 -7.063 24 HA LYS 51 HA LYS 51 -0.619 -18.236 -5.140 25 1HB LYS 51 1HB LYS 51 2.263 -19.140 -4.947 26 2HB LYS 51 2HB LYS 51 1.559 -17.970 -3.849 27 1HG LYS 51 1HG LYS 51 -0.208 -19.612 -3.211 28 2HG LYS 51 2HG LYS 51 0.460 -20.780 -4.332 29 1HD LYS 51 1HD LYS 51 2.714 -20.369 -2.978 30 2HD LYS 51 2HD LYS 51 1.639 -19.762 -1.735 31 1HE LYS 51 1HE LYS 51 0.311 -21.963 -1.984 32 2HE LYS 51 2HE LYS 51 1.631 -22.549 -2.976 33 1HZ LYS 51 1HZ LYS 51 2.001 -23.182 -0.742 34 2HZ LYS 51 2HZ LYS 51 3.112 -22.041 -1.102 35 3HZ LYS 51 3HZ LYS 51 1.818 -21.658 -0.183 36 H THR 52 H THR 52 -1.181 -16.706 -6.869 37 HA THR 52 HA THR 52 0.971 -14.732 -7.199 38 HB THR 52 HB THR 52 0.019 -14.399 -9.553 39 HG1 THR 52 1HG THR 52 -1.096 -17.030 -8.931 40 1HG2 THR 52 1HG2 THR 52 1.050 -17.206 -8.881 41 2HG2 THR 52 2HG2 THR 52 0.961 -16.520 -10.522 42 3HG2 THR 52 3HG2 THR 52 2.058 -15.805 -9.315 43 H GLU 53 H GLU 53 -1.110 -14.917 -5.161 44 HA GLU 53 HA GLU 53 -2.522 -12.488 -5.925 45 1HB GLU 53 1HB GLU 53 -3.647 -14.995 -4.647 46 2HB GLU 53 2HB GLU 53 -4.410 -13.443 -4.366 47 1HG GLU 53 1HG GLU 53 -4.956 -13.147 -6.667 48 2HG GLU 53 2HG GLU 53 -3.768 -14.320 -7.199 49 H PHE 54 H PHE 54 -1.087 -11.134 -4.777 50 HA PHE 54 HA PHE 54 -0.926 -11.686 -1.899 51 1HB PHE 54 1HB PHE 54 0.816 -10.163 -3.921 52 2HB PHE 54 2HB PHE 54 1.078 -10.023 -2.195 53 HD1 PHE 54 1HD PHE 54 0.996 -12.487 -4.969 54 HD2 PHE 54 2HD PHE 54 2.377 -11.606 -1.054 55 HE1 PHE 54 1HE PHE 54 2.457 -14.528 -5.025 56 HE2 PHE 54 2HE PHE 54 3.838 -13.647 -1.110 57 HZ PHE 54 HZ PHE 54 3.859 -15.084 -3.095 58 H ASP 55 H ASP 55 -1.420 -10.029 -0.410 59 HA ASP 55 HA ASP 55 -2.847 -7.817 -1.651 60 1HB ASP 55 1HB ASP 55 -3.054 -8.745 1.245 61 2HB ASP 55 2HB ASP 55 -4.160 -7.688 0.390 62 H VAL 56 H VAL 56 -2.298 -5.656 -1.003 63 HA VAL 56 HA VAL 56 0.026 -5.475 0.787 64 HB VAL 56 HB VAL 56 -0.771 -3.856 -1.635 65 1HG1 VAL 56 1HG1 VAL 56 1.273 -3.279 0.517 66 2HG1 VAL 56 2HG1 VAL 56 1.433 -2.631 -1.134 67 3HG1 VAL 56 3HG1 VAL 56 0.014 -2.209 -0.148 68 1HG2 VAL 56 1HG2 VAL 56 1.958 -4.777 -1.592 69 2HG2 VAL 56 2HG2 VAL 56 0.859 -6.148 -1.304 70 3HG2 VAL 56 3HG2 VAL 56 0.664 -5.141 -2.758 71 H ILE 57 H ILE 57 -0.527 -4.705 2.754 72 HA ILE 57 HA ILE 57 -2.807 -2.859 2.852 73 HB ILE 57 HB ILE 57 -1.686 -4.723 4.948 74 1HG1 ILE 57 1HG1 ILE 57 -4.337 -5.364 4.537 75 2HG1 ILE 57 2HG1 ILE 57 -3.800 -4.971 2.916 76 1HG2 ILE 57 1HG2 ILE 57 -3.484 -4.000 6.388 77 2HG2 ILE 57 2HG2 ILE 57 -2.515 -2.590 5.900 78 3HG2 ILE 57 3HG2 ILE 57 -4.094 -2.891 5.136 79 1HD1 ILE 57 1HD1 ILE 57 -3.466 -7.396 3.534 80 2HD1 ILE 57 2HD1 ILE 57 -1.961 -6.574 3.054 81 3HD1 ILE 57 3HD1 ILE 57 -2.303 -6.872 4.775 82 H LEU 58 H LEU 58 -2.630 -0.911 4.056 83 HA LEU 58 HA LEU 58 0.153 -0.151 4.574 84 1HB LEU 58 1HB LEU 58 -1.077 1.143 2.885 85 2HB LEU 58 2HB LEU 58 -2.288 1.561 4.080 86 HG LEU 58 HG LEU 58 -0.620 3.357 3.599 87 1HD1 LEU 58 1HD1 LEU 58 -0.636 4.176 5.755 88 2HD1 LEU 58 2HD1 LEU 58 -1.928 2.955 5.823 89 3HD1 LEU 58 3HD1 LEU 58 -0.318 2.585 6.485 90 1HD2 LEU 58 1HD2 LEU 58 1.635 3.223 4.327 91 2HD2 LEU 58 2HD2 LEU 58 1.359 1.663 5.135 92 3HD2 LEU 58 3HD2 LEU 58 1.322 1.763 3.358 93 H LYS 59 H LYS 59 0.807 -0.166 6.651 94 HA LYS 59 HA LYS 59 -1.289 -0.186 8.686 95 1HB LYS 59 1HB LYS 59 1.585 -1.132 8.664 96 2HB LYS 59 2HB LYS 59 0.644 -1.007 10.137 97 1HG LYS 59 1HG LYS 59 -1.101 -2.352 8.414 98 2HG LYS 59 2HG LYS 59 0.462 -2.996 7.953 99 1HD LYS 59 1HD LYS 59 -0.520 -2.855 10.841 100 2HD LYS 59 2HD LYS 59 -0.706 -4.270 9.824 101 1HE LYS 59 1HE LYS 59 1.630 -4.684 9.736 102 2HE LYS 59 2HE LYS 59 2.042 -3.034 10.153 103 1HZ LYS 59 1HZ LYS 59 1.429 -3.394 12.353 104 2HZ LYS 59 2HZ LYS 59 0.624 -4.779 12.029 105 3HZ LYS 59 3HZ LYS 59 2.255 -4.744 11.948 106 H ALA 60 H ALA 60 1.950 1.300 7.985 107 HA ALA 60 HA ALA 60 1.001 3.695 9.358 108 1HB ALA 60 1HB ALA 60 3.782 3.199 9.997 109 2HB ALA 60 2HB ALA 60 2.406 3.454 11.095 110 3HB ALA 60 3HB ALA 60 2.786 1.817 10.512 111 H ALA 61 H ALA 61 1.314 5.418 8.043 112 HA ALA 61 HA ALA 61 2.720 5.168 5.622 113 1HB ALA 61 1HB ALA 61 1.628 7.534 7.188 114 2HB ALA 61 2HB ALA 61 2.342 7.680 5.564 115 3HB ALA 61 3HB ALA 61 0.877 6.699 5.808 116 H GLY 62 H GLY 62 3.655 6.013 8.917 117 1HA GLY 62 1HA GLY 62 5.738 6.233 9.781 118 2HA GLY 62 2HA GLY 62 6.428 6.021 8.183 119 H ALA 63 H ALA 63 7.941 7.777 8.653 120 HA ALA 63 HA ALA 63 6.756 10.398 9.065 121 1HB ALA 63 1HB ALA 63 9.705 9.820 8.774 122 2HB ALA 63 2HB ALA 63 8.889 11.055 9.761 123 3HB ALA 63 3HB ALA 63 8.845 9.348 10.259 124 H ASN 64 H ASN 64 6.069 9.151 6.587 125 HA ASN 64 HA ASN 64 7.208 11.124 4.849 126 1HB ASN 64 1HB ASN 64 8.460 8.697 4.800 127 2HB ASN 64 2HB ASN 64 7.145 8.338 3.699 128 1HD2 ASN 64 1HD2 ASN 64 6.843 11.060 2.762 129 2HD2 ASN 64 2HD2 ASN 64 8.162 11.397 1.690 130 H LYS 65 H LYS 65 4.698 11.362 5.670 131 HA LYS 65 HA LYS 65 2.785 9.639 4.576 132 1HB LYS 65 1HB LYS 65 2.765 11.620 6.424 133 2HB LYS 65 2HB LYS 65 2.048 12.473 5.073 134 1HG LYS 65 1HG LYS 65 0.347 10.683 4.806 135 2HG LYS 65 2HG LYS 65 1.093 9.755 6.092 136 1HD LYS 65 1HD LYS 65 0.667 11.720 7.660 137 2HD LYS 65 2HD LYS 65 -0.222 12.498 6.367 138 1HE LYS 65 1HE LYS 65 -0.911 9.704 7.383 139 2HE LYS 65 2HE LYS 65 -1.628 11.157 8.054 140 1HZ LYS 65 1HZ LYS 65 -1.764 10.349 5.232 141 2HZ LYS 65 2HZ LYS 65 -2.980 10.237 6.316 142 3HZ LYS 65 3HZ LYS 65 -2.429 11.704 5.854 143 H VAL 66 H VAL 66 4.690 12.283 3.233 144 HA VAL 66 HA VAL 66 2.931 13.014 1.177 145 HB VAL 66 HB VAL 66 5.922 13.217 1.531 146 1HG1 VAL 66 1HG1 VAL 66 5.505 13.233 -0.852 147 2HG1 VAL 66 2HG1 VAL 66 4.183 14.407 -0.653 148 3HG1 VAL 66 3HG1 VAL 66 5.862 14.892 -0.314 149 1HG2 VAL 66 1HG2 VAL 66 5.529 15.463 2.194 150 2HG2 VAL 66 2HG2 VAL 66 3.837 15.409 1.648 151 3HG2 VAL 66 3HG2 VAL 66 4.341 14.476 3.076 152 H ALA 67 H ALA 67 5.937 10.964 1.036 153 HA ALA 67 HA ALA 67 5.605 10.156 -1.573 154 1HB ALA 67 1HB ALA 67 7.125 8.298 -0.927 155 2HB ALA 67 2HB ALA 67 7.664 9.864 -0.274 156 3HB ALA 67 3HB ALA 67 6.850 8.689 0.787 157 H VAL 68 H VAL 68 4.265 8.789 1.480 158 HA VAL 68 HA VAL 68 3.247 6.447 0.404 159 HB VAL 68 HB VAL 68 2.399 8.195 2.713 160 1HG1 VAL 68 1HG1 VAL 68 1.097 6.244 3.531 161 2HG1 VAL 68 2HG1 VAL 68 0.439 6.933 2.029 162 3HG1 VAL 68 3HG1 VAL 68 1.386 5.428 1.976 163 1HG2 VAL 68 1HG2 VAL 68 3.535 5.496 