NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
13668 | 1vd4 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ARG 113 1HT ARG 113 2.995 -19.204 -18.914 2 2H ARG 113 2HT ARG 113 1.687 -18.466 -19.710 3 3H ARG 113 3HT ARG 113 1.799 -20.160 -19.645 4 HA ARG 113 HA ARG 113 0.391 -19.988 -17.909 5 1HB ARG 113 2HB ARG 113 3.135 -19.192 -16.923 6 2HB ARG 113 1HB ARG 113 1.803 -19.475 -15.802 7 1HG ARG 113 2HG ARG 113 1.542 -21.745 -16.563 8 2HG ARG 113 1HG ARG 113 2.667 -21.485 -17.897 9 1HD ARG 113 2HD ARG 113 4.092 -22.504 -16.356 10 2HD ARG 113 1HD ARG 113 4.308 -20.807 -15.886 11 HE ARG 113 HE ARG 113 2.475 -21.200 -14.185 12 1HH1 ARG 113 1HH1 ARG 113 1.770 -23.956 -15.273 13 2HH1 ARG 113 2HH1 ARG 113 2.525 -24.984 -14.102 14 1HH2 ARG 113 1HH2 ARG 113 4.516 -22.467 -12.789 15 2HH2 ARG 113 2HH2 ARG 113 4.080 -24.141 -12.694 16 H ILE 114 H ILE 114 0.295 -18.333 -15.661 17 HA ILE 114 HA ILE 114 -0.713 -15.812 -16.863 18 HB ILE 114 HB ILE 114 -2.052 -17.283 -15.320 19 1HG1 ILE 114 2HG1 ILE 114 -2.796 -15.392 -13.837 20 2HG1 ILE 114 1HG1 ILE 114 -1.405 -14.465 -14.400 21 1HG2 ILE 114 1HG2 ILE 114 -1.028 -18.069 -13.475 22 2HG2 ILE 114 2HG2 ILE 114 -1.018 -16.428 -12.830 23 3HG2 ILE 114 3HG2 ILE 114 0.362 -17.019 -13.757 24 1HD1 ILE 114 1HD1 ILE 114 -2.428 -13.945 -16.343 25 2HD1 ILE 114 2HD1 ILE 114 -3.911 -14.577 -15.626 26 3HD1 ILE 114 3HD1 ILE 114 -2.896 -15.623 -16.620 27 H GLU 115 H GLU 115 -0.086 -13.737 -15.979 28 HA GLU 115 HA GLU 115 2.715 -13.679 -15.011 29 1HB GLU 115 2HB GLU 115 0.954 -12.097 -16.643 30 2HB GLU 115 1HB GLU 115 1.566 -11.091 -15.328 31 1HG GLU 115 2HG GLU 115 3.497 -12.861 -16.779 32 2HG GLU 115 1HG GLU 115 2.956 -11.381 -17.572 33 H THR 116 H THR 116 3.090 -13.531 -12.836 34 HA THR 116 HA THR 116 0.913 -12.791 -10.989 35 HB THR 116 HB THR 116 3.813 -13.449 -10.413 36 HG1 THR 116 1HG THR 116 1.717 -15.321 -10.475 37 1HG2 THR 116 1HG2 THR 116 2.930 -12.899 -8.365 38 2HG2 THR 116 2HG2 THR 116 2.390 -14.576 -8.438 39 3HG2 THR 116 3HG2 THR 116 1.279 -13.272 -8.860 40 H ASP 117 H ASP 117 4.183 -11.585 -11.813 41 HA ASP 117 HA ASP 117 4.025 -9.275 -10.072 42 1HB ASP 117 2HB ASP 117 5.782 -10.382 -12.211 43 2HB ASP 117 1HB ASP 117 5.940 -8.659 -11.868 44 H GLU 118 H GLU 118 3.060 -7.319 -10.491 45 HA GLU 118 HA GLU 118 2.728 -6.317 -13.225 46 1HB GLU 118 2HB GLU 118 0.351 -6.513 -13.326 47 2HB GLU 118 1HB GLU 118 0.916 -8.084 -12.758 48 1HG GLU 118 2HG GLU 118 0.542 -7.262 -10.395 49 2HG GLU 118 1HG GLU 118 -0.242 -5.841 -11.086 50 H ARG 119 H ARG 119 1.901 -6.031 -9.780 51 HA ARG 119 HA ARG 119 2.249 -3.073 -10.032 52 1HB ARG 119 2HB ARG 119 -0.046 -4.655 -8.865 53 2HB ARG 119 1HB ARG 119 0.247 -2.977 -8.403 54 1HG ARG 119 2HG ARG 119 0.422 -3.122 -11.243 55 2HG ARG 119 1HG ARG 119 -1.050 -3.965 -10.759 56 1HD ARG 119 2HD ARG 119 -1.445 -1.891 -9.211 57 2HD ARG 119 1HD ARG 119 -0.290 -1.088 -10.295 58 HE ARG 119 HE ARG 119 -2.486 -2.597 -11.584 59 1HH1 ARG 119 1HH1 ARG 119 -0.570 -0.255 -12.505 60 2HH1 ARG 119 2HH1 ARG 119 -1.750 0.991 -12.731 61 1HH2 ARG 119 1HH2 ARG 119 -4.259 -0.710 -11.051 62 2HH2 ARG 119 2HH2 ARG 119 -3.838 0.736 -11.906 63 H ASP 120 H ASP 120 1.046 -4.647 -7.148 64 HA ASP 120 HA ASP 120 2.021 -4.900 -5.011 65 1HB ASP 120 2HB ASP 120 4.411 -5.347 -6.831 66 2HB ASP 120 1HB ASP 120 4.366 -5.768 -5.118 67 H SER 121 H SER 121 5.124 -3.770 -6.115 68 HA SER 121 HA SER 121 4.837 -1.356 -4.417 69 1HB SER 121 2HB SER 121 7.224 -2.464 -5.925 70 2HB SER 121 1HB SER 121 7.260 -1.310 -4.596 71 HG SER 121 HG SER 121 6.953 -2.887 -3.217 72 H THR 122 H THR 122 5.501 0.764 -5.284 73 HA THR 122 HA THR 122 4.915 1.006 -8.213 74 HB THR 122 HB THR 122 4.504 3.465 -7.323 75 HG1 THR 122 1HG THR 122 3.972 1.983 -4.988 76 1HG2 THR 122 1HG2 THR 122 2.218 2.363 -6.332 77 2HG2 THR 122 2HG2 THR 122 2.848 1.017 -7.283 78 3HG2 THR 122 3HG2 THR 122 2.542 2.574 -8.053 79 H ASN 123 H ASN 123 6.609 3.093 -5.847 80 HA ASN 123 HA ASN 123 9.167 2.816 -7.266 81 1HB ASN 123 2HB ASN 123 9.085 5.359 -7.768 82 2HB ASN 123 1HB ASN 123 8.142 4.294 -8.811 83 1HD2 ASN 123 1HD2 ASN 123 6.833 6.382 -9.162 84 2HD2 ASN 123 2HD2 ASN 123 5.604 6.736 -8.046 85 H ARG 124 H ARG 124 7.264 4.851 -5.012 86 HA ARG 124 HA ARG 124 9.670 4.903 -3.217 87 1HB ARG 124 2HB ARG 124 9.072 7.216 -2.696 88 2HB ARG 124 1HB ARG 124 9.216 7.039 -4.444 89 1HG ARG 124 2HG ARG 124 7.067 7.639 -4.739 90 2HG ARG 124 1HG ARG 124 6.523 6.406 -3.602 91 1HD ARG 124 2HD ARG 124 6.753 7.882 -1.732 92 2HD ARG 124 1HD ARG 124 7.681 9.056 -2.687 93 HE ARG 124 HE ARG 124 5.425 8.995 -4.138 94 1HH1 ARG 124 1HH1 ARG 124 6.207 10.173 -1.111 95 2HH1 ARG 124 2HH1 ARG 124 4.577 10.455 -0.597 96 1HH2 ARG 124 1HH2 ARG 124 3.160 8.838 -3.318 97 2HH2 ARG 124 2HH2 ARG 124 2.851 9.697 -1.846 98 H ALA 125 H ALA 125 7.959 6.520 -1.331 99 HA ALA 125 HA ALA 125 6.458 6.139 0.448 100 1HB ALA 125 1HB ALA 125 5.326 3.824 -1.080 101 2HB ALA 125 2HB ALA 125 5.154 5.445 -1.752 102 3HB ALA 125 3HB ALA 125 4.480 5.073 -0.165 103 H SER 126 H SER 126 9.028 4.635 0.074 104 HA SER 126 HA SER 126 8.667 2.755 2.300 105 1HB SER 126 2HB SER 126 9.526 0.840 0.939 106 2HB SER 126 1HB SER 126 7.957 1.418 0.388 107 HG SER 126 HG SER 126 8.948 1.590 -1.463 108 H PHE 127 H PHE 127 10.181 4.580 2.948 109 HA PHE 127 HA PHE 127 12.918 4.344 1.804 110 1HB PHE 127 2HB PHE 127 12.059 6.275 3.943 111 2HB PHE 127 1HB PHE 127 13.219 6.512 2.635 112 HD1 PHE 127 1HD PHE 127 9.743 6.743 3.649 113 HD2 PHE 127 2HD PHE 127 12.389 6.748 0.266 114 HE1 PHE 127 1HE PHE 127 7.941 7.697 2.244 115 HE2 PHE 127 2HE PHE 127 10.588 7.706 -1.142 116 HZ PHE 127 HZ PHE 127 8.356 8.175 -0.155 117 H LYS 128 H LYS 128 14.739 4.262 3.356 118 HA LYS 128 HA LYS 128 14.079 3.031 5.981 119 1HB LYS 128 2HB LYS 128 14.392 1.128 4.621 120 2HB LYS 128 1HB LYS 128 15.674 1.900 3.688 121 1HG LYS 128 2HG LYS 128 17.270 1.260 5.159 122 2HG LYS 128 1HG LYS 128 16.291 1.735 6.548 123 1HD LYS 128 2HD LYS 128 14.986 -0.507 5.477 124 2HD LYS 128 1HD LYS 128 16.703 -0.908 5.420 125 1HE LYS 128 2HE LYS 128 16.763 0.005 7.868 126 2HE LYS 128 1HE LYS 128 15.007 -0.244 7.822 127 1HZ LYS 128 1HZ LYS 128 16.401 -2.227 8.519 128 2HZ LYS 128 2HZ LYS 128 16.918 -2.312 6.904 129 3HZ LYS 128 3HZ LYS 128 15.272 -2.496 7.283 130 H CYS 129 H CYS 129 15.717 3.367 7.562 131 HA CYS 129 HA CYS 129 17.564 5.587 6.952 132 1HB CYS 129 2HB CYS 129 16.082 5.601 8.927 133 2HB CYS 129 1HB CYS 129 16.837 4.119 9.505 134 HA PRO 130 HA PRO 130 20.916 2.713 6.603 135 1HB PRO 130 2HB PRO 130 22.897 4.564 6.286 136 2HB PRO 130 1HB PRO 130 21.749 4.146 5.002 137 1HG PRO 130 2HG PRO 130 21.863 6.541 6.721 138 2HG PRO 130 1HG PRO 130 21.242 6.355 5.076 139 1HD PRO 130 2HD PRO 130 19.715 6.496 7.421 140 2HD PRO 130 1HD PRO 130 19.142 5.988 5.819 141 H VAL 131 H VAL 131 20.547 5.026 9.151 142 HA VAL 131 HA VAL 131 23.007 4.118 10.530 143 HB VAL 131 HB VAL 131 20.970 6.299 10.919 144 1HG1 VAL 131 1HG1 VAL 131 22.066 6.924 13.003 145 2HG1 VAL 131 2HG1 VAL 131 23.196 5.580 12.851 146 3HG1 VAL 131 3HG1 VAL 131 21.486 5.264 13.143 147 1HG2 VAL 131 1HG2 VAL 131 22.996 7.706 10.751 148 2HG2 VAL 131 2HG2 VAL 131 22.864 6.640 9.353 149 3HG2 VAL 131 3HG2 VAL 131 23.995 6.257 10.649 150 H CYS 132 H CYS 132 19.729 4.738 11.817 151 HA CYS 132 HA CYS 132 20.083 2.498 13.691 152 1HB CYS 132 2HB CYS 132 18.142 3.403 14.751 153 2HB CYS 132 1HB CYS 132 19.059 4.790 14.171 154 H SER 133 H SER 133 19.555 2.309 10.600 155 HA SER 133 HA SER 133 18.385 0.884 9.139 156 1HB SER 133 2HB SER 133 17.963 -1.381 10.415 157 2HB SER 133 1HB SER 133 19.607 -0.818 10.140 158 HG SER 133 HG SER 133 18.475 -1.361 12.431 159 H SER 134 H SER 134 16.653 2.753 10.769 160 HA SER 134 HA SER 134 14.242 1.234 11.413 161 1HB SER 134 2HB SER 134 15.068 4.119 11.185 162 2HB SER 134 1HB SER 134 13.362 3.712 11.350 163 HG SER 134 HG SER 134 14.969 2.342 13.088 164 H THR 135 H THR 135 12.212 2.668 10.144 165 HA THR 135 HA THR 135 12.764 2.787 7.256 166 HB THR 135 HB THR 135 10.737 0.767 8.179 167 HG1 THR 135 1HG THR 135 12.349 -0.261 9.049 168 1HG2 THR 135 1HG2 THR 135 10.677 1.282 5.843 169 2HG2 THR 135 2HG2 THR 135 11.504 -0.268 5.986 170 3HG2 THR 135 3HG2 THR 135 12.435 1.205 5.717 171 H PHE 136 H PHE 136 10.900 3.553 6.047 172 HA PHE 136 HA PHE 136 8.521 4.411 7.593 173 1HB PHE 136 2HB PHE 136 10.194 6.381 6.019 174 2HB PHE 136 1HB PHE 136 8.888 6.737 7.144 175 HD1 PHE 136 1HD PHE 136 12.428 6.205 6.774 176 HD2 PHE 136 2HD PHE 136 9.203 6.130 9.609 177 HE1 PHE 136 1HE PHE 136 14.060 6.356 8.635 178 HE2 PHE 136 2HE PHE 136 10.836 6.279 11.470 179 HZ PHE 136 HZ PHE 136 13.264 6.395 10.980 180 H THR 137 H THR 137 6.851 5.291 6.098 181 HA THR 137 HA THR 137 7.160 4.199 3.316 182 HB THR 137 HB THR 137 4.488 4.355 3.725 183 HG1 THR 137 1HG THR 137 4.945 5.196 5.870 184 1HG2 THR 137 1HG2 THR 137 6.263 2.153 4.815 185 2HG2 THR 137 2HG2 THR 137 5.804 2.339 3.122 186 3HG2 THR 137 3HG2 THR 137 4.575 1.985 4.336 187 H ASP 138 H ASP 138 4.960 5.454 2.161 188 HA ASP 138 HA ASP 138 5.950 8.091 1.614 189 1HB ASP 138 2HB ASP 138 3.633 8.274 0.512 190 2HB ASP 138 1HB ASP 138 4.669 6.963 -0.040 191 H LEU 139 H LEU 139 3.177 6.969 3.590 192 HA LEU 139 HA LEU 139 2.126 9.458 4.371 193 1HB LEU 139 2HB LEU 139 1.159 8.209 6.176 194 2HB LEU 139 1HB LEU 139 1.349 7.060 4.852 195 HG LEU 139 HG LEU 139 3.774 6.824 6.079 196 1HD1 LEU 139 1HD1 LEU 139 3.218 8.288 7.926 197 2HD1 LEU 139 2HD1 LEU 139 3.235 6.633 8.533 198 3HD1 LEU 139 3HD1 LEU 139 1.698 7.435 8.204 199 1HD2 LEU 139 1HD2 LEU 139 2.350 4.919 7.399 200 2HD2 LEU 139 2HD2 LEU 139 2.799 4.788 5.698 201 3HD2 LEU 139 3HD2 LEU 139 1.191 5.361 6.144 202 H GLU 140 H GLU 140 5.108 7.893 5.324 203 HA GLU 140 HA GLU 140 5.572 9.793 7.555 204 1HB GLU 140 2HB GLU 140 7.062 7.425 6.380 205 2HB GLU 140 1HB GLU 140 7.674 8.372 7.736 206 1HG GLU 140 2HG GLU 140 4.982 7.766 8.357 207 2HG GLU 140 1HG GLU 140 5.696 6.270 7.752 208 H ALA 141 H ALA 141 6.162 9.531 4.199 209 HA ALA 141 HA ALA 141 8.704 10.897 4.025 210 1HB ALA 141 1HB ALA 141 6.850 9.591 2.364 211 2HB ALA 141 2HB ALA 141 8.393 10.284 1.869 212 3HB ALA 141 3HB ALA 141 6.919 11.245 1.757 213 H ASN 142 H ASN 142 5.308 11.984 3.804 214 HA ASN 142 HA ASN 142 5.905 14.737 3.214 215 1HB ASN 142 2HB ASN 142 3.550 13.253 4.405 216 2HB ASN 142 1HB ASN 142 3.499 14.981 4.053 217 1HD2 ASN 142 1HD2 ASN 142 3.738 11.766 2.560 218 2HD2 ASN 142 2HD2 ASN 142 3.401 12.286 0.980 219 H GLN 143 H GLN 143 6.411 12.932 6.037 220 HA GLN 143 HA GLN 143 6.274 15.393 7.747 221 1HB GLN 143 2HB GLN 143 6.053 13.746 9.603 222 2HB GLN 143 1HB GLN 143 4.778 13.555 8.399 223 1HG GLN 143 2HG GLN 143 5.820 11.643 7.444 224 2HG GLN 143 1HG GLN 143 7.340 11.959 8.281 225 1HE2 GLN 143 1HE2 GLN 143 4.090 10.636 8.667 226 2HE2 GLN 143 2HE2 GLN 143 4.339 9.990 10.216 227 H LEU 144 H LEU 144 8.278 12.697 6.671 228 HA LEU 144 HA LEU 144 10.504 13.441 8.467 229 1HB LEU 144 2HB LEU 144 10.008 11.348 6.335 230 2HB LEU 144 1HB LEU 144 11.571 11.520 7.134 231 HG LEU 144 HG LEU 144 8.923 11.004 8.517 232 1HD1 LEU 144 1HD1 LEU 144 10.031 8.831 9.102 233 2HD1 LEU 144 2HD1 LEU 144 11.353 9.263 8.016 234 3HD1 LEU 144 3HD1 LEU 144 9.730 9.017 7.374 235 1HD2 LEU 144 1HD2 LEU 144 11.120 10.509 10.218 236 2HD2 LEU 144 2HD2 LEU 144 9.947 11.820 10.352 237 3HD2 LEU 144 3HD2 LEU 144 11.446 12.066 9.455 238 H PHE 145 H PHE 145 9.318 14.482 5.479 239 HA PHE 145 HA PHE 145 11.790 14.891 4.029 240 1HB PHE 145 2HB PHE 145 9.440 14.771 3.124 241 2HB PHE 145 1HB PHE 145 9.140 16.355 3.838 242 HD1 PHE 145 1HD PHE 145 9.065 17.954 2.139 243 HD2 PHE 145 2HD PHE 145 12.104 14.921 2.039 244 HE1 PHE 145 1HE PHE 145 10.085 19.041 0.158 245 HE2 PHE 145 2HE PHE 145 13.124 16.009 0.058 246 HZ PHE 145 HZ PHE 145 12.114 18.070 -0.883 247 H ASP 146 H ASP 146 12.941 16.887 3.764 248 HA ASP 146 HA ASP 146 12.292 19.100 5.656 249 1HB ASP 146 2HB ASP 146 14.498 17.163 5.760 250 2HB ASP 146 1HB ASP 146 15.048 18.838 5.812 251 HA PRO 147 HA PRO 147 13.354 21.291 1.944 252 1HB PRO 147 2HB PRO 147 13.199 23.813 2.993 253 2HB PRO 147 1HB PRO 147 11.769 22.848 2.581 254 1HG PRO 147 2HG PRO 147 13.023 23.334 5.234 255 2HG PRO 147 1HG PRO 147 11.310 23.218 4.798 256 1HD PRO 147 2HD PRO 147 12.709 21.195 5.985 257 2HD PRO 147 1HD PRO 147 11.293 20.937 4.940 258 H MET 148 H MET 148 14.910 22.059 5.058 259 HA MET 148 HA MET 148 17.108 23.577 4.173 260 1HB MET 148 2HB MET 148 18.146 22.797 6.244 261 2HB MET 148 1HB MET 148 16.422 23.046 6.522 262 1HG MET 148 2HG MET 148 16.073 20.592 6.061 263 2HG MET 148 1HG MET 148 17.827 20.408 6.024 264 1HE MET 148 1HE MET 148 19.249 21.748 7.908 265 2HE MET 148 2HE MET 148 18.674 22.050 9.545 266 3HE MET 148 3HE MET 148 18.082 23.041 8.213 267 H THR 149 H THR 149 16.478 20.154 3.769 268 HA THR 149 HA THR 149 19.171 19.869 2.474 269 HB THR 149 HB THR 149 19.117 18.627 4.537 270 HG1 THR 149 1HG THR 149 20.002 17.170 3.315 271 1HG2 THR 149 1HG2 THR 149 16.788 18.592 5.047 272 2HG2 THR 149 2HG2 THR 149 17.261 16.903 4.864 273 3HG2 THR 149 3HG2 THR 149 16.403 17.725 3.561 274 H GLY 150 H GLY 150 15.718 19.343 2.265 275 1HA GLY 150 2HA GLY 150 14.431 18.879 0.337 276 2HA GLY 150 1HA GLY 150 15.927 18.805 -0.595 277 H THR 151 H THR 151 15.264 16.917 2.315 278 HA THR 151 HA THR 151 14.787 14.467 0.707 279 HB THR 151 HB THR 151 16.795 13.758 2.548 280 HG1 THR 151 1HG THR 151 18.063 15.406 2.692 281 1HG2 THR 151 1HG2 THR 151 18.099 14.020 0.140 282 2HG2 THR 151 2HG2 THR 151 16.409 13.939 -0.359 283 3HG2 THR 151 3HG2 THR 151 17.107 12.638 0.605 284 H PHE 152 H PHE 152 14.772 12.539 2.508 285 HA PHE 152 HA PHE 152 12.907 13.501 4.624 286 1HB PHE 152 2HB PHE 152 13.539 10.674 3.739 287 2HB PHE 152 1HB PHE 152 12.104 11.238 4.595 288 HD1 PHE 152 1HD PHE 152 13.531 10.551 1.396 289 HD2 PHE 152 2HD PHE 152 10.656 13.043 3.391 290 HE1 PHE 152 1HE PHE 152 12.419 11.003 -0.774 291 HE2 PHE 152 2HE PHE 152 9.544 13.495 1.221 292 HZ PHE 152 HZ PHE 152 10.425 12.476 -0.862 293 H ARG 153 H ARG 153 13.656 13.606 6.701 294 HA ARG 153 HA ARG 153 16.260 12.284 7.325 295 1HB ARG 153 2HB ARG 153 14.759 14.711 8.215 296 2HB ARG 153 1HB ARG 153 15.853 13.954 9.374 297 1HG ARG 153 2HG ARG 153 17.522 13.955 7.322 298 2HG ARG 153 1HG ARG 153 16.481 15.258 6.748 299 1HD ARG 153 2HD ARG 153 16.988 16.644 8.593 300 2HD ARG 153 1HD ARG 153 17.571 15.280 9.569 301 HE ARG 153 HE ARG 153 19.004 16.065 7.063 302 1HH1 ARG 153 1HH1 ARG 153 19.730 17.611 9.560 303 2HH1 ARG 153 2HH1 ARG 153 21.065 16.689 10.165 304 1HH2 ARG 153 1HH2 ARG 153 20.367 13.907 8.215 305 2HH2 ARG 153 2HH2 ARG 153 21.427 14.592 9.403 306 H CYS 154 H CYS 154 16.395 10.777 8.953 307 HA CYS 154 HA CYS 154 14.315 9.143 9.787 308 1HB CYS 154 2HB CYS 154 16.858 9.007 10.092 309 2HB CYS 154 1HB CYS 154 16.632 10.005 11.525 310 H THR 155 H THR 155 13.507 9.008 12.195 311 HA THR 155 HA THR 155 12.672 11.760 13.050 312 HB THR 155 HB THR 155 10.983 9.636 14.032 313 HG1 THR 155 1HG THR 155 10.306 9.293 11.647 314 1HG2 THR 155 1HG2 THR 155 10.649 11.928 12.086 315 2HG2 THR 155 2HG2 THR 155 10.184 11.884 13.787 316 3HG2 THR 155 3HG2 THR 155 9.311 10.905 12.608 317 H PHE 156 H PHE 156 14.253 8.826 14.033 318 HA PHE 156 HA PHE 156 14.149 9.751 16.867 319 1HB PHE 156 2HB PHE 156 15.150 7.139 16.793 320 2HB PHE 156 1HB PHE 156 13.539 7.630 17.286 321 HD1 PHE 156 1HD PHE 156 11.651 6.984 16.045 322 HD2 PHE 156 2HD PHE 156 15.555 6.712 14.277 323 HE1 PHE 156 1HE PHE 156 10.682 5.803 14.092 324 HE2 PHE 156 2HE PHE 156 14.587 5.537 12.326 325 HZ PHE 156 HZ PHE 156 12.151 5.077 12.231 326 H CYS 157 H CYS 157 16.289 8.543 14.315 327 HA CYS 157 HA CYS 157 18.601 9.488 15.961 328 1HB CYS 157 2HB CYS 157 19.686 7.579 15.349 329 2HB CYS 157 1HB CYS 157 18.069 6.994 14.986 330 H HIS 158 H HIS 158 16.710 10.835 13.960 331 HA HIS 158 HA HIS 158 16.818 12.256 12.060 332 1HB HIS 158 2HB HIS 158 18.855 12.916 14.141 333 2HB HIS 158 1HB HIS 158 18.808 13.898 12.673 334 HD1 HIS 158 1HD HIS 158 16.612 15.237 12.193 335 HD2 HIS 158 2HD HIS 158 16.601 13.217 15.839 336 HE1 HIS 158 1HE HIS 158 14.644 16.142 13.508 337 H THR 159 H THR 159 18.409 9.724 11.543 338 HA THR 159 HA THR 159 20.759 10.708 10.045 339 HB THR 159 HB THR 159 19.436 8.045 10.567 340 HG1 THR 159 1HG THR 159 21.334 9.490 11.722 341 1HG2 THR 159 1HG2 THR 159 21.034 6.936 9.186 342 2HG2 THR 159 2HG2 THR 159 21.950 8.421 8.934 343 3HG2 THR 159 3HG2 THR 159 20.362 8.226 8.195 344 H GLU 160 H GLU 160 20.885 10.549 7.708 345 HA GLU 160 HA GLU 160 18.476 11.247 6.290 346 1HB GLU 160 2HB GLU 160 21.264 11.254 5.919 347 2HB GLU 160 1HB GLU 160 20.634 10.216 4.639 348 1HG GLU 160 2HG GLU 160 19.456 12.934 5.252 349 2HG GLU 160 1HG GLU 160 20.759 12.706 4.085 350 H VAL 161 H VAL 161 16.902 9.844 5.618 351 HA VAL 161 HA VAL 161 17.396 6.936 5.625 352 HB VAL 161 HB VAL 161 14.964 6.869 5.237 353 1HG1 VAL 161 1HG1 VAL 161 14.251 8.119 7.242 354 2HG1 VAL 161 2HG1 VAL 161 15.772 9.010 7.227 355 3HG1 VAL 161 3HG1 VAL 161 15.770 7.273 7.531 356 1HG2 VAL 161 1HG2 VAL 161 14.210 8.525 3.872 357 2HG2 VAL 161 2HG2 VAL 161 15.509 9.624 4.339 358 3HG2 VAL 161 3HG2 VAL 161 14.078 9.467 5.357 359 H GLU 162 H GLU 162 16.453 5.696 3.665 360 HA GLU 162 HA GLU 162 16.775 7.116 1.077 361 1HB GLU 162 2HB GLU 162 18.597 5.071 2.287 362 2HB GLU 162 1HB GLU 162 18.335 5.014 0.543 363 1HG GLU 162 2HG GLU 162 18.721 7.704 0.974 364 2HG GLU 162 1HG GLU 162 19.820 6.983 2.149 365 H GLU 163 H GLU 163 15.598 6.103 -0.582 366 HA GLU 163 HA GLU 163 13.351 4.545 -0.042 367 1HB GLU 163 2HB GLU 163 15.127 4.677 -2.499 368 2HB GLU 163 1HB GLU 163 13.493 4.012 -2.499 369 1HG GLU 163 2HG GLU 163 12.583 6.161 -1.763 370 2HG GLU 163 1HG GLU 163 14.210 6.838 -1.663 371 H ASP 164 H ASP 164 13.025 2.401 0.439 372 HA ASP 164 HA ASP 164 15.382 0.565 0.325 373 1HB ASP 164 2HB ASP 164 14.170 1.054 2.481 374 2HB ASP 164 1HB ASP 164 12.733 0.308 1.782 375 H GLU 165 H GLU 165 15.376 -0.696 -1.500 376 HA GLU 165 HA GLU 165 12.921 -1.233 -3.003 377 1HB GLU 165 2HB GLU 165 15.840 -1.993 -3.200 378 2HB GLU 165 1HB GLU 165 14.643 -2.615 -4.338 379 1HG GLU 165 2HG GLU 165 14.058 -0.389 -5.055 380 2HG GLU 165 1HG GLU 165 15.032 0.335 -3.774 381 H SER 166 H SER 166 14.234 -2.600 -0.242 382 HA SER 166 HA SER 166 12.912 -5.229 -0.836 383 1HB SER 166 2HB SER 166 15.411 -5.299 -0.857 384 2HB SER 166 1HB SER 166 15.416 -4.695 0.798 385 HG SER 166 HG SER 166 13.894 -6.614 1.095 386 H ALA 167 H ALA 167 11.387 -3.277 0.329 387 HA ALA 167 HA ALA 167 11.347 -4.064 3.226 388 1HB ALA 167 1HB ALA 167 10.717 -1.405 1.900 389 2HB ALA 167 2HB ALA 167 12.132 -1.764 2.891 390 3HB ALA 167 3HB ALA 167 10.526 -1.740 3.621 391 H MET 168 H MET 168 9.872 -4.972 0.652 392 HA MET 168 HA MET 168 7.093 -4.583 1.721 393 1HB MET 168 2HB MET 168 8.199 -4.680 -1.099 394 2HB MET 168 1HB MET 168 6.476 -4.826 -0.752 395 1HG MET 168 2HG MET 168 8.202 -2.504 0.152 396 2HG MET 168 1HG MET 168 7.177 -2.480 -1.283 397 1HE MET 168 1HE MET 168 5.019 -0.900 -0.866 398 2HE MET 168 2HE MET 168 6.542 -0.351 -0.172 399 3HE MET 168 3HE MET 168 5.057 -0.217 0.765 400 HA PRO 169 HA PRO 169 6.846 -8.968 1.824 401 1HB PRO 169 2HB PRO 169 4.186 -9.353 1.302 402 2HB PRO 169 1HB PRO 169 4.784 -8.715 2.846 403 1HG PRO 169 2HG PRO 169 3.593 -7.271 0.534 404 2HG PRO 169 1HG PRO 169 3.396 -6.982 2.270 405 1HD PRO 169 2HD PRO 169 5.026 -5.492 0.661 406 2HD PRO 169 1HD PRO 169 5.289 -5.707 2.405 407 H LYS 170 H LYS 170 7.969 -9.821 0.047 408 HA LYS 170 HA LYS 170 6.662 -9.745 -2.635 409 1HB LYS 170 2HB LYS 170 9.214 -9.250 -1.785 410 2HB LYS 170 1HB LYS 170 9.343 -10.945 -2.260 411 1HG LYS 170 2HG LYS 170 8.752 -10.501 -4.487 412 2HG LYS 170 1HG LYS 170 7.991 -8.962 -4.078 413 1HD LYS 170 2HD LYS 170 10.580 -8.570 -3.226 414 2HD LYS 170 1HD LYS 170 10.809 -9.556 -4.671 415 1HE LYS 170 2HE LYS 170 8.996 -7.849 -5.666 416 2HE LYS 170 1HE LYS 170 9.703 -6.792 -4.427 417 1HZ LYS 170 1HZ LYS 170 10.863 -6.939 -6.706 418 2HZ LYS 170 2HZ LYS 170 11.430 -8.444 -6.157 419 3HZ LYS 170 3HZ LYS 170 11.817 -7.025 -5.306 420 H LYS 171 H LYS 171 7.981 -12.087 -3.634 421 HA LYS 171 HA LYS 171 6.143 -14.148 -2.686 422 1HB LYS 171 2HB LYS 171 8.071 -13.659 -4.859 423 2HB LYS 171 1HB LYS 171 7.974 -15.348 -4.361 424 1HG LYS 171 2HG LYS 171 5.312 -14.444 -4.436 425 2HG LYS 171 1HG LYS 171 6.069 -13.790 -5.889 426 1HD LYS 171 2HD LYS 171 6.968 -16.089 -6.373 427 2HD LYS 171 1HD LYS 171 6.010 -16.693 -5.019 428 1HE LYS 171 2HE LYS 171 4.634 -17.044 -6.941 429 2HE LYS 171 1HE LYS 171 3.991 -15.562 -6.207 430 1HZ LYS 171 1HZ LYS 171 6.245 -15.190 -7.990 431 2HZ LYS 171 2HZ LYS 171 4.818 -14.279 -7.838 432 3HZ LYS 171 3HZ LYS 171 4.822 -15.713 -8.748 433 H ASP 172 H ASP 172 9.354 -13.152 -1.882 434 HA ASP 172 HA ASP 172 11.056 -14.187 -0.586 435 1HB ASP 172 2HB ASP 172 8.568 -15.252 0.786 436 2HB ASP 172 1HB ASP 172 10.128 -14.901 1.535 437 H ALA 173 H ALA 173 10.276 -15.762 -2.923 438 HA ALA 173 HA ALA 173 10.687 -17.939 -3.755 439 1HB ALA 173 1HB ALA 173 12.590 -17.519 -2.045 440 2HB ALA 173 2HB ALA 173 12.264 -19.192 -2.499 441 3HB ALA 173 3HB ALA 173 11.664 -18.562 -0.966 442 H ARG 174 H ARG 174 8.730 -18.970 -4.075 443 HA ARG 174 HA ARG 174 6.922 -19.629 -1.880 444 1HB ARG 174 2HB ARG 174 6.712 -19.148 -4.560 445 2HB ARG 174 1HB ARG 174 6.616 -20.909 -4.534 446 1HG ARG 174 2HG ARG 174 4.941 -20.423 -2.516 447 2HG ARG 174 1HG ARG 174 4.748 -18.890 -3.368 448 1HD ARG 174 2HD ARG 174 4.264 -20.175 -5.472 449 2HD ARG 174 1HD ARG 174 4.302 -21.669 -4.514 450 HE ARG 174 HE ARG 174 2.589 -20.060 -3.077 451 1HH1 ARG 174 1HH1 ARG 174 2.417 -19.158 -6.155 452 2HH1 ARG 174 2HH1 ARG 174 0.897 -19.890 -6.544 453 1HH2 ARG 174 1HH2 ARG 174 0.792 -21.824 -3.668 454 2HH2 ARG 174 2HH2 ARG 174 -0.022 -21.401 -5.137 Start of MODEL 2 1 1H ARG 113 1HT ARG 113 15.988 7.587 -17.759 2 2H ARG 113 2HT ARG 113 14.823 8.510 -18.582 3 3H ARG 113 3HT ARG 113 15.565 7.191 -19.352 4 HA ARG 113 HA ARG 113 13.627 7.105 -17.101 5 1HB ARG 113 2HB ARG 113 13.210 7.367 -19.737 6 2HB ARG 113 1HB ARG 113 13.441 5.619 -19.685 7 1HG ARG 113 2HG ARG 113 11.780 5.913 -17.573 8 2HG ARG 113 1HG ARG 113 11.241 7.271 -18.562 9 1HD ARG 113 2HD ARG 113 9.912 5.412 -19.279 10 2HD ARG 113 1HD ARG 113 11.172 5.570 -20.519 11 HE ARG 113 HE ARG 113 12.404 3.901 -18.786 12 1HH1 ARG 113 1HH1 ARG 113 11.127 2.788 -21.257 13 2HH1 ARG 113 2HH1 ARG 113 10.055 1.593 -20.604 14 1HH2 ARG 113 1HH2 ARG 113 10.172 2.868 -17.382 15 2HH2 ARG 113 2HH2 ARG 113 9.511 1.642 -18.410 16 H ILE 114 H ILE 114 16.220 6.154 -16.551 17 HA ILE 114 HA ILE 114 15.738 3.201 -16.524 18 HB ILE 114 HB ILE 114 18.291 3.073 -16.921 19 1HG1 ILE 114 2HG1 ILE 114 17.734 5.901 -17.879 20 2HG1 ILE 114 1HG1 ILE 114 18.731 5.471 -16.488 21 1HG2 ILE 114 1HG2 ILE 114 16.552 4.167 -19.150 22 2HG2 ILE 114 2HG2 ILE 114 16.539 2.491 -18.603 23 3HG2 ILE 114 3HG2 ILE 114 17.992 3.168 -19.340 24 1HD1 ILE 114 1HD1 ILE 114 19.435 4.100 -19.016 25 2HD1 ILE 114 2HD1 ILE 114 20.485 4.806 -17.787 26 3HD1 ILE 114 3HD1 ILE 114 19.724 5.839 -18.997 27 H GLU 115 H GLU 115 15.027 4.087 -14.268 28 HA GLU 115 HA GLU 115 15.489 4.097 -11.947 29 1HB GLU 115 2HB GLU 115 17.007 2.197 -12.967 30 2HB GLU 115 1HB GLU 115 18.316 3.327 -12.618 31 1HG GLU 115 2HG GLU 115 17.728 3.398 -10.278 32 2HG GLU 115 1HG GLU 115 16.255 2.472 -10.569 33 H THR 116 H THR 116 15.438 6.582 -12.734 34 HA THR 116 HA THR 116 18.015 7.823 -11.819 35 HB THR 116 HB THR 116 16.719 9.688 -13.411 36 HG1 THR 116 1HG THR 116 15.245 8.131 -14.105 37 1HG2 THR 116 1HG2 THR 116 19.025 7.878 -13.596 38 2HG2 THR 116 2HG2 THR 116 18.911 9.597 -13.974 39 3HG2 THR 116 3HG2 THR 116 18.403 8.397 -15.163 40 H ASP 117 H ASP 117 17.425 10.288 -11.231 41 HA ASP 117 HA ASP 117 15.288 10.115 -9.177 42 1HB ASP 117 2HB ASP 117 17.676 10.895 -8.774 43 2HB ASP 117 1HB ASP 117 17.290 12.320 -9.739 44 H GLU 118 H GLU 118 14.831 10.527 -12.200 45 HA GLU 118 HA GLU 118 13.968 13.214 -12.680 46 1HB GLU 118 2HB GLU 118 13.069 10.532 -13.784 47 2HB GLU 118 1HB GLU 118 12.673 12.089 -14.511 48 1HG GLU 118 2HG GLU 118 15.068 12.574 -14.806 49 2HG GLU 118 1HG GLU 118 15.479 11.031 -14.057 50 H ARG 119 H ARG 119 11.741 10.441 -12.388 51 HA ARG 119 HA ARG 119 9.931 12.183 -10.742 52 1HB ARG 119 2HB ARG 119 9.422 11.530 -13.231 53 2HB ARG 119 1HB ARG 119 9.016 9.955 -12.551 54 1HG ARG 119 2HG ARG 119 7.015 11.395 -12.705 55 2HG ARG 119 1HG ARG 119 7.400 11.020 -11.025 56 1HD ARG 119 2HD ARG 119 7.532 13.235 -10.579 57 2HD ARG 119 1HD ARG 119 8.852 13.384 -11.757 58 HE ARG 119 HE ARG 119 6.105 13.244 -12.854 59 1HH1 ARG 119 1HH2 ARG 119 6.373 15.842 -11.447 60 2HH1 ARG 119 2HH2 ARG 119 7.058 16.864 -12.665 61 1HH2 ARG 119 1HH1 ARG 119 8.081 14.231 -14.676 62 2HH2 ARG 119 2HH1 ARG 119 8.023 15.953 -14.494 63 H ASP 120 H ASP 120 8.437 10.863 -9.325 64 HA ASP 120 HA ASP 120 9.037 8.078 -8.764 65 1HB ASP 120 2HB ASP 120 10.957 9.773 -7.910 66 2HB ASP 120 1HB ASP 120 9.873 9.849 -6.520 67 H SER 121 H SER 121 8.174 10.974 -6.826 68 HA SER 121 HA SER 121 6.287 9.940 -5.107 69 1HB SER 121 2HB SER 121 6.993 12.286 -5.193 70 2HB SER 121 1HB SER 121 6.166 12.501 -6.733 71 HG SER 121 HG SER 121 4.580 13.075 -5.454 72 H THR 122 H THR 122 4.691 8.480 -5.619 73 HA THR 122 HA THR 122 2.916 9.114 -7.954 74 HB THR 122 HB THR 122 2.771 6.555 -8.117 75 HG1 THR 122 1HG THR 122 3.886 5.462 -6.734 76 1HG2 THR 122 1HG2 THR 122 5.095 8.288 -8.785 77 2HG2 THR 122 2HG2 THR 122 4.031 7.372 -9.852 78 3HG2 THR 122 3HG2 THR 122 5.319 6.549 -8.973 79 H ASN 123 H ASN 123 2.909 6.672 -5.343 80 HA ASN 123 HA ASN 123 0.475 7.910 -4.165 81 1HB ASN 123 2HB ASN 123 -0.277 6.397 -5.969 82 2HB ASN 123 1HB ASN 123 0.649 5.078 -5.252 83 1HD2 ASN 123 1HD2 ASN 123 -2.410 6.618 -5.233 84 2HD2 ASN 123 2HD2 ASN 123 -3.029 5.885 -3.832 85 H ARG 124 H ARG 124 2.541 4.980 -4.052 86 HA ARG 124 HA ARG 124 2.538 5.208 -1.061 87 1HB ARG 124 2HB ARG 124 2.875 2.787 -1.103 88 2HB ARG 124 1HB ARG 124 1.497 3.190 -2.127 89 1HG ARG 124 2HG ARG 124 3.029 3.175 -4.108 90 2HG ARG 124 1HG ARG 124 4.328 2.621 -3.051 91 1HD ARG 124 2HD ARG 124 3.387 0.512 -2.772 92 2HD ARG 124 1HD ARG 124 1.736 1.100 -3.056 93 HE ARG 124 HE ARG 124 2.929 1.604 -5.463 94 1HH1 ARG 124 1HH2 ARG 124 4.898 -0.578 -4.671 95 2HH1 ARG 124 2HH2 ARG 124 4.163 -1.973 -5.387 96 1HH2 ARG 124 1HH1 ARG 124 1.083 -0.446 -5.844 97 2HH2 ARG 124 2HH1 ARG 124 2.005 -1.898 -6.053 98 H ALA 125 H ALA 125 4.585 4.965 0.008 99 HA ALA 125 HA ALA 125 7.008 4.877 -1.740 100 1HB ALA 125 1HB ALA 125 7.864 6.873 -0.600 101 2HB ALA 125 2HB ALA 125 6.427 6.927 0.423 102 3HB ALA 125 3HB ALA 125 6.289 7.230 -1.310 103 H SER 126 H SER 126 9.028 4.671 -0.295 104 HA SER 126 HA SER 126 8.602 3.573 2.402 105 1HB SER 126 2HB SER 126 8.029 1.801 0.622 106 2HB SER 126 1HB SER 126 9.749 1.791 0.241 107 HG SER 126 HG SER 126 9.884 0.462 1.861 108 H PHE 127 H PHE 127 10.267 4.697 3.378 109 HA PHE 127 HA PHE 127 12.927 4.747 1.994 110 1HB PHE 127 2HB PHE 127 11.806 6.558 4.155 111 2HB PHE 127 1HB PHE 127 13.286 6.817 3.231 112 HD1 PHE 127 1HD PHE 127 9.654 7.091 3.243 113 HD2 PHE 127 2HD PHE 127 13.165 7.276 0.777 114 HE1 PHE 127 1HE PHE 127 8.352 8.249 1.478 115 HE2 PHE 127 2HE PHE 127 11.863 8.433 -0.989 116 HZ PHE 127 HZ PHE 127 9.456 8.920 -0.637 117 H LYS 128 H LYS 128 14.789 4.235 3.262 118 HA LYS 128 HA LYS 128 14.228 3.016 5.930 119 1HB LYS 128 2HB LYS 128 14.565 1.191 4.484 120 2HB LYS 128 1HB LYS 128 15.781 2.050 3.541 121 1HG LYS 128 2HG LYS 128 17.469 1.577 5.028 122 2HG LYS 128 1HG LYS 128 16.390 1.620 6.423 123 1HD LYS 128 2HD LYS 128 15.553 -0.548 4.781 124 2HD LYS 128 1HD LYS 128 17.305 -0.667 4.953 125 1HE LYS 128 2HE LYS 128 16.803 -0.181 7.499 126 2HE LYS 128 1HE LYS 128 15.188 -0.787 7.082 127 1HZ LYS 128 1HZ LYS 128 16.959 -2.499 7.731 128 2HZ LYS 128 2HZ LYS 128 17.628 -2.200 6.197 129 3HZ LYS 128 3HZ LYS 128 16.045 -2.802 6.335 130 H CYS 129 H CYS 129 15.816 3.396 7.519 131 HA CYS 129 HA CYS 129 17.690 5.614 6.948 132 1HB CYS 129 2HB CYS 129 16.126 5.663 8.866 133 2HB CYS 129 1HB CYS 129 16.854 4.185 9.490 134 HA PRO 130 HA PRO 130 21.013 2.683 6.751 135 1HB PRO 130 2HB PRO 130 23.047 4.493 6.549 136 2HB PRO 130 1HB PRO 130 21.962 4.099 5.201 137 1HG PRO 130 2HG PRO 130 21.995 6.474 6.968 138 2HG PRO 130 1HG PRO 130 21.537 6.336 5.264 139 1HD PRO 130 2HD PRO 130 19.767 6.504 7.398 140 2HD PRO 130 1HD PRO 130 19.369 5.913 5.771 141 H VAL 131 H VAL 131 20.746 5.197 9.185 142 HA VAL 131 HA VAL 131 23.037 4.203 10.733 143 HB VAL 131 HB VAL 131 20.983 6.378 10.963 144 1HG1 VAL 131 1HG1 VAL 131 22.736 5.294 13.174 145 2HG1 VAL 131 2HG1 VAL 131 21.008 5.648 13.225 146 3HG1 VAL 131 3HG1 VAL 131 22.177 6.967 13.165 147 1HG2 VAL 131 1HG2 VAL 131 23.941 6.627 11.396 148 2HG2 VAL 131 2HG2 VAL 131 22.823 7.781 10.675 149 3HG2 VAL 131 3HG2 VAL 131 23.344 6.370 9.758 150 H CYS 132 H CYS 132 19.701 4.772 11.875 151 HA CYS 132 HA CYS 132 19.996 2.500 13.721 152 1HB CYS 132 2HB CYS 132 18.023 3.386 14.731 153 2HB CYS 132 1HB CYS 132 18.955 4.784 14.201 154 H SER 133 H SER 133 19.569 2.361 10.611 155 HA SER 133 HA SER 133 18.438 0.961 9.092 156 1HB SER 133 2HB SER 133 17.961 -1.315 10.423 157 2HB SER 133 1HB SER 133 19.588 -0.808 9.988 158 HG SER 133 HG SER 133 19.942 -0.163 12.029 159 H SER 134 H SER 134 16.649 2.781 10.691 160 HA SER 134 HA SER 134 14.238 1.216 11.248 161 1HB SER 134 2HB SER 134 15.107 4.083 11.217 162 2HB SER 134 1HB SER 134 13.381 3.732 11.226 163 HG SER 134 HG SER 134 15.045 2.349 13.000 164 H THR 135 H THR 135 12.219 2.678 10.009 165 HA THR 135 HA THR 135 12.827 2.931 7.137 166 HB THR 135 HB THR 135 10.781 0.883 7.968 167 HG1 THR 135 1HG THR 135 12.299 -0.582 8.231 168 1HG2 THR 135 1HG2 THR 135 10.825 1.686 5.634 169 2HG2 THR 135 2HG2 THR 135 11.301 -0.010 5.730 170 3HG2 THR 135 3HG2 THR 135 12.527 1.240 5.514 171 H PHE 136 H PHE 136 10.937 3.705 5.917 172 HA PHE 136 HA PHE 136 8.594 4.600 7.506 173 1HB PHE 136 2HB PHE 136 10.308 6.523 5.911 174 2HB PHE 136 1HB PHE 136 8.992 6.921 7.012 175 HD1 PHE 136 1HD PHE 136 12.512 5.955 6.731 176 HD2 PHE 136 2HD PHE 136 9.272 6.674 9.459 177 HE1 PHE 136 1HE PHE 136 14.121 6.074 8.613 178 HE2 PHE 136 2HE PHE 136 10.882 6.791 11.341 179 HZ PHE 136 HZ PHE 136 13.307 6.493 10.917 180 H THR 137 H THR 137 6.931 5.574 6.024 181 HA THR 137 HA THR 137 7.193 4.550 3.213 182 HB THR 137 HB THR 137 4.560 4.395 3.643 183 HG1 THR 137 1HG THR 137 4.736 3.511 6.023 184 1HG2 THR 137 1HG2 THR 137 5.214 2.278 3.242 185 2HG2 THR 137 2HG2 THR 137 5.479 2.106 4.977 186 3HG2 THR 137 3HG2 THR 137 6.810 2.584 3.925 187 H ASP 138 H ASP 138 5.062 5.660 2.017 188 HA ASP 138 HA ASP 138 5.700 8.360 1.560 189 1HB ASP 138 2HB ASP 138 3.261 8.386 0.707 190 2HB ASP 138 1HB ASP 138 4.342 7.175 0.017 191 H LEU 139 H LEU 139 3.208 7.023 3.761 192 HA LEU 139 HA LEU 139 2.131 9.467 4.701 193 1HB LEU 139 2HB LEU 139 1.267 8.111 6.470 194 2HB LEU 139 1HB LEU 139 1.422 7.028 5.087 195 HG LEU 139 HG LEU 139 3.920 6.890 6.298 196 1HD1 LEU 139 1HD1 LEU 139 3.371 7.904 8.339 197 2HD1 LEU 139 2HD1 LEU 139 3.084 6.198 8.684 198 3HD1 LEU 139 3HD1 LEU 139 1.727 7.266 8.325 199 1HD2 LEU 139 1HD2 LEU 139 2.962 4.643 7.141 200 2HD2 LEU 139 2HD2 LEU 139 2.892 4.946 5.405 201 3HD2 LEU 139 3HD2 LEU 139 1.448 5.154 6.395 202 H GLU 140 H GLU 140 5.245 8.055 5.226 203 HA GLU 140 HA GLU 140 5.789 9.841 7.560 204 1HB GLU 140 2HB GLU 140 7.277 7.511 6.300 205 2HB GLU 140 1HB GLU 140 7.829 8.390 7.726 206 1HG GLU 140 2HG GLU 140 5.045 7.305 7.733 207 2HG GLU 140 1HG GLU 140 6.378 6.174 7.962 208 H ALA 141 H ALA 141 6.261 9.556 4.179 209 HA ALA 141 HA ALA 141 8.800 10.910 3.916 210 1HB ALA 141 1HB ALA 141 8.406 10.444 1.718 211 2HB ALA 141 2HB ALA 141 6.804 11.182 1.761 212 3HB ALA 141 3HB ALA 141 7.028 9.525 2.324 213 H ASN 142 H ASN 142 5.405 12.018 3.669 214 HA ASN 142 HA ASN 142 5.982 14.761 3.104 215 1HB ASN 142 2HB ASN 142 3.606 15.014 4.012 216 2HB ASN 142 1HB ASN 142 3.804 13.831 2.717 217 1HD2 ASN 142 1HD2 ASN 142 1.798 12.788 3.667 218 2HD2 ASN 142 2HD2 ASN 142 1.972 11.759 5.006 219 H GLN 143 H GLN 143 5.959 12.948 6.121 220 HA GLN 143 HA GLN 143 6.086 15.446 7.724 221 1HB GLN 143 2HB GLN 143 5.630 13.999 9.560 222 2HB GLN 143 1HB GLN 143 4.688 13.337 8.225 223 1HG GLN 143 2HG GLN 143 6.389 11.656 7.789 224 2HG GLN 143 1HG GLN 143 7.455 12.372 8.999 225 1HE2 GLN 143 1HE2 GLN 143 4.046 11.165 8.835 226 2HE2 GLN 143 2HE2 GLN 143 4.099 10.392 10.345 227 H LEU 144 H LEU 144 8.122 12.719 6.741 228 HA LEU 144 HA LEU 144 10.344 13.564 8.486 229 1HB LEU 144 2HB LEU 144 9.959 11.433 6.363 230 2HB LEU 144 1HB LEU 144 11.445 11.619 7.295 231 HG LEU 144 HG LEU 144 8.684 11.074 8.422 232 1HD1 LEU 144 1HD1 LEU 144 9.823 9.139 7.337 233 2HD1 LEU 144 2HD1 LEU 144 9.644 8.924 9.078 234 3HD1 LEU 144 3HD1 LEU 144 11.206 9.388 8.403 235 1HD2 LEU 144 1HD2 LEU 144 9.627 12.267 10.157 236 2HD2 LEU 144 2HD2 LEU 144 11.276 11.924 9.633 237 3HD2 LEU 144 3HD2 LEU 144 10.350 10.694 10.494 238 H PHE 145 H PHE 145 9.243 14.169 5.252 239 HA PHE 145 HA PHE 145 11.742 14.731 3.967 240 1HB PHE 145 2HB PHE 145 9.595 14.381 2.819 241 2HB PHE 145 1HB PHE 145 8.949 15.847 3.557 242 HD1 PHE 145 1HD PHE 145 8.992 17.780 2.269 243 HD2 PHE 145 2HD PHE 145 11.990 14.771 1.630 244 HE1 PHE 145 1HE PHE 145 9.957 19.133 0.429 245 HE2 PHE 145 2HE PHE 145 12.956 16.124 -0.210 246 HZ PHE 145 HZ PHE 145 11.940 18.306 -0.811 247 H ASP 146 H ASP 146 12.965 16.623 3.891 248 HA ASP 146 HA ASP 146 11.943 19.032 5.329 249 1HB ASP 146 2HB ASP 146 14.614 17.657 5.768 250 2HB ASP 146 1HB ASP 146 14.081 19.140 6.562 251 HA PRO 147 HA PRO 147 13.726 20.839 1.699 252 1HB PRO 147 2HB PRO 147 13.392 23.455 2.424 253 2HB PRO 147 1HB PRO 147 12.058 22.432 1.859 254 1HG PRO 147 2HG PRO 147 12.786 23.232 4.626 255 2HG PRO 147 1HG PRO 147 11.189 23.014 3.895 256 1HD PRO 147 2HD PRO 147 12.386 21.183 5.547 257 2HD PRO 147 1HD PRO 147 11.154 20.777 4.331 258 H MET 148 H MET 148 14.980 20.998 4.863 259 HA MET 148 HA MET 148 17.153 22.874 4.422 260 1HB MET 148 2HB MET 148 17.973 21.814 6.552 261 2HB MET 148 1HB MET 148 16.296 22.353 6.639 262 1HG MET 148 2HG MET 148 15.737 20.261 7.253 263 2HG MET 148 1HG MET 148 16.171 19.736 5.626 264 1HE MET 148 1HE MET 148 17.361 19.361 9.519 265 2HE MET 148 2HE MET 148 17.415 20.980 8.824 266 3HE MET 148 3HE MET 148 18.917 20.143 9.209 267 H THR 149 H THR 149 16.645 19.506 3.666 268 HA THR 149 HA THR 149 19.513 19.316 2.798 269 HB THR 149 HB THR 149 19.142 17.949 4.761 270 HG1 THR 149 1HG THR 149 19.842 16.103 3.913 271 1HG2 THR 149 1HG2 THR 149 16.965 17.451 5.151 272 2HG2 THR 149 2HG2 THR 149 17.265 16.039 4.139 273 3HG2 THR 149 3HG2 THR 149 16.556 17.492 3.437 274 H GLY 150 H GLY 150 16.204 19.099 1.909 275 1HA GLY 150 2HA GLY 150 15.289 18.772 -0.245 276 2HA GLY 150 1HA GLY 150 16.918 18.453 -0.845 277 H THR 151 H THR 151 15.743 16.716 1.933 278 HA THR 151 HA THR 151 14.921 14.371 0.320 279 HB THR 151 HB THR 151 16.901 13.550 2.260 280 HG1 THR 151 1HG THR 151 18.056 15.332 2.048 281 1HG2 THR 151 1HG2 THR 151 17.808 12.374 0.389 282 2HG2 THR 151 2HG2 THR 151 17.076 13.499 -0.756 283 3HG2 THR 151 3HG2 THR 151 16.059 12.386 0.158 284 H PHE 152 H PHE 152 15.217 12.520 2.500 285 HA PHE 152 HA PHE 152 13.192 13.637 4.408 286 1HB PHE 152 2HB PHE 152 13.788 10.799 3.505 287 2HB PHE 152 1HB PHE 152 12.487 11.268 4.600 288 HD1 PHE 152 1HD PHE 152 10.404 11.985 3.756 289 HD2 PHE 152 2HD PHE 152 13.824 11.861 1.161 290 HE1 PHE 152 1HE PHE 152 8.948 12.490 1.813 291 HE2 PHE 152 2HE PHE 152 12.370 12.365 -0.783 292 HZ PHE 152 HZ PHE 152 9.930 12.680 -0.457 293 H ARG 153 H ARG 153 13.618 13.434 6.629 294 HA ARG 153 HA ARG 153 16.302 12.304 7.342 295 1HB ARG 153 2HB ARG 153 14.705 14.698 8.159 296 2HB ARG 153 1HB ARG 153 15.774 13.971 9.362 297 1HG ARG 153 2HG ARG 153 17.373 14.018 7.116 298 2HG ARG 153 1HG ARG 153 16.447 15.511 6.947 299 1HD ARG 153 2HD ARG 153 17.447 16.482 8.767 300 2HD ARG 153 1HD ARG 153 17.493 14.957 9.674 301 HE ARG 153 HE ARG 153 19.310 14.342 7.853 302 1HH1 ARG 153 1HH2 ARG 153 19.627 16.296 10.408 303 2HH1 ARG 153 2HH2 ARG 153 20.853 17.335 9.762 304 1HH2 ARG 153 1HH1 ARG 153 20.505 16.168 6.516 305 2HH2 ARG 153 2HH1 ARG 153 21.349 17.264 7.559 306 H CYS 154 H CYS 154 16.402 10.823 8.995 307 HA CYS 154 HA CYS 154 14.323 9.130 9.723 308 1HB CYS 154 2HB CYS 154 16.853 9.053 10.135 309 2HB CYS 154 1HB CYS 154 16.540 10.033 11.566 310 H THR 155 H THR 155 13.476 8.959 12.135 311 HA THR 155 HA THR 155 12.496 11.673 12.955 312 HB THR 155 HB THR 155 10.887 9.442 13.869 313 HG1 THR 155 1HG THR 155 10.255 8.752 11.782 314 1HG2 THR 155 1HG2 THR 155 10.568 11.925 12.228 315 2HG2 THR 155 2HG2 THR 155 9.777 11.474 13.737 316 3HG2 THR 155 3HG2 THR 155 9.272 10.729 12.222 317 H PHE 156 H PHE 156 14.099 8.760 13.982 318 HA PHE 156 HA PHE 156 13.930 9.684 16.813 319 1HB PHE 156 2HB PHE 156 14.987 7.095 16.760 320 2HB PHE 156 1HB PHE 156 13.351 7.547 17.210 321 HD1 PHE 156 1HD PHE 156 11.519 6.833 15.929 322 HD2 PHE 156 2HD PHE 156 15.466 6.706 14.243 323 HE1 PHE 156 1HE PHE 156 10.632 5.633 13.948 324 HE2 PHE 156 2HE PHE 156 14.580 5.516 12.264 325 HZ PHE 156 HZ PHE 156 12.165 4.973 12.112 326 H CYS 157 H CYS 157 16.143 8.485 14.320 327 HA CYS 157 HA CYS 157 18.403 9.503 15.995 328 1HB CYS 157 2HB CYS 157 19.536 7.613 15.419 329 2HB CYS 157 1HB CYS 157 17.946 6.992 15.008 330 H HIS 158 H HIS 158 16.515 10.812 13.987 331 HA HIS 158 HA HIS 158 16.612 12.193 12.047 332 1HB HIS 158 2HB HIS 158 18.477 12.970 14.226 333 2HB HIS 158 1HB HIS 158 18.561 13.900 12.730 334 HD1 HIS 158 1HD HIS 158 16.288 15.044 11.924 335 HD2 HIS 158 2HD HIS 158 16.210 13.497 15.794 336 HE1 HIS 158 1HE HIS 158 14.261 16.052 13.059 337 H THR 159 H THR 159 18.321 9.738 11.575 338 HA THR 159 HA THR 159 20.696 10.825 10.193 339 HB THR 159 HB THR 159 19.459 8.099 10.606 340 HG1 THR 159 1HG THR 159 20.971 9.489 12.068 341 1HG2 THR 159 1HG2 THR 159 20.480 8.338 8.294 342 2HG2 THR 159 2HG2 THR 159 21.230 7.108 9.307 343 3HG2 THR 159 3HG2 THR 159 22.018 8.670 9.092 344 H GLU 160 H GLU 160 20.929 10.718 7.862 345 HA GLU 160 HA GLU 160 18.601 11.384 6.336 346 1HB GLU 160 2HB GLU 160 21.413 11.279 6.061 347 2HB GLU 160 1HB GLU 160 20.762 10.293 4.750 348 1HG GLU 160 2HG GLU 160 19.068 12.361 4.563 349 2HG GLU 160 1HG GLU 160 20.447 13.214 5.259 350 H VAL 161 H VAL 161 17.014 10.004 5.659 351 HA VAL 161 HA VAL 161 17.447 7.089 5.725 352 HB VAL 161 HB VAL 161 15.005 7.094 5.236 353 1HG1 VAL 161 1HG1 VAL 161 14.561 8.883 7.251 354 2HG1 VAL 161 2HG1 VAL 161 16.285 8.569 7.459 355 3HG1 VAL 161 3HG1 VAL 161 15.131 7.235 7.508 356 1HG2 VAL 161 1HG2 VAL 161 15.634 9.668 4.193 357 2HG2 VAL 161 2HG2 VAL 161 14.531 9.912 5.547 358 3HG2 VAL 161 3HG2 VAL 161 14.064 8.865 4.208 359 H GLU 162 H GLU 162 16.640 5.796 3.788 360 HA GLU 162 HA GLU 162 17.098 7.187 1.181 361 1HB GLU 162 2HB GLU 162 18.591 4.920 2.459 362 2HB GLU 162 1HB GLU 162 18.419 4.932 0.704 363 1HG GLU 162 2HG GLU 162 19.151 7.562 1.701 364 2HG GLU 162 1HG GLU 162 20.325 6.343 2.198 365 H GLU 163 H GLU 163 15.721 6.429 -0.428 366 HA GLU 163 HA GLU 163 13.363 5.053 0.046 367 1HB GLU 163 2HB GLU 163 15.147 5.566 -2.273 368 2HB GLU 163 1HB GLU 163 13.933 4.306 -2.506 369 1HG GLU 163 2HG GLU 163 12.467 6.269 -1.265 370 2HG GLU 163 1HG GLU 163 13.585 7.219 -2.244 371 H ASP 164 H ASP 164 12.802 2.912 0.373 372 HA ASP 164 HA ASP 164 15.000 0.924 0.541 373 1HB ASP 164 2HB ASP 164 13.188 1.454 2.312 374 2HB ASP 164 1HB ASP 164 12.088 0.563 1.259 375 H GLU 165 H GLU 165 15.332 -0.446 -1.158 376 HA GLU 165 HA GLU 165 13.264 -0.709 -3.265 377 1HB GLU 165 2HB GLU 165 16.159 -0.892 -2.962 378 2HB GLU 165 1HB GLU 165 15.516 -2.261 -3.870 379 1HG GLU 165 2HG GLU 165 16.005 -0.496 -5.448 380 2HG GLU 165 1HG GLU 165 14.250 -0.619 -5.302 381 H SER 166 H SER 166 13.540 -2.127 -0.393 382 HA SER 166 HA SER 166 12.237 -4.603 -1.245 383 1HB SER 166 2HB SER 166 14.590 -5.117 -1.703 384 2HB SER 166 1HB SER 166 15.041 -4.608 -0.078 385 HG SER 166 HG SER 166 14.041 -6.357 0.753 386 H ALA 167 H ALA 167 10.893 -3.087 0.322 387 HA ALA 167 HA ALA 167 11.620 -3.485 3.177 388 1HB ALA 167 1HB ALA 167 9.924 -1.803 3.552 389 2HB ALA 167 2HB ALA 167 9.288 -2.009 1.920 390 3HB ALA 167 3HB ALA 167 10.877 -1.283 2.162 391 H MET 168 H MET 168 11.002 -5.923 2.041 392 HA MET 168 HA MET 168 8.385 -6.545 3.329 393 1HB MET 168 2HB MET 168 9.201 -6.852 0.462 394 2HB MET 168 1HB MET 168 8.138 -8.073 1.163 395 1HG MET 168 2HG MET 168 6.765 -6.028 2.029 396 2HG MET 168 1HG MET 168 7.639 -5.128 0.791 397 1HE MET 168 1HE MET 168 5.661 -5.537 -2.183 398 2HE MET 168 2HE MET 168 7.280 -5.170 -1.591 399 3HE MET 168 3HE MET 168 5.878 -4.451 -0.802 400 HA PRO 169 HA PRO 169 11.567 -9.585 4.516 401 1HB PRO 169 2HB PRO 169 10.550 -9.996 7.025 402 2HB PRO 169 1HB PRO 169 11.648 -8.657 6.634 403 1HG PRO 169 2HG PRO 169 8.694 -8.642 6.977 404 2HG PRO 169 1HG PRO 169 9.893 -7.425 7.438 405 1HD PRO 169 2HD PRO 169 8.294 -7.237 5.223 406 2HD PRO 169 1HD PRO 169 9.875 -6.442 5.380 407 H LYS 170 H LYS 170 8.738 -10.416 6.420 408 HA LYS 170 HA LYS 170 7.624 -12.287 4.473 409 1HB LYS 170 2HB LYS 170 9.876 -13.209 5.392 410 2HB LYS 170 1HB LYS 170 8.982 -13.484 6.888 411 1HG LYS 170 2HG LYS 170 7.471 -14.988 5.835 412 2HG LYS 170 1HG LYS 170 7.972 -14.483 4.222 413 1HD LYS 170 2HD LYS 170 9.501 -16.130 4.208 414 2HD LYS 170 1HD LYS 170 10.312 -15.356 5.570 415 1HE LYS 170 2HE LYS 170 9.121 -16.651 7.167 416 2HE LYS 170 1HE LYS 170 7.906 -17.150 5.973 417 1HZ LYS 170 1HZ LYS 170 9.439 -18.933 6.168 418 2HZ LYS 170 2HZ LYS 170 10.779 -17.894 6.050 419 3HZ LYS 170 3HZ LYS 170 9.786 -18.163 4.697 420 H LYS 171 H LYS 171 5.484 -12.416 5.016 421 HA LYS 171 HA LYS 171 4.574 -12.869 7.738 422 1HB LYS 171 2HB LYS 171 5.244 -10.488 7.831 423 2HB LYS 171 1HB LYS 171 4.181 -10.138 6.468 424 1HG LYS 171 2HG LYS 171 3.059 -9.566 8.573 425 2HG LYS 171 1HG LYS 171 2.241 -10.925 7.802 426 1HD LYS 171 2HD LYS 171 3.121 -12.485 9.326 427 2HD LYS 171 1HD LYS 171 4.422 -11.402 9.823 428 1HE LYS 171 2HE LYS 171 1.613 -10.480 10.294 429 2HE LYS 171 1HE LYS 171 2.267 -11.734 11.365 430 1HZ LYS 171 1HZ LYS 171 3.706 -9.229 10.679 431 2HZ LYS 171 2HZ LYS 171 4.164 -10.392 11.829 432 3HZ LYS 171 3HZ LYS 171 2.790 -9.427 12.092 433 H ASP 172 H ASP 172 3.191 -10.978 5.034 434 HA ASP 172 HA ASP 172 0.615 -12.047 5.043 435 1HB ASP 172 2HB ASP 172 1.492 -10.147 3.686 436 2HB ASP 172 1HB ASP 172 2.321 -11.305 2.644 437 H ALA 173 H ALA 173 -0.198 -14.065 4.600 438 HA ALA 173 HA ALA 173 -0.231 -16.343 3.959 439 1HB ALA 173 1HB ALA 173 1.294 -14.949 1.742 440 2HB ALA 173 2HB ALA 173 -0.428 -15.326 1.785 441 3HB ALA 173 3HB ALA 173 0.756 -16.623 1.625 442 H ARG 174 H ARG 174 2.867 -15.883 2.381 443 HA ARG 174 HA ARG 174 4.323 -17.130 4.657 444 1HB ARG 174 2HB ARG 174 3.912 -18.291 1.889 445 2HB ARG 174 1HB ARG 174 5.180 -18.854 2.980 446 1HG ARG 174 2HG ARG 174 3.395 -19.275 4.711 447 2HG ARG 174 1HG ARG 174 2.191 -18.911 3.473 448 1HD ARG 174 2HD ARG 174 2.305 -21.136 2.974 449 2HD ARG 174 1HD ARG 174 3.856 -20.742 2.203 450 HE ARG 174 HE ARG 174 4.007 -21.142 5.109 451 1HH1 ARG 174 1HH2 ARG 174 3.722 -22.828 2.144 452 2HH1 ARG 174 2HH2 ARG 174 4.917 -24.018 2.538 453 1HH2 ARG 174 1HH1 ARG 174 5.775 -22.542 5.556 454 2HH2 ARG 174 2HH1 ARG 174 6.078 -23.856 4.469 Start of MODEL 3 1 1H ARG 113 1HT ARG 113 -24.413 -4.188 -8.018 2 2H ARG 113 2HT ARG 113 -23.659 -2.690 -7.744 3 3H ARG 113 3HT ARG 113 -23.765 -3.834 -6.491 4 HA ARG 113 HA ARG 113 -22.042 -5.081 -7.267 5 1HB ARG 113 2HB ARG 113 -23.017 -4.079 -9.958 6 2HB ARG 113 1HB ARG 113 -21.644 -5.170 -9.765 7 1HG ARG 113 2HG ARG 113 -23.008 -6.943 -9.512 8 2HG ARG 113 1HG ARG 113 -23.914 -6.123 -8.241 9 1HD ARG 113 2HD ARG 113 -25.484 -6.550 -10.020 10 2HD ARG 113 1HD ARG 113 -25.089 -4.823 -10.124 11 HE ARG 113 HE ARG 113 -23.297 -6.550 -11.674 12 1HH1 ARG 113 1HH2 ARG 113 -26.361 -6.644 -12.417 13 2HH1 ARG 113 2HH2 ARG 113 -26.356 -5.550 -13.759 14 1HH2 ARG 113 1HH1 ARG 113 -23.204 -4.286 -13.055 15 2HH2 ARG 113 2HH1 ARG 113 -24.568 -4.214 -14.120 16 H ILE 114 H ILE 114 -20.207 -4.079 -6.540 17 HA ILE 114 HA ILE 114 -19.600 -1.295 -7.099 18 HB ILE 114 HB ILE 114 -19.046 -2.525 -5.011 19 1HG1 ILE 114 2HG1 ILE 114 -16.369 -1.871 -6.151 20 2HG1 ILE 114 1HG1 ILE 114 -17.587 -0.596 -6.193 21 1HG2 ILE 114 1HG2 ILE 114 -17.363 -4.112 -6.946 22 2HG2 ILE 114 2HG2 ILE 114 -18.487 -4.703 -5.722 23 3HG2 ILE 114 3HG2 ILE 114 -16.934 -4.020 -5.238 24 1HD1 ILE 114 1HD1 ILE 114 -16.386 -0.393 -4.104 25 2HD1 ILE 114 2HD1 ILE 114 -16.612 -2.107 -3.754 26 3HD1 ILE 114 3HD1 ILE 114 -17.996 -1.013 -3.740 27 H GLU 115 H GLU 115 -17.533 -0.610 -8.148 28 HA GLU 115 HA GLU 115 -16.654 -2.503 -10.306 29 1HB GLU 115 2HB GLU 115 -18.081 -0.029 -10.449 30 2HB GLU 115 1HB GLU 115 -16.475 0.234 -11.130 31 1HG GLU 115 2HG GLU 115 -17.521 -2.311 -12.016 32 2HG GLU 115 1HG GLU 115 -18.665 -1.020 -12.388 33 H THR 116 H THR 116 -15.729 -0.646 -7.660 34 HA THR 116 HA THR 116 -13.072 0.124 -8.710 35 HB THR 116 HB THR 116 -13.168 0.577 -5.966 36 HG1 THR 116 1HG THR 116 -15.248 0.082 -5.671 37 1HG2 THR 116 1HG2 THR 116 -14.423 2.680 -7.580 38 2HG2 THR 116 2HG2 THR 116 -12.945 2.037 -8.297 39 3HG2 THR 116 3HG2 THR 116 -12.914 2.713 -6.668 40 H ASP 117 H ASP 117 -11.486 -0.333 -6.469 41 HA ASP 117 HA ASP 117 -11.658 -3.204 -5.765 42 1HB ASP 117 2HB ASP 117 -9.874 -1.987 -7.801 43 2HB ASP 117 1HB ASP 117 -9.098 -3.114 -6.687 44 H GLU 118 H GLU 118 -11.485 -0.399 -4.494 45 HA GLU 118 HA GLU 118 -10.555 0.432 -2.481 46 1HB GLU 118 2HB GLU 118 -10.541 -2.317 -2.340 47 2HB GLU 118 1HB GLU 118 -8.840 -1.933 -2.074 48 1HG GLU 118 2HG GLU 118 -9.370 -0.496 -0.219 49 2HG GLU 118 1HG GLU 118 -11.096 -0.579 -0.575 50 H ARG 119 H ARG 119 -8.924 1.933 -2.451 51 HA ARG 119 HA ARG 119 -6.610 1.599 -4.259 52 1HB ARG 119 2HB ARG 119 -7.960 3.699 -4.066 53 2HB ARG 119 1HB ARG 119 -7.424 3.851 -2.392 54 1HG ARG 119 2HG ARG 119 -5.559 4.882 -3.104 55 2HG ARG 119 1HG ARG 119 -5.102 3.416 -3.971 56 1HD ARG 119 2HD ARG 119 -6.888 5.624 -5.060 57 2HD ARG 119 1HD ARG 119 -5.214 5.298 -5.551 58 HE ARG 119 HE ARG 119 -6.411 2.851 -5.885 59 1HH1 ARG 119 1HH1 ARG 119 -5.671 4.897 -8.100 60 2HH1 ARG 119 2HH1 ARG 119 -7.153 4.924 -8.996 61 1HH2 ARG 119 1HH2 ARG 119 -9.000 3.378 -6.501 62 2HH2 ARG 119 2HH2 ARG 119 -9.037 4.062 -8.092 63 H ASP 120 H ASP 120 -6.869 2.771 -0.890 64 HA ASP 120 HA ASP 120 -5.259 2.630 0.852 65 1HB ASP 120 2HB ASP 120 -5.158 0.361 1.601 66 2HB ASP 120 1HB ASP 120 -6.684 0.505 0.731 67 H SER 121 H SER 121 -4.048 3.269 -1.744 68 HA SER 121 HA SER 121 -1.712 1.623 -2.198 69 1HB SER 121 2HB SER 121 -2.972 3.362 -3.686 70 2HB SER 121 1HB SER 121 -1.968 4.553 -2.864 71 HG SER 121 HG SER 121 -1.256 3.288 -4.928 72 H THR 122 H THR 122 -1.175 1.580 0.256 73 HA THR 122 HA THR 122 0.191 4.042 1.208 74 HB THR 122 HB THR 122 -1.418 2.688 2.602 75 HG1 THR 122 1HG THR 122 -0.170 2.892 4.400 76 1HG2 THR 122 1HG2 THR 122 -1.181 0.459 2.742 77 2HG2 THR 122 2HG2 THR 122 0.456 0.645 3.368 78 3HG2 THR 122 3HG2 THR 122 0.182 0.563 1.629 79 H ASN 123 H ASN 123 0.896 0.933 -0.174 80 HA ASN 123 HA ASN 123 3.705 0.931 0.750 81 1HB ASN 123 2HB ASN 123 1.931 -1.023 0.270 82 2HB ASN 123 1HB ASN 123 2.634 -0.914 -1.345 83 1HD2 ASN 123 1HD2 ASN 123 5.132 -1.005 -1.388 84 2HD2 ASN 123 2HD2 ASN 123 5.894 -2.009 -0.251 85 H ARG 124 H ARG 124 2.837 3.180 -0.926 86 HA ARG 124 HA ARG 124 3.962 2.658 -3.609 87 1HB ARG 124 2HB ARG 124 1.931 4.053 -3.177 88 2HB ARG 124 1HB ARG 124 2.942 5.193 -2.291 89 1HG ARG 124 2HG ARG 124 2.586 5.911 -4.642 90 2HG ARG 124 1HG ARG 124 4.288 5.600 -4.299 91 1HD ARG 124 2HD ARG 124 4.360 4.013 -5.910 92 2HD ARG 124 1HD ARG 124 2.995 3.155 -5.167 93 HE ARG 124 HE ARG 124 1.939 5.464 -6.416 94 1HH1 ARG 124 1HH2 ARG 124 4.249 4.124 -8.179 95 2HH1 ARG 124 2HH2 ARG 124 3.249 3.303 -9.330 96 1HH2 ARG 124 1HH1 ARG 124 0.336 3.728 -7.500 97 2HH2 ARG 124 2HH1 ARG 124 1.036 3.079 -8.946 98 H ALA 125 H ALA 125 4.905 4.128 -0.564 99 HA ALA 125 HA ALA 125 7.600 4.694 -1.743 100 1HB ALA 125 1HB ALA 125 6.273 6.471 0.300 101 2HB ALA 125 2HB ALA 125 5.938 6.675 -1.420 102 3HB ALA 125 3HB ALA 125 7.584 6.864 -0.814 103 H SER 126 H SER 126 9.323 4.226 -0.342 104 HA SER 126 HA SER 126 8.768 3.599 2.496 105 1HB SER 126 2HB SER 126 8.231 1.504 1.507 106 2HB SER 126 1HB SER 126 9.559 1.619 0.357 107 HG SER 126 HG SER 126 9.560 0.928 3.064 108 H PHE 127 H PHE 127 10.383 4.843 3.393 109 HA PHE 127 HA PHE 127 13.079 4.836 2.099 110 1HB PHE 127 2HB PHE 127 11.905 6.627 4.244 111 2HB PHE 127 1HB PHE 127 13.388 6.909 3.335 112 HD1 PHE 127 1HD PHE 127 9.830 7.378 3.415 113 HD2 PHE 127 2HD PHE 127 13.207 7.119 0.773 114 HE1 PHE 127 1HE PHE 127 8.525 8.512 1.637 115 HE2 PHE 127 2HE PHE 127 11.902 8.253 -1.006 116 HZ PHE 127 HZ PHE 127 9.561 8.948 -0.573 117 H LYS 128 H LYS 128 14.822 3.985 3.221 118 HA LYS 128 HA LYS 128 14.275 2.916 5.955 119 1HB LYS 128 2HB LYS 128 14.631 1.100 4.507 120 2HB LYS 128 1HB LYS 128 15.853 1.963 3.577 121 1HG LYS 128 2HG LYS 128 17.531 1.417 5.023 122 2HG LYS 128 1HG LYS 128 16.496 1.589 6.441 123 1HD LYS 128 2HD LYS 128 15.728 -0.664 4.726 124 2HD LYS 128 1HD LYS 128 17.360 -0.814 5.380 125 1HE LYS 128 2HE LYS 128 16.344 -1.596 7.265 126 2HE LYS 128 1HE LYS 128 15.882 0.092 7.561 127 1HZ LYS 128 1HZ LYS 128 13.896 -0.222 6.267 128 2HZ LYS 128 2HZ LYS 128 13.949 -1.414 7.476 129 3HZ LYS 128 3HZ LYS 128 14.344 -1.809 5.873 130 H CYS 129 H CYS 129 15.911 3.223 7.542 131 HA CYS 129 HA CYS 129 17.762 5.469 6.979 132 1HB CYS 129 2HB CYS 129 16.163 5.525 8.878 133 2HB CYS 129 1HB CYS 129 16.923 4.082 9.541 134 HA PRO 130 HA PRO 130 21.064 2.498 6.817 135 1HB PRO 130 2HB PRO 130 23.098 4.294 6.515 136 2HB PRO 130 1HB PRO 130 21.993 3.856 5.199 137 1HG PRO 130 2HG PRO 130 22.051 6.290 6.886 138 2HG PRO 130 1HG PRO 130 21.583 6.098 5.191 139 1HD PRO 130 2HD PRO 130 19.825 6.347 7.318 140 2HD PRO 130 1HD PRO 130 19.417 5.684 5.722 141 H VAL 131 H VAL 131 20.622 4.906 9.253 142 HA VAL 131 HA VAL 131 23.014 4.046 10.768 143 HB VAL 131 HB VAL 131 20.970 6.238 10.946 144 1HG1 VAL 131 1HG1 VAL 131 21.072 5.574 13.237 145 2HG1 VAL 131 2HG1 VAL 131 22.198 6.922 13.088 146 3HG1 VAL 131 3HG1 VAL 131 22.806 5.268 13.145 147 1HG2 VAL 131 1HG2 VAL 131 23.048 6.471 9.577 148 2HG2 VAL 131 2HG2 VAL 131 24.005 6.204 11.033 149 3HG2 VAL 131 3HG2 VAL 131 22.982 7.634 10.901 150 H CYS 132 H CYS 132 19.681 4.675 11.892 151 HA CYS 132 HA CYS 132 19.971 2.477 13.831 152 1HB CYS 132 2HB CYS 132 17.992 3.409 14.799 153 2HB CYS 132 1HB CYS 132 18.950 4.777 14.238 154 H SER 133 H SER 133 19.539 2.222 10.733 155 HA SER 133 HA SER 133 18.413 0.766 9.267 156 1HB SER 133 2HB SER 133 17.851 -1.435 10.679 157 2HB SER 133 1HB SER 133 19.505 -0.982 10.286 158 HG SER 133 HG SER 133 19.847 -0.473 12.318 159 H SER 134 H SER 134 16.637 2.706 10.755 160 HA SER 134 HA SER 134 14.171 1.201 11.278 161 1HB SER 134 2HB SER 134 15.048 4.080 11.208 162 2HB SER 134 1HB SER 134 13.340 3.676 11.347 163 HG SER 134 HG SER 134 13.925 2.383 13.178 164 H THR 135 H THR 135 12.217 2.711 10.024 165 HA THR 135 HA THR 135 12.859 3.048 7.175 166 HB THR 135 HB THR 135 10.871 0.908 7.943 167 HG1 THR 135 1HG THR 135 12.553 -0.158 8.605 168 1HG2 THR 135 1HG2 THR 135 12.089 0.285 5.541 169 2HG2 THR 135 2HG2 THR 135 12.005 2.045 5.490 170 3HG2 THR 135 3HG2 THR 135 10.533 1.098 5.714 171 H PHE 136 H PHE 136 10.927 3.781 5.950 172 HA PHE 136 HA PHE 136 8.592 4.628 7.583 173 1HB PHE 136 2HB PHE 136 10.236 6.559 5.923 174 2HB PHE 136 1HB PHE 136 8.942 6.952 7.053 175 HD1 PHE 136 1HD PHE 136 12.427 5.740 6.756 176 HD2 PHE 136 2HD PHE 136 9.317 7.009 9.433 177 HE1 PHE 136 1HE PHE 136 14.076 5.883 8.604 178 HE2 PHE 136 2HE PHE 136 10.965 7.152 11.281 179 HZ PHE 136 HZ PHE 136 13.345 6.589 10.866 180 H THR 137 H THR 137 6.994 5.811 6.004 181 HA THR 137 HA THR 137 7.166 4.605 3.261 182 HB THR 137 HB THR 137 4.475 4.640 3.939 183 HG1 THR 137 1HG THR 137 5.234 5.105 6.115 184 1HG2 THR 137 1HG2 THR 137 5.315 2.097 4.629 185 2HG2 THR 137 2HG2 THR 137 6.621 2.676 3.595 186 3HG2 THR 137 3HG2 THR 137 4.964 2.648 2.991 187 H ASP 138 H ASP 138 5.031 5.661 2.055 188 HA ASP 138 HA ASP 138 5.649 8.357 1.521 189 1HB ASP 138 2HB ASP 138 3.213 8.323 0.640 190 2HB ASP 138 1HB ASP 138 4.335 7.134 -0.021 191 H LEU 139 H LEU 139 3.058 