3.149 164 2HG2 VAL 68 2HG2 VAL 68 4.645 6.684 2.424 165 3HG2 VAL 68 3HG2 VAL 68 3.864 7.032 3.984 166 H ILE 69 H ILE 69 1.509 9.584 1.029 167 HA ILE 69 HA ILE 69 -0.883 8.846 -0.078 168 HB ILE 69 HB ILE 69 0.530 11.467 0.259 169 1HG1 ILE 69 1HG1 ILE 69 -2.082 10.599 1.480 170 2HG1 ILE 69 2HG1 ILE 69 -0.560 10.024 2.134 171 1HG2 ILE 69 1HG2 ILE 69 -0.698 11.947 -1.689 172 2HG2 ILE 69 2HG2 ILE 69 -2.100 10.994 -1.145 173 3HG2 ILE 69 3HG2 ILE 69 -1.705 12.533 -0.343 174 1HD1 ILE 69 1HD1 ILE 69 -1.464 12.157 3.204 175 2HD1 ILE 69 2HD1 ILE 69 0.204 12.272 2.597 176 3HD1 ILE 69 3HD1 ILE 69 -1.134 12.981 1.663 177 H LYS 70 H LYS 70 2.134 9.925 -1.670 178 HA LYS 70 HA LYS 70 0.996 10.319 -4.208 179 1HB LYS 70 1HB LYS 70 3.787 9.891 -3.162 180 2HB LYS 70 2HB LYS 70 3.486 9.920 -4.889 181 1HG LYS 70 1HG LYS 70 2.403 12.157 -4.675 182 2HG LYS 70 2HG LYS 70 2.656 12.125 -2.941 183 1HD LYS 70 1HD LYS 70 5.115 12.048 -3.273 184 2HD LYS 70 2HD LYS 70 4.900 11.990 -5.010 185 1HE LYS 70 1HE LYS 70 3.477 14.231 -4.566 186 2HE LYS 70 2HE LYS 70 4.463 14.302 -3.119 187 1HZ LYS 70 1HZ LYS 70 6.414 14.191 -4.480 188 2HZ LYS 70 2HZ LYS 70 5.528 14.031 -5.844 189 3HZ LYS 70 3HZ LYS 70 5.475 15.425 -4.994 190 H ALA 71 H ALA 71 2.780 7.507 -2.759 191 HA ALA 71 HA ALA 71 2.592 5.839 -4.944 192 1HB ALA 71 1HB ALA 71 3.236 5.684 -2.110 193 2HB ALA 71 2HB ALA 71 2.365 4.226 -2.643 194 3HB ALA 71 3HB ALA 71 3.864 4.717 -3.466 195 H VAL 72 H VAL 72 0.247 6.479 -2.280 196 HA VAL 72 HA VAL 72 -1.560 4.472 -2.932 197 HB VAL 72 HB VAL 72 -1.953 7.195 -1.678 198 1HG1 VAL 72 1HG1 VAL 72 -3.817 4.831 -1.944 199 2HG1 VAL 72 2HG1 VAL 72 -3.990 6.026 -0.636 200 3HG1 VAL 72 3HG1 VAL 72 -4.119 6.541 -2.334 201 1HG2 VAL 72 1HG2 VAL 72 -0.573 4.926 -0.755 202 2HG2 VAL 72 2HG2 VAL 72 -1.075 6.347 0.191 203 3HG2 VAL 72 3HG2 VAL 72 -2.131 4.918 0.106 204 H ARG 73 H ARG 73 -2.046 8.011 -3.603 205 HA ARG 73 HA ARG 73 -4.092 7.705 -5.305 206 1HB ARG 73 1HB ARG 73 -3.195 9.889 -4.447 207 2HB ARG 73 2HB ARG 73 -1.834 9.760 -5.544 208 1HG ARG 73 1HG ARG 73 -3.398 9.762 -7.494 209 2HG ARG 73 2HG ARG 73 -4.764 9.880 -6.403 210 1HD ARG 73 1HD ARG 73 -4.319 12.128 -7.145 211 2HD ARG 73 2HD ARG 73 -3.740 12.045 -5.493 212 HE ARG 73 HE ARG 73 -1.614 11.333 -7.308 213 1HH1 ARG 73 2HH2 ARG 73 -3.503 14.148 -6.381 214 2HH1 ARG 73 1HH2 ARG 73 -2.174 15.250 -6.523 215 1HH2 ARG 73 2HH1 ARG 73 0.145 12.785 -7.500 216 2HH2 ARG 73 1HH1 ARG 73 -0.100 14.478 -7.224 217 H GLY 74 H GLY 74 -0.626 7.172 -5.905 218 1HA GLY 74 1HA GLY 74 -0.738 7.304 -8.749 219 2HA GLY 74 2HA GLY 74 0.556 6.660 -7.759 220 H ALA 75 H ALA 75 -1.222 4.753 -6.278 221 HA ALA 75 HA ALA 75 -1.088 2.679 -8.293 222 1HB ALA 75 1HB ALA 75 -1.588 1.238 -6.239 223 2HB ALA 75 2HB ALA 75 -0.066 2.159 -6.198 224 3HB ALA 75 3HB ALA 75 -1.479 2.734 -5.282 225 H THR 76 H THR 76 -3.424 4.771 -6.738 226 HA THR 76 HA THR 76 -5.593 3.067 -7.775 227 HB THR 76 HB THR 76 -6.940 3.986 -5.891 228 HG1 THR 76 1HG THR 76 -5.524 5.291 -4.345 229 1HG2 THR 76 1HG2 THR 76 -4.210 3.130 -4.809 230 2HG2 THR 76 2HG2 THR 76 -5.787 2.965 -4.000 231 3HG2 THR 76 3HG2 THR 76 -5.411 1.972 -5.430 232 H GLY 77 H GLY 77 -5.323 6.503 -6.673 233 1HA GLY 77 1HA GLY 77 -5.277 8.236 -8.393 234 2HA GLY 77 2HA GLY 77 -6.407 7.269 -9.320 235 H LEU 78 H LEU 78 -6.833 7.192 -5.842 236 HA LEU 78 HA LEU 78 -9.395 8.386 -6.064 237 1HB LEU 78 1HB LEU 78 -7.717 7.474 -3.729 238 2HB LEU 78 2HB LEU 78 -9.319 8.162 -3.543 239 HG LEU 78 HG LEU 78 -8.699 5.676 -5.163 240 1HD1 LEU 78 1HD1 LEU 78 -10.118 5.666 -2.513 241 2HD1 LEU 78 2HD1 LEU 78 -9.302 4.337 -3.372 242 3HD1 LEU 78 3HD1 LEU 78 -8.341 5.616 -2.595 243 1HD2 LEU 78 1HD2 LEU 78 -11.317 5.490 -4.636 244 2HD2 LEU 78 2HD2 LEU 78 -11.164 7.263 -4.672 245 3HD2 LEU 78 3HD2 LEU 78 -10.674 6.298 -6.085 246 H GLY 79 H GLY 79 -10.141 10.346 -4.980 247 1HA GLY 79 1HA GLY 79 -8.657 12.604 -5.557 248 2HA GLY 79 2HA GLY 79 -10.005 12.522 -4.439 249 H LEU 80 H LEU 80 -7.307 13.991 -4.373 250 HA LEU 80 HA LEU 80 -5.505 13.020 -2.642 251 1HB LEU 80 1HB LEU 80 -5.830 15.349 -3.800 252 2HB LEU 80 2HB LEU 80 -6.517 15.810 -2.253 253 HG LEU 80 HG LEU 80 -4.192 16.443 -2.338 254 1HD1 LEU 80 1HD1 LEU 80 -4.205 14.051 -0.515 255 2HD1 LEU 80 2HD1 LEU 80 -3.519 15.673 -0.254 256 3HD1 LEU 80 3HD1 LEU 80 -5.283 15.435 -0.217 257 1HD2 LEU 80 1HD2 LEU 80 -3.399 13.546 -2.645 258 2HD2 LEU 80 2HD2 LEU 80 -3.582 14.648 -4.032 259 3HD2 LEU 80 3HD2 LEU 80 -2.379 15.001 -2.765 260 H LYS 81 H LYS 81 -8.726 14.420 -1.792 261 HA LYS 81 HA LYS 81 -8.391 14.298 0.964 262 1HB LYS 81 1HB LYS 81 -10.142 15.613 -0.006 263 2HB LYS 81 2HB LYS 81 -10.851 14.221 -0.796 264 1HG LYS 81 1HG LYS 81 -12.142 14.751 1.222 265 2HG LYS 81 2HG LYS 81 -11.350 13.203 1.432 266 1HD LYS 81 1HD LYS 81 -9.870 14.007 3.036 267 2HD LYS 81 2HD LYS 81 -9.811 15.614 2.341 268 1HE LYS 81 1HE LYS 81 -11.003 15.735 4.471 269 2HE LYS 81 2HE LYS 81 -12.145 16.044 3.179 270 1HZ LYS 81 1HZ LYS 81 -12.212 14.017 5.073 271 2HZ LYS 81 2HZ LYS 81 -13.310 14.347 3.908 272 3HZ LYS 81 3HZ LYS 81 -12.080 13.313 3.605 273 H GLU 82 H GLU 82 -10.295 11.995 -1.112 274 HA GLU 82 HA GLU 82 -10.820 10.146 0.719 275 1HB GLU 82 1HB GLU 82 -10.061 9.828 -2.203 276 2HB GLU 82 2HB GLU 82 -10.566 8.451 -1.246 277 1HG GLU 82 1HG GLU 82 -12.710 9.582 -0.700 278 2HG GLU 82 2HG GLU 82 -12.203 11.009 -1.582 279 H ALA 83 H ALA 83 -7.710 10.510 -1.081 280 HA ALA 83 HA ALA 83 -6.555 8.141 -0.135 281 1HB ALA 83 1HB ALA 83 -4.455 9.177 -0.942 282 2HB ALA 83 2HB ALA 83 -5.777 9.378 -2.117 283 3HB ALA 83 3HB ALA 83 -5.287 10.744 -1.085 284 H LYS 84 H LYS 84 -6.471 11.559 1.049 285 HA LYS 84 HA LYS 84 -4.640 11.167 3.084 286 1HB LYS 84 1HB LYS 84 -5.442 13.354 2.220 287 2HB LYS 84 2HB LYS 84 -6.982 13.092 3.014 288 1HG LYS 84 1HG LYS 84 -5.378 12.652 5.147 289 2HG LYS 84 2HG LYS 84 -4.290 13.674 4.230 290 1HD LYS 84 1HD LYS 84 -5.413 15.432 5.144 291 2HD LYS 84 2HD LYS 84 -6.690 15.059 4.003 292 1HE LYS 84 1HE LYS 84 -6.512 13.739 6.748 293 2HE LYS 84 2HE LYS 84 -7.390 15.231 6.477 294 1HZ LYS 84 1HZ LYS 84 -8.780 13.266 6.288 295 2HZ LYS 84 2HZ LYS 84 -8.758 14.110 4.891 296 3HZ LYS 84 3HZ LYS 84 -7.897 12.729 5.023 297 H ASP 85 H ASP 85 -8.266 10.985 3.187 298 HA ASP 85 HA ASP 85 -8.451 10.417 5.845 299 1HB ASP 85 1HB ASP 85 -10.170 9.457 3.510 300 2HB ASP 85 2HB ASP 85 -10.645 9.280 5.187 301 H LEU 86 H LEU 86 -8.178 8.213 2.969 302 HA LEU 86 HA LEU 86 -8.491 5.797 4.193 303 1HB LEU 86 1HB LEU 86 -8.346 6.111 1.799 304 2HB LEU 86 2HB LEU 86 -6.662 6.582 1.921 305 HG LEU 86 HG LEU 86 -7.359 3.902 3.010 306 1HD1 LEU 86 1HD1 LEU 86 -7.284 2.877 0.750 307 2HD1 LEU 86 2HD1 LEU 86 -8.737 3.866 1.036 308 3HD1 LEU 86 3HD1 LEU 86 -7.406 4.505 0.042 309 1HD2 LEU 86 1HD2 LEU 86 -5.207 3.351 1.790 310 2HD2 LEU 86 2HD2 LEU 86 -5.065 5.093 1.445 311 3HD2 LEU 86 3HD2 LEU 86 -5.082 4.517 3.129 312 H VAL 87 H VAL 87 -5.340 7.541 3.675 313 HA VAL 87 HA VAL 87 -3.823 5.644 5.032 314 HB VAL 87 HB VAL 87 -3.375 8.592 4.525 315 1HG1 VAL 87 1HG1 VAL 87 -0.975 8.105 4.863 316 2HG1 VAL 87 2HG1 VAL 87 -1.928 7.843 6.343 317 3HG1 VAL 87 3HG1 VAL 87 -1.393 6.451 5.372 318 1HG2 VAL 87 1HG2 VAL 87 -3.619 6.579 2.687 319 2HG2 VAL 87 2HG2 VAL 87 -2.668 8.064 2.450 320 3HG2 VAL 87 3HG2 VAL 87 -1.866 6.571 2.991 321 H GLU 88 H GLU 88 -5.633 8.536 6.146 322 HA GLU 88 HA GLU 88 -4.455 8.512 8.699 323 1HB GLU 88 1HB GLU 88 -6.726 9.944 7.354 324 2HB GLU 88 2HB GLU 88 -6.725 9.929 9.107 325 1HG GLU 88 1HG GLU 88 -4.133 10.586 8.750 326 2HG GLU 88 2HG GLU 88 -4.739 11.179 7.217 327 H SER 89 H SER 89 -6.802 6.518 7.163 328 HA SER 89 HA SER 89 -8.024 5.874 9.721 329 1HB SER 89 1HB SER 89 -8.871 5.282 6.853 330 2HB SER 89 2HB SER 89 -9.691 4.611 8.250 331 HG SER 89 HG SER 89 -10.690 6.590 7.441 332 H ALA 90 H ALA 90 -5.256 5.074 8.625 333 HA ALA 90 HA ALA 90 -5.163 2.473 7.785 334 1HB ALA 90 1HB ALA 90 -2.951 2.521 9.210 335 2HB ALA 90 2HB ALA 90 -3.129 3.616 7.818 336 3HB ALA 90 3HB ALA 90 -3.381 4.229 9.471 337 HA PRO 91 HA PRO 91 -3.950 0.837 8.179 338 1HB PRO 91 1HB PRO 91 -4.531 -1.828 7.998 339 2HB PRO 91 2HB PRO 91 -3.215 -1.198 8.969 340 1HG PRO 91 1HG PRO 91 -5.840 -2.231 9.853 341 2HG PRO 91 2HG PRO 91 -4.379 -2.000 10.791 342 1HD PRO 91 1HD PRO 91 -6.705 -0.324 10.801 343 2HD PRO 91 2HD PRO 91 -5.201 -0.033 11.650 344 H ALA 92 H ALA 92 -4.244 0.282 5.929 345 HA ALA 92 HA ALA 92 -7.083 0.127 5.243 346 1HB ALA 92 1HB ALA 92 -5.114 2.298 4.551 347 2HB ALA 92 2HB ALA 92 -6.359 1.845 3.362 348 3HB ALA 92 3HB ALA 92 -6.838 2.423 4.976 349 H ALA 93 H ALA 93 -7.424 -0.638 2.993 350 HA ALA 93 HA ALA 93 -5.306 -2.492 2.267 351 1HB ALA 93 1HB ALA 93 -7.065 -3.473 0.825 352 2HB ALA 93 2HB ALA 93 -7.612 -3.322 2.513 353 3HB ALA 93 3HB ALA 93 -8.171 -2.157 1.288 354 H LEU 94 H LEU 94 -3.759 -1.800 0.881 355 HA LEU 94 HA LEU 94 -4.329 0.437 -0.848 356 1HB LEU 94 1HB LEU 94 -1.955 -1.007 0.146 357 2HB LEU 94 2HB LEU 94 -1.822 -0.398 -1.493 358 HG LEU 94 HG LEU 94 -2.510 1.266 0.945 359 1HD1 LEU 94 1HD1 LEU 94 -0.297 2.146 0.857 360 2HD1 LEU 94 2HD1 LEU 94 -0.167 0.371 0.861 361 3HD1 LEU 94 3HD1 LEU 94 0.058 1.276 -0.655 362 1HD2 LEU 94 1HD2 LEU 94 -3.341 2.726 -0.515 363 2HD2 LEU 94 2HD2 LEU 94 -1.676 2.956 -1.098 364 3HD2 LEU 94 3HD2 LEU 94 -2.748 1.789 -1.907 365 H LYS 95 H LYS 95 -3.581 -3.087 -1.113 366 HA LYS 95 HA LYS 95 -4.937 -3.069 -3.676 367 1HB LYS 95 1HB LYS 95 -2.363 -4.537 -3.712 368 2HB LYS 95 2HB LYS 95 -3.197 -3.684 -4.995 369 1HG LYS 95 1HG LYS 95 -2.491 -1.508 -4.081 370 2HG LYS 95 2HG LYS 95 -1.788 -2.282 -2.675 371 1HD LYS 95 1HD LYS 95 0.163 -2.564 -3.792 372 2HD LYS 95 2HD LYS 95 -0.651 -3.564 -4.978 373 1HE LYS 95 1HE LYS 95 -0.728 -0.519 -5.110 374 2HE LYS 95 2HE LYS 95 0.554 -1.448 -5.861 375 1HZ LYS 95 1HZ LYS 95 -0.797 -1.806 -7.540 376 2HZ LYS 95 2HZ LYS 95 -1.853 -2.602 -6.583 377 3HZ LYS 95 3HZ LYS 95 -2.013 -0.994 -6.813 378 H GLU 96 H GLU 96 -5.813 -5.133 -4.234 379 HA GLU 96 HA GLU 96 -5.519 -7.096 -2.098 380 1HB GLU 96 1HB GLU 96 -8.085 -6.299 -3.541 381 2HB GLU 96 2HB GLU 96 -7.952 -7.666 -2.453 382 1HG GLU 96 1HG GLU 96 -7.157 -6.064 -0.640 383 2HG GLU 96 2HG GLU 96 -7.481 -4.735 -1.737 384 H GLY 97 H GLY 97 -4.962 -9.131 -2.795 385 1HA GLY 97 1HA GLY 97 -4.280 -10.717 -4.250 386 2HA GLY 97 2HA GLY 97 -5.884 -10.522 -4.929 387 H VAL 98 H VAL 98 -2.571 -9.042 -5.014 388 HA VAL 98 HA VAL 98 -3.032 -8.563 -7.877 389 HB VAL 98 HB VAL 98 -1.616 -6.584 -7.674 390 1HG1 VAL 98 1HG1 VAL 98 -4.150 -6.536 -7.379 391 2HG1 VAL 98 2HG1 VAL 98 -3.842 -6.373 -5.633 392 3HG1 VAL 98 3HG1 VAL 98 -3.250 -5.130 -6.761 393 1HG2 VAL 98 1HG2 VAL 98 -0.633 -7.647 -5.389 394 2HG2 VAL 98 2HG2 VAL 98 -0.521 -5.919 -5.799 395 3HG2 VAL 98 3HG2 VAL 98 -1.807 -6.494 -4.710 396 H SER 99 H SER 99 -0.832 -8.378 -9.076 397 HA SER 99 HA SER 99 0.478 -10.773 -8.753 398 1HB SER 99 1HB SER 99 2.130 -9.841 -10.378 399 2HB SER 99 2HB SER 99 0.473 -9.568 -10.877 400 HG SER 99 HG SER 99 0.616 -7.398 -10.348 401 H LYS 100 H LYS 100 2.504 -11.362 -7.817 402 HA LYS 100 HA LYS 100 3.160 -10.095 -5.449 403 1HB LYS 100 1HB LYS 100 3.621 -12.463 -6.011 404 2HB LYS 100 2HB LYS 100 4.864 -11.954 -7.135 405 1HG LYS 100 1HG LYS 100 5.057 -10.836 -4.357 406 2HG LYS 100 2HG LYS 100 5.367 -12.552 -4.521 407 1HD LYS 100 1HD LYS 100 7.040 -12.031 -6.350 408 2HD LYS 100 2HD LYS 100 6.777 -10.323 -6.064 409 1HE LYS 100 1HE LYS 100 7.678 -10.451 -3.825 410 2HE LYS 100 2HE LYS 100 7.613 -12.202 -3.817 411 1HZ LYS 100 1HZ LYS 100 9.771 -10.825 -4.436 412 2HZ LYS 100 2HZ LYS 100 9.492 -12.335 -4.990 413 3HZ LYS 100 3HZ LYS 100 9.166 -11.045 -5.937 414 H ASP 101 H ASP 101 4.561 -9.786 -8.756 415 HA ASP 101 HA ASP 101 6.798 -8.393 -8.069 416 1HB ASP 101 1HB ASP 101 4.998 -8.233 -10.524 417 2HB ASP 101 2HB ASP 101 6.512 -7.356 -10.432 418 H ASP 102 H ASP 102 3.405 -7.310 -8.661 419 HA ASP 102 HA ASP 102 3.996 -4.588 -8.731 420 1HB ASP 102 1HB ASP 102 1.498 -6.240 -8.269 421 2HB ASP 102 2HB ASP 102 1.428 -4.504 -8.035 422 H ALA 103 H ALA 103 3.145 -6.953 -6.165 423 HA ALA 103 HA ALA 103 2.574 -5.073 -4.149 424 1HB ALA 103 1HB ALA 103 1.812 -7.396 -4.066 425 2HB ALA 103 2HB ALA 103 3.494 -7.975 -4.035 426 3HB ALA 103 3HB ALA 103 2.845 -7.053 -2.658 427 H GLU 104 H GLU 104 5.561 -6.885 -5.099 428 HA GLU 104 HA GLU 104 7.017 -5.851 -2.925 429 1HB GLU 104 1HB GLU 104 7.573 -8.005 -4.006 430 2HB GLU 104 2HB GLU 104 7.948 -7.182 -5.507 431 1HG GLU 104 1HG GLU 104 9.862 -6.068 -4.544 432 2HG GLU 104 2HG GLU 104 9.380 -6.486 -2.911 433 H ALA 105 H ALA 105 6.256 -4.735 -6.183 434 HA ALA 105 HA ALA 105 8.498 -3.081 -6.558 435 1HB ALA 105 1HB ALA 105 7.207 -3.737 -8.455 436 2HB ALA 105 2HB ALA 105 5.692 -3.162 -7.714 437 3HB ALA 105 3HB ALA 105 6.920 -1.991 -8.255 438 H LEU 106 H LEU 106 5.130 -2.427 -5.373 439 HA LEU 106 HA LEU 106 5.702 0.301 -4.855 440 1HB LEU 106 1HB LEU 106 3.468 -0.785 -5.372 441 2HB LEU 106 2HB LEU 106 3.457 -1.359 -3.716 442 HG LEU 106 HG LEU 106 3.801 1.159 -3.098 443 1HD1 LEU 106 1HD1 LEU 106 4.194 1.792 -5.515 444 2HD1 LEU 106 2HD1 LEU 106 2.451 1.532 -5.777 445 3HD1 LEU 106 3HD1 LEU 106 3.004 2.777 -4.631 446 1HD2 LEU 106 1HD2 LEU 106 1.653 -0.522 -3.123 447 2HD2 LEU 106 2HD2 LEU 106 1.655 1.126 -2.452 448 3HD2 LEU 106 3HD2 LEU 106 1.053 0.835 -4.104 449 H LYS 107 H LYS 107 5.725 -2.733 -2.931 450 HA LYS 107 HA LYS 107 5.980 -1.619 -0.424 451 1HB LYS 107 1HB LYS 107 5.552 -3.985 -0.824 452 2HB LYS 107 2HB LYS 107 7.139 -4.189 -1.540 453 1HG LYS 107 1HG LYS 107 8.254 -3.717 0.565 454 2HG LYS 107 2HG LYS 107 6.767 -3.151 1.303 455 1HD LYS 107 1HD LYS 107 5.847 -5.347 1.441 456 2HD LYS 107 2HD LYS 107 6.946 -5.988 0.235 457 1HE LYS 107 1HE LYS 107 8.856 -5.764 1.784 458 2HE LYS 107 2HE LYS 107 7.842 -4.972 2.975 459 1HZ LYS 107 1HZ LYS 107 8.186 -7.379 3.318 460 2HZ LYS 107 2HZ LYS 107 6.613 -6.943 3.262 461 3HZ LYS 107 3HZ LYS 107 7.302 -7.679 1.978 462 H LYS 108 H LYS 108 8.550 -2.463 -2.837 463 HA LYS 108 HA LYS 108 10.708 -1.750 -1.268 464 1HB LYS 108 1HB LYS 108 10.198 -2.001 -4.210 465 2HB LYS 108 2HB LYS 108 11.689 -1.247 -3.684 466 1HG LYS 108 1HG LYS 108 12.234 -3.231 -2.292 467 2HG LYS 108 2HG LYS 108 10.710 -3.978 -2.725 468 1HD LYS 108 1HD LYS 108 11.376 -4.082 -5.097 469 2HD LYS 108 2HD LYS 108 12.847 -3.191 -4.760 470 1HE LYS 108 1HE LYS 108 13.542 -5.066 -3.180 471 2HE LYS 108 2HE LYS 108 12.133 -5.968 -3.703 472 1HZ LYS 108 1HZ LYS 108 14.459 -5.187 -5.286 473 2HZ LYS 108 2HZ LYS 108 13.814 -6.673 -5.082 474 3HZ LYS 108 3HZ LYS 108 13.052 -5.573 -6.019 475 H ALA 109 H ALA 109 8.560 0.245 -3.358 476 HA ALA 109 HA ALA 109 10.085 2.599 -3.104 477 1HB ALA 109 1HB ALA 109 8.122 1.841 -4.732 478 2HB ALA 109 2HB ALA 109 7.107 2.641 -3.509 479 3HB ALA 109 3HB ALA 109 8.383 3.558 -4.346 480 H LEU 110 H LEU 110 7.417 1.111 -1.206 481 HA LEU 110 HA LEU 110 6.909 3.382 0.365 482 1HB LEU 110 1HB LEU 110 6.391 0.443 0.832 483 2HB LEU 110 2HB LEU 110 5.790 1.724 1.866 484 HG LEU 110 HG LEU 110 5.161 1.876 -1.054 485 1HD1 LEU 110 1HD1 LEU 110 4.266 -0.163 -1.112 486 2HD1 LEU 110 2HD1 LEU 110 4.424 -0.377 0.649 487 3HD1 LEU 110 3HD1 LEU 110 3.010 0.473 -0.021 488 1HD2 LEU 110 1HD2 LEU 110 4.542 3.639 0.649 489 2HD2 LEU 110 2HD2 LEU 110 3.203 2.999 -0.334 490 3HD2 LEU 110 3HD2 LEU 110 3.415 2.450 1.347 491 H GLU 111 H GLU 111 9.114 0.557 0.727 492 HA GLU 111 HA GLU 111 9.899 1.211 3.316 493 1HB GLU 111 1HB GLU 111 11.215 -0.420 1.110 494 2HB GLU 111 2HB GLU 111 11.926 -0.266 2.705 495 1HG GLU 111 1HG GLU 111 9.550 -1.010 3.581 496 2HG GLU 111 2HG GLU 111 9.290 -1.562 1.938 497 H GLU 112 H GLU 112 11.219 2.042 0.060 498 HA GLU 112 HA GLU 112 13.521 3.261 0.892 499 1HB GLU 112 1HB GLU 112 11.699 3.630 -1.493 500 2HB GLU 112 2HB GLU 112 13.066 4.706 -1.285 501 1HG GLU 112 1HG GLU 112 13.338 1.669 -1.213 502 2HG GLU 112 2HG GLU 112 13.492 2.595 -2.692 503 H ALA 113 H ALA 113 10.148 4.430 0.887 504 HA ALA 113 HA ALA 113 10.925 7.140 1.447 505 1HB ALA 113 1HB ALA 113 8.349 5.602 1.130 506 2HB ALA 113 2HB ALA 113 8.331 7.226 1.856 507 3HB ALA 113 3HB ALA 113 8.951 6.997 0.205 508 H GLY 114 H GLY 114 9.986 4.191 3.209 509 1HA GLY 114 1HA GLY 114 10.723 3.872 5.423 510 2HA GLY 114 2HA GLY 114 10.621 5.597 5.714 511 H ALA 115 H ALA 115 8.375 3.014 4.460 512 HA ALA 115 HA ALA 115 6.486 3.857 6.544 513 1HB ALA 115 1HB ALA 115 5.711 3.068 3.715 514 2HB ALA 115 2HB ALA 115 4.671 3.763 4.982 515 3HB ALA 115 3HB ALA 115 5.939 4.758 4.225 516 H GLU 116 H GLU 116 4.946 2.121 7.161 517 HA GLU 116 HA GLU 116 6.284 -0.442 6.852 518 1HB GLU 116 1HB GLU 116 6.056 0.412 9.170 519 2HB GLU 116 2HB GLU 116 4.318 0.519 8.979 520 1HG GLU 116 1HG GLU 116 4.870 -1.558 10.157 521 2HG GLU 116 2HG GLU 116 4.210 -1.951 8.582 522 H VAL 117 H VAL 117 5.350 -1.950 5.543 523 HA VAL 117 HA VAL 117 2.443 -1.738 5.160 524 HB VAL 117 HB VAL 117 4.698 -2.040 3.249 525 1HG1 VAL 117 1HG1 VAL 117 3.600 -4.207 3.005 526 2HG1 VAL 117 2HG1 VAL 117 2.018 -3.408 2.837 527 3HG1 VAL 117 3HG1 VAL 117 3.266 -3.180 1.589 528 1HG2 VAL 117 1HG2 VAL 117 3.736 0.006 2.933 529 2HG2 VAL 117 2HG2 VAL 117 2.696 -0.942 1.843 530 3HG2 VAL 117 3HG2 VAL 117 2.132 -0.536 3.483 531 H GLU 118 H GLU 118 1.308 -3.786 4.867 532 HA GLU 118 HA GLU 118 2.864 -6.009 5.944 533 1HB GLU 118 1HB GLU 118 1.248 -5.282 7.610 534 2HB GLU 118 2HB GLU 118 -0.047 -5.257 6.429 535 1HG GLU 118 1HG GLU 118 0.093 -7.705 6.151 536 2HG GLU 118 2HG GLU 118 1.492 -7.779 7.201 537 H VAL 119 H VAL 119 2.843 -7.927 4.784 538 HA VAL 119 HA VAL 119 1.153 -7.925 2.389 539 HB VAL 119 HB VAL 119 3.692 -9.440 3.028 540 1HG1 VAL 119 1HG1 VAL 119 3.664 -10.075 0.645 541 2HG1 VAL 119 2HG1 VAL 119 2.244 -10.701 1.515 542 3HG1 VAL 119 3HG1 VAL 119 2.085 -9.279 0.456 543 1HG2 VAL 119 1HG2 VAL 119 4.198 -7.102 2.748 544 2HG2 VAL 119 2HG2 VAL 119 4.687 -7.960 1.267 545 3HG2 VAL 119 3HG2 VAL 119 3.185 -7.005 1.288 546 H LYS 120 H LYS 120 -0.492 -9.373 2.221 547 HA LYS 120 HA LYS 120 -0.381 -11.774 3.851 548 1HB LYS 120 1HB LYS 120 -1.632 -9.627 4.934 549 2HB LYS 120 2HB LYS 120 -2.958 -10.304 4.011 550 1HG LYS 120 1HG LYS 120 -3.209 -12.017 5.481 551 2HG LYS 120 2HG LYS 120 -1.515 -12.450 5.357 552 1HD LYS 120 1HD LYS 120 -0.951 -10.615 6.989 553 2HD LYS 120 2HD LYS 120 -2.657 -10.247 7.141 554 1HE LYS 120 1HE LYS 120 -1.817 -13.106 7.584 555 2HE LYS 120 2HE LYS 120 -1.397 -11.944 8.827 556 1HZ LYS 120 1HZ LYS 120 -4.116 -12.090 7.758 557 2HZ LYS 120 2HZ LYS 120 -3.632 -13.063 8.978 558 3HZ LYS 120 3HZ LYS 120 -3.616 -11.442 9.171 Start of MODEL 20 1 1H ALA 47 H ALA 47 1.403 -28.313 4.320 2 HA ALA 47 HA ALA 47 2.020 -29.239 1.990 3 1HB ALA 47 1HB ALA 47 -0.516 -27.724 2.723 4 2HB ALA 47 2HB ALA 47 -0.369 -28.803 1.313 5 3HB ALA 47 3HB ALA 47 -0.187 -29.458 2.958 6 H ALA 48 H ALA 48 1.427 -28.488 -0.322 7 HA ALA 48 HA ALA 48 2.844 -26.010 -0.758 8 1HB ALA 48 1HB ALA 48 3.420 -27.936 -2.118 9 2HB ALA 48 2HB ALA 48 1.723 -28.153 -2.606 10 3HB ALA 48 3HB ALA 48 2.632 -26.729 -3.159 11 H GLU 49 H GLU 49 1.231 -24.578 0.245 12 HA GLU 49 HA GLU 49 -1.355 -24.508 -0.929 13 