7.083 3.660 192 HA LEU 139 HA LEU 139 1.961 9.519 4.535 193 1HB LEU 139 2HB LEU 139 1.140 8.217 6.372 194 2HB LEU 139 1HB LEU 139 1.305 7.086 5.029 195 HG LEU 139 HG LEU 139 3.808 6.992 6.170 196 1HD1 LEU 139 1HD1 LEU 139 3.436 6.730 8.594 197 2HD1 LEU 139 2HD1 LEU 139 1.749 7.199 8.387 198 3HD1 LEU 139 3HD1 LEU 139 3.032 8.365 8.071 199 1HD2 LEU 139 1HD2 LEU 139 2.559 4.921 7.409 200 2HD2 LEU 139 2HD2 LEU 139 2.984 4.910 5.697 201 3HD2 LEU 139 3HD2 LEU 139 1.347 5.335 6.197 202 H GLU 140 H GLU 140 5.074 8.121 5.212 203 HA GLU 140 HA GLU 140 5.587 10.003 7.460 204 1HB GLU 140 2HB GLU 140 7.156 7.725 6.205 205 2HB GLU 140 1HB GLU 140 7.679 8.634 7.624 206 1HG GLU 140 2HG GLU 140 5.118 7.945 8.326 207 2HG GLU 140 1HG GLU 140 5.623 6.535 7.394 208 H ALA 141 H ALA 141 6.249 9.540 4.072 209 HA ALA 141 HA ALA 141 8.647 11.090 3.817 210 1HB ALA 141 1HB ALA 141 8.300 10.631 1.596 211 2HB ALA 141 2HB ALA 141 6.621 11.168 1.652 212 3HB ALA 141 3HB ALA 141 7.050 9.555 2.221 213 H ASN 142 H ASN 142 5.336 11.980 4.378 214 HA ASN 142 HA ASN 142 5.710 14.768 3.463 215 1HB ASN 142 2HB ASN 142 3.451 13.195 4.736 216 2HB ASN 142 1HB ASN 142 3.312 14.894 4.282 217 1HD2 ASN 142 1HD2 ASN 142 3.537 11.606 3.014 218 2HD2 ASN 142 2HD2 ASN 142 3.220 12.014 1.396 219 H GLN 143 H GLN 143 6.302 12.967 6.296 220 HA GLN 143 HA GLN 143 6.169 15.456 7.970 221 1HB GLN 143 2HB GLN 143 5.720 13.971 9.841 222 2HB GLN 143 1HB GLN 143 4.617 13.547 8.531 223 1HG GLN 143 2HG GLN 143 6.205 11.750 7.831 224 2HG GLN 143 1HG GLN 143 7.203 12.129 9.234 225 1HE2 GLN 143 1HE2 GLN 143 6.634 9.764 9.801 226 2HE2 GLN 143 2HE2 GLN 143 5.186 9.492 10.643 227 H LEU 144 H LEU 144 8.196 13.003 6.648 228 HA LEU 144 HA LEU 144 10.380 13.581 8.601 229 1HB LEU 144 2HB LEU 144 10.097 11.516 6.390 230 2HB LEU 144 1HB LEU 144 11.393 11.571 7.586 231 HG LEU 144 HG LEU 144 8.443 11.138 8.133 232 1HD1 LEU 144 1HD1 LEU 144 9.105 8.939 8.838 233 2HD1 LEU 144 2HD1 LEU 144 10.816 9.354 8.726 234 3HD1 LEU 144 3HD1 LEU 144 9.846 9.209 7.260 235 1HD2 LEU 144 1HD2 LEU 144 9.714 10.669 10.491 236 2HD2 LEU 144 2HD2 LEU 144 8.980 12.218 10.078 237 3HD2 LEU 144 3HD2 LEU 144 10.711 11.975 9.851 238 H PHE 145 H PHE 145 9.263 14.538 5.543 239 HA PHE 145 HA PHE 145 11.709 14.858 4.081 240 1HB PHE 145 2HB PHE 145 9.335 14.938 3.240 241 2HB PHE 145 1HB PHE 145 9.177 16.524 3.996 242 HD1 PHE 145 1HD PHE 145 10.431 14.679 1.144 243 HD2 PHE 145 2HD PHE 145 10.729 18.393 3.281 244 HE1 PHE 145 1HE PHE 145 11.491 15.733 -0.835 245 HE2 PHE 145 2HE PHE 145 11.788 19.447 1.303 246 HZ PHE 145 HZ PHE 145 12.169 18.117 -0.755 247 H ASP 146 H ASP 146 12.977 16.793 3.795 248 HA ASP 146 HA ASP 146 12.611 18.906 5.886 249 1HB ASP 146 2HB ASP 146 14.894 17.068 5.311 250 2HB ASP 146 1HB ASP 146 15.290 18.726 5.766 251 HA PRO 147 HA PRO 147 13.095 21.376 2.225 252 1HB PRO 147 2HB PRO 147 13.047 23.810 3.475 253 2HB PRO 147 1HB PRO 147 11.588 22.841 3.188 254 1HG PRO 147 2HG PRO 147 13.182 23.168 5.676 255 2HG PRO 147 1HG PRO 147 11.430 23.032 5.467 256 1HD PRO 147 2HD PRO 147 13.029 20.972 6.295 257 2HD PRO 147 1HD PRO 147 11.482 20.747 5.451 258 H MET 148 H MET 148 15.292 21.051 4.814 259 HA MET 148 HA MET 148 17.269 22.968 3.719 260 1HB MET 148 2HB MET 148 18.544 22.253 5.727 261 2HB MET 148 1HB MET 148 16.902 22.741 6.146 262 1HG MET 148 2HG MET 148 16.200 20.541 6.515 263 2HG MET 148 1HG MET 148 17.483 19.860 5.516 264 1HE MET 148 1HE MET 148 17.089 22.167 8.836 265 2HE MET 148 2HE MET 148 17.399 20.802 9.908 266 3HE MET 148 3HE MET 148 16.113 20.697 8.709 267 H THR 149 H THR 149 16.596 19.518 3.751 268 HA THR 149 HA THR 149 19.183 19.027 2.312 269 HB THR 149 HB THR 149 19.012 17.826 4.402 270 HG1 THR 149 1HG THR 149 19.836 16.448 2.971 271 1HG2 THR 149 1HG2 THR 149 16.203 17.616 3.575 272 2HG2 THR 149 2HG2 THR 149 16.904 17.600 5.193 273 3HG2 THR 149 3HG2 THR 149 16.856 16.118 4.240 274 H GLY 150 H GLY 150 15.793 19.183 1.950 275 1HA GLY 150 2HA GLY 150 14.435 18.752 0.083 276 2HA GLY 150 1HA GLY 150 15.909 18.431 -0.830 277 H THR 151 H THR 151 15.842 16.547 1.962 278 HA THR 151 HA THR 151 14.607 14.247 0.478 279 HB THR 151 HB THR 151 16.552 13.126 2.047 280 HG1 THR 151 1HG THR 151 17.347 15.125 2.688 281 1HG2 THR 151 1HG2 THR 151 17.434 12.506 0.040 282 2HG2 THR 151 2HG2 THR 151 17.526 14.168 -0.544 283 3HG2 THR 151 3HG2 THR 151 15.996 13.295 -0.610 284 H PHE 152 H PHE 152 14.640 12.333 2.384 285 HA PHE 152 HA PHE 152 12.866 13.454 4.497 286 1HB PHE 152 2HB PHE 152 13.454 10.590 3.678 287 2HB PHE 152 1HB PHE 152 12.107 11.145 4.673 288 HD1 PHE 152 1HD PHE 152 10.204 12.310 3.695 289 HD2 PHE 152 2HD PHE 152 13.514 11.046 1.266 290 HE1 PHE 152 1HE PHE 152 8.863 12.725 1.651 291 HE2 PHE 152 2HE PHE 152 12.172 11.459 -0.778 292 HZ PHE 152 HZ PHE 152 9.846 12.300 -0.584 293 H ARG 153 H ARG 153 13.482 13.424 6.646 294 HA ARG 153 HA ARG 153 16.172 12.263 7.263 295 1HB ARG 153 2HB ARG 153 14.570 14.628 8.153 296 2HB ARG 153 1HB ARG 153 15.700 13.916 9.306 297 1HG ARG 153 2HG ARG 153 17.419 14.014 7.370 298 2HG ARG 153 1HG ARG 153 16.290 15.137 6.613 299 1HD ARG 153 2HD ARG 153 16.838 16.819 8.052 300 2HD ARG 153 1HD ARG 153 16.827 15.730 9.453 301 HE ARG 153 HE ARG 153 19.064 14.856 8.366 302 1HH1 ARG 153 1HH2 ARG 153 18.274 17.842 9.612 303 2HH1 ARG 153 2HH2 ARG 153 19.640 18.685 8.963 304 1HH2 ARG 153 1HH1 ARG 153 20.665 16.037 6.972 305 2HH2 ARG 153 2HH1 ARG 153 20.995 17.664 7.468 306 H CYS 154 H CYS 154 16.354 10.769 8.912 307 HA CYS 154 HA CYS 154 14.297 9.083 9.734 308 1HB CYS 154 2HB CYS 154 16.830 8.955 10.034 309 2HB CYS 154 1HB CYS 154 16.619 9.993 11.444 310 H THR 155 H THR 155 13.492 8.950 12.160 311 HA THR 155 HA THR 155 12.633 11.704 12.986 312 HB THR 155 HB THR 155 10.930 9.601 13.970 313 HG1 THR 155 1HG THR 155 10.244 8.938 11.823 314 1HG2 THR 155 1HG2 THR 155 10.164 11.862 13.659 315 2HG2 THR 155 2HG2 THR 155 9.277 10.847 12.520 316 3HG2 THR 155 3HG2 THR 155 10.623 11.838 11.956 317 H PHE 156 H PHE 156 14.194 8.771 14.010 318 HA PHE 156 HA PHE 156 14.075 9.724 16.837 319 1HB PHE 156 2HB PHE 156 15.046 7.113 16.830 320 2HB PHE 156 1HB PHE 156 13.414 7.611 17.243 321 HD1 PHE 156 1HD PHE 156 15.564 6.682 14.331 322 HD2 PHE 156 2HD PHE 156 11.588 6.907 15.935 323 HE1 PHE 156 1HE PHE 156 14.697 5.474 12.354 324 HE2 PHE 156 2HE PHE 156 10.719 5.694 13.954 325 HZ PHE 156 HZ PHE 156 12.275 4.975 12.162 326 H CYS 157 H CYS 157 16.206 8.638 14.246 327 HA CYS 157 HA CYS 157 18.513 9.540 15.922 328 1HB CYS 157 2HB CYS 157 19.584 7.602 15.403 329 2HB CYS 157 1HB CYS 157 17.977 7.019 15.001 330 H HIS 158 H HIS 158 16.661 10.861 13.905 331 HA HIS 158 HA HIS 158 16.788 12.197 11.931 332 1HB HIS 158 2HB HIS 158 18.986 12.998 13.845 333 2HB HIS 158 1HB HIS 158 18.444 14.019 12.512 334 HD1 HIS 158 1HD HIS 158 16.396 15.418 12.920 335 HD2 HIS 158 2HD HIS 158 16.776 12.359 15.726 336 HE1 HIS 158 1HE HIS 158 14.559 15.778 14.627 337 H THR 159 H THR 159 18.376 9.686 11.455 338 HA THR 159 HA THR 159 20.769 10.695 10.024 339 HB THR 159 HB THR 159 19.540 7.996 10.605 340 HG1 THR 159 1HG THR 159 21.781 9.473 11.412 341 1HG2 THR 159 1HG2 THR 159 22.183 8.245 9.221 342 2HG2 THR 159 2HG2 THR 159 20.718 8.323 8.248 343 3HG2 THR 159 3HG2 THR 159 21.050 6.897 9.223 344 H GLU 160 H GLU 160 20.766 11.045 7.813 345 HA GLU 160 HA GLU 160 18.466 11.371 6.263 346 1HB GLU 160 2HB GLU 160 20.790 12.106 5.734 347 2HB GLU 160 1HB GLU 160 21.211 10.434 5.364 348 1HG GLU 160 2HG GLU 160 19.116 10.597 3.756 349 2HG GLU 160 1HG GLU 160 19.455 12.326 3.843 350 H VAL 161 H VAL 161 17.036 9.953 5.318 351 HA VAL 161 HA VAL 161 17.589 7.041 5.526 352 HB VAL 161 HB VAL 161 15.143 6.938 4.961 353 1HG1 VAL 161 1HG1 VAL 161 15.399 9.004 7.111 354 2HG1 VAL 161 2HG1 VAL 161 16.246 7.472 7.327 355 3HG1 VAL 161 3HG1 VAL 161 14.495 7.489 7.113 356 1HG2 VAL 161 1HG2 VAL 161 14.707 9.797 5.375 357 2HG2 VAL 161 2HG2 VAL 161 14.050 8.736 4.130 358 3HG2 VAL 161 3HG2 VAL 161 15.636 9.474 3.911 359 H GLU 162 H GLU 162 16.626 5.767 3.536 360 HA GLU 162 HA GLU 162 17.131 7.155 0.951 361 1HB GLU 162 2HB GLU 162 18.684 4.885 2.181 362 2HB GLU 162 1HB GLU 162 18.590 5.043 0.427 363 1HG GLU 162 2HG GLU 162 19.228 7.568 0.970 364 2HG GLU 162 1HG GLU 162 19.910 6.836 2.423 365 H GLU 163 H GLU 163 16.197 5.980 -0.862 366 HA GLU 163 HA GLU 163 13.734 4.666 -0.382 367 1HB GLU 163 2HB GLU 163 15.662 4.598 -2.725 368 2HB GLU 163 1HB GLU 163 14.001 4.011 -2.803 369 1HG GLU 163 2HG GLU 163 14.266 6.715 -1.665 370 2HG GLU 163 1HG GLU 163 14.762 6.590 -3.353 371 H ASP 164 H ASP 164 13.374 2.642 0.431 372 HA ASP 164 HA ASP 164 15.595 0.687 0.540 373 1HB ASP 164 2HB ASP 164 14.279 1.143 2.536 374 2HB ASP 164 1HB ASP 164 12.782 0.790 1.672 375 H GLU 165 H GLU 165 15.775 -0.885 -0.997 376 HA GLU 165 HA GLU 165 13.427 -1.462 -2.750 377 1HB GLU 165 2HB GLU 165 15.260 -2.512 -4.157 378 2HB GLU 165 1HB GLU 165 15.456 -0.782 -3.877 379 1HG GLU 165 2HG GLU 165 17.286 -1.067 -2.530 380 2HG GLU 165 1HG GLU 165 16.682 -2.581 -1.857 381 H SER 166 H SER 166 15.097 -2.729 -0.078 382 HA SER 166 HA SER 166 14.489 -5.563 -0.765 383 1HB SER 166 2HB SER 166 16.123 -6.055 0.808 384 2HB SER 166 1HB SER 166 16.651 -4.442 0.341 385 HG SER 166 HG SER 166 16.412 -4.035 2.391 386 H ALA 167 H ALA 167 12.453 -3.393 -0.027 387 HA ALA 167 HA ALA 167 11.226 -4.833 2.303 388 1HB ALA 167 1HB ALA 167 11.727 -2.764 3.210 389 2HB ALA 167 2HB ALA 167 10.164 -2.377 2.492 390 3HB ALA 167 3HB ALA 167 11.653 -1.949 1.648 391 H MET 168 H MET 168 10.755 -5.589 -0.405 392 HA MET 168 HA MET 168 7.952 -4.598 -0.821 393 1HB MET 168 2HB MET 168 10.174 -5.367 -2.728 394 2HB MET 168 1HB MET 168 8.498 -5.207 -3.254 395 1HG MET 168 2HG MET 168 9.227 -2.921 -1.656 396 2HG MET 168 1HG MET 168 10.406 -3.138 -2.950 397 1HE MET 168 1HE MET 168 8.924 -1.388 -5.696 398 2HE MET 168 2HE MET 168 10.258 -2.315 -5.013 399 3HE MET 168 3HE MET 168 9.701 -0.856 -4.199 400 HA PRO 169 HA PRO 169 7.096 -8.904 -0.065 401 1HB PRO 169 2HB PRO 169 4.392 -8.747 -0.461 402 2HB PRO 169 1HB PRO 169 5.184 -8.199 1.030 403 1HG PRO 169 2HG PRO 169 4.205 -6.610 -1.286 404 2HG PRO 169 1HG PRO 169 4.155 -6.235 0.443 405 1HD PRO 169 2HD PRO 169 5.977 -5.163 -1.287 406 2HD PRO 169 1HD PRO 169 6.277 -5.382 0.451 407 H LYS 170 H LYS 170 8.101 -9.777 -1.966 408 HA LYS 170 HA LYS 170 8.031 -10.952 -4.019 409 1HB LYS 170 2HB LYS 170 5.450 -10.952 -2.914 410 2HB LYS 170 1HB LYS 170 5.219 -10.466 -4.594 411 1HG LYS 170 2HG LYS 170 6.702 -12.431 -5.242 412 2HG LYS 170 1HG LYS 170 6.572 -12.970 -3.567 413 1HD LYS 170 2HD LYS 170 4.306 -13.450 -3.752 414 2HD LYS 170 1HD LYS 170 4.064 -12.296 -5.064 415 1HE LYS 170 2HE LYS 170 5.945 -14.255 -5.970 416 2HE LYS 170 1HE LYS 170 4.545 -15.104 -5.284 417 1HZ LYS 170 1HZ LYS 170 3.069 -13.852 -6.611 418 2HZ LYS 170 2HZ LYS 170 4.297 -14.368 -7.665 419 3HZ LYS 170 3HZ LYS 170 4.281 -12.769 -7.092 420 H LYS 171 H LYS 171 7.973 -10.449 -6.310 421 HA LYS 171 HA LYS 171 7.086 -7.708 -7.070 422 1HB LYS 171 2HB LYS 171 9.692 -8.321 -6.318 423 2HB LYS 171 1HB LYS 171 9.749 -8.412 -8.078 424 1HG LYS 171 2HG LYS 171 8.425 -6.086 -6.688 425 2HG LYS 171 1HG LYS 171 10.166 -6.102 -6.975 426 1HD LYS 171 2HD LYS 171 9.708 -5.292 -9.032 427 2HD LYS 171 1HD LYS 171 9.083 -6.897 -9.417 428 1HE LYS 171 2HE LYS 171 7.005 -6.028 -9.632 429 2HE LYS 171 1HE LYS 171 7.067 -5.471 -7.947 430 1HZ LYS 171 1HZ LYS 171 6.903 -3.518 -9.207 431 2HZ LYS 171 2HZ LYS 171 8.006 -4.065 -10.378 432 3HZ LYS 171 3HZ LYS 171 8.553 -3.631 -8.828 433 H ASP 172 H ASP 172 5.596 -8.511 -8.594 434 HA ASP 172 HA ASP 172 6.761 -10.157 -10.817 435 1HB ASP 172 2HB ASP 172 5.128 -11.219 -9.089 436 2HB ASP 172 1HB ASP 172 3.887 -10.268 -9.906 437 H ALA 173 H ALA 173 7.006 -8.518 -12.359 438 HA ALA 173 HA ALA 173 5.138 -6.342 -12.726 439 1HB ALA 173 1HB ALA 173 7.273 -7.578 -14.495 440 2HB ALA 173 2HB ALA 173 7.500 -6.244 -13.364 441 3HB ALA 173 3HB ALA 173 6.501 -6.021 -14.800 442 H ARG 174 H ARG 174 5.713 -9.382 -14.534 443 HA ARG 174 HA ARG 174 2.915 -9.710 -15.189 444 1HB ARG 174 2HB ARG 174 3.291 -9.242 -17.675 445 2HB ARG 174 1HB ARG 174 3.280 -7.821 -16.627 446 1HG ARG 174 2HG ARG 174 5.495 -7.396 -16.962 447 2HG ARG 174 1HG ARG 174 5.922 -9.109 -16.970 448 1HD ARG 174 2HD ARG 174 6.213 -8.765 -19.221 449 2HD ARG 174 1HD ARG 174 4.445 -8.913 -19.279 450 HE ARG 174 HE ARG 174 4.941 -6.252 -18.560 451 1HH1 ARG 174 1HH1 ARG 174 7.276 -7.089 -20.507 452 2HH1 ARG 174 2HH1 ARG 174 6.666 -6.411 -21.980 453 1HH2 ARG 174 1HH2 ARG 174 3.465 -5.918 -20.740 454 2HH2 ARG 174 2HH2 ARG 174 4.508 -5.748 -22.113 Start of MODEL 4 1 1H ARG 113 1HT ARG 113 1.376 16.431 -25.593 2 2H ARG 113 2HT ARG 113 2.052 16.898 -27.080 3 3H ARG 113 3HT ARG 113 0.537 17.504 -26.604 4 HA ARG 113 HA ARG 113 2.945 18.021 -24.964 5 1HB ARG 113 2HB ARG 113 3.373 19.969 -26.346 6 2HB ARG 113 1HB ARG 113 3.299 18.564 -27.409 7 1HG ARG 113 2HG ARG 113 0.862 19.099 -27.804 8 2HG ARG 113 1HG ARG 113 1.117 20.607 -26.926 9 1HD ARG 113 2HD ARG 113 3.227 20.447 -28.808 10 2HD ARG 113 1HD ARG 113 1.741 20.022 -29.682 11 HE ARG 113 HE ARG 113 2.343 22.632 -28.564 12 1HH1 ARG 113 1HH1 ARG 113 0.225 20.997 -30.501 13 2HH1 ARG 113 2HH1 ARG 113 -1.194 21.875 -30.037 14 1HH2 ARG 113 1HH2 ARG 113 0.353 23.492 -27.388 15 2HH2 ARG 113 2HH2 ARG 113 -1.121 23.290 -28.275 16 H ILE 114 H ILE 114 -0.051 17.608 -24.554 17 HA ILE 114 HA ILE 114 -0.754 20.361 -23.594 18 HB ILE 114 HB ILE 114 -2.152 19.161 -25.358 19 1HG1 ILE 114 2HG1 ILE 114 -3.016 20.991 -23.874 20 2HG1 ILE 114 1HG1 ILE 114 -4.263 19.840 -24.355 21 1HG2 ILE 114 1HG2 ILE 114 -2.952 17.457 -22.981 22 2HG2 ILE 114 2HG2 ILE 114 -1.891 16.906 -24.277 23 3HG2 ILE 114 3HG2 ILE 114 -3.566 17.330 -24.630 24 1HD1 ILE 114 1HD1 ILE 114 -3.345 18.665 -22.071 25 2HD1 ILE 114 2HD1 ILE 114 -4.716 19.772 -22.123 26 3HD1 ILE 114 3HD1 ILE 114 -3.117 20.369 -21.680 27 H GLU 115 H GLU 115 -0.762 16.903 -22.733 28 HA GLU 115 HA GLU 115 -1.853 17.166 -20.104 29 1HB GLU 115 2HB GLU 115 -0.676 14.940 -19.811 30 2HB GLU 115 1HB GLU 115 -1.694 15.042 -21.248 31 1HG GLU 115 2HG GLU 115 0.801 16.023 -22.070 32 2HG GLU 115 1HG GLU 115 1.175 14.624 -21.064 33 H THR 116 H THR 116 -0.952 18.480 -18.554 34 HA THR 116 HA THR 116 2.030 18.693 -18.410 35 HB THR 116 HB THR 116 1.361 20.694 -16.944 36 HG1 THR 116 1HG THR 116 -0.841 21.344 -17.364 37 1HG2 THR 116 1HG2 THR 116 0.836 22.084 -18.879 38 2HG2 THR 116 2HG2 THR 116 0.343 20.663 -19.798 39 3HG2 THR 116 3HG2 THR 116 2.031 20.871 -19.336 40 H ASP 117 H ASP 117 -0.860 17.828 -16.573 41 HA ASP 117 HA ASP 117 0.880 17.030 -14.264 42 1HB ASP 117 2HB ASP 117 -1.132 18.760 -14.224 43 2HB ASP 117 1HB ASP 117 -2.108 17.292 -14.143 44 H GLU 118 H GLU 118 -0.270 15.095 -13.030 45 HA GLU 118 HA GLU 118 -1.589 13.182 -14.873 46 1HB GLU 118 2HB GLU 118 0.949 13.087 -15.112 47 2HB GLU 118 1HB GLU 118 0.996 12.511 -13.444 48 1HG GLU 118 2HG GLU 118 -0.139 10.518 -13.967 49 2HG GLU 118 1HG GLU 118 -0.774 11.168 -15.478 50 H ARG 119 H ARG 119 -3.142 12.135 -13.702 51 HA ARG 119 HA ARG 119 -2.870 12.073 -10.720 52 1HB ARG 119 2HB ARG 119 -5.006 12.581 -12.671 53 2HB ARG 119 1HB ARG 119 -5.486 11.450 -11.405 54 1HG ARG 119 2HG ARG 119 -4.110 13.410 -10.006 55 2HG ARG 119 1HG ARG 119 -4.987 14.329 -11.229 56 1HD ARG 119 2HD ARG 119 -7.035 13.824 -10.324 57 2HD ARG 119 1HD ARG 119 -6.535 12.184 -9.863 58 HE ARG 119 HE ARG 119 -5.114 14.230 -8.359 59 1HH1 ARG 119 1HH2 ARG 119 -8.345 13.225 -8.676 60 2HH1 ARG 119 2HH2 ARG 119 -8.593 12.957 -6.984 61 1HH2 ARG 119 1HH1 ARG 119 -5.281 13.531 -6.135 62 2HH2 ARG 119 2HH1 ARG 119 -6.859 13.131 -5.545 63 H ASP 120 H ASP 120 -4.650 10.077 -10.109 64 HA ASP 120 HA ASP 120 -4.696 7.724 -9.842 65 1HB ASP 120 2HB ASP 120 -5.779 8.247 -12.090 66 2HB ASP 120 1HB ASP 120 -4.237 7.825 -12.836 67 H SER 121 H SER 121 -2.138 8.791 -9.306 68 HA SER 121 HA SER 121 -0.413 6.530 -10.198 69 1HB SER 121 2HB SER 121 1.319 8.081 -10.900 70 2HB SER 121 1HB SER 121 -0.176 8.535 -11.712 71 HG SER 121 HG SER 121 -0.344 9.867 -9.577 72 H THR 122 H THR 122 -1.520 6.711 -7.660 73 HA THR 122 HA THR 122 0.359 8.086 -5.851 74 HB THR 122 HB THR 122 -2.108 7.942 -5.484 75 HG1 THR 122 1HG THR 122 -0.420 7.950 -3.753 76 1HG2 THR 122 1HG2 THR 122 -3.236 5.976 -5.481 77 2HG2 THR 122 2HG2 THR 122 -1.984 5.159 -4.545 78 3HG2 THR 122 3HG2 THR 122 -1.807 5.331 -6.291 79 H ASN 123 H ASN 123 2.192 6.661 -6.836 80 HA ASN 123 HA ASN 123 2.336 3.848 -6.319 81 1HB ASN 123 2HB ASN 123 4.070 6.088 -7.116 82 2HB ASN 123 1HB ASN 123 4.927 4.809 -6.257 83 1HD2 ASN 123 1HD2 ASN 123 4.073 5.725 -9.335 84 2HD2 ASN 123 2HD2 ASN 123 4.019 4.201 -10.079 85 H ARG 124 H ARG 124 3.483 2.745 -4.602 86 HA ARG 124 HA ARG 124 3.163 3.993 -1.970 87 1HB ARG 124 2HB ARG 124 2.624 1.641 -2.390 88 2HB ARG 124 1HB ARG 124 4.278 1.335 -2.926 89 1HG ARG 124 2HG ARG 124 5.053 1.181 -0.803 90 2HG ARG 124 1HG ARG 124 4.134 2.592 -0.277 91 1HD ARG 124 2HD ARG 124 2.056 1.008 -0.447 92 2HD ARG 124 1HD ARG 124 3.263 -0.292 -0.374 93 HE ARG 124 HE ARG 124 3.845 1.676 1.634 94 1HH1 ARG 124 1HH2 ARG 124 0.785 0.971 1.651 95 2HH1 ARG 124 2HH2 ARG 124 0.771 -0.212 2.916 96 1HH2 ARG 124 1HH1 ARG 124 4.212 -0.639 2.913 97 2HH2 ARG 124 2HH1 ARG 124 2.713 -1.124 3.631 98 H ALA 125 H ALA 125 4.833 4.712 -0.628 99 HA ALA 125 HA ALA 125 7.578 4.768 -1.838 100 1HB ALA 125 1HB ALA 125 6.904 6.648 0.328 101 2HB ALA 125 2HB ALA 125 5.888 6.816 -1.103 102 3HB ALA 125 3HB ALA 125 7.640 6.966 -1.242 103 H SER 126 H SER 126 9.299 4.066 -0.556 104 HA SER 126 HA SER 126 8.765 3.384 2.297 105 1HB SER 126 2HB SER 126 9.224 1.114 1.973 106 2HB SER 126 1HB SER 126 8.372 1.504 0.482 107 HG SER 126 HG SER 126 10.555 1.981 -0.361 108 H PHE 127 H PHE 127 10.365 4.586 3.275 109 HA PHE 127 HA PHE 127 13.065 4.682 1.990 110 1HB PHE 127 2HB PHE 127 11.872 6.355 4.223 111 2HB PHE 127 1HB PHE 127 13.344 6.702 3.316 112 HD1 PHE 127 1HD PHE 127 13.266 7.662 1.112 113 HD2 PHE 127 2HD PHE 127 9.649 6.474 3.101 114 HE1 PHE 127 1HE PHE 127 11.931 8.857 -0.603 115 HE2 PHE 127 2HE PHE 127 8.314 7.670 1.385 116 HZ PHE 127 HZ PHE 127 9.455 8.860 -0.466 117 H LYS 128 H LYS 128 14.930 4.228 3.316 118 HA LYS 128 HA LYS 128 14.355 2.875 5.912 119 1HB LYS 128 2HB LYS 128 14.676 1.090 4.405 120 2HB LYS 128 1HB LYS 128 15.906 1.966 3.495 121 1HG LYS 128 2HG LYS 128 17.543 1.114 4.788 122 2HG LYS 128 1HG LYS 128 16.738 1.681 6.251 123 1HD LYS 128 2HD LYS 128 15.227 -0.521 5.307 124 2HD LYS 128 1HD LYS 128 16.922 -1.004 5.234 125 1HE LYS 128 2HE LYS 128 17.250 -0.470 7.574 126 2HE LYS 128 1HE LYS 128 15.635 0.257 7.680 127 1HZ LYS 128 1HZ LYS 128 16.381 -2.569 7.391 128 2HZ LYS 128 2HZ LYS 128 14.922 -2.036 6.701 129 3HZ LYS 128 3HZ LYS 128 15.187 -1.869 8.370 130 H CYS 129 H CYS 129 15.853 3.322 7.527 131 HA CYS 129 HA CYS 129 17.819 5.455 6.965 132 1HB CYS 129 2HB CYS 129 16.194 5.565 8.844 133 2HB CYS 129 1HB CYS 129 16.902 4.105 9.521 134 HA PRO 130 HA PRO 130 20.997 2.340 6.842 135 1HB PRO 130 2HB PRO 130 23.107 4.050 6.539 136 2HB PRO 130 1HB PRO 130 22.003 3.629 5.214 137 1HG PRO 130 2HG PRO 130 22.109 6.083 6.879 138 2HG PRO 130 1HG PRO 130 21.702 5.894 5.167 139 1HD PRO 130 2HD PRO 130 19.859 6.246 7.183 140 2HD PRO 130 1HD PRO 130 19.505 5.501 5.608 141 H VAL 131 H VAL 131 20.795 4.967 9.140 142 HA VAL 131 HA VAL 131 23.066 4.041 10.749 143 HB VAL 131 HB VAL 131 20.968 6.188 10.912 144 1HG1 VAL 131 1HG1 VAL 131 21.108 5.527 13.201 145 2HG1 VAL 131 2HG1 VAL 131 22.191 6.909 13.040 146 3HG1 VAL 131 3HG1 VAL 131 22.850 5.274 13.095 147 1HG2 VAL 131 1HG2 VAL 131 23.993 6.081 10.759 148 2HG2 VAL 131 2HG2 VAL 131 23.099 7.573 11.047 149 3HG2 VAL 131 3HG2 VAL 131 22.881 6.693 9.536 150 H CYS 132 H CYS 132 19.730 4.653 11.865 151 HA CYS 132 HA CYS 132 20.010 2.426 13.770 152 1HB CYS 132 2HB CYS 132 18.045 3.353 14.762 153 2HB CYS 132 1HB CYS 132 18.996 4.727 14.208 154 H SER 133 H SER 133 19.575 2.209 10.668 155 HA SER 133 HA SER 133 18.446 0.767 9.190 156 1HB SER 133 2HB SER 133 17.863 -1.442 10.575 157 2HB SER 133 1HB SER 133 19.523 -0.993 10.201 158 HG SER 133 HG SER 133 19.829 -0.845 12.265 159 H SER 134 H SER 134 16.695 2.706 10.725 160 HA SER 134 HA SER 134 14.206 1.233 11.210 161 1HB SER 134 2HB SER 134 15.115 4.106 11.170 162 2HB SER 134 1HB SER 134 13.405 3.709 11.326 163 HG SER 134 HG SER 134 13.778 3.207 13.324 164 H THR 135 H THR 135 12.219 2.550 9.965 165 HA THR 135 HA THR 135 12.909 2.971 7.114 166 HB THR 135 HB THR 135 10.838 0.910 7.849 167 HG1 THR 135 1HG THR 135 12.507 -0.634 7.599 168 1HG2 THR 135 1HG2 THR 135 11.407 0.070 5.595 169 2HG2 THR 135 2HG2 THR 135 12.610 1.350 5.430 170 3HG2 THR 135 3HG2 THR 135 10.898 1.758 5.543 171 H PHE 136 H PHE 136 11.057 3.809 5.888 172 HA PHE 136 HA PHE 136 8.690 4.667 7.472 173 1HB PHE 136 2HB PHE 136 10.373 6.604 5.863 174 2HB PHE 136 1HB PHE 136 9.085 6.987 7.003 175 HD1 PHE 136 1HD PHE 136 9.473 7.029 9.377 176 HD2 PHE 136 2HD PHE 136 12.557 5.735 6.681 177 HE1 PHE 136 1HE PHE 136 11.130 7.144 11.217 178 HE2 PHE 136 2HE PHE 136 14.214 5.849 8.523 179 HZ PHE 136 HZ PHE 136 13.500 6.557 10.788 180 H THR 137 H THR 137 7.011 5.618 5.979 181 HA THR 137 HA THR 137 7.314 4.595 3.171 182 HB THR 137 HB THR 137 4.675 4.384 3.600 183 HG1 THR 137 1HG THR 137 4.168 4.294 5.641 184 1HG2 THR 137 1HG2 THR 137 6.263 2.563 2.989 185 2HG2 THR 137 2HG2 THR 137 5.047 2.038 4.153 186 3HG2 THR 137 3HG2 THR 137 6.687 2.399 4.693 187 H ASP 138 H ASP 138 5.129 5.624 1.992 188 HA ASP 138 HA ASP 138 5.691 8.331 1.487 189 1HB ASP 138 2HB ASP 138 3.244 8.273 0.657 190 2HB ASP 138 1HB ASP 138 4.358 7.089 -0.029 191 H LEU 139 H LEU 139 3.160 6.992 3.652 192 HA LEU 139 HA LEU 139 2.050 9.410 4.562 193 1HB LEU 139 2HB LEU 139 1.146 8.070 6.282 194 2HB LEU 139 1HB LEU 139 1.494 6.900 5.013 195 HG LEU 139 HG LEU 139 3.870 6.886 6.304 196 1HD1 LEU 139 1HD1 LEU 139 3.531 8.223 8.154 197 2HD1 LEU 139 2HD1 LEU 139 2.937 6.697 8.808 198 3HD1 LEU 139 3HD1 LEU 139 1.798 7.899 8.201 199 1HD2 LEU 139 1HD2 LEU 139 2.296 4.978 5.742 200 2HD2 LEU 139 2HD2 LEU 139 1.473 5.302 7.267 201 3HD2 LEU 139 3HD2 LEU 139 3.161 4.795 7.267 202 H GLU 140 H GLU 140 5.129 7.920 5.370 203 HA GLU 140 HA GLU 140 5.643 9.827 7.579 204 1HB GLU 140 2HB GLU 140 7.271 7.616 6.278 205 2HB GLU 140 1HB GLU 140 7.758 8.502 7.723 206 1HG GLU 140 2HG GLU 140 5.057 7.224 7.702 207 2HG GLU 140 1HG GLU 140 6.465 6.184 7.910 208 H ALA 141 H ALA 141 6.310 9.400 4.188 209 HA ALA 141 HA ALA 141 8.668 11.005 3.936 210 1HB ALA 141 1HB ALA 141 7.612 11.231 1.541 211 2HB ALA 141 2HB ALA 141 6.394 10.121 2.170 212 3HB ALA 141 3HB ALA 141 8.087 9.633 2.117 213 H ASN 142 H ASN 142 5.392 11.847 4.622 214 HA ASN 142 HA ASN 142 5.645 14.615 3.608 215 1HB ASN 142 2HB ASN 142 3.510 12.988 5.007 216 2HB ASN 142 1HB ASN 142 3.296 14.695 4.613 217 1HD2 ASN 142 1HD2 ASN 142 2.889 11.554 3.381 218 2HD2 ASN 142 2HD2 ASN 142 2.727 11.955 1.740 219 H GLN 143 H GLN 143 6.470 12.927 6.445 220 HA GLN 143 HA GLN 143 6.337 15.457 8.056 221 1HB GLN 143 2HB GLN 143 5.994 14.033 9.977 222 2HB GLN 143 1HB GLN 143 4.885 13.489 8.719 223 1HG GLN 143 2HG GLN 143 6.418 11.692 8.093 224 2HG GLN 143 1HG GLN 143 7.604 12.264 9.266 225 1HE2 GLN 143 1HE2 GLN 143 4.367 10.783 8.979 226 2HE2 GLN 143 2HE2 GLN 143 4.318 10.190 10.568 227 H LEU 144 H LEU 144 8.367 12.938 6.792 228 HA LEU 144 HA LEU 144 10.617 13.650 8.606 229 1HB LEU 144 2HB LEU 144 10.363 11.596 6.383 230 2HB LEU 144 1HB LEU 144 11.651 11.674 7.586 231 HG LEU 144 HG LEU 144 8.710 11.218 8.172 232 1HD1 LEU 144 1HD1 LEU 144 9.556 8.970 8.915 233 2HD1 LEU 144 2HD1 LEU 144 11.128 9.387 8.234 234 3HD1 LEU 144 3HD1 LEU 144 9.721 9.246 7.181 235 1HD2 LEU 144 1HD2 LEU 144 11.150 11.622 9.892 236 2HD2 LEU 144 2HD2 LEU 144 9.818 10.623 10.472 237 3HD2 LEU 144 3HD2 LEU 144 9.540 12.318 10.073 238 H PHE 145 H PHE 145 9.346 14.598 5.611 239 HA PHE 145 HA PHE 145 11.759 15.000 4.084 240 1HB PHE 145 2HB PHE 145 9.355 14.896 3.295 241 2HB PHE 145 1HB PHE 145 9.134 16.510 3.971 242 HD1 PHE 145 1HD PHE 145 8.971 18.005 2.174 243 HD2 PHE 145 2HD PHE 145 12.027 14.985 2.142 244 HE1 PHE 145 1HE PHE 145 9.930 18.999 0.115 245 HE2 PHE 145 2HE PHE 145 12.987 15.980 0.082 246 HZ PHE 145 HZ PHE 145 11.938 17.987 -0.931 247 H ASP 146 H ASP 146 13.149 16.758 4.039 248 HA ASP 146 HA ASP 146 12.521 19.077 5.837 249 1HB ASP 146 2HB ASP 146 14.430 17.084 6.200 250 2HB ASP 146 1HB ASP 146 15.353 18.413 5.500 251 HA PRO 147 HA PRO 147 13.372 21.223 2.037 252 1HB PRO 147 2HB PRO 147 13.114 23.756 3.033 253 2HB PRO 147 1HB PRO 147 11.724 22.710 2.680 254 1HG PRO 147 2HG PRO 147 12.993 23.355 5.286 255 2HG PRO 147 1HG PRO 147 11.289 23.084 4.893 256 1HD PRO 147 2HD PRO 147 12.923 21.227 6.099 257 2HD PRO 147 1HD PRO 147 11.453 20.833 5.180 258 H MET 148 H MET 148 15.350 20.984 4.720 259 HA MET 148 HA MET 148 17.287 23.078 4.024 260 1HB MET 148 2HB MET 148 18.459 22.217 5.946 261 2HB MET 148 1HB MET 148 16.738 22.165 6.334 262 1HG MET 148 2HG MET 148 17.042 19.981 6.815 263 2HG MET 148 1HG MET 148 17.208 19.725 5.077 264 1HE MET 148 1HE MET 148 20.346 19.676 8.342 265 2HE MET 148 2HE MET 148 18.590 19.554 8.433 266 3HE MET 148 3HE MET 148 19.344 21.121 8.154 267 H THR 149 H THR 149 16.744 19.720 3.217 268 HA THR 149 HA THR 149 19.337 19.720 1.709 269 HB THR 149 HB THR 149 19.665 18.272 3.555 270 HG1 THR 149 1HG THR 149 20.283 16.982 1.996 271 1HG2 THR 149 1HG2 THR 149 17.713 17.930 4.692 272 2HG2 THR 149 2HG2 THR 149 17.707 16.417 3.785 273 3HG2 THR 149 3HG2 THR 149 16.758 17.790 3.216 274 H GLY 150 H GLY 150 15.951 18.753 1.831 275 1HA GLY 150 2HA GLY 150 14.592 18.669 -0.178 276 2HA GLY 150 1HA GLY 150 16.049 18.322 -1.110 277 H THR 151 H THR 151 15.649 16.621 1.875 278 HA THR 151 HA THR 151 14.551 14.236 0.444 279 HB THR 151 HB THR 151 16.760 13.709 2.323 280 HG1 THR 151 1HG THR 151 17.464 14.793 -0.168 281 1HG2 THR 151 1HG2 THR 151 17.372 12.111 0.664 282 2HG2 THR 151 2HG2 THR 151 16.474 12.964 -0.591 283 3HG2 THR 151 3HG2 THR 151 15.610 12.113 0.690 284 H PHE 152 H PHE 152 14.643 12.401 2.450 285 HA PHE 152 HA PHE 152 12.940 13.647 4.567 286 1HB PHE 152 2HB PHE 152 13.281 10.725 3.839 287 2HB PHE 152 1HB PHE 152 11.945 11.464 4.724 288 HD1 PHE 152 1HD PHE 152 10.323 12.941 3.557 289 HD2 PHE 152 2HD PHE 152 13.400 10.829 1.431 290 HE1 PHE 152 1HE PHE 152 9.131 13.352 1.421 291 HE2 PHE 152 2HE PHE 152 12.209 11.240 -0.704 292 HZ PHE 152 HZ PHE 152 10.074 12.502 -0.710 293 H ARG 153 H ARG 153 13.582 13.520 6.715 294 HA ARG 153 HA ARG 153 16.225 12.210 7.243 295 1HB ARG 153 2HB ARG 153 14.764 14.630 8.234 296 2HB ARG 153 1HB ARG 153 15.903 13.840 9.327 297 1HG ARG 153 2HG ARG 153 17.734 14.245 7.923 298 2HG ARG 153 1HG ARG 153 16.717 14.458 6.497 299 1HD ARG 153 2HD ARG 153 17.276 16.682 6.996 300 2HD ARG 153 1HD ARG 153 15.755 16.508 7.893 301 HE ARG 153 HE ARG 153 18.321 15.856 9.264 302 1HH1 ARG 153 1HH2 ARG 153 15.308 16.224 10.225 303 2HH1 ARG 153 2HH2 ARG 153 15.510 17.655 11.179 304 1HH2 ARG 153 1HH1 ARG 153 18.663 18.368 9.927 305 2HH2 ARG 153 2HH1 ARG 153 17.409 18.868 11.012 306 H CYS 154 H CYS 154 16.408 10.756 8.949 307 HA CYS 154 HA CYS 154 14.329 9.085 9.758 308 1HB CYS 154 2HB CYS 154 16.870 8.956 10.066 309 2HB CYS 154 1HB CYS 154 16.645 9.963 11.494 310 H THR 155 H THR 155 13.580 8.952 12.220 311 HA THR 155 HA THR 155 12.740 11.706 13.074 312 HB THR 155 HB THR 155 11.002 9.542 13.937 313 HG1 THR 155 1HG THR 155 10.286 9.019 11.822 314 1HG2 THR 155 1HG2 THR 155 10.426 11.954 13.815 315 2HG2 THR 155 2HG2 THR 155 9.309 10.957 12.883 316 3HG2 THR 155 3HG2 THR 155 10.566 11.879 12.059 317 H PHE 156 H PHE 156 14.209 8.710 14.008 318 HA PHE 156 HA PHE 156 14.062 9.523 16.873 319 1HB PHE 156 2HB PHE 156 15.062 6.907 16.684 320 2HB PHE 156 1HB PHE 156 13.457 7.387 17.206 321 HD1 PHE 156 1HD PHE 156 15.454 6.625 14.138 322 HD2 PHE 156 2HD PHE 156 11.565 6.782 15.952 323 HE1 PHE 156 1HE PHE 156 14.474 5.555 12.137 324 HE2 PHE 156 2HE PHE 156 10.584 5.702 13.946 325 HZ PHE 156 HZ PHE 156 12.040 5.085 12.036 326 H CYS 157 H CYS 157 16.240 8.558 14.270 327 HA CYS 157 HA CYS 157 18.515 9.397 16.023 328 1HB CYS 157 2HB CYS 157 19.619 7.499 15.414 329 2HB CYS 157 1HB CYS 157 18.013 6.918 15.004 330 H HIS 158 H HIS 158 16.671 10.739 13.937 331 HA HIS 158 HA HIS 158 16.840 12.232 12.104 332 1HB HIS 158 2HB HIS 158 18.966 12.806 14.145 333 2HB HIS 158 1HB HIS 158 18.777 13.862 12.744 334 HD1 HIS 158 1HD HIS 158 16.654 15.305 12.604 335 HD2 HIS 158 2HD HIS 158 16.714 12.797 15.932 336 HE1 HIS 158 1HE HIS 158 14.730 16.030 14.082 337 H THR 159 H THR 159 18.427 9.665 11.576 338 HA THR 159 HA THR 159 20.775 10.672 10.088 339 HB THR 159 HB THR 159 19.477 8.007 10.629 340 HG1 THR 159 1HG THR 159 21.784 9.392 11.355 341 1HG2 THR 159 1HG2 THR 159 21.929 8.398 8.905 342 2HG2 THR 159 2HG2 THR 159 20.319 8.146 8.232 343 3HG2 THR 159 3HG2 THR 159 21.065 6.894 9.219 344 H GLU 160 H GLU 160 20.889 10.662 7.771 345 HA GLU 160 HA GLU 160 18.512 11.328 6.336 346 1HB GLU 160 2HB GLU 160 21.260 11.370 5.961 347 2HB GLU 160 1HB GLU 160 20.714 10.204 4.755 348 1HG GLU 160 2HG GLU 160 18.831 12.182 4.494 349 2HG GLU 160 1HG GLU 160 20.275 13.118 4.884 350 H VAL 161 H VAL 161 17.010 10.040 5.323 351 HA VAL 161 HA VAL 161 17.414 7.087 5.428 352 HB VAL 161 HB VAL 161 14.939 7.101 5.118 353 1HG1 VAL 161 1HG1 VAL 161 15.817 9.067 7.253 354 2HG1 VAL 161 2HG1 VAL 161 16.037 7.322 7.385 355 3HG1 VAL 161 3HG1 VAL 161 14.411 8.002 7.298 356 1HG2 VAL 161 1HG2 VAL 161 15.506 9.750 4.194 357 2HG2 VAL 161 2HG2 VAL 161 14.452 9.879 5.602 358 3HG2 VAL 161 3HG2 VAL 161 13.952 8.915 4.212 359 H GLU 162 H GLU 162 16.968 5.808 3.523 360 HA GLU 162 HA GLU 162 16.965 7.343 0.944 361 1HB GLU 162 2HB GLU 162 18.537 4.863 1.721 362 2HB GLU 162 1HB GLU 162 18.569 5.629 0.132 363 1HG GLU 162 2HG GLU 162 19.816 7.419 0.864 364 2HG GLU 162 1HG GLU 162 19.127 7.370 2.487 365 H GLU 163 H GLU 163 15.979 6.162 -0.850 366 HA GLU 163 HA GLU 163 13.568 4.803 -0.257 367 1HB GLU 163 2HB GLU 163 15.356 5.200 -2.622 368 2HB GLU 163 1HB GLU 163 14.056 4.016 -2.765 369 1HG GLU 163 2HG GLU 163 12.471 5.803 -1.914 370 2HG GLU 163 1HG GLU 163 13.796 6.955 -2.089 371 H ASP 164 H ASP 164 13.064 2.632 0.023 372 HA ASP 164 HA ASP 164 15.300 0.769 0.502 373 1HB ASP 164 2HB ASP 164 13.250 1.096 1.964 374 2HB ASP 164 1HB ASP 164 12.305 0.336 0.681 375 H GLU 165 H GLU 165 16.123 -0.025 -1.443 376 HA GLU 165 HA GLU 165 14.190 -0.964 -3.518 377 1HB GLU 165 2HB GLU 165 17.078 -0.125 -3.427 378 2HB GLU 165 1HB GLU 165 16.502 -1.117 -4.766 379 1HG GLU 165 2HG GLU 165 14.814 0.533 -5.334 380 2HG GLU 165 1HG GLU 165 15.216 1.491 -3.909 381 H SER 166 H SER 166 15.045 -2.365 -0.901 382 HA SER 166 HA SER 166 15.888 -4.939 -2.191 383 1HB SER 166 2HB SER 166 16.721 -3.829 0.508 384 2HB SER 166 1HB SER 166 17.291 -5.328 -0.220 385 HG SER 166 HG SER 166 18.366 -4.182 -1.743 386 H ALA 167 H ALA 167 13.181 -3.932 -1.474 387 HA ALA 167 HA ALA 167 12.426 -5.451 0.946 388 1HB ALA 167 1HB ALA 167 10.156 -4.519 0.275 389 2HB ALA 167 2HB ALA 167 10.965 -3.743 -1.087 390 3HB ALA 167 3HB ALA 167 11.401 -3.303 0.564 391 H MET 168 H MET 168 9.999 -6.526 0.287 392 HA MET 168 HA MET 168 9.053 -8.483 -0.645 393 1HB MET 168 2HB MET 168 10.597 -7.338 -2.997 394 2HB MET 168 1HB MET 168 9.329 -8.558 -3.127 395 1HG MET 168 2HG MET 168 8.145 -6.583 -1.581 396 2HG MET 168 1HG MET 168 9.090 -5.665 -2.753 397 1HE MET 168 1HE MET 168 6.393 -7.759 -1.790 398 2HE MET 168 2HE MET 168 6.687 -9.076 -2.922 399 3HE MET 168 3HE MET 168 5.320 -7.995 -3.177 400 HA PRO 169 HA PRO 169 13.186 -10.623 -0.241 401 1HB PRO 169 2HB PRO 169 12.610 -11.946 2.086 402 2HB PRO 169 1HB PRO 169 13.324 -10.322 2.048 403 1HG PRO 169 2HG PRO 169 10.504 -11.138 2.525 404 2HG PRO 169 1HG PRO 169 11.450 -9.848 3.284 405 1HD PRO 169 2HD PRO 169 9.602 -9.415 1.320 406 2HD PRO 169 1HD PRO 169 11.000 -8.357 1.610 407 H LYS 170 H LYS 170 12.422 -11.867 -2.086 408 HA LYS 170 HA LYS 170 11.276 -14.500 -1.317 409 1HB LYS 170 2HB LYS 170 9.722 -12.422 -2.316 410 2HB LYS 170 1HB LYS 170 10.081 -13.383 -3.751 411 1HG LYS 170 2HG LYS 170 8.930 -15.221 -2.981 412 2HG LYS 170 1HG LYS 170 9.284 -14.865 -1.290 413 1HD LYS 170 2HD LYS 170 7.150 -14.114 -1.176 414 2HD LYS 170 1HD LYS 170 7.744 -12.700 -2.049 415 1HE LYS 170 2HE LYS 170 6.683 -13.309 -3.977 416 2HE LYS 170 1HE LYS 170 7.122 -15.018 -3.778 417 1HZ LYS 170 1HZ LYS 170 4.695 -14.487 -3.465 418 2HZ LYS 170 2HZ LYS 170 5.135 -13.658 -2.049 419 3HZ LYS 170 3HZ LYS 170 5.428 -15.325 -2.186 420 H LYS 171 H LYS 171 13.936 -13.706 -2.173 421 HA LYS 171 HA LYS 171 14.654 -13.876 -4.828 422 1HB LYS 171 2HB LYS 171 15.985 -13.926 -2.557 423 2HB LYS 171 1HB LYS 171 15.974 -15.672 -2.808 424 1HG LYS 171 2HG LYS 171 17.801 -15.335 -4.101 425 2HG LYS 171 1HG LYS 171 16.676 -14.699 -5.302 426 1HD LYS 171 2HD LYS 171 16.971 -12.434 -4.437 427 2HD LYS 171 1HD LYS 171 18.010 -13.037 -3.144 428 1HE LYS 171 2HE LYS 171 18.726 -13.638 -6.008 429 2HE LYS 171 1HE LYS 171 19.137 -12.060 -5.305 430 1HZ LYS 171 1HZ LYS 171 20.549 -12.978 -3.816 431 2HZ LYS 171 2HZ LYS 171 20.665 -14.204 -4.987 432 3HZ LYS 171 3HZ LYS 171 19.641 -14.399 -3.646 433 H ASP 172 H ASP 172 13.794 -15.211 -6.381 434 HA ASP 172 HA ASP 172 12.669 -17.828 -5.763 435 1HB ASP 172 2HB ASP 172 11.984 -16.128 -7.554 436 2HB ASP 172 1HB ASP 172 13.397 -16.667 -8.463 437 H ALA 173 H ALA 173 14.351 -19.187 -4.987 438 HA ALA 173 HA ALA 173 16.955 -19.394 -6.214 439 1HB ALA 173 1HB ALA 173 16.463 -21.770 -4.884 440 2HB ALA 173 2HB ALA 173 15.338 -20.655 -4.107 441 3HB ALA 173 3HB ALA 173 17.065 -20.294 -4.128 442 H ARG 174 H ARG 174 17.540 -21.894 -6.849 443 HA ARG 174 HA ARG 174 16.053 -22.387 -9.337 444 1HB ARG 174 2HB ARG 174 18.620 -23.058 -8.069 445 2HB ARG 174 1HB ARG 174 17.938 -24.385 -9.010 446 1HG ARG 174 2HG ARG 174 18.605 -23.372 -10.902 447 2HG ARG 174 1HG ARG 174 17.571 -21.994 -10.517 448 1HD ARG 174 2HD ARG 174 20.000 -21.368 -10.809 449 2HD ARG 174 1HD ARG 174 19.370 -20.969 -9.198 450 HE ARG 174 HE ARG 174 20.770 -23.569 -9.672 451 1HH1 ARG 174 1HH1 ARG 174 21.435 -20.444 -8.713 452 2HH1 ARG 174 2HH1 ARG 174 22.077 -20.858 -7.158 453 1HH2 ARG 174 1HH2 ARG 174 21.122 -24.186 -7.357 454 2HH2 ARG 174 2HH2 ARG 174 21.900 -22.977 -6.391 Start of MODEL 5 1 1H ARG 113 1HT ARG 113 -7.798 -5.487 -22.446 2 2H ARG 113 2HT ARG 113 -6.841 -5.422 -23.848 3 3H ARG 113 3HT ARG 113 -8.030 -4.240 -23.571 4 HA ARG 113 HA ARG 113 -6.573 -3.946 -21.354 5 1HB ARG 113 2HB ARG 113 -5.135 -5.806 -22.363 6 2HB ARG 113 1HB ARG 113 -4.637 -4.631 -23.581 7 1HG ARG 113 2HG ARG 113 -3.368 -3.430 -22.102 8 2HG ARG 113 1HG ARG 113 -4.470 -3.726 -20.758 9 1HD ARG 113 2HD ARG 113 -3.082 -6.141 -21.770 10 2HD ARG 113 1HD ARG 113 -2.038 -4.942 -20.981 11 HE ARG 113 HE ARG 113 -4.403 -6.245 -19.709 12 1HH1 ARG 113 1HH2 ARG 113 -1.183 -5.732 -19.266 13 