1HB GLU 49 1HB GLU 49 0.060 -22.607 0.990 14 2HB GLU 49 2HB GLU 49 -1.623 -22.458 0.526 15 1HG GLU 49 1HG GLU 49 -0.438 -24.959 1.816 16 2HG GLU 49 2HG GLU 49 -1.244 -23.690 2.717 17 H GLU 50 H GLU 50 -2.227 -22.878 -2.323 18 HA GLU 50 HA GLU 50 -0.175 -21.630 -3.920 19 1HB GLU 50 1HB GLU 50 -3.005 -22.478 -4.324 20 2HB GLU 50 2HB GLU 50 -2.538 -21.023 -5.180 21 1HG GLU 50 1HG GLU 50 -2.105 -22.986 -6.596 22 2HG GLU 50 2HG GLU 50 -0.587 -22.220 -6.174 23 H LYS 51 H LYS 51 -0.364 -19.327 -4.583 24 HA LYS 51 HA LYS 51 -2.163 -17.625 -3.204 25 1HB LYS 51 1HB LYS 51 -0.396 -16.403 -1.899 26 2HB LYS 51 2HB LYS 51 -0.841 -17.975 -1.268 27 1HG LYS 51 1HG LYS 51 1.278 -18.429 -3.144 28 2HG LYS 51 2HG LYS 51 1.762 -17.051 -2.174 29 1HD LYS 51 1HD LYS 51 1.380 -18.327 -0.092 30 2HD LYS 51 2HD LYS 51 0.754 -19.686 -1.003 31 1HE LYS 51 1HE LYS 51 3.571 -18.595 -1.424 32 2HE LYS 51 2HE LYS 51 3.215 -19.853 -0.257 33 1HZ LYS 51 1HZ LYS 51 2.150 -21.042 -2.185 34 2HZ LYS 51 2HZ LYS 51 2.892 -19.965 -3.163 35 3HZ LYS 51 3HZ LYS 51 3.780 -20.945 -2.205 36 H THR 52 H THR 52 -2.427 -17.340 -5.584 37 HA THR 52 HA THR 52 -0.232 -15.833 -6.803 38 HB THR 52 HB THR 52 -1.752 -16.213 -8.870 39 HG1 THR 52 1HG THR 52 -3.241 -18.126 -8.240 40 1HG2 THR 52 1HG2 THR 52 0.196 -17.769 -8.256 41 2HG2 THR 52 2HG2 THR 52 -0.984 -18.772 -7.379 42 3HG2 THR 52 3HG2 THR 52 -1.132 -18.557 -9.140 43 H GLU 53 H GLU 53 -2.286 -14.946 -4.617 44 HA GLU 53 HA GLU 53 -2.764 -12.427 -5.939 45 1HB GLU 53 1HB GLU 53 -4.901 -14.309 -5.039 46 2HB GLU 53 2HB GLU 53 -5.134 -12.631 -4.591 47 1HG GLU 53 1HG GLU 53 -4.776 -11.967 -6.997 48 2HG GLU 53 2HG GLU 53 -4.621 -13.661 -7.423 49 H PHE 54 H PHE 54 -1.623 -11.062 -4.626 50 HA PHE 54 HA PHE 54 -1.711 -11.607 -1.751 51 1HB PHE 54 1HB PHE 54 0.130 -9.992 -3.614 52 2HB PHE 54 2HB PHE 54 0.323 -9.997 -1.872 53 HD1 PHE 54 1HD PHE 54 1.450 -11.767 -0.775 54 HD2 PHE 54 2HD PHE 54 0.442 -12.142 -4.880 55 HE1 PHE 54 1HE PHE 54 2.894 -13.812 -0.941 56 HE2 PHE 54 2HE PHE 54 1.887 -14.189 -5.047 57 HZ PHE 54 HZ PHE 54 3.095 -15.000 -3.075 58 H ASP 55 H ASP 55 -2.092 -9.872 -0.248 59 HA ASP 55 HA ASP 55 -3.536 -7.678 -1.506 60 1HB ASP 55 1HB ASP 55 -3.726 -8.983 1.238 61 2HB ASP 55 2HB ASP 55 -4.455 -7.421 0.922 62 H VAL 56 H VAL 56 -2.576 -5.640 -1.322 63 HA VAL 56 HA VAL 56 -0.273 -5.417 0.447 64 HB VAL 56 HB VAL 56 -1.310 -3.607 -1.745 65 1HG1 VAL 56 1HG1 VAL 56 0.896 -2.531 -1.622 66 2HG1 VAL 56 2HG1 VAL 56 0.030 -2.404 -0.073 67 3HG1 VAL 56 3HG1 VAL 56 1.343 -3.589 -0.263 68 1HG2 VAL 56 1HG2 VAL 56 -0.597 -5.824 -2.575 69 2HG2 VAL 56 2HG2 VAL 56 0.479 -4.519 -3.128 70 3HG2 VAL 56 3HG2 VAL 56 0.990 -5.592 -1.803 71 H ILE 57 H ILE 57 -0.702 -4.772 2.494 72 HA ILE 57 HA ILE 57 -2.888 -2.845 2.836 73 HB ILE 57 HB ILE 57 -1.780 -5.029 4.568 74 1HG1 ILE 57 1HG1 ILE 57 -4.680 -4.375 4.143 75 2HG1 ILE 57 2HG1 ILE 57 -3.785 -5.172 2.863 76 1HG2 ILE 57 1HG2 ILE 57 -1.780 -3.113 6.026 77 2HG2 ILE 57 2HG2 ILE 57 -3.413 -2.651 5.491 78 3HG2 ILE 57 3HG2 ILE 57 -3.174 -4.146 6.428 79 1HD1 ILE 57 1HD1 ILE 57 -4.880 -6.820 4.369 80 2HD1 ILE 57 2HD1 ILE 57 -3.108 -6.981 4.419 81 3HD1 ILE 57 3HD1 ILE 57 -3.966 -6.162 5.747 82 H LEU 58 H LEU 58 -2.548 -0.969 4.122 83 HA LEU 58 HA LEU 58 0.295 -0.369 4.531 84 1HB LEU 58 1HB LEU 58 -0.522 1.149 2.978 85 2HB LEU 58 2HB LEU 58 -2.074 1.303 3.777 86 HG LEU 58 HG LEU 58 -0.888 2.478 5.674 87 1HD1 LEU 58 1HD1 LEU 58 1.384 3.304 4.054 88 2HD1 LEU 58 2HD1 LEU 58 1.321 2.740 5.741 89 3HD1 LEU 58 3HD1 LEU 58 1.413 1.562 4.411 90 1HD2 LEU 58 1HD2 LEU 58 -2.182 3.693 4.005 91 2HD2 LEU 58 2HD2 LEU 58 -0.744 4.622 4.494 92 3HD2 LEU 58 3HD2 LEU 58 -0.763 3.766 2.933 93 H LYS 59 H LYS 59 1.020 -0.294 6.587 94 HA LYS 59 HA LYS 59 -1.005 -0.381 8.681 95 1HB LYS 59 1HB LYS 59 1.841 -1.290 8.429 96 2HB LYS 59 2HB LYS 59 1.211 -0.923 10.023 97 1HG LYS 59 1HG LYS 59 -0.738 -2.470 9.568 98 2HG LYS 59 2HG LYS 59 -0.014 -2.886 8.028 99 1HD LYS 59 1HD LYS 59 1.985 -3.792 9.153 100 2HD LYS 59 2HD LYS 59 1.393 -3.255 10.714 101 1HE LYS 59 1HE LYS 59 -0.261 -5.143 8.995 102 2HE LYS 59 2HE LYS 59 1.018 -5.760 10.020 103 1HZ LYS 59 1HZ LYS 59 -0.197 -5.394 11.823 104 2HZ LYS 59 2HZ LYS 59 -0.705 -3.916 11.345 105 3HZ LYS 59 3HZ LYS 59 -1.481 -5.254 10.822 106 H ALA 60 H ALA 60 2.135 1.285 7.926 107 HA ALA 60 HA ALA 60 1.053 3.661 9.221 108 1HB ALA 60 1HB ALA 60 3.631 2.241 9.992 109 2HB ALA 60 2HB ALA 60 3.240 3.913 10.461 110 3HB ALA 60 3HB ALA 60 2.222 2.567 11.029 111 H ALA 61 H ALA 61 1.345 5.360 7.871 112 HA ALA 61 HA ALA 61 2.829 5.104 5.503 113 1HB ALA 61 1HB ALA 61 1.700 7.523 6.968 114 2HB ALA 61 2HB ALA 61 2.337 7.553 5.306 115 3HB ALA 61 3HB ALA 61 0.900 6.576 5.690 116 H GLY 62 H GLY 62 3.678 5.950 8.801 117 1HA GLY 62 1HA GLY 62 5.725 6.280 9.708 118 2HA GLY 62 2HA GLY 62 6.456 6.092 8.127 119 H ALA 63 H ALA 63 7.890 7.905 8.591 120 HA ALA 63 HA ALA 63 6.604 10.474 9.023 121 1HB ALA 63 1HB ALA 63 8.886 11.250 9.441 122 2HB ALA 63 2HB ALA 63 8.578 9.762 10.368 123 3HB ALA 63 3HB ALA 63 9.545 9.696 8.875 124 H ASN 64 H ASN 64 5.975 9.229 6.528 125 HA ASN 64 HA ASN 64 7.025 11.275 4.822 126 1HB ASN 64 1HB ASN 64 8.485 9.044 4.702 127 2HB ASN 64 2HB ASN 64 7.136 8.424 3.769 128 1HD2 ASN 64 1HD2 ASN 64 9.928 9.064 3.049 129 2HD2 ASN 64 2HD2 ASN 64 9.850 10.125 1.681 130 H LYS 65 H LYS 65 4.486 11.282 5.718 131 HA LYS 65 HA LYS 65 2.673 9.551 4.494 132 1HB LYS 65 1HB LYS 65 2.551 11.462 6.432 133 2HB LYS 65 2HB LYS 65 1.766 12.303 5.111 134 1HG LYS 65 1HG LYS 65 0.134 10.513 4.831 135 2HG LYS 65 2HG LYS 65 1.011 9.464 5.927 136 1HD LYS 65 1HD LYS 65 -0.463 10.252 7.494 137 2HD LYS 65 2HD LYS 65 0.622 11.626 7.568 138 1HE LYS 65 1HE LYS 65 -0.766 12.743 5.751 139 2HE LYS 65 2HE LYS 65 -1.893 11.406 5.846 140 1HZ LYS 65 1HZ LYS 65 -2.606 13.188 7.235 141 2HZ LYS 65 2HZ LYS 65 -2.187 11.932 8.192 142 3HZ LYS 65 3HZ LYS 65 -1.191 13.218 8.049 143 H VAL 66 H VAL 66 4.513 12.288 3.291 144 HA VAL 66 HA VAL 66 2.772 13.046 1.222 145 HB VAL 66 HB VAL 66 5.749 13.309 1.646 146 1HG1 VAL 66 1HG1 VAL 66 5.643 13.515 -0.667 147 2HG1 VAL 66 2HG1 VAL 66 4.016 14.238 -0.634 148 3HG1 VAL 66 3HG1 VAL 66 5.426 15.199 -0.128 149 1HG2 VAL 66 1HG2 VAL 66 5.193 15.647 2.176 150 2HG2 VAL 66 2HG2 VAL 66 3.467 15.297 1.919 151 3HG2 VAL 66 3HG2 VAL 66 4.346 14.514 3.254 152 H ALA 67 H ALA 67 5.793 11.019 1.144 153 HA ALA 67 HA ALA 67 5.545 10.287 -1.512 154 1HB ALA 67 1HB ALA 67 7.113 8.468 -0.887 155 2HB ALA 67 2HB ALA 67 7.589 10.028 -0.173 156 3HB ALA 67 3HB ALA 67 6.791 8.796 0.834 157 H VAL 68 H VAL 68 4.264 8.750 1.497 158 HA VAL 68 HA VAL 68 3.311 6.429 0.339 159 HB VAL 68 HB VAL 68 2.381 8.072 2.694 160 1HG1 VAL 68 1HG1 VAL 68 1.446 5.344 1.763 161 2HG1 VAL 68 2HG1 VAL 68 1.241 5.931 3.429 162 3HG1 VAL 68 3HG1 VAL 68 0.465 6.794 2.080 163 1HG2 VAL 68 1HG2 VAL 68 3.542 5.474 3.266 164 2HG2 VAL 68 2HG2 VAL 68 4.647 6.465 2.282 165 3HG2 VAL 68 3HG2 VAL 68 4.034 7.089 3.831 166 H ILE 69 H ILE 69 1.467 9.488 1.048 167 HA ILE 69 HA ILE 69 -0.907 8.706 -0.040 168 HB ILE 69 HB ILE 69 0.448 11.351 0.310 169 1HG1 ILE 69 1HG1 ILE 69 -2.131 10.318 1.502 170 2HG1 ILE 69 2HG1 ILE 69 -0.566 9.952 2.199 171 1HG2 ILE 69 1HG2 ILE 69 -0.797 11.727 -1.697 172 2HG2 ILE 69 2HG2 ILE 69 -2.227 10.896 -1.034 173 3HG2 ILE 69 3HG2 ILE 69 -1.701 12.450 -0.345 174 1HD1 ILE 69 1HD1 ILE 69 -1.349 11.911 3.344 175 2HD1 ILE 69 2HD1 ILE 69 -0.111 12.488 2.204 176 3HD1 ILE 69 3HD1 ILE 69 -1.838 12.694 1.822 177 H LYS 70 H LYS 70 2.056 9.864 -1.677 178 HA LYS 70 HA LYS 70 0.858 10.228 -4.196 179 1HB LYS 70 1HB LYS 70 3.671 9.933 -3.179 180 2HB LYS 70 2HB LYS 70 3.364 9.901 -4.903 181 1HG LYS 70 1HG LYS 70 2.195 12.093 -4.759 182 2HG LYS 70 2HG LYS 70 2.428 12.120 -3.023 183 1HD LYS 70 1HD LYS 70 4.762 12.464 -3.200 184 2HD LYS 70 2HD LYS 70 4.845 11.795 -4.816 185 1HE LYS 70 1HE LYS 70 5.100 14.213 -4.988 186 2HE LYS 70 2HE LYS 70 3.546 13.783 -5.676 187 1HZ LYS 70 1HZ LYS 70 3.486 15.667 -4.124 188 2HZ LYS 70 2HZ LYS 70 2.481 14.455 -3.687 189 3HZ LYS 70 3HZ LYS 70 3.894 14.669 -2.897 190 H ALA 71 H ALA 71 2.737 7.479 -2.751 191 HA ALA 71 HA ALA 71 2.618 5.815 -4.950 192 1HB ALA 71 1HB ALA 71 2.842 3.999 -3.145 193 2HB ALA 71 2HB ALA 71 4.077 5.281 -3.149 194 3HB ALA 71 3HB ALA 71 2.754 5.322 -1.957 195 H VAL 72 H VAL 72 0.268 6.314 -2.253 196 HA VAL 72 HA VAL 72 -1.456 4.244 -2.956 197 HB VAL 72 HB VAL 72 -1.939 6.889 -1.572 198 1HG1 VAL 72 1HG1 VAL 72 -4.005 5.738 -2.541 199 2HG1 VAL 72 2HG1 VAL 72 -3.692 4.428 -1.376 200 3HG1 VAL 72 3HG1 VAL 72 -4.022 6.078 -0.795 201 1HG2 VAL 72 1HG2 VAL 72 -0.564 5.885 -0.075 202 2HG2 VAL 72 2HG2 VAL 72 -2.042 5.001 0.370 203 3HG2 VAL 72 3HG2 VAL 72 -0.858 4.257 -0.729 204 H ARG 73 H ARG 73 -2.045 7.794 -3.494 205 HA ARG 73 HA ARG 73 -4.132 7.507 -5.145 206 1HB ARG 73 1HB ARG 73 -3.146 9.669 -4.229 207 2HB ARG 73 2HB ARG 73 -1.928 9.600 -5.488 208 1HG ARG 73 1HG ARG 73 -4.796 9.358 -6.361 209 2HG ARG 73 2HG ARG 73 -4.275 10.931 -5.791 210 1HD ARG 73 1HD ARG 73 -2.200 9.953 -7.523 211 2HD ARG 73 2HD ARG 73 -3.722 9.660 -8.342 212 HE ARG 73 HE ARG 73 -2.514 12.251 -7.823 213 1HH1 ARG 73 2HH2 ARG 73 -5.618 10.628 -8.163 214 2HH1 ARG 73 1HH2 ARG 73 -6.443 12.047 -8.715 215 1HH2 ARG 73 2HH1 ARG 73 -3.603 14.125 -8.547 216 2HH2 ARG 73 1HH1 ARG 73 -5.293 14.052 -8.921 217 H GLY 74 H GLY 74 -0.675 7.057 -5.865 218 1HA GLY 74 1HA GLY 74 -0.889 7.231 -8.703 219 2HA GLY 74 2HA GLY 74 0.453 6.601 -7.767 220 H ALA 75 H ALA 75 -1.230 4.633 -6.256 221 HA ALA 75 HA ALA 75 -1.077 2.586 -8.290 222 1HB ALA 75 1HB ALA 75 -1.649 2.441 -5.302 223 2HB ALA 75 2HB ALA 75 -1.294 1.064 -6.370 224 3HB ALA 75 3HB ALA 75 -0.043 2.291 -6.055 225 H THR 76 H THR 76 -3.453 4.620 -6.741 226 HA THR 76 HA THR 76 -5.584 2.860 -7.767 227 HB THR 76 HB THR 76 -6.944 3.705 -5.864 228 HG1 THR 76 1HG THR 76 -4.429 4.941 -5.037 229 1HG2 THR 76 1HG2 THR 76 -5.345 1.750 -5.418 230 2HG2 THR 76 2HG2 THR 76 -4.170 2.943 -4.814 231 3HG2 THR 76 3HG2 THR 76 -5.728 2.729 -3.981 232 H GLY 77 H GLY 77 -5.402 6.288 -6.623 233 1HA GLY 77 1HA GLY 77 -5.398 8.042 -8.322 234 2HA GLY 77 2HA GLY 77 -6.503 7.059 -9.260 235 H LEU 78 H LEU 78 -6.876 6.999 -5.760 236 HA LEU 78 HA LEU 78 -9.494 8.060 -5.951 237 1HB LEU 78 1HB LEU 78 -7.724 7.340 -3.615 238 2HB LEU 78 2HB LEU 78 -9.374 7.906 -3.441 239 HG LEU 78 HG LEU 78 -8.606 5.437 -5.020 240 1HD1 LEU 78 1HD1 LEU 78 -9.617 5.608 -2.168 241 2HD1 LEU 78 2HD1 LEU 78 -9.347 4.119 -3.105 242 3HD1 LEU 78 3HD1 LEU 78 -7.970 5.161 -2.671 243 1HD2 LEU 78 1HD2 LEU 78 -11.219 6.700 -4.231 244 2HD2 LEU 78 2HD2 LEU 78 -10.685 6.086 -5.814 245 3HD2 LEU 78 3HD2 LEU 78 -11.101 4.945 -4.513 246 H GLY 79 H GLY 79 -10.320 10.014 -4.924 247 1HA GLY 79 1HA GLY 79 -8.967 12.328 -5.588 248 2HA GLY 79 2HA GLY 79 -10.287 12.208 -4.443 249 H LEU 80 H LEU 80 -7.711 13.846 -4.444 250 HA LEU 80 HA LEU 80 -5.795 13.012 -2.758 251 1HB LEU 80 1HB LEU 80 -6.280 15.294 -3.932 252 2HB LEU 80 2HB LEU 80 -6.990 15.736 -2.393 253 HG LEU 80 HG LEU 80 -4.221 14.589 -2.418 254 1HD1 LEU 80 1HD1 LEU 80 -3.370 16.974 -2.656 255 2HD1 LEU 80 2HD1 LEU 80 -3.938 16.172 -4.140 256 3HD1 LEU 80 3HD1 LEU 80 -4.972 17.369 -3.325 257 1HD2 LEU 80 1HD2 LEU 80 -5.538 15.097 -0.316 258 2HD2 LEU 80 2HD2 LEU 80 -3.925 15.843 -0.432 259 3HD2 LEU 80 3HD2 LEU 80 -5.382 16.819 -0.739 260 H LYS 81 H LYS 81 -9.059 14.255 -1.814 261 HA LYS 81 HA LYS 81 -8.622 14.148 0.931 262 1HB LYS 81 1HB LYS 81 -10.457 15.382 -0.105 263 2HB LYS 81 2HB LYS 81 -11.187 13.893 -0.668 264 1HG LYS 81 1HG LYS 81 -11.081 13.203 1.902 265 2HG LYS 81 2HG LYS 81 -10.952 14.931 2.166 266 1HD LYS 81 1HD LYS 81 -13.283 14.587 2.237 267 2HD LYS 81 2HD LYS 81 -13.036 15.124 0.587 268 1HE LYS 81 1HE LYS 81 -14.396 13.219 0.296 269 2HE LYS 81 2HE LYS 81 -12.791 12.578 0.008 270 1HZ LYS 81 1HZ LYS 81 -13.981 11.192 1.519 271 2HZ LYS 81 2HZ LYS 81 -12.743 11.885 2.327 272 3HZ LYS 81 3HZ LYS 81 -14.268 12.429 2.544 273 H GLU 82 H GLU 82 -10.482 11.775 -1.109 274 HA GLU 82 HA GLU 82 -10.924 9.919 0.738 275 1HB GLU 82 1HB GLU 82 -10.185 9.597 -2.191 276 2HB GLU 82 2HB GLU 82 -10.663 8.223 -1.213 277 1HG GLU 82 1HG GLU 82 -12.358 10.748 -1.460 278 2HG GLU 82 2HG GLU 82 -12.550 9.367 -2.522 279 H ALA 83 H ALA 83 -7.851 10.381 -1.100 280 HA ALA 83 HA ALA 83 -6.601 8.060 -0.153 281 1HB ALA 83 1HB ALA 83 -4.558 9.137 -1.010 282 2HB ALA 83 2HB ALA 83 -5.907 9.342 -2.154 283 3HB ALA 83 3HB ALA 83 -5.412 10.696 -1.110 284 H LYS 84 H LYS 84 -6.628 11.488 1.005 285 HA LYS 84 HA LYS 84 -4.768 11.177 3.028 286 1HB LYS 84 1HB LYS 84 -5.432 13.356 2.334 287 2HB LYS 84 2HB LYS 84 -7.120 13.043 2.681 288 1HG LYS 84 1HG LYS 84 -6.663 12.905 5.093 289 2HG LYS 84 2HG LYS 84 -4.936 13.018 4.814 290 1HD LYS 84 1HD LYS 84 -5.025 15.301 4.261 291 2HD LYS 84 2HD LYS 84 -6.692 15.220 3.729 292 1HE LYS 84 1HE LYS 84 -6.688 16.407 5.837 293 2HE LYS 84 2HE LYS 84 -7.381 14.829 6.149 294 1HZ LYS 84 1HZ LYS 84 -4.628 15.674 6.710 295 2HZ LYS 84 2HZ LYS 84 -5.779 15.274 7.796 296 3HZ LYS 84 3HZ LYS 84 -5.131 14.126 6.835 297 H ASP 85 H ASP 85 -8.386 10.880 3.169 298 HA ASP 85 HA ASP 85 -8.531 10.323 5.829 299 1HB ASP 85 1HB ASP 85 -10.220 9.365 3.480 300 2HB ASP 85 2HB ASP 85 -10.669 9.031 5.140 301 H LEU 86 H LEU 86 -8.183 8.108 2.971 302 HA LEU 86 HA LEU 86 -8.404 5.692 4.214 303 1HB LEU 86 1HB LEU 86 -8.268 6.019 1.811 304 2HB LEU 86 2HB LEU 86 -6.589 6.508 1.941 305 HG LEU 86 HG LEU 86 -6.382 4.087 3.081 306 1HD1 LEU 86 1HD1 LEU 86 -8.801 3.628 2.865 307 2HD1 LEU 86 2HD1 LEU 86 -8.641 3.724 1.094 308 3HD1 LEU 86 3HD1 LEU 86 -7.790 2.447 1.997 309 1HD2 LEU 86 1HD2 LEU 86 -4.999 4.776 1.263 310 2HD2 LEU 86 2HD2 LEU 86 -5.745 3.225 0.811 311 3HD2 LEU 86 3HD2 LEU 86 -6.368 4.743 0.126 312 H VAL 87 H VAL 87 -5.313 7.530 3.658 313 HA VAL 87 HA VAL 87 -3.739 5.713 5.062 314 HB VAL 87 HB VAL 87 -3.420 8.634 4.373 315 1HG1 VAL 87 1HG1 VAL 87 -1.993 8.371 6.244 316 2HG1 VAL 87 2HG1 VAL 87 -1.476 6.748 5.725 317 3HG1 VAL 87 3HG1 VAL 87 -0.945 8.186 4.817 318 1HG2 VAL 87 1HG2 VAL 87 -1.889 6.321 3.193 319 2HG2 VAL 87 2HG2 VAL 87 -3.520 6.727 2.605 320 3HG2 VAL 87 3HG2 VAL 87 -2.213 7.931 2.506 321 H GLU 88 H GLU 88 -5.665 8.552 6.100 322 HA GLU 88 HA GLU 88 -4.418 8.705 8.615 323 1HB GLU 88 1HB GLU 88 -7.016 9.861 7.521 324 2HB GLU 88 2HB GLU 88 -6.430 10.212 9.134 325 1HG GLU 88 1HG GLU 88 -4.331 10.555 7.085 326 2HG GLU 88 2HG GLU 88 -5.723 11.576 6.786 327 H SER 89 H SER 89 -6.712 6.539 7.250 328 HA SER 89 HA SER 89 -7.834 5.979 9.876 329 1HB SER 89 1HB SER 89 -9.683 4.913 8.734 330 2HB SER 89 2HB SER 89 -9.419 6.474 7.981 331 HG SER 89 HG SER 89 -9.452 5.259 6.191 332 H ALA 90 H ALA 90 -5.103 5.192 8.665 333 HA ALA 90 HA ALA 90 -5.001 2.567 7.911 334 1HB ALA 90 1HB ALA 90 -2.998 3.774 7.809 335 2HB ALA 90 2HB ALA 90 -3.169 4.394 9.470 336 3HB ALA 90 3HB ALA 90 -2.719 2.693 9.196 337 HA PRO 91 HA PRO 91 -3.714 0.969 8.315 338 1HB PRO 91 1HB PRO 91 -4.249 -1.710 8.240 339 2HB PRO 91 2HB PRO 91 -2.911 -1.024 9.141 340 1HG PRO 91 1HG PRO 91 -5.481 -2.077 10.154 341 2HG PRO 91 2HG PRO 91 -3.990 -1.789 11.030 342 1HD PRO 91 1HD PRO 91 -6.349 -0.157 11.073 343 2HD PRO 91 2HD PRO 91 -4.820 0.190 11.856 344 H ALA 92 H ALA 92 -4.082 0.294 6.096 345 HA ALA 92 HA ALA 92 -6.939 0.123 5.512 346 1HB ALA 92 1HB ALA 92 -5.022 2.309 4.700 347 2HB ALA 92 2HB ALA 92 -6.357 1.849 3.615 348 3HB ALA 92 3HB ALA 92 -6.709 2.434 5.259 349 H ALA 93 H ALA 93 -7.332 -0.614 3.243 350 HA ALA 93 HA ALA 93 -5.173 -2.388 2.411 351 1HB ALA 93 1HB ALA 93 -6.926 -3.496 1.108 352 2HB ALA 93 2HB ALA 93 -7.467 -3.283 2.790 353 3HB ALA 93 3HB ALA 93 -8.077 -2.201 1.514 354 H LEU 94 H LEU 94 -3.769 -1.685 0.889 355 HA LEU 94 HA LEU 94 -4.461 0.597 -0.715 356 1HB LEU 94 1HB LEU 94 -1.993 -1.137 -0.566 357 2HB LEU 94 2HB LEU 94 -2.152 0.269 -1.602 358 HG LEU 94 HG LEU 94 -2.225 0.244 1.428 359 1HD1 LEU 94 1HD1 LEU 94 -0.178 1.820 0.919 360 2HD1 LEU 94 2HD1 LEU 94 0.008 0.051 0.947 361 3HD1 LEU 94 3HD1 LEU 94 -0.134 0.906 -0.606 362 1HD2 LEU 94 1HD2 LEU 94 -2.218 2.754 1.178 363 2HD2 LEU 94 2HD2 LEU 94 -2.654 2.508 -0.530 364 3HD2 LEU 94 3HD2 LEU 94 -3.744 1.939 0.757 365 H LYS 95 H LYS 95 -3.706 -2.908 -1.256 366 HA LYS 95 HA LYS 95 -5.393 -2.778 -3.622 367 1HB LYS 95 1HB LYS 95 -2.713 -4.115 -3.873 368 2HB LYS 95 2HB LYS 95 -3.806 -3.571 -5.130 369 1HG LYS 95 1HG LYS 95 -3.372 -1.176 -4.375 370 2HG LYS 95 2HG LYS 95 -2.163 -1.793 -3.268 371 1HD LYS 95 1HD LYS 95 -1.472 -3.015 -5.695 372 2HD LYS 95 2HD LYS 95 -2.012 -1.426 -6.198 373 1HE LYS 95 1HE LYS 95 -0.459 -0.377 -4.527 374 2HE LYS 95 2HE LYS 95 0.089 -1.970 -4.044 375 1HZ LYS 95 1HZ LYS 95 0.473 -0.644 -6.619 376 2HZ LYS 95 2HZ LYS 95 1.602 -1.270 -5.619 377 3HZ LYS 95 3HZ LYS 95 0.633 -2.264 -6.480 378 H GLU 96 H GLU 96 -6.114 -4.942 -4.323 379 HA GLU 96 HA GLU 96 -5.706 -6.932 -2.239 380 1HB GLU 96 1HB GLU 96 -8.381 -6.142 -3.475 381 2HB GLU 96 2HB GLU 96 -8.146 -7.535 -2.437 382 1HG GLU 96 1HG GLU 96 -7.255 -5.966 -0.641 383 2HG GLU 96 2HG GLU 96 -7.681 -4.615 -1.673 384 H GLY 97 H GLY 97 -5.069 -8.881 -3.070 385 1HA GLY 97 1HA GLY 97 -4.662 -10.523 -4.546 386 2HA GLY 97 2HA GLY 97 -6.197 -10.121 -5.290 387 H VAL 98 H VAL 98 -2.894 -8.605 -5.019 388 HA VAL 98 HA VAL 98 -3.051 -8.141 -7.918 389 HB VAL 98 HB VAL 98 -1.462 -6.264 -7.454 390 1HG1 VAL 98 1HG1 VAL 98 -4.091 -5.926 -5.987 391 2HG1 VAL 98 2HG1 VAL 98 -3.170 -4.704 -6.898 392 3HG1 VAL 98 3HG1 VAL 98 -3.973 -6.039 -7.759 393 1HG2 VAL 98 1HG2 VAL 98 -2.318 -6.533 -4.561 394 2HG2 VAL 98 2HG2 VAL 98 -0.783 -7.193 -5.178 395 3HG2 VAL 98 3HG2 VAL 98 -1.095 -5.442 -5.259 396 H SER 99 H SER 99 -0.814 -8.092 -8.979 397 HA SER 99 HA SER 99 0.365 -10.539 -8.556 398 1HB SER 99 1HB SER 99 2.114 -9.731 -10.133 399 2HB SER 99 2HB SER 99 0.498 -9.361 -10.698 400 HG SER 99 HG SER 99 0.768 -7.202 -10.234 401 H LYS 100 H LYS 100 2.333 -11.197 -7.539 402 HA LYS 100 HA LYS 100 2.962 -9.840 -5.183 403 1HB LYS 100 1HB LYS 100 3.212 -12.316 -5.733 404 2HB LYS 100 2HB LYS 100 4.690 -11.897 -6.576 405 1HG LYS 100 1HG LYS 100 5.422 -10.700 -4.395 406 2HG LYS 100 2HG LYS 100 4.069 -11.499 -3.619 407 1HD LYS 100 1HD LYS 100 5.882 -12.979 -3.235 408 2HD LYS 100 2HD LYS 100 5.028 -13.716 -4.576 409 1HE LYS 100 1HE LYS 100 6.957 -11.796 -5.610 410 2HE LYS 100 2HE LYS 100 7.765 -12.879 -4.493 411 1HZ LYS 100 1HZ LYS 100 7.693 -13.741 -6.741 412 2HZ LYS 100 2HZ LYS 100 6.899 -14.731 -5.714 413 3HZ LYS 100 3HZ LYS 100 6.060 -13.756 -6.721 414 H ASP 101 H ASP 101 4.482 -9.879 -8.444 415 HA ASP 101 HA ASP 101 6.819 -8.648 -7.769 416 1HB ASP 101 1HB ASP 101 5.136 -8.380 -10.302 417 2HB ASP 101 2HB ASP 101 6.794 -7.826 -10.181 418 H ASP 102 H ASP 102 3.527 -7.358 -8.383 419 HA ASP 102 HA ASP 102 4.376 -4.678 -8.600 420 1HB ASP 102 1HB ASP 102 1.728 -6.110 -8.292 421 2HB ASP 102 2HB ASP 102 1.774 -4.374 -8.067 422 H ALA 103 H ALA 103 3.182 -6.883 -6.032 423 HA ALA 103 HA ALA 103 2.623 -4.917 -4.104 424 1HB ALA 103 1HB ALA 103 2.745 -6.880 -2.542 425 2HB ALA 103 2HB ALA 103 1.711 -7.164 -3.962 426 3HB ALA 103 3HB ALA 103 3.344 -7.867 -3.896 427 H GLU 104 H GLU 104 5.553 -6.910 -4.843 428 HA GLU 104 HA GLU 104 6.954 -5.908 -2.625 429 1HB GLU 104 1HB GLU 104 7.333 -8.110 -3.928 430 2HB GLU 104 2HB GLU 104 8.191 -7.144 -5.113 431 1HG GLU 104 1HG GLU 104 9.686 -6.282 -3.253 432 2HG GLU 104 2HG GLU 104 8.878 -7.375 -2.146 433 H ALA 105 H ALA 105 6.716 -5.023 -6.095 434 HA ALA 105 HA ALA 105 8.950 -3.411 -6.279 435 1HB ALA 105 1HB ALA 105 7.616 -2.307 -8.135 436 2HB ALA 105 2HB ALA 105 7.715 -4.082 -8.233 437 3HB ALA 105 3HB ALA 105 6.230 -3.305 -7.634 438 H LEU 106 H LEU 106 5.590 -2.641 -5.184 439 HA LEU 106 HA LEU 106 6.204 0.106 -4.782 440 1HB LEU 106 1HB LEU 106 3.958 -0.943 -5.317 441 2HB LEU 106 2HB LEU 106 3.893 -1.460 -3.644 442 HG LEU 106 HG LEU 106 4.254 1.048 -3.074 443 1HD1 LEU 106 1HD1 LEU 106 4.859 1.943 -5.185 444 2HD1 LEU 106 2HD1 LEU 106 3.443 1.218 -5.981 445 3HD1 LEU 106 3HD1 LEU 106 3.226 2.551 -4.824 446 1HD2 LEU 106 1HD2 LEU 106 2.102 1.008 -2.503 447 2HD2 LEU 106 2HD2 LEU 106 1.568 0.912 -4.200 448 3HD2 LEU 106 3HD2 LEU 106 2.018 -0.570 -3.322 449 H LYS 107 H LYS 107 6.191 -2.868 -2.787 450 HA LYS 107 HA LYS 107 6.338 -1.700 -0.295 451 1HB LYS 107 1HB LYS 107 6.201 -4.213 -1.168 452 2HB LYS 107 2HB LYS 107 7.927 -4.166 -0.873 453 1HG LYS 107 1HG LYS 107 6.081 -3.077 1.258 454 2HG LYS 107 2HG LYS 107 6.201 -4.816 1.073 455 1HD LYS 107 1HD LYS 107 8.554 -4.825 1.546 456 2HD LYS 107 2HD LYS 107 8.702 -3.099 1.281 457 1HE LYS 107 1HE LYS 107 8.747 -3.563 3.696 458 2HE LYS 107 2HE LYS 107 7.296 -2.661 3.303 459 1HZ LYS 107 1HZ LYS 107 7.032 -5.517 3.166 460 2HZ LYS 107 2HZ LYS 107 7.294 -4.921 4.664 461 3HZ LYS 107 3HZ LYS 107 6.013 -4.404 3.790 462 H LYS 108 H LYS 108 8.990 -2.522 -2.620 463 HA LYS 108 HA LYS 108 11.085 -1.728 -0.989 464 1HB LYS 108 1HB LYS 108 10.737 -1.917 -3.982 465 2HB LYS 108 2HB LYS 108 12.243 -1.373 -3.272 466 1HG LYS 108 1HG LYS 108 12.414 -3.472 -1.955 467 2HG LYS 108 2HG LYS 108 10.867 -4.010 -2.574 468 1HD LYS 108 1HD LYS 108 11.783 -3.999 -4.897 469 2HD LYS 108 2HD LYS 108 13.327 -3.434 -4.293 470 1HE LYS 108 1HE LYS 108 13.499 -5.516 -2.875 471 2HE LYS 108 2HE LYS 108 11.992 -6.086 -3.565 472 1HZ LYS 108 1HZ LYS 108 14.358 -5.410 -5.167 473 2HZ LYS 108 2HZ LYS 108 13.983 -6.923 -4.685 474 3HZ LYS 108 3HZ LYS 108 12.988 -6.121 -5.702 475 H ALA 109 H ALA 109 9.138 0.155 -3.393 476 HA ALA 109 HA ALA 109 10.523 2.543 -3.113 477 1HB ALA 109 1HB ALA 109 7.570 2.075 -3.697 478 2HB ALA 109 2HB ALA 109 8.499 3.543 -4.086 479 3HB ALA 109 3HB ALA 109 8.883 2.005 -4.897 480 H LEU 110 H LEU 110 7.809 1.113 -1.221 481 HA LEU 110 HA LEU 110 7.273 3.431 0.261 482 1HB LEU 110 1HB LEU 110 6.748 0.509 0.805 483 2HB LEU 110 2HB LEU 110 6.140 1.812 1.806 484 HG LEU 110 HG LEU 110 5.541 1.895 -1.125 485 1HD1 LEU 110 1HD1 LEU 110 3.368 0.543 -0.164 486 2HD1 LEU 110 2HD1 LEU 110 4.701 -0.181 -1.094 487 3HD1 LEU 110 3HD1 LEU 110 4.705 -0.268 0.684 488 1HD2 LEU 110 1HD2 LEU 110 3.899 2.613 1.320 489 2HD2 LEU 110 2HD2 LEU 110 4.892 3.746 0.372 490 3HD2 LEU 110 3HD2 LEU 110 3.489 2.948 -0.380 491 H GLU 111 H GLU 111 9.516 0.662 0.739 492 HA GLU 111 HA GLU 111 10.242 1.353 3.325 493 1HB GLU 111 1HB GLU 111 11.570 -0.253 1.122 494 2HB GLU 111 2HB GLU 111 12.395 0.014 2.645 495 1HG GLU 111 1HG GLU 111 10.489 -0.987 3.885 496 2HG GLU 111 2HG GLU 111 9.600 -1.194 2.388 497 H GLU 112 H GLU 112 11.583 2.256 0.095 498 HA GLU 112 HA GLU 112 13.807 3.582 0.988 499 1HB GLU 112 1HB GLU 112 12.026 4.021 -1.441 500 2HB GLU 112 2HB GLU 112 13.511 4.921 -1.202 501 1HG GLU 112 1HG GLU 112 13.697 1.941 -0.894 502 2HG GLU 112 2HG GLU 112 13.417 2.539 -2.517 503 H ALA 113 H ALA 113 10.381 4.591 0.859 504 HA ALA 113 HA ALA 113 11.006 7.337 1.428 505 1HB ALA 113 1HB ALA 113 8.403 7.299 1.768 506 2HB ALA 113 2HB ALA 113 9.075 7.080 0.134 507 3HB ALA 113 3HB ALA 113 8.517 5.668 1.064 508 H GLY 114 H GLY 114 10.179 4.353 3.186 509 1HA GLY 114 1HA GLY 114 10.863 4.073 5.417 510 2HA GLY 114 2HA GLY 114 10.700 5.796 5.695 511 H ALA 115 H ALA 115 8.545 3.167 4.379 512 HA ALA 115 HA ALA 115 6.612 3.917 6.459 513 1HB ALA 115 1HB ALA 115 4.811 3.716 4.845 514 2HB ALA 115 2HB ALA 115 6.005 4.878 4.218 515 3HB ALA 115 3HB ALA 115 5.951 3.221 3.571 516 H GLU 116 H GLU 116 5.037 2.112 6.915 517 HA GLU 116 HA GLU 116 6.430 -0.420 6.533 518 1HB GLU 116 1HB GLU 116 6.280 0.321 8.891 519 2HB GLU 116 2HB GLU 116 4.538 0.448 8.762 520 1HG GLU 116 1HG GLU 116 4.338 -1.973 8.352 521 2HG GLU 116 2HG GLU 116 6.082 -2.145 8.291 522 H VAL 117 H VAL 117 5.460 -1.860 5.176 523 HA VAL 117 HA VAL 117 2.539 -1.653 4.907 524 HB VAL 117 HB VAL 117 4.722 -1.807 2.898 525 1HG1 VAL 117 1HG1 VAL 117 3.207 -2.843 1.224 526 2HG1 VAL 117 2HG1 VAL 117 3.665 -3.961 2.532 527 3HG1 VAL 117 3HG1 VAL 117 2.052 -3.206 2.531 528 1HG2 VAL 117 1HG2 VAL 117 3.705 0.252 2.814 529 2HG2 VAL 117 2HG2 VAL 117 2.719 -0.628 1.621 530 3HG2 VAL 117 3HG2 VAL 117 2.110 -0.391 3.277 531 H GLU 118 H GLU 118 1.392 -3.664 4.654 532 HA GLU 118 HA GLU 118 3.014 -5.938 5.499 533 1HB GLU 118 1HB GLU 118 1.519 -5.251 7.303 534 2HB GLU 118 2HB GLU 118 0.142 -5.222 6.220 535 1HG GLU 118 1HG GLU 118 0.083 -7.300 7.509 536 2HG GLU 118 2HG GLU 118 0.406 -7.687 5.830 537 H VAL 119 H VAL 119 2.886 -7.814 4.275 538 HA VAL 119 HA VAL 119 1.023 -7.693 2.008 539 HB VAL 119 HB VAL 119 3.634 -9.192 2.299 540 1HG1 VAL 119 1HG1 VAL 119 3.039 -10.312 0.467 541 2HG1 VAL 119 2HG1 VAL 119 1.467 -9.479 0.458 542 3HG1 VAL 119 3HG1 VAL 119 2.850 -8.779 -0.418 543 1HG2 VAL 119 1HG2 VAL 119 2.994 -6.575 0.902 544 2HG2 VAL 119 2HG2 VAL 119 4.114 -6.833 2.261 545 3HG2 VAL 119 3HG2 VAL 119 4.492 -7.503 0.655 546 H LYS 120 H LYS 120 -0.632 -9.126 1.976 547 HA LYS 120 HA LYS 120 -0.289 -11.570 3.561 548 1HB LYS 120 1HB LYS 120 -2.033 -9.430 4.158 549 2HB LYS 120 2HB LYS 120 -3.045 -10.697 3.494 550 1HG LYS 120 1HG LYS 120 -2.854 -11.046 5.902 551 2HG LYS 120 2HG LYS 120 -2.003 -12.342 5.085 552 1HD LYS 120 1HD LYS 120 0.079 -11.624 5.798 553 2HD LYS 120 2HD LYS 120 -0.354 -9.928 5.712 554 1HE LYS 120 1HE LYS 120 -1.598 -10.059 7.810 555 2HE LYS 120 2HE LYS 120 -1.460 -11.804 7.851 556 1HZ LYS 120 1HZ LYS 120 0.766 -11.674 8.344 557 2HZ LYS 120 2HZ LYS 120 0.944 -10.150 7.782 558 3HZ LYS 120 3HZ LYS 120 0.169 -10.415 9.195
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