2HH1 ARG 113 2HH2 ARG 113 -1.302 -5.011 -17.695 14 1HH2 ARG 113 1HH1 ARG 113 -4.751 -4.673 -17.818 15 2HH2 ARG 113 2HH1 ARG 113 -3.321 -4.413 -16.875 16 H ILE 114 H ILE 114 -7.527 -1.876 -21.708 17 HA ILE 114 HA ILE 114 -6.504 -0.309 -24.043 18 HB ILE 114 HB ILE 114 -8.833 0.128 -22.143 19 1HG1 ILE 114 2HG1 ILE 114 -9.353 -0.404 -24.988 20 2HG1 ILE 114 1HG1 ILE 114 -8.589 -1.757 -24.153 21 1HG2 ILE 114 1HG2 ILE 114 -9.536 1.826 -23.796 22 2HG2 ILE 114 2HG2 ILE 114 -8.065 1.529 -24.724 23 3HG2 ILE 114 3HG2 ILE 114 -7.963 2.226 -23.107 24 1HD1 ILE 114 1HD1 ILE 114 -10.473 -0.945 -22.319 25 2HD1 ILE 114 2HD1 ILE 114 -10.689 -2.268 -23.464 26 3HD1 ILE 114 3HD1 ILE 114 -11.303 -0.660 -23.848 27 H GLU 115 H GLU 115 -6.182 -0.678 -20.647 28 HA GLU 115 HA GLU 115 -4.839 2.002 -20.462 29 1HB GLU 115 2HB GLU 115 -6.471 0.417 -18.453 30 2HB GLU 115 1HB GLU 115 -5.566 1.874 -18.043 31 1HG GLU 115 2HG GLU 115 -6.862 2.992 -19.982 32 2HG GLU 115 1HG GLU 115 -7.944 1.602 -19.878 33 H THR 116 H THR 116 -2.784 1.994 -19.473 34 HA THR 116 HA THR 116 -1.712 -0.710 -18.726 35 HB THR 116 HB THR 116 0.468 0.308 -19.544 36 HG1 THR 116 1HG THR 116 -0.278 2.135 -21.103 37 1HG2 THR 116 1HG2 THR 116 -1.892 -0.456 -21.112 38 2HG2 THR 116 2HG2 THR 116 -0.221 -1.000 -21.258 39 3HG2 THR 116 3HG2 THR 116 -0.727 0.507 -22.022 40 H ASP 117 H ASP 117 -0.305 2.538 -18.326 41 HA ASP 117 HA ASP 117 -0.076 1.967 -15.393 42 1HB ASP 117 2HB ASP 117 1.816 2.537 -17.300 43 2HB ASP 117 1HB ASP 117 1.508 4.136 -16.619 44 H GLU 118 H GLU 118 -1.132 4.353 -17.776 45 HA GLU 118 HA GLU 118 -2.609 6.187 -17.499 46 1HB GLU 118 2HB GLU 118 -3.263 4.344 -15.564 47 2HB GLU 118 1HB GLU 118 -2.911 5.774 -14.592 48 1HG GLU 118 2HG GLU 118 -5.130 6.191 -15.069 49 2HG GLU 118 1HG GLU 118 -4.388 6.961 -16.473 50 H ARG 119 H ARG 119 -0.676 5.823 -14.488 51 HA ARG 119 HA ARG 119 0.695 8.385 -15.062 52 1HB ARG 119 2HB ARG 119 -1.673 8.444 -13.737 53 2HB ARG 119 1HB ARG 119 -0.573 8.201 -12.381 54 1HG ARG 119 2HG ARG 119 0.501 10.229 -12.704 55 2HG ARG 119 1HG ARG 119 0.128 10.269 -14.427 56 1HD ARG 119 2HD ARG 119 -1.199 11.945 -13.095 57 2HD ARG 119 1HD ARG 119 -2.230 10.768 -13.934 58 HE ARG 119 HE ARG 119 -1.388 10.225 -11.124 59 1HH1 ARG 119 1HH1 ARG 119 -3.721 12.203 -11.813 60 2HH1 ARG 119 2HH1 ARG 119 -5.074 11.152 -11.559 61 1HH2 ARG 119 1HH2 ARG 119 -3.164 8.259 -11.530 62 2HH2 ARG 119 2HH2 ARG 119 -4.760 8.921 -11.399 63 H ASP 120 H ASP 120 2.381 8.811 -13.312 64 HA ASP 120 HA ASP 120 3.246 6.277 -11.964 65 1HB ASP 120 2HB ASP 120 5.543 6.831 -12.707 66 2HB ASP 120 1HB ASP 120 4.457 6.653 -14.085 67 H SER 121 H SER 121 1.907 8.818 -10.994 68 HA SER 121 HA SER 121 4.061 9.931 -9.247 69 1HB SER 121 2HB SER 121 1.810 10.965 -10.681 70 2HB SER 121 1HB SER 121 1.527 11.233 -8.964 71 HG SER 121 HG SER 121 3.530 12.214 -10.644 72 H THR 122 H THR 122 1.166 7.983 -9.223 73 HA THR 122 HA THR 122 1.039 8.094 -6.238 74 HB THR 122 HB THR 122 -1.167 6.884 -6.746 75 HG1 THR 122 1HG THR 122 -1.752 6.700 -8.807 76 1HG2 THR 122 1HG2 THR 122 -0.388 9.664 -7.252 77 2HG2 THR 122 2HG2 THR 122 -1.763 9.029 -6.349 78 3HG2 THR 122 3HG2 THR 122 -1.861 9.192 -8.102 79 H ASN 123 H ASN 123 3.036 6.708 -6.144 80 HA ASN 123 HA ASN 123 2.354 3.819 -6.587 81 1HB ASN 123 2HB ASN 123 5.021 5.231 -6.939 82 2HB ASN 123 1HB ASN 123 4.711 3.521 -7.240 83 1HD2 ASN 123 1HD2 ASN 123 5.538 5.678 -9.194 84 2HD2 ASN 123 2HD2 ASN 123 4.346 5.659 -10.403 85 H ARG 124 H ARG 124 2.412 5.838 -4.198 86 HA ARG 124 HA ARG 124 2.865 5.631 -1.887 87 1HB ARG 124 2HB ARG 124 2.470 3.105 -2.942 88 2HB ARG 124 1HB ARG 124 4.029 2.944 -2.132 89 1HG ARG 124 2HG ARG 124 3.145 3.476 -0.032 90 2HG ARG 124 1HG ARG 124 1.747 4.301 -0.722 91 1HD ARG 124 2HD ARG 124 1.531 1.688 -1.701 92 2HD ARG 124 1HD ARG 124 2.038 1.489 -0.011 93 HE ARG 124 HE ARG 124 0.006 3.538 -0.266 94 1HH1 ARG 124 1HH2 ARG 124 0.683 0.766 1.346 95 2HH1 ARG 124 2HH2 ARG 124 -0.916 0.100 1.309 96 1HH2 ARG 124 1HH1 ARG 124 -2.119 2.422 -0.967 97 2HH2 ARG 124 2HH1 ARG 124 -2.503 1.039 0.001 98 H ALA 125 H ALA 125 5.004 4.276 -0.609 99 HA ALA 125 HA ALA 125 7.545 4.659 -1.906 100 1HB ALA 125 1HB ALA 125 6.888 6.988 -1.903 101 2HB ALA 125 2HB ALA 125 8.128 6.785 -0.666 102 3HB ALA 125 3HB ALA 125 6.430 6.904 -0.202 103 H SER 126 H SER 126 9.285 4.092 -0.517 104 HA SER 126 HA SER 126 8.670 3.554 2.347 105 1HB SER 126 2HB SER 126 8.092 1.501 1.216 106 2HB SER 126 1HB SER 126 9.559 1.562 0.242 107 HG SER 126 HG SER 126 9.720 1.554 3.049 108 H PHE 127 H PHE 127 10.302 4.714 3.312 109 HA PHE 127 HA PHE 127 12.996 4.750 2.025 110 1HB PHE 127 2HB PHE 127 11.930 6.410 4.319 111 2HB PHE 127 1HB PHE 127 13.300 6.778 3.272 112 HD1 PHE 127 1HD PHE 127 12.959 7.533 0.962 113 HD2 PHE 127 2HD PHE 127 9.636 6.703 3.552 114 HE1 PHE 127 1HE PHE 127 11.442 8.705 -0.610 115 HE2 PHE 127 2HE PHE 127 8.117 7.875 1.981 116 HZ PHE 127 HZ PHE 127 9.020 8.878 -0.101 117 H LYS 128 H LYS 128 14.849 4.196 3.258 118 HA LYS 128 HA LYS 128 14.330 2.824 5.860 119 1HB LYS 128 2HB LYS 128 14.730 1.058 4.382 120 2HB LYS 128 1HB LYS 128 15.819 2.016 3.381 121 1HG LYS 128 2HG LYS 128 17.632 1.425 4.606 122 2HG LYS 128 1HG LYS 128 16.788 1.694 6.131 123 1HD LYS 128 2HD LYS 128 15.736 -0.629 4.725 124 2HD LYS 128 1HD LYS 128 17.465 -0.787 5.038 125 1HE LYS 128 2HE LYS 128 17.126 -1.064 7.267 126 2HE LYS 128 1HE LYS 128 15.999 0.307 7.335 127 1HZ LYS 128 1HZ LYS 128 15.341 -2.351 6.181 128 2HZ LYS 128 2HZ LYS 128 14.278 -1.043 6.390 129 3HZ LYS 128 3HZ LYS 128 14.904 -1.858 7.744 130 H CYS 129 H CYS 129 15.849 3.280 7.484 131 HA CYS 129 HA CYS 129 17.661 5.546 6.964 132 1HB CYS 129 2HB CYS 129 16.137 5.451 8.917 133 2HB CYS 129 1HB CYS 129 16.965 3.999 9.476 134 HA PRO 130 HA PRO 130 21.091 2.765 6.584 135 1HB PRO 130 2HB PRO 130 23.030 4.674 6.352 136 2HB PRO 130 1HB PRO 130 21.916 4.262 5.034 137 1HG PRO 130 2HG PRO 130 21.918 6.599 6.846 138 2HG PRO 130 1HG PRO 130 21.380 6.469 5.167 139 1HD PRO 130 2HD PRO 130 19.726 6.505 7.408 140 2HD PRO 130 1HD PRO 130 19.261 5.969 5.781 141 H VAL 131 H VAL 131 20.537 4.910 9.212 142 HA VAL 131 HA VAL 131 23.012 4.041 10.607 143 HB VAL 131 HB VAL 131 20.980 6.229 10.960 144 1HG1 VAL 131 1HG1 VAL 131 21.224 5.405 13.205 145 2HG1 VAL 131 2HG1 VAL 131 22.265 6.822 13.070 146 3HG1 VAL 131 3HG1 VAL 131 22.965 5.204 13.007 147 1HG2 VAL 131 1HG2 VAL 131 24.011 6.129 10.789 148 2HG2 VAL 131 2HG2 VAL 131 23.060 7.604 10.967 149 3HG2 VAL 131 3HG2 VAL 131 22.919 6.633 9.500 150 H CYS 132 H CYS 132 19.701 4.634 11.819 151 HA CYS 132 HA CYS 132 20.017 2.374 13.678 152 1HB CYS 132 2HB CYS 132 18.064 3.278 14.714 153 2HB CYS 132 1HB CYS 132 18.998 4.667 14.165 154 H SER 133 H SER 133 19.593 2.148 10.603 155 HA SER 133 HA SER 133 18.441 0.739 9.109 156 1HB SER 133 2HB SER 133 17.874 -1.482 10.471 157 2HB SER 133 1HB SER 133 19.534 -1.018 10.117 158 HG SER 133 HG SER 133 19.846 -0.709 12.170 159 H SER 134 H SER 134 16.686 2.652 10.720 160 HA SER 134 HA SER 134 14.210 1.166 11.195 161 1HB SER 134 2HB SER 134 15.128 4.029 11.169 162 2HB SER 134 1HB SER 134 13.404 3.671 11.232 163 HG SER 134 HG SER 134 13.651 3.150 13.245 164 H THR 135 H THR 135 12.282 2.747 9.934 165 HA THR 135 HA THR 135 12.931 3.001 7.076 166 HB THR 135 HB THR 135 10.831 0.989 7.870 167 HG1 THR 135 1HG THR 135 12.399 -0.585 7.771 168 1HG2 THR 135 1HG2 THR 135 10.853 1.799 5.555 169 2HG2 THR 135 2HG2 THR 135 11.366 0.113 5.611 170 3HG2 THR 135 3HG2 THR 135 12.563 1.393 5.414 171 H PHE 136 H PHE 136 11.011 3.768 5.836 172 HA PHE 136 HA PHE 136 8.706 4.722 7.436 173 1HB PHE 136 2HB PHE 136 10.456 6.619 5.848 174 2HB PHE 136 1HB PHE 136 9.156 7.039 6.961 175 HD1 PHE 136 1HD PHE 136 9.436 6.664 9.415 176 HD2 PHE 136 2HD PHE 136 12.659 6.091 6.633 177 HE1 PHE 136 1HE PHE 136 11.063 6.727 11.286 178 HE2 PHE 136 2HE PHE 136 14.285 6.152 8.504 179 HZ PHE 136 HZ PHE 136 13.488 6.470 10.829 180 H THR 137 H THR 137 7.084 5.800 5.936 181 HA THR 137 HA THR 137 7.324 4.780 3.122 182 HB THR 137 HB THR 137 4.657 4.660 3.662 183 HG1 THR 137 1HG THR 137 4.768 3.580 5.840 184 1HG2 THR 137 1HG2 THR 137 6.626 2.497 4.447 185 2HG2 THR 137 2HG2 THR 137 6.191 2.869 2.779 186 3HG2 THR 137 3HG2 THR 137 4.966 2.274 3.898 187 H ASP 138 H ASP 138 4.876 5.851 2.233 188 HA ASP 138 HA ASP 138 5.549 8.545 1.622 189 1HB ASP 138 2HB ASP 138 3.094 8.583 0.919 190 2HB ASP 138 1HB ASP 138 4.057 7.268 0.247 191 H LEU 139 H LEU 139 3.168 7.278 3.995 192 HA LEU 139 HA LEU 139 2.217 9.731 5.008 193 1HB LEU 139 2HB LEU 139 1.523 8.405 6.885 194 2HB LEU 139 1HB LEU 139 1.514 7.318 5.497 195 HG LEU 139 HG LEU 139 4.106 7.086 6.392 196 1HD1 LEU 139 1HD1 LEU 139 2.320 7.128 8.837 197 2HD1 LEU 139 2HD1 LEU 139 3.407 8.449 8.410 198 3HD1 LEU 139 3HD1 LEU 139 4.061 6.855 8.790 199 1HD2 LEU 139 1HD2 LEU 139 1.742 5.422 7.311 200 2HD2 LEU 139 2HD2 LEU 139 3.412 4.882 7.155 201 3HD2 LEU 139 3HD2 LEU 139 2.482 5.295 5.715 202 H GLU 140 H GLU 140 5.314 8.164 5.467 203 HA GLU 140 HA GLU 140 6.061 10.071 7.631 204 1HB GLU 140 2HB GLU 140 7.356 7.609 6.413 205 2HB GLU 140 1HB GLU 140 8.091 8.565 7.701 206 1HG GLU 140 2HG GLU 140 5.456 8.087 8.553 207 2HG GLU 140 1HG GLU 140 6.011 6.552 7.886 208 H ALA 141 H ALA 141 6.251 9.703 4.248 209 HA ALA 141 HA ALA 141 8.824 11.026 3.835 210 1HB ALA 141 1HB ALA 141 6.842 11.073 1.664 211 2HB ALA 141 2HB ALA 141 7.047 9.472 2.375 212 3HB ALA 141 3HB ALA 141 8.437 10.323 1.702 213 H ASN 142 H ASN 142 5.541 12.030 4.391 214 HA ASN 142 HA ASN 142 5.960 14.739 3.287 215 1HB ASN 142 2HB ASN 142 3.704 13.329 4.744 216 2HB ASN 142 1HB ASN 142 3.596 14.991 4.163 217 1HD2 ASN 142 1HD2 ASN 142 3.733 11.609 3.139 218 2HD2 ASN 142 2HD2 ASN 142 3.356 11.899 1.510 219 H GLN 143 H GLN 143 6.541 13.092 6.217 220 HA GLN 143 HA GLN 143 6.506 15.657 7.771 221 1HB GLN 143 2HB GLN 143 6.157 14.258 9.699 222 2HB GLN 143 1HB GLN 143 5.070 13.659 8.446 223 1HG GLN 143 2HG GLN 143 6.829 11.972 7.823 224 2HG GLN 143 1HG GLN 143 7.759 12.501 9.225 225 1HE2 GLN 143 1HE2 GLN 143 4.235 11.848 8.752 226 2HE2 GLN 143 2HE2 GLN 143 4.114 10.775 10.062 227 H LEU 144 H LEU 144 8.445 12.863 6.809 228 HA LEU 144 HA LEU 144 10.751 13.665 8.455 229 1HB LEU 144 2HB LEU 144 10.301 11.580 6.294 230 2HB LEU 144 1HB LEU 144 11.766 11.702 7.268 231 HG LEU 144 HG LEU 144 8.959 11.173 8.283 232 1HD1 LEU 144 1HD1 LEU 144 11.493 9.505 8.353 233 2HD1 LEU 144 2HD1 LEU 144 10.133 9.238 7.262 234 3HD1 LEU 144 3HD1 LEU 144 9.923 9.030 9.000 235 1HD2 LEU 144 1HD2 LEU 144 11.341 12.264 9.586 236 2HD2 LEU 144 2HD2 LEU 144 10.779 10.780 10.355 237 3HD2 LEU 144 3HD2 LEU 144 9.687 12.153 10.190 238 H PHE 145 H PHE 145 9.535 14.260 5.253 239 HA PHE 145 HA PHE 145 12.018 14.886 3.929 240 1HB PHE 145 2HB PHE 145 9.850 14.358 2.839 241 2HB PHE 145 1HB PHE 145 9.181 15.863 3.467 242 HD1 PHE 145 1HD PHE 145 11.601 14.379 1.104 243 HD2 PHE 145 2HD PHE 145 9.812 18.012 2.537 244 HE1 PHE 145 1HE PHE 145 12.527 15.602 -0.844 245 HE2 PHE 145 2HE PHE 145 10.737 19.236 0.590 246 HZ PHE 145 HZ PHE 145 12.095 18.032 -1.102 247 H ASP 146 H ASP 146 13.245 16.734 4.073 248 HA ASP 146 HA ASP 146 12.062 19.089 5.513 249 1HB ASP 146 2HB ASP 146 14.486 17.484 5.859 250 2HB ASP 146 1HB ASP 146 14.835 19.210 5.749 251 HA PRO 147 HA PRO 147 13.010 21.284 1.805 252 1HB PRO 147 2HB PRO 147 12.823 23.824 2.800 253 2HB PRO 147 1HB PRO 147 11.405 22.805 2.484 254 1HG PRO 147 2HG PRO 147 12.758 23.422 5.056 255 2HG PRO 147 1HG PRO 147 11.036 23.202 4.708 256 1HD PRO 147 2HD PRO 147 12.634 21.298 5.876 257 2HD PRO 147 1HD PRO 147 11.145 20.941 4.975 258 H MET 148 H MET 148 15.053 20.982 4.420 259 HA MET 148 HA MET 148 17.057 22.958 3.440 260 1HB MET 148 2HB MET 148 18.131 22.507 5.575 261 2HB MET 148 1HB MET 148 16.406 22.741 5.863 262 1HG MET 148 2HG MET 148 16.181 20.648 6.663 263 2HG MET 148 1HG MET 148 16.992 19.962 5.255 264 1HE MET 148 1HE MET 148 17.063 19.435 8.659 265 2HE MET 148 2HE MET 148 18.635 18.638 8.657 266 3HE MET 148 3HE MET 148 17.472 18.281 7.383 267 H THR 149 H THR 149 16.258 19.666 3.080 268 HA THR 149 HA THR 149 18.985 19.119 1.977 269 HB THR 149 HB THR 149 18.810 18.193 4.245 270 HG1 THR 149 1HG THR 149 19.522 16.244 3.683 271 1HG2 THR 149 1HG2 THR 149 16.993 17.061 5.033 272 2HG2 THR 149 2HG2 THR 149 16.684 16.272 3.487 273 3HG2 THR 149 3HG2 THR 149 16.160 17.934 3.748 274 H GLY 150 H GLY 150 15.728 19.276 1.358 275 1HA GLY 150 2HA GLY 150 14.340 18.337 -0.287 276 2HA GLY 150 1HA GLY 150 15.831 18.168 -1.214 277 H THR 151 H THR 151 15.633 16.535 1.841 278 HA THR 151 HA THR 151 14.990 13.958 0.456 279 HB THR 151 HB THR 151 16.940 13.354 2.348 280 HG1 THR 151 1HG THR 151 18.596 14.903 1.669 281 1HG2 THR 151 1HG2 THR 151 17.488 14.018 -0.551 282 2HG2 THR 151 2HG2 THR 151 16.626 12.563 -0.049 283 3HG2 THR 151 3HG2 THR 151 18.297 12.815 0.453 284 H PHE 152 H PHE 152 15.010 12.202 2.454 285 HA PHE 152 HA PHE 152 13.056 13.310 4.426 286 1HB PHE 152 2HB PHE 152 13.709 10.466 3.591 287 2HB PHE 152 1HB PHE 152 12.348 10.964 4.595 288 HD1 PHE 152 1HD PHE 152 13.530 10.458 1.241 289 HD2 PHE 152 2HD PHE 152 10.662 12.630 3.590 290 HE1 PHE 152 1HE PHE 152 12.183 10.885 -0.797 291 HE2 PHE 152 2HE PHE 152 9.315 13.056 1.550 292 HZ PHE 152 HZ PHE 152 10.076 12.183 -0.642 293 H ARG 153 H ARG 153 13.677 13.448 6.562 294 HA ARG 153 HA ARG 153 16.296 12.234 7.324 295 1HB ARG 153 2HB ARG 153 14.637 14.581 8.154 296 2HB ARG 153 1HB ARG 153 15.714 13.867 9.355 297 1HG ARG 153 2HG ARG 153 17.228 14.020 6.984 298 2HG ARG 153 1HG ARG 153 16.376 15.561 7.104 299 1HD ARG 153 2HD ARG 153 18.015 14.310 9.341 300 2HD ARG 153 1HD ARG 153 18.546 15.655 8.311 301 HE ARG 153 HE ARG 153 15.966 16.266 9.390 302 1HH1 ARG 153 1HH2 ARG 153 19.299 15.948 10.237 303 2HH1 ARG 153 2HH2 ARG 153 19.202 17.060 11.560 304 1HH2 ARG 153 1HH1 ARG 153 15.823 17.699 11.128 305 2HH2 ARG 153 2HH1 ARG 153 17.237 18.049 12.066 306 H CYS 154 H CYS 154 16.416 10.733 8.965 307 HA CYS 154 HA CYS 154 14.327 9.033 9.696 308 1HB CYS 154 2HB CYS 154 16.853 8.901 10.065 309 2HB CYS 154 1HB CYS 154 16.603 9.913 11.485 310 H THR 155 H THR 155 13.507 8.876 12.130 311 HA THR 155 HA THR 155 12.598 11.614 12.953 312 HB THR 155 HB THR 155 10.896 9.475 13.872 313 HG1 THR 155 1HG THR 155 10.256 8.955 11.614 314 1HG2 THR 155 1HG2 THR 155 10.736 11.933 12.186 315 2HG2 THR 155 2HG2 THR 155 9.837 11.511 13.643 316 3HG2 THR 155 3HG2 THR 155 9.402 10.784 12.095 317 H PHE 156 H PHE 156 14.130 8.664 13.967 318 HA PHE 156 HA PHE 156 13.971 9.556 16.810 319 1HB PHE 156 2HB PHE 156 15.040 6.965 16.695 320 2HB PHE 156 1HB PHE 156 13.421 7.412 17.199 321 HD1 PHE 156 1HD PHE 156 11.548 6.732 15.953 322 HD2 PHE 156 2HD PHE 156 15.449 6.611 14.163 323 HE1 PHE 156 1HE PHE 156 10.604 5.572 13.975 324 HE2 PHE 156 2HE PHE 156 14.505 5.464 12.187 325 HZ PHE 156 HZ PHE 156 12.083 4.936 12.089 326 H CYS 157 H CYS 157 16.177 8.385 14.299 327 HA CYS 157 HA CYS 157 18.441 9.399 15.967 328 1HB CYS 157 2HB CYS 157 19.565 7.501 15.402 329 2HB CYS 157 1HB CYS 157 17.973 6.885 14.995 330 H HIS 158 H HIS 158 16.543 10.681 13.930 331 HA HIS 158 HA HIS 158 16.645 12.066 11.995 332 1HB HIS 158 2HB HIS 158 18.658 12.850 14.078 333 2HB HIS 158 1HB HIS 158 18.466 13.838 12.629 334 HD1 HIS 158 1HD HIS 158 16.498 15.406 12.571 335 HD2 HIS 158 2HD HIS 158 16.121 12.536 15.571 336 HE1 HIS 158 1HE HIS 158 14.427 16.020 13.895 337 H THR 159 H THR 159 18.383 9.592 11.568 338 HA THR 159 HA THR 159 20.751 10.653 10.171 339 HB THR 159 HB THR 159 19.462 7.964 10.614 340 HG1 THR 159 1HG THR 159 21.075 9.303 11.996 341 1HG2 THR 159 1HG2 THR 159 21.978 8.395 8.995 342 2HG2 THR 159 2HG2 THR 159 20.398 8.158 8.251 343 3HG2 THR 159 3HG2 THR 159 21.102 6.887 9.242 344 H GLU 160 H GLU 160 20.961 10.689 7.864 345 HA GLU 160 HA GLU 160 18.642 11.354 6.337 346 1HB GLU 160 2HB GLU 160 20.841 12.122 5.724 347 2HB GLU 160 1HB GLU 160 21.454 10.470 5.629 348 1HG GLU 160 2HG GLU 160 20.690 10.205 3.518 349 2HG GLU 160 1HG GLU 160 19.117 10.896 3.920 350 H VAL 161 H VAL 161 17.031 9.896 5.866 351 HA VAL 161 HA VAL 161 17.594 7.015 5.638 352 HB VAL 161 HB VAL 161 15.159 6.883 5.463 353 1HG1 VAL 161 1HG1 VAL 161 15.806 9.129 7.386 354 2HG1 VAL 161 2HG1 VAL 161 16.278 7.456 7.682 355 3HG1 VAL 161 3HG1 VAL 161 14.571 7.882 7.559 356 1HG2 VAL 161 1HG2 VAL 161 15.514 9.533 4.361 357 2HG2 VAL 161 2HG2 VAL 161 14.349 9.581 5.684 358 3HG2 VAL 161 3HG2 VAL 161 14.085 8.499 4.316 359 H GLU 162 H GLU 162 16.879 5.803 3.677 360 HA GLU 162 HA GLU 162 16.963 7.435 1.166 361 1HB GLU 162 2HB GLU 162 18.706 5.195 2.134 362 2HB GLU 162 1HB GLU 162 18.385 5.321 0.403 363 1HG GLU 162 2HG GLU 162 19.748 7.108 0.186 364 2HG GLU 162 1HG GLU 162 19.034 7.910 1.586 365 H GLU 163 H GLU 163 15.848 6.436 -0.621 366 HA GLU 163 HA GLU 163 13.458 5.069 -0.113 367 1HB GLU 163 2HB GLU 163 15.206 5.712 -2.379 368 2HB GLU 163 1HB GLU 163 14.245 4.258 -2.653 369 1HG GLU 163 2HG GLU 163 12.619 6.301 -1.412 370 2HG GLU 163 1HG GLU 163 13.377 6.934 -2.874 371 H ASP 164 H ASP 164 12.918 2.910 0.188 372 HA ASP 164 HA ASP 164 15.153 0.981 0.503 373 1HB ASP 164 2HB ASP 164 13.339 1.422 2.223 374 2HB ASP 164 1HB ASP 164 12.196 0.682 1.101 375 H GLU 165 H GLU 165 15.663 0.204 -1.569 376 HA GLU 165 HA GLU 165 13.475 -0.625 -3.393 377 1HB GLU 165 2HB GLU 165 16.434 -0.155 -3.513 378 2HB GLU 165 1HB GLU 165 15.698 -1.186 -4.740 379 1HG GLU 165 2HG GLU 165 14.326 0.546 -5.552 380 2HG GLU 165 1HG GLU 165 14.511 1.504 -4.082 381 H SER 166 H SER 166 14.549 -2.045 -0.767 382 HA SER 166 HA SER 166 14.491 -4.775 -1.976 383 1HB SER 166 2HB SER 166 16.689 -3.397 -0.570 384 2HB SER 166 1HB SER 166 16.344 -5.012 0.040 385 HG SER 166 HG SER 166 16.845 -4.270 -2.658 386 H ALA 167 H ALA 167 12.290 -3.671 -0.727 387 HA ALA 167 HA ALA 167 12.312 -4.383 2.138 388 1HB ALA 167 1HB ALA 167 11.029 -2.489 1.711 389 2HB ALA 167 2HB ALA 167 9.782 -3.735 1.651 390 3HB ALA 167 3HB ALA 167 10.466 -3.099 0.155 391 H MET 168 H MET 168 12.698 -6.512 0.043 392 HA MET 168 HA MET 168 10.491 -8.300 0.958 393 1HB MET 168 2HB MET 168 11.124 -7.342 -1.777 394 2HB MET 168 1HB MET 168 10.798 -9.070 -1.634 395 1HG MET 168 2HG MET 168 8.601 -8.576 -1.622 396 2HG MET 168 1HG MET 168 8.844 -7.824 -0.045 397 1HE MET 168 1HE MET 168 7.828 -4.959 0.010 398 2HE MET 168 2HE MET 168 7.163 -6.586 -0.092 399 3HE MET 168 3HE MET 168 6.627 -5.350 -1.227 400 HA PRO 169 HA PRO 169 13.662 -11.311 1.262 401 1HB PRO 169 2HB PRO 169 12.441 -13.595 0.377 402 2HB PRO 169 1HB PRO 169 12.051 -12.829 1.930 403 1HG PRO 169 2HG PRO 169 10.575 -12.743 -0.646 404 2HG PRO 169 1HG PRO 169 9.957 -12.789 1.012 405 1HD PRO 169 2HD PRO 169 10.074 -10.520 -0.529 406 2HD PRO 169 1HD PRO 169 10.060 -10.525 1.247 407 H LYS 170 H LYS 170 14.192 -9.826 -0.977 408 HA LYS 170 HA LYS 170 15.093 -9.888 -3.175 409 1HB LYS 170 2HB LYS 170 16.294 -11.707 -1.329 410 2HB LYS 170 1HB LYS 170 16.303 -12.474 -2.917 411 1HG LYS 170 2HG LYS 170 17.751 -10.940 -3.798 412 2HG LYS 170 1HG LYS 170 17.060 -9.607 -2.871 413 1HD LYS 170 2HD LYS 170 18.888 -9.755 -1.550 414 2HD LYS 170 1HD LYS 170 18.181 -11.243 -0.921 415 1HE LYS 170 2HE LYS 170 19.299 -12.380 -2.993 416 2HE LYS 170 1HE LYS 170 20.305 -10.917 -3.035 417 1HZ LYS 170 1HZ LYS 170 20.121 -12.985 -0.973 418 2HZ LYS 170 2HZ LYS 170 20.361 -11.385 -0.455 419 3HZ LYS 170 3HZ LYS 170 21.474 -12.115 -1.511 420 H LYS 171 H LYS 171 15.639 -12.077 -4.851 421 HA LYS 171 HA LYS 171 12.920 -13.270 -5.302 422 1HB LYS 171 2HB LYS 171 13.741 -11.288 -6.765 423 2HB LYS 171 1HB LYS 171 14.854 -12.458 -7.475 424 1HG LYS 171 2HG LYS 171 12.984 -13.903 -8.111 425 2HG LYS 171 1HG LYS 171 11.844 -12.801 -7.335 426 1HD LYS 171 2HD LYS 171 13.225 -11.101 -8.993 427 2HD LYS 171 1HD LYS 171 13.175 -12.582 -9.952 428 1HE LYS 171 2HE LYS 171 10.601 -12.101 -8.687 429 2HE LYS 171 1HE LYS 171 11.092 -10.719 -9.687 430 1HZ LYS 171 1HZ LYS 171 11.808 -12.484 -11.363 431 2HZ LYS 171 2HZ LYS 171 10.140 -12.195 -11.204 432 3HZ LYS 171 3HZ LYS 171 10.842 -13.559 -10.474 433 H ASP 172 H ASP 172 13.000 -15.328 -6.519 434 HA ASP 172 HA ASP 172 15.546 -16.815 -5.997 435 1HB ASP 172 2HB ASP 172 13.079 -17.294 -5.058 436 2HB ASP 172 1HB ASP 172 12.943 -18.157 -6.591 437 H ALA 173 H ALA 173 15.547 -15.293 -8.333 438 HA ALA 173 HA ALA 173 14.570 -16.816 -10.622 439 1HB ALA 173 1HB ALA 173 15.991 -15.079 -11.822 440 2HB ALA 173 2HB ALA 173 16.456 -14.475 -10.232 441 3HB ALA 173 3HB ALA 173 14.769 -14.415 -10.739 442 H ARG 174 H ARG 174 15.787 -18.835 -9.605 443 HA ARG 174 HA ARG 174 17.548 -20.399 -9.823 444 1HB ARG 174 2HB ARG 174 16.990 -19.170 -12.246 445 2HB ARG 174 1HB ARG 174 18.741 -18.999 -12.111 446 1HG ARG 174 2HG ARG 174 18.531 -21.557 -11.336 447 2HG ARG 174 1HG ARG 174 17.091 -21.470 -12.352 448 1HD ARG 174 2HD ARG 174 19.146 -20.150 -13.794 449 2HD ARG 174 1HD ARG 174 19.845 -21.663 -13.184 450 HE ARG 174 HE ARG 174 17.157 -22.050 -14.216 451 1HH1 ARG 174 1HH2 ARG 174 19.073 -20.626 -16.255 452 2HH1 ARG 174 2HH2 ARG 174 19.572 -21.999 -17.186 453 1HH2 ARG 174 1HH1 ARG 174 18.406 -24.314 -14.883 454 2HH2 ARG 174 2HH1 ARG 174 19.194 -24.089 -16.408 Start of MODEL 6 1 1H ARG 113 1HT ARG 113 -11.273 18.781 -4.729 2 2H ARG 113 2HT ARG 113 -12.303 19.784 -3.825 3 3H ARG 113 3HT ARG 113 -10.843 20.395 -4.441 4 HA ARG 113 HA ARG 113 -12.629 19.290 -6.446 5 1HB ARG 113 2HB ARG 113 -14.158 20.290 -4.752 6 2HB ARG 113 1HB ARG 113 -13.276 21.812 -4.884 7 1HG ARG 113 2HG ARG 113 -14.087 22.258 -7.009 8 2HG ARG 113 1HG ARG 113 -14.324 20.551 -7.389 9 1HD ARG 113 2HD ARG 113 -16.492 20.717 -6.774 10 2HD ARG 113 1HD ARG 113 -15.993 21.222 -5.148 11 HE ARG 113 HE ARG 113 -15.647 23.416 -6.953 12 1HH1 ARG 113 1HH1 ARG 113 -17.238 22.871 -4.235 13 2HH1 ARG 113 2HH1 ARG 113 -18.767 23.543 -4.693 14 1HH2 ARG 113 1HH2 ARG 113 -17.984 23.699 -8.068 15 2HH2 ARG 113 2HH2 ARG 113 -19.190 24.010 -6.865 16 H ILE 114 H ILE 114 -10.909 22.139 -5.127 17 HA ILE 114 HA ILE 114 -9.713 22.550 -7.843 18 HB ILE 114 HB ILE 114 -10.050 25.012 -7.415 19 1HG1 ILE 114 2HG1 ILE 114 -11.673 23.931 -5.088 20 2HG1 ILE 114 1HG1 ILE 114 -10.224 24.930 -4.974 21 1HG2 ILE 114 1HG2 ILE 114 -12.719 23.645 -7.220 22 2HG2 ILE 114 2HG2 ILE 114 -11.694 23.363 -8.627 23 3HG2 ILE 114 3HG2 ILE 114 -12.234 24.997 -8.244 24 1HD1 ILE 114 1HD1 ILE 114 -12.807 25.782 -6.320 25 2HD1 ILE 114 2HD1 ILE 114 -11.371 26.779 -6.093 26 3HD1 ILE 114 3HD1 ILE 114 -12.314 26.262 -4.697 27 H GLU 115 H GLU 115 -7.514 22.585 -7.664 28 HA GLU 115 HA GLU 115 -6.250 23.843 -5.289 29 1HB GLU 115 2HB GLU 115 -4.858 21.736 -5.025 30 2HB GLU 115 1HB GLU 115 -6.563 21.544 -4.613 31 1HG GLU 115 2HG GLU 115 -5.794 21.038 -7.448 32 2HG GLU 115 1HG GLU 115 -5.296 19.838 -6.255 33 H THR 116 H THR 116 -3.697 23.582 -5.671 34 HA THR 116 HA THR 116 -3.043 24.956 -8.090 35 HB THR 116 HB THR 116 -1.717 25.090 -6.049 36 HG1 THR 116 1HG THR 116 0.311 24.704 -6.965 37 1HG2 THR 116 1HG2 THR 116 -1.413 23.241 -4.810 38 2HG2 THR 116 2HG2 THR 116 -0.321 22.619 -6.049 39 3HG2 THR 116 3HG2 THR 116 -2.042 22.237 -6.116 40 H ASP 117 H ASP 117 -0.762 23.596 -9.055 41 HA ASP 117 HA ASP 117 -2.062 21.410 -10.603 42 1HB ASP 117 2HB ASP 117 0.067 23.430 -10.968 43 2HB ASP 117 1HB ASP 117 0.400 21.865 -11.711 44 H GLU 118 H GLU 118 -0.256 19.675 -11.271 45 HA GLU 118 HA GLU 118 1.713 19.016 -9.223 46 1HB GLU 118 2HB GLU 118 -0.342 18.460 -8.031 47 2HB GLU 118 1HB GLU 118 -0.921 17.518 -9.406 48 1HG GLU 118 2HG GLU 118 0.863 15.905 -9.137 49 2HG GLU 118 1HG GLU 118 1.629 16.895 -7.893 50 H ARG 119 H ARG 119 3.109 17.364 -9.982 51 HA ARG 119 HA ARG 119 2.472 15.453 -12.011 52 1HB ARG 119 2HB ARG 119 2.717 18.147 -12.880 53 2HB ARG 119 1HB ARG 119 4.148 17.294 -13.459 54 1HG ARG 119 2HG ARG 119 1.437 16.032 -13.765 55 2HG ARG 119 1HG ARG 119 1.966 17.263 -14.913 56 1HD ARG 119 2HD ARG 119 4.117 15.882 -15.180 57 2HD ARG 119 1HD ARG 119 3.251 14.582 -14.336 58 HE ARG 119 HE ARG 119 1.508 15.559 -16.333 59 1HH1 ARG 119 1HH2 ARG 119 2.736 12.727 -15.909 60 2HH1 ARG 119 2HH2 ARG 119 3.420 12.461 -17.477 61 1HH2 ARG 119 1HH1 ARG 119 3.178 15.783 -18.441 62 2HH2 ARG 119 2HH1 ARG 119 3.670 14.189 -18.910 63 H ASP 120 H ASP 120 4.214 14.041 -12.276 64 HA ASP 120 HA ASP 120 6.258 13.036 -11.599 65 1HB ASP 120 2HB ASP 120 6.619 14.750 -13.532 66 2HB ASP 120 1HB ASP 120 7.390 15.744 -12.296 67 H SER 121 H SER 121 5.422 13.274 -9.249 68 HA SER 121 HA SER 121 7.198 15.156 -7.725 69 1HB SER 121 2HB SER 121 4.493 14.006 -6.970 70 2HB SER 121 1HB SER 121 5.393 15.229 -6.078 71 HG SER 121 HG SER 121 3.811 15.464 -8.294 72 H THR 122 H THR 122 8.292 14.265 -5.917 73 HA THR 122 HA THR 122 8.041 11.294 -5.571 74 HB THR 122 HB THR 122 10.568 11.489 -5.128 75 HG1 THR 122 1HG THR 122 11.019 13.561 -4.942 76 1HG2 THR 122 1HG2 THR 122 9.079 11.614 -7.655 77 2HG2 THR 122 2HG2 THR 122 10.377 10.525 -7.168 78 3HG2 THR 122 3HG2 THR 122 10.761 12.125 -7.802 79 H ASN 123 H ASN 123 6.539 12.849 -3.900 80 HA ASN 123 HA ASN 123 8.165 13.150 -1.400 81 1HB ASN 123 2HB ASN 123 5.463 14.277 -2.205 82 2HB ASN 123 1HB ASN 123 6.342 14.672 -0.728 83 1HD2 ASN 123 1HD2 ASN 123 6.085 16.952 -1.841 84 2HD2 ASN 123 2HD2 ASN 123 7.346 17.416 -2.880 85 H ARG 124 H ARG 124 6.914 10.620 -2.573 86 HA ARG 124 HA ARG 124 5.654 9.705 -0.069 87 1HB ARG 124 2HB ARG 124 3.655 8.890 -1.512 88 2HB ARG 124 1HB ARG 124 3.716 10.602 -1.092 89 1HG ARG 124 2HG ARG 124 4.376 11.243 -3.242 90 2HG ARG 124 1HG ARG 124 5.011 9.643 -3.630 91 1HD ARG 124 2HD ARG 124 2.996 8.925 -4.399 92 2HD ARG 124 1HD ARG 124 2.135 9.617 -3.009 93 HE ARG 124 HE ARG 124 2.261 11.827 -4.153 94 1HH1 ARG 124 1HH2 ARG 124 4.436 11.045 -6.110 95 2HH1 ARG 124 2HH2 ARG 124 3.533 10.867 -7.577 96 1HH2 ARG 124 1HH1 ARG 124 0.461 10.714 -5.978 97 2HH2 ARG 124 2HH1 ARG 124 1.282 10.680 -7.503 98 H ALA 125 H ALA 125 6.917 7.897 0.203 99 HA ALA 125 HA ALA 125 6.665 5.635 -1.574 100 1HB ALA 125 1HB ALA 125 8.141 6.538 -3.094 101 2HB ALA 125 2HB ALA 125 9.329 5.866 -1.977 102 3HB ALA 125 3HB ALA 125 8.903 7.575 -1.888 103 H SER 126 H SER 126 9.019 4.274 -0.972 104 HA SER 126 HA SER 126 8.787 3.989 1.991 105 1HB SER 126 2HB SER 126 10.031 2.154 -0.078 106 2HB SER 126 1HB SER 126 9.579 1.736 1.573 107 HG SER 126 HG SER 126 7.857 2.514 -0.551 108 H PHE 127 H PHE 127 10.591 4.317 3.303 109 HA PHE 127 HA PHE 127 13.228 4.774 1.959 110 1HB PHE 127 2HB PHE 127 12.099 6.472 4.196 111 2HB PHE 127 1HB PHE 127 13.493 6.823 3.175 112 HD1 PHE 127 1HD PHE 127 13.194 7.461 0.803 113 HD2 PHE 127 2HD PHE 127 9.840 6.842 3.415 114 HE1 PHE 127 1HE PHE 127 11.716 8.617 -0.819 115 HE2 PHE 127 2HE PHE 127 8.363 7.999 1.793 116 HZ PHE 127 HZ PHE 127 9.301 8.886 -0.324 117 H LYS 128 H LYS 128 15.056 4.379 3.374 118 HA LYS 128 HA LYS 128 14.412 3.031 5.954 119 1HB LYS 128 2HB LYS 128 14.727 1.217 4.499 120 2HB LYS 128 1HB LYS 128 15.944 2.068 3.553 121 1HG LYS 128 2HG LYS 128 17.614 1.298 4.861 122 2HG LYS 128 1HG LYS 128 16.768 1.779 6.330 123 1HD LYS 128 2HD LYS 128 15.327 -0.419 5.321 124 2HD LYS 128 1HD LYS 128 17.029 -0.856 5.168 125 1HE LYS 128 2HE LYS 128 17.403 -0.303 7.543 126 2HE LYS 128 1HE LYS 128 15.696 0.158 7.705 127 1HZ LYS 128 1HZ LYS 128 14.994 -2.010 7.209 128 2HZ LYS 128 2HZ LYS 128 16.277 -2.223 8.302 129 3HZ LYS 128 3HZ LYS 128 16.522 -2.479 6.639 130 H CYS 129 H CYS 129 15.945 3.418 7.585 131 HA CYS 129 HA CYS 129 17.896 5.568 7.049 132 1HB CYS 129 2HB CYS 129 16.272 5.584 8.952 133 2HB CYS 129 1HB CYS 129 17.071 4.154 9.600 134 HA PRO 130 HA PRO 130 21.136 2.534 6.858 135 1HB PRO 130 2HB PRO 130 23.215 4.292 6.634 136 2HB PRO 130 1HB PRO 130 22.124 3.909 5.289 137 1HG PRO 130 2HG PRO 130 22.199 6.298 7.040 138 2HG PRO 130 1HG PRO 130 21.766 6.161 5.331 139 1HD PRO 130 2HD PRO 130 19.962 6.396 7.417 140 2HD PRO 130 1HD PRO 130 19.580 5.764 5.801 141 H VAL 131 H VAL 131 20.929 5.092 9.253 142 HA VAL 131 HA VAL 131 23.187 4.059 10.824 143 HB VAL 131 HB VAL 131 21.161 6.269 11.092 144 1HG1 VAL 131 1HG1 VAL 131 22.909 5.056 13.200 145 2HG1 VAL 131 2HG1 VAL 131 21.303 5.770 13.354 146 3HG1 VAL 131 3HG1 VAL 131 22.718 6.809 13.178 147 1HG2 VAL 131 1HG2 VAL 131 24.188 6.328 11.161 148 2HG2 VAL 131 2HG2 VAL 131 23.092 7.681 10.885 149 3HG2 VAL 131 3HG2 VAL 131 23.271 6.427 9.658 150 H CYS 132 H CYS 132 19.837 4.721 11.889 151 HA CYS 132 HA CYS 132 20.068 2.480 13.790 152 1HB CYS 132 2HB CYS 132 18.134 3.440 14.793 153 2HB CYS 132 1HB CYS 132 19.092 4.805 14.230 154 H SER 133 H SER 133 19.697 2.272 10.704 155 HA SER 133 HA SER 133 18.544 0.880 9.191 156 1HB SER 133 2HB SER 133 17.951 -1.339 10.561 157 2HB SER 133 1HB SER 133 19.610 -0.895 10.183 158 HG SER 133 HG SER 133 19.872 -0.906 12.264 159 H SER 134 H SER 134 16.786 2.787 10.825 160 HA SER 134 HA SER 134 14.306 1.331 11.304 161 1HB SER 134 2HB SER 134 15.254 4.175 11.206 162 2HB SER 134 1HB SER 134 13.521 3.858 11.209 163 HG SER 134 HG SER 134 13.918 2.544 13.096 164 H THR 135 H THR 135 12.334 2.698 10.003 165 HA THR 135 HA THR 135 12.978 2.956 7.137 166 HB THR 135 HB THR 135 10.974 0.868 7.974 167 HG1 THR 135 1HG THR 135 12.797 0.117 8.902 168 1HG2 THR 135 1HG2 THR 135 11.313 0.044 5.750 169 2HG2 THR 135 2HG2 THR 135 12.737 1.060 5.524 170 3HG2 THR 135 3HG2 THR 135 11.134 1.792 5.612 171 H PHE 136 H PHE 136 11.075 3.697 5.897 172 HA PHE 136 HA PHE 136 8.693 4.513 7.462 173 1HB PHE 136 2HB PHE 136 10.387 6.522 5.957 174 2HB PHE 136 1HB PHE 136 9.049 6.855 7.056 175 HD1 PHE 136 1HD PHE 136 9.312 6.555 9.492 176 HD2 PHE 136 2HD PHE 136 12.591 5.947 6.785 177 HE1 PHE 136 1HE PHE 136 10.900 6.639 11.395 178 HE2 PHE 136 2HE PHE 136 14.179 6.030 8.688 179 HZ PHE 136 HZ PHE 136 13.333 6.376 10.993 180 H THR 137 H THR 137 7.036 5.498 5.983 181 HA THR 137 HA THR 137 7.335 4.506 3.164 182 HB THR 137 HB THR 137 4.638 4.573 3.701 183 HG1 THR 137 1HG THR 137 4.760 3.382 5.845 184 1HG2 THR 137 1HG2 THR 137 6.622 2.664 3.177 185 2HG2 THR 137 2HG2 THR 137 4.877 2.406 3.145 186 3HG2 THR 137 3HG2 THR 137 5.793 2.073 4.616 187 H ASP 138 H ASP 138 4.976 5.678 2.179 188 HA ASP 138 HA ASP 138 5.795 8.354 1.607 189 1HB ASP 138 2HB ASP 138 3.375 8.468 0.759 190 2HB ASP 138 1HB ASP 138 4.372 7.170 0.102 191 H LEU 139 H LEU 139 3.197 7.143 3.758 192 HA LEU 139 HA LEU 139 2.229 9.579 4.756 193 1HB LEU 139 2HB LEU 139 2.572 6.785 5.779 194 2HB LEU 139 1HB LEU 139 2.031 8.024 6.914 195 HG LEU 139 HG LEU 139 0.729 7.373 4.254 196 1HD1 LEU 139 1HD1 LEU 139 -0.591 5.931 5.376 197 2HD1 LEU 139 2HD1 LEU 139 -0.908 7.122 6.638 198 3HD1 LEU 139 3HD1 LEU 139 0.515 6.087 6.741 199 1HD2 LEU 139 1HD2 LEU 139 0.579 9.667 6.058 200 2HD2 LEU 139 2HD2 LEU 139 -0.994 8.908 5.823 201 3HD2 LEU 139 3HD2 LEU 139 -0.077 9.483 4.432 202 H GLU 140 H GLU 140 5.110 7.745 5.762 203 HA GLU 140 HA GLU 140 5.806 9.652 7.875 204 1HB GLU 140 2HB GLU 140 7.343 7.405 6.524 205 2HB GLU 140 1HB GLU 140 7.800 8.191 8.036 206 1HG GLU 140 2HG GLU 140 5.026 7.143 7.915 207 2HG GLU 140 1HG GLU 140 6.306 5.929 7.939 208 H ALA 141 H ALA 141 6.214 9.453 4.474 209 HA ALA 141 HA ALA 141 8.726 10.881 4.224 210 1HB ALA 141 1HB ALA 141 8.364 10.235 2.083 211 2HB ALA 141 2HB ALA 141 6.885 11.193 2.004 212 3HB ALA 141 3HB ALA 141 6.832 9.539 2.611 213 H ASN 142 H ASN 142 5.293 11.825 4.226 214 HA ASN 142 HA ASN 142 5.793 14.627 3.650 215 1HB ASN 142 2HB ASN 142 3.491 12.982 4.717 216 2HB ASN 142 1HB ASN 142 3.362 14.730 4.515 217 1HD2 ASN 142 1HD2 ASN 142 2.145 12.306 2.971 218 2HD2 ASN 142 2HD2 ASN 142 2.469 12.678 1.346 219 H GLN 143 H GLN 143 6.148 12.690 6.461 220 HA GLN 143 HA GLN 143 5.977 15.090 8.242 221 1HB GLN 143 2HB GLN 143 5.374 13.590 9.942 222 2HB GLN 143 1HB GLN 143 4.659 12.827 8.524 223 1HG GLN 143 2HG GLN 143 6.642 11.370 8.305 224 2HG GLN 143 1HG GLN 143 7.357 12.130 9.727 225 1HE2 GLN 143 1HE2 GLN 143 4.242 10.537 8.808 226 2HE2 GLN 143 2HE2 GLN 143 4.063 9.716 10.283 227 H LEU 144 H LEU 144 8.185 13.042 6.663 228 HA LEU 144 HA LEU 144 10.350 13.636 8.652 229 1HB LEU 144 2HB LEU 144 9.908 11.528 6.527 230 2HB LEU 144 1HB LEU 144 11.486 11.774 7.274 231 HG LEU 144 HG LEU 144 8.903 11.033 8.673 232 1HD1 LEU 144 1HD1 LEU 144 9.970 9.122 7.658 233 2HD1 LEU 144 2HD1 LEU 144 10.338 9.070 9.382 234 3HD1 LEU 144 3HD1 LEU 144 11.555 9.634 8.237 235 1HD2 LEU 144 1HD2 LEU 144 11.350 12.346 9.639 236 2HD2 LEU 144 2HD2 LEU 144 10.950 10.875 10.525 237 3HD2 LEU 144 3HD2 LEU 144 9.778 12.187 10.422 238 H PHE 145 H PHE 145 9.321 14.014 5.311 239 HA PHE 145 HA PHE 145 11.670 14.745 3.989 240 1HB PHE 145 2HB PHE 145 9.384 14.515 3.037 241 2HB PHE 145 1HB PHE 145 8.923 16.027 3.818 242 HD1 PHE 145 1HD PHE 145 11.070 14.503 1.213 243 HD2 PHE 145 2HD PHE 145 9.645 18.158 2.962 244 HE1 PHE 145 1HE PHE 145 11.978 15.778 -0.711 245 HE2 PHE 145 2HE PHE 145 10.553 19.433 1.040 246 HZ PHE 145 HZ PHE 145 11.719 18.244 -0.798 247 H ASP 146 H ASP 146 12.840 16.699 3.778 248 HA ASP 146 HA ASP 146 12.092 18.949 5.599 249 1HB ASP 146 2HB ASP 146 14.276 17.048 5.810 250 2HB ASP 146 1HB ASP 146 14.898 18.690 5.647 251 HA PRO 147 HA PRO 147 13.113 21.144 1.888 252 1HB PRO 147 2HB PRO 147 12.853 23.667 2.908 253 2HB PRO 147 1HB PRO 147 11.462 22.640 2.510 254 1HG PRO 147 2HG PRO 147 12.676 23.243 5.151 255 2HG PRO 147 1HG PRO 147 10.979 22.992 4.717 256 1HD PRO 147 2HD PRO 147 12.574 21.108 5.936 257 2HD PRO 147 1HD PRO 147 11.118 20.736 4.989 258 H MET 148 H MET 148 15.031 20.789 4.574 259 HA MET 148 HA MET 148 17.070 22.794 3.722 260 1HB MET 148 2HB MET 148 17.990 22.419 5.917 261 2HB MET 148 1HB MET 148 16.240 22.521 6.112 262 1HG MET 148 2HG MET 148 16.095 20.054 6.072 263 2HG MET 148 1HG MET 148 17.847 19.957 5.899 264 1HE MET 148 1HE MET 148 18.538 18.801 7.361 265 2HE MET 148 2HE MET 148 18.125 18.660 9.069 266 3HE MET 148 3HE MET 148 19.396 19.772 8.566 267 H THR 149 H THR 149 16.314 19.476 3.372 268 HA THR 149 HA THR 149 19.126 18.925 2.486 269 HB THR 149 HB THR 149 18.735 17.869 4.639 270 HG1 THR 149 1HG THR 149 19.028 15.730 4.013 271 1HG2 THR 149 1HG2 THR 149 16.618 17.395 5.225 272 2HG2 THR 149 2HG2 THR 149 16.677 16.013 4.131 273 3HG2 THR 149 3HG2 THR 149 16.074 17.567 3.557 274 H GLY 150 H GLY 150 15.944 19.190 1.552 275 1HA GLY 150 2HA GLY 150 14.750 18.449 -0.328 276 2HA GLY 150 1HA GLY 150 16.331 18.153 -1.054 277 H THR 151 H THR 151 15.448 16.550 1.917 278 HA THR 151 HA THR 151 14.621 14.081 0.502 279 HB THR 151 HB THR 151 16.833 13.657 2.403 280 HG1 THR 151 1HG THR 151 17.775 15.407 1.561 281 1HG2 THR 151 1HG2 THR 151 15.802 12.624 -0.173 282 2HG2 THR 151 2HG2 THR 151 16.474 11.750 1.204 283 3HG2 THR 151 3HG2 THR 151 17.550 12.525 0.040 284 H PHE 152 H PHE 152 14.663 12.271 2.476 285 HA PHE 152 HA PHE 152 12.921 13.480 4.571 286 1HB PHE 152 2HB PHE 152 13.448 10.579 3.858 287 2HB PHE 152 1HB PHE 152 12.097 11.212 4.800 288 HD1 PHE 152 1HD PHE 152 13.587 10.976 1.427 289 HD2 PHE 152 2HD PHE 152 10.224 12.323 3.738 290 HE1 PHE 152 1HE PHE 152 12.294 11.328 -0.659 291 HE2 PHE 152 2HE PHE 152 8.932 12.673 1.651 292 HZ PHE 152 HZ PHE 152 9.965 12.176 -0.546 293 H ARG 153 H ARG 153 13.605 13.565 6.690 294 HA ARG 153 HA ARG 153 16.270 12.364 7.325 295 1HB ARG 153 2HB ARG 153 14.647 14.710 8.228 296 2HB ARG 153 1HB ARG 153 15.778 13.997 9.379 297 1HG ARG 153 2HG ARG 153 17.577 14.192 7.640 298 2HG ARG 153 1HG ARG 153 16.433 15.061 6.617 299 1HD ARG 153 2HD ARG 153 17.017 16.969 7.689 300 2HD ARG 153 1HD ARG 153 16.323 16.294 9.178 301 HE ARG 153 HE ARG 153 18.511 15.506 9.807 302 1HH1 ARG 153 1HH2 ARG 153 18.776 15.640 6.507 303 2HH1 ARG 153 2HH2 ARG 153 20.318 16.428 6.465 304 1HH2 ARG 153 1HH1 ARG 153 20.352 17.127 9.861 305 2HH2 ARG 153 2HH1 ARG 153 21.211 17.266 8.362 306 H CYS 154 H CYS 154 16.462 10.860 8.972 307 HA CYS 154 HA CYS 154 14.417 9.153 9.776 308 1HB CYS 154 2HB CYS 154 16.940 9.019 10.085 309 2HB CYS 154 1HB CYS 154 16.742 10.070 11.486 310 H THR 155 H THR 155 13.584 8.991 12.177 311 HA THR 155 HA THR 155 12.664 11.722 13.013 312 HB THR 155 HB THR 155 11.013 9.590 14.002 313 HG1 THR 155 1HG THR 155 11.747 8.321 12.341 314 1HG2 THR 155 1HG2 THR 155 9.575 10.818 12.039 315 2HG2 THR 155 2HG2 THR 155 10.824 12.026 12.342 316 3HG2 THR 155 3HG2 THR 155 9.789 11.478 13.660 317 H PHE 156 H PHE 156 14.270 8.809 14.060 318 HA PHE 156 HA PHE 156 14.139 9.785 16.878 319 1HB PHE 156 2HB PHE 156 15.148 7.188 16.902 320 2HB PHE 156 1HB PHE 156 13.506 7.665 17.299 321 HD1 PHE 156 1HD PHE 156 15.678 6.785 14.378 322 HD2 PHE 156 2HD PHE 156 11.711 6.871 16.019 323 HE1 PHE 156 1HE PHE 156 14.835 5.547 12.408 324 HE2 PHE 156 2HE PHE 156 10.867 5.627 14.048 325 HZ PHE 156 HZ PHE 156 12.429 4.963 12.240 326 H CYS 157 H CYS 157 16.303 8.605 14.341 327 HA CYS 157 HA CYS 157 18.589 9.588 16.001 328 1HB CYS 157 2HB CYS 157 19.680 7.660 15.485 329 2HB CYS 157 1HB CYS 157 18.081 7.061 15.073 330 H HIS 158 H HIS 158 16.714 10.864 13.952 331 HA HIS 158 HA HIS 158 16.831 12.217 11.991 332 1HB HIS 158 2HB HIS 158 18.886 12.996 14.040 333 2HB HIS 158 1HB HIS 158 18.663 13.975 12.589 334 HD1 HIS 158 1HD HIS 158 16.464 15.297 12.357 335 HD2 HIS 158 2HD HIS 158 16.622 12.969 15.811 336 HE1 HIS 158 1HE HIS 158 14.510 16.018 13.797 337 H THR 159 H THR 159 18.512 9.712 11.573 338 HA THR 159 HA THR 159 20.874 10.760 10.126 339 HB THR 159 HB THR 159 19.678 8.048 10.703 340 HG1 THR 159 1HG THR 159 21.787 9.608 11.591 341 1HG2 THR 159 1HG2 THR 159 21.365 6.979 9.405 342 2HG2 THR 159 2HG2 THR 159 22.229 8.494 9.147 343 3HG2 THR 159 3HG2 THR 159 20.681 8.213 8.352 344 H GLU 160 H GLU 160 20.902 11.054 7.891 345 HA GLU 160 HA GLU 160 18.593 11.392 6.345 346 1HB GLU 160 2HB GLU 160 21.164 11.869 5.974 347 2HB GLU 160 1HB GLU 160 21.128 10.319 5.133 348 1HG GLU 160 2HG GLU 160 20.385 11.436 3.322 349 2HG GLU 160 1HG GLU 160 18.868 11.669 4.190 350 H VAL 161 H VAL 161 17.132 9.966 5.470 351 HA VAL 161 HA VAL 161 17.661 7.059 5.687 352 HB VAL 161 HB VAL 161 15.225 6.984 5.043 353 1HG1 VAL 161 1HG1 VAL 161 15.119 8.951 7.187 354 2HG1 VAL 161 2HG1 VAL 161 16.423 7.791 7.433 355 3HG1 VAL 161 3HG1 VAL 161 14.764 7.224 7.237 356 1HG2 VAL 161 1HG2 VAL 161 15.823 9.629 4.178 357 2HG2 VAL 161 2HG2 VAL 161 14.664 9.764 5.501 358 3HG2 VAL 161 3HG2 VAL 161 14.277 8.787 4.085 359 H GLU 162 H GLU 162 16.711 5.765 3.710 360 HA GLU 162 HA GLU 162 17.318 7.095 1.114 361 1HB GLU 162 2HB GLU 162 18.798 4.898 2.499 362 2HB GLU 162 1HB GLU 162 18.628 4.783 0.746 363 1HG GLU 162 2HG GLU 162 19.426 7.251 0.716 364 2HG GLU 162 1HG GLU 162 19.974 6.941 2.364 365 H GLU 163 H GLU 163 16.065 6.256 -0.565 366 HA GLU 163 HA GLU 163 13.667 4.888 -0.102 367 1HB GLU 163 2HB GLU 163 15.506 5.123 -2.493 368 2HB GLU 163 1HB GLU 163 13.919 4.360 -2.610 369 1HG GLU 163 2HG GLU 163 13.410 6.721 -1.227 370 2HG GLU 163 1HG GLU 163 14.599 7.195 -2.441 371 H ASP 164 H ASP 164 13.195 2.767 0.351 372 HA ASP 164 HA ASP 164 15.398 0.784 0.366 373 1HB ASP 164 2HB ASP 164 13.933 1.081 2.320 374 2HB ASP 164 1HB ASP 164 12.518 0.729 1.326 375 H GLU 165 H GLU 165 15.685 -0.412 -1.476 376 HA GLU 165 HA GLU 165 13.476 -0.752 -3.407 377 1HB GLU 165 2HB GLU 165 16.361 -1.706 -3.360 378 2HB GLU 165 1HB GLU 165 15.288 -1.762 -4.760 379 1HG GLU 165 2HG GLU 165 15.701 0.396 -5.249 380 2HG GLU 165 1HG GLU 165 15.320 0.897 -3.601 381 H SER 166 H SER 166 14.212 -2.257 -0.589 382 HA SER 166 HA SER 166 13.729 -5.030 -1.583 383 1HB SER 166 2HB SER 166 14.992 -3.714 0.761 384 2HB SER 166 1HB SER 166 14.158 -5.230 1.092 385 HG SER 166 HG SER 166 15.584 -6.280 -0.090 386 H ALA 167 H ALA 167 11.751 -2.610 -1.072 387 HA ALA 167 HA ALA 167 9.994 -3.562 1.047 388 1HB ALA 167 1HB ALA 167 10.044 -1.452 -1.072 389 2HB ALA 167 2HB ALA 167 9.801 -1.285 0.668 390 3HB ALA 167 3HB ALA 167 8.483 -1.854 -0.357 391 H MET 168 H MET 168 10.138 -5.857 -0.137 392 HA MET 168 HA MET 168 7.535 -6.316 -1.350 393 1HB MET 168 2HB MET 168 9.989 -5.963 -2.969 394 2HB MET 168 1HB MET 168 8.985 -7.345 -3.406 395 1HG MET 168 2HG MET 168 7.199 -5.205 -2.968 396 2HG MET 168 1HG MET 168 8.525 -4.541 -3.921 397 1HE MET 168 1HE MET 168 5.259 -5.150 -4.853 398 2HE MET 168 2HE MET 168 5.480 -6.403 -3.636 399 3HE MET 168 3HE MET 168 5.046 -6.853 -5.283 400 HA PRO 169 HA PRO 169 9.811 -10.486 -1.043 401 1HB PRO 169 2HB PRO 169 12.521 -10.486 -0.669 402 2HB PRO 169 1HB PRO 169 11.772 -10.435 -2.277 403 1HG PRO 169 2HG PRO 169 12.948 -8.226 -0.667 404 2HG PRO 169 1HG PRO 169 13.026 -8.516 -2.412 405 1HD PRO 169 2HD PRO 169 11.348 -6.697 -1.256 406 2HD PRO 169 1HD PRO 169 11.011 -7.511 -2.800 407 H LYS 170 H LYS 170 11.324 -7.932 0.916 408 HA LYS 170 HA LYS 170 11.581 -9.641 3.287 409 1HB LYS 170 2HB LYS 170 12.556 -7.160 2.277 410 2HB LYS 170 1HB LYS 170 11.763 -6.823 3.816 411 1HG LYS 170 2HG LYS 170 13.419 -9.251 3.855 412 2HG LYS 170 1HG LYS 170 14.336 -7.776 3.549 413 1HD LYS 170 2HD LYS 170 14.001 -6.990 5.651 414 2HD LYS 170 1HD LYS 170 12.315 -7.508 5.672 415 1HE LYS 170 2HE LYS 170 14.493 -9.583 5.812 416 2HE LYS 170 1HE LYS 170 14.014 -8.704 7.278 417 1HZ LYS 170 1HZ LYS 170 11.883 -9.676 5.532 418 2HZ LYS 170 2HZ LYS 170 11.919 -9.543 7.226 419 3HZ LYS 170 3HZ LYS 170 12.706 -10.837 6.455 420 H LYS 171 H LYS 171 9.465 -6.962 2.237 421 HA LYS 171 HA LYS 171 7.947 -6.616 4.593 422 1HB LYS 171 2HB LYS 171 7.436 -6.354 1.635 423 2HB LYS 171 1HB LYS 171 6.147 -6.010 2.789 424 1HG LYS 171 2HG LYS 171 8.827 -4.787 3.288 425 2HG LYS 171 1HG LYS 171 7.836 -4.104 1.999 426 1HD LYS 171 2HD LYS 171 6.668 -2.980 3.558 427 2HD LYS 171 1HD LYS 171 6.093 -4.525 4.183 428 1HE LYS 171 2HE LYS 171 7.934 -4.676 5.738 429 2HE LYS 171 1HE LYS 171 8.739 -3.277 4.999 430 1HZ LYS 171 1HZ LYS 171 7.307 -2.843 7.049 431 2HZ LYS 171 2HZ LYS 171 5.973 -3.103 6.029 432 3HZ LYS 171 3HZ LYS 171 7.063 -1.840 5.704 433 H ASP 172 H ASP 172 6.603 -8.015 5.659 434 HA ASP 172 HA ASP 172 5.516 -10.364 4.140 435 1HB ASP 172 2HB ASP 172 6.072 -10.053 7.108 436 2HB ASP 172 1HB ASP 172 5.667 -11.548 6.263 437 H ALA 173 H ALA 173 4.142 -7.852 4.125 438 HA ALA 173 HA ALA 173 2.122 -7.726 6.203 439 1HB ALA 173 1HB ALA 173 2.101 -5.696 5.201 440 2HB ALA 173 2HB ALA 173 1.206 -6.439 3.876 441 3HB ALA 173 3HB ALA 173 2.964 -6.325 3.797 442 H ARG 174 H ARG 174 -0.300 -7.595 5.072 443 HA ARG 174 HA ARG 174 -0.961 -9.580 3.106 444 1HB ARG 174 2HB ARG 174 -1.822 -11.300 4.736 445 2HB ARG 174 1HB ARG 174 -0.068 -11.116 4.768 446 1HG ARG 174 2HG ARG 174 -0.082 -10.015 6.818 447 2HG ARG 174 1HG ARG 174 -1.736 -9.441 6.612 448 1HD ARG 174 2HD ARG 174 -2.484 -11.211 7.806 449 2HD ARG 174 1HD ARG 174 -1.786 -12.309 6.599 450 HE ARG 174 HE ARG 174 0.113 -11.126 8.530 451 1HH1 ARG 174 1HH1 ARG 174 0.520 -13.648 6.868 452 2HH1 ARG 174 2HH1 ARG 174 0.350 -14.877 8.076 453 1HH2 ARG 174 1HH2 ARG 174 -1.132 -12.766 10.394 454 2HH2 ARG 174 2HH2 ARG 174 -0.585 -14.377 10.074 Start of MODEL 7 1 1H ARG 113 1HT ARG 113 19.096 -9.839 -11.940 2 2H ARG 113 2HT ARG 113 20.482 -8.978 -12.416 3 3H ARG 113 3HT ARG 113 20.634 -10.526 -11.734 4 HA ARG 113 HA ARG 113 20.885 -10.385 -14.243 5 1HB ARG 113 2HB ARG 113 19.165 -12.147 -12.545 6 2HB ARG 113 1HB ARG 113 19.168 -12.435 -14.285 7 1HG ARG 113 2HG ARG 113 21.869 -12.032 -13.531 8 2HG ARG 113 1HG ARG 113 21.176 -13.143 -12.349 9 1HD ARG 113 2HD ARG 113 21.010 -14.825 -13.875 10 2HD ARG 113 1HD ARG 113 20.384 -13.735 -15.127 11 HE ARG 113 HE ARG 113 23.220 -14.340 -14.640 12 1HH1 ARG 113 1HH2 ARG 113 21.417 -13.767 -17.192 13 2HH1 ARG 113 2HH2 ARG 113 22.251 -12.376 -17.801 14 1HH2 ARG 113 1HH1 ARG 113 24.076 -11.870 -14.896 15 2HH2 ARG 113 2HH1 ARG 113 23.756 -11.303 -16.501 16 H ILE 114 H ILE 114 19.836 -8.296 -14.940 17 HA ILE 114 HA ILE 114 18.150 -7.116 -16.107 18 HB ILE 114 HB ILE 114 17.569 -10.030 -16.705 19 1HG1 ILE 114 2HG1 ILE 114 18.623 -8.178 -18.758 20 2HG1 ILE 114 1HG1 ILE 114 19.712 -8.480 -17.402 21 1HG2 ILE 114 1HG2 ILE 114 16.314 -7.499 -17.746 22 2HG2 ILE 114 2HG2 ILE 114 15.531 -9.006 -17.271 23 3HG2 ILE 114 3HG2 ILE 114 16.438 -8.921 -18.782 24 1HD1 ILE 114 1HD1 ILE 114 18.429 -10.931 -18.324 25 2HD1 ILE 114 2HD1 ILE 114 20.144 -10.581 -18.105 26 3HD1 ILE 114 3HD1 ILE 114 19.340 -10.144 -19.613 27 H GLU 115 H GLU 115 17.266 -6.530 -13.884 28 HA GLU 115 HA GLU 115 14.670 -7.917 -13.310 29 1HB GLU 115 2HB GLU 115 16.671 -7.724 -11.643 30 2HB GLU 115 1HB GLU 115 16.156 -6.045 -11.469 31 1HG GLU 115 2HG GLU 115 13.763 -7.337 -11.244 32 2HG GLU 115 1HG GLU 115 14.851 -8.524 -10.522 33 H THR 116 H THR 116 13.034 -6.759 -14.289 34 HA THR 116 HA THR 116 13.144 -3.765 -14.094 35 HB THR 116 HB THR 116 13.356 -4.530 -16.379 36 HG1 THR 116 1HG THR 116 11.839 -3.255 -17.080 37 1HG2 THR 116 1HG2 THR 116 11.015 -5.909 -16.981 38 2HG2 THR 116 2HG2 THR 116 11.515 -6.585 -15.430 39 3HG2 THR 116 3HG2 THR 116 12.621 -6.619 -16.804 40 H ASP 117 H ASP 117 10.306 -3.891 -15.219 41 HA ASP 117 HA ASP 117 8.108 -3.889 -14.343 42 1HB ASP 117 2HB ASP 117 9.404 -6.327 -13.714 43 2HB ASP 117 1HB ASP 117 8.541 -5.841 -12.254 44 H GLU 118 H GLU 118 7.775 -1.982 -13.218 45 HA GLU 118 HA GLU 118 7.863 -0.413 -11.439 46 1HB GLU 118 2HB GLU 118 7.737 -3.020 -9.889 47 2HB GLU 118 1HB GLU 118 7.134 -1.450 -9.359 48 1HG GLU 118 2HG GLU 118 6.073 -2.251 -11.970 49 2HG GLU 118 1HG GLU 118 5.642 -3.375 -10.680 50 H ARG 119 H ARG 119 10.097 0.260 -11.760 51 HA ARG 119 HA ARG 119 12.279 -1.172 -10.432 52 1HB ARG 119 2HB ARG 119 12.052 1.550 -11.757 53 2HB ARG 119 1HB ARG 119 13.569 0.778 -11.292 54 1HG ARG 119 2HG ARG 119 13.522 -0.656 -13.051 55 2HG ARG 119 1HG ARG 119 11.786 -0.928 -12.899 56 1HD ARG 119 2HD ARG 119 11.427 0.470 -14.641 57 2HD ARG 119 1HD ARG 119 12.196 1.788 -13.735 58 HE ARG 119 HE ARG 119 14.378 1.020 -14.632 59 1HH1 ARG 119 1HH1 ARG 119 12.305 1.548 -16.915 60 2HH1 ARG 119 2HH1 ARG 119 12.701 0.240 -17.979 61 1HH2 ARG 119 1HH2 ARG 119 14.560 -1.475 -15.606 62 2HH2 ARG 119 2HH2 ARG 119 13.979 -1.472 -17.237 63 H ASP 120 H ASP 120 11.603 2.299 -10.114 64 HA ASP 120 HA ASP 120 12.291 2.156 -7.240 65 1HB ASP 120 2HB ASP 120 12.469 4.552 -7.461 66 2HB ASP 120 1HB ASP 120 13.164 3.851 -8.922 67 H SER 121 H SER 121 9.725 0.985 -8.134 68 HA SER 121 HA SER 121 7.475 0.967 -7.413 69 1HB SER 121 2HB SER 121 9.080 1.707 -5.336 70 2HB SER 121 1HB SER 121 8.010 3.103 -5.426 71 HG SER 121 HG SER 121 7.278 0.368 -5.189 72 H THR 122 H THR 122 5.510 2.299 -7.499 73 HA THR 122 HA THR 122 5.934 5.028 -8.667 74 HB THR 122 HB THR 122 4.192 4.449 -10.314 75 HG1 THR 122 1HG THR 122 2.913 2.920 -9.680 76 1HG2 THR 122 1HG2 THR 122 6.583 2.645 -10.028 77 2HG2 THR 122 2HG2 THR 122 6.327 3.971 -11.161 78 3HG2 THR 122 3HG2 THR 122 5.471 2.446 -11.383 79 H ASN 123 H ASN 123 3.814 2.804 -6.900 80 HA ASN 123 HA ASN 123 2.256 5.184 -5.938 81 1HB ASN 123 2HB ASN 123 0.295 3.752 -5.973 82 2HB ASN 123 1HB ASN 123 1.090 3.627 -7.543 83 1HD2 ASN 123 1HD2 ASN 123 -0.565 1.637 -5.758 84 2HD2 ASN 123 2HD2 ASN 123 0.379 0.227 -5.793 85 H ARG 124 H ARG 124 4.637 3.438 -4.879 86 HA ARG 124 HA ARG 124 3.522 3.175 -2.126 87 1HB ARG 124 2HB ARG 124 4.435 1.061 -3.966 88 2HB ARG 124 1HB ARG 124 5.168 0.977 -2.364 89 1HG ARG 124 2HG ARG 124 2.555 1.495 -1.730 90 2HG ARG 124 1HG ARG 124 2.371 0.504 -3.177 91 1HD ARG 124 2HD ARG 124 4.018 -1.139 -2.104 92 2HD ARG 124 1HD ARG 124 3.790 -0.222 -0.601 93 HE ARG 124 HE ARG 124 1.674 -1.243 -0.430 94 1HH1 ARG 124 1HH1 ARG 124 2.417 -3.311 -2.480 95 2HH1 ARG 124 2HH1 ARG 124 1.154 -3.125 -3.651 96 1HH2 ARG 124 1HH2 ARG 124 0.155 -0.021 -2.471 97 2HH2 ARG 124 2HH2 ARG 124 -0.128 -1.264 -3.644 98 H ALA 125 H ALA 125 4.857 4.455 -0.907 99 HA ALA 125 HA ALA 125 7.718 4.733 -1.718 100 1HB ALA 125 1HB ALA 125 7.605 6.836 -0.623 101 2HB ALA 125 2HB ALA 125 6.197 6.357 0.326 102 3HB ALA 125 3HB ALA 125 6.032 6.670 -1.402 103 H SER 126 H SER 126 9.360 4.130 -0.305 104 HA SER 126 HA SER 126 8.711 3.385 2.491 105 1HB SER 126 2HB SER 126 8.211 1.337 1.395 106 2HB SER 126 1HB SER 126 9.565 1.512 0.281 107 HG SER 126 HG SER 126 10.026 0.025 1.952 108 H PHE 127 H PHE 127 10.259 4.800 3.331 109 HA PHE 127 HA PHE 127 12.987 4.828 2.157 110 1HB PHE 127 2HB PHE 127 11.647 6.422 4.364 111 2HB PHE 127 1HB PHE 127 13.240 6.763 3.688 112 HD1 PHE 127 1HD PHE 127 9.624 6.935 3.141 113 HD2 PHE 127 2HD PHE 127 13.482 7.546 1.356 114 HE1 PHE 127 1HE PHE 127 8.573 8.248 1.319 115 HE2 PHE 127 2HE PHE 127 12.432 8.858 -0.466 116 HZ PHE 127 HZ PHE 127 9.977 9.210 -0.485 117 H LYS 128 H LYS 128 14.840 4.297 3.426 118 HA LYS 128 HA LYS 128 14.303 2.925 6.019 119 1HB LYS 128 2HB LYS 128 14.566 1.208 4.370 120 2HB LYS 128 1HB LYS 128 15.931 2.042 3.629 121 1HG LYS 128 2HG LYS 128 17.279 0.793 4.937 122 2HG LYS 128 1HG LYS 128 16.676 1.719 6.311 123 1HD LYS 128 2HD LYS 128 15.762 -0.170 7.116 124 2HD LYS 128 1HD LYS 128 14.675 -0.183 5.726 125 1HE LYS 128 2HE LYS 128 16.359 -1.439 4.417 126 2HE LYS 128 1HE LYS 128 17.441 -1.442 5.824 127 1HZ LYS 128 1HZ LYS 128 14.651 -2.454 5.885 128 2HZ LYS 128 2HZ LYS 128 15.822 -2.597 7.107 129 3HZ LYS 128 3HZ LYS 128 16.001 -3.453 5.651 130 H CYS 129 H CYS 129 15.807 3.407 7.620 131 HA CYS 129 HA CYS 129 17.765 5.528 7.014 132 1HB CYS 129 2HB CYS 129 16.177 5.631 8.921 133 2HB CYS 129 1HB CYS 129 16.911 4.176 9.589 134 HA PRO 130 HA PRO 130 21.006 2.496 6.876 135 1HB PRO 130 2HB PRO 130 23.077 4.252 6.590 136 2HB PRO 130 1HB PRO 130 21.972 3.840 5.265 137 1HG PRO 130 2HG PRO 130 22.072 6.269 6.956 138 2HG PRO 130 1HG PRO 130 21.603 6.088 5.260 139 1HD PRO 130 2HD PRO 130 19.849 6.367 7.389 140 2HD PRO 130 1HD PRO 130 19.429 5.724 5.787 141 H VAL 131 H VAL 131 20.805 5.108 9.206 142 HA VAL 131 HA VAL 131 23.087 4.150 10.782 143 HB VAL 131 HB VAL 131 21.024 6.330 10.995 144 1HG1 VAL 131 1HG1 VAL 131 22.482 7.012 13.051 145 2HG1 VAL 131 2HG1 VAL 131 22.905 5.300 13.110 146 3HG1 VAL 131 3HG1 VAL 131 21.221 5.800 13.276 147 1HG2 VAL 131 1HG2 VAL 131 24.052 6.436 11.014 148 2HG2 VAL 131 2HG2 VAL 131 22.932 7.764 10.711 149 3HG2 VAL 131 3HG2 VAL 131 23.106 6.471 9.527 150 H CYS 132 H CYS 132 19.751 4.793 11.904 151 HA CYS 132 HA CYS 132 20.045 2.594 13.841 152 1HB CYS 132 2HB CYS 132 18.083 3.522 14.833 153 2HB CYS 132 1HB CYS 132 19.022 4.897 14.257 154 H SER 133 H SER 133 19.596 2.345 10.744 155 HA SER 133 HA SER 133 18.462 0.887 9.283 156 1HB SER 133 2HB SER 133 18.010 -1.347 10.572 157 2HB SER 133 1HB SER 133 19.665 -0.775 10.394 158 HG SER 133 HG SER 133 18.807 -1.421 12.584 159 H SER 134 H SER 134 16.684 2.802 10.807 160 HA SER 134 HA SER 134 14.239 1.284 11.366 161 1HB SER 134 2HB SER 134 15.055 4.182 11.199 162 2HB SER 134 1HB SER 134 13.368 3.729 11.428 163 HG SER 134 HG SER 134 14.473 2.292 13.158 164 H THR 135 H THR 135 12.278 2.828 10.089 165 HA THR 135 HA THR 135 12.908 3.034 7.227 166 HB THR 135 HB THR 135 10.839 1.002 8.023 167 HG1 THR 135 1HG THR 135 13.620 0.566 7.682 168 1HG2 THR 135 1HG2 THR 135 12.551 1.582 5.606 169 2HG2 THR 135 2HG2 THR 135 10.791 1.552 5.716 170 3HG2 THR 135 3HG2 THR 135 11.706 0.046 5.799 171 H PHE 136 H PHE 136 10.967 3.716 5.970 172 HA PHE 136 HA PHE 136 8.638 4.660 7.538 173 1HB PHE 136 2HB PHE 136 10.360 6.556 5.921 174 2HB PHE 136 1HB PHE 136 9.032 6.977 6.997 175 HD1 PHE 136 1HD PHE 136 9.262 6.568 9.475 176 HD2 PHE 136 2HD PHE 136 12.568 6.214 6.756 177 HE1 PHE 136 1HE PHE 136 10.843 6.716 11.379 178 HE2 PHE 136 2HE PHE 136 14.149 6.360 8.660 179 HZ PHE 136 HZ PHE 136 13.287 6.611 10.971 180 H THR 137 H THR 137 6.973 5.589 6.031 181 HA THR 137 HA THR 137 7.225 4.449 3.264 182 HB THR 137 HB THR 137 4.547 4.563 3.776 183 HG1 THR 137 1HG THR 137 5.588 3.667 6.212 184 1HG2 THR 137 1HG2 THR 137 5.189 2.491 3.061 185 2HG2 THR 137 2HG2 THR 137 5.106 2.111 4.781 186 3HG2 THR 137 3HG2 THR 137 6.658 2.497 4.037 187 H ASP 138 H ASP 138 4.900 5.610 2.221 188 HA ASP 138 HA ASP 138 5.781 8.260 1.558 189 1HB ASP 138 2HB ASP 138 3.397 8.351 0.598 190 2HB ASP 138 1HB ASP 138 4.431 7.047 0.019 191 H LEU 139 H LEU 139 3.032 7.167 3.601 192 HA LEU 139 HA LEU 139 2.110 9.699 4.427 193 1HB LEU 139 2HB LEU 139 1.024 8.476 6.156 194 2HB LEU 139 1HB LEU 139 1.231 7.304 4.856 195 HG LEU 139 HG LEU 139 3.578 6.971 6.180 196 1HD1 LEU 139 1HD1 LEU 139 2.694 6.803 8.650 197 2HD1 LEU 139 2HD1 LEU 139 1.539 8.025 8.119 198 3HD1 LEU 139 3HD1 LEU 139 3.269 8.353 8.038 199 1HD2 LEU 139 1HD2 LEU 139 2.670 4.909 6.122 200 2HD2 LEU 139 2HD2 LEU 139 1.062 5.600 5.902 201 3HD2 LEU 139 3HD2 LEU 139 1.691 5.330 7.529 202 H GLU 140 H GLU 140 4.967 7.908 5.385 203 HA GLU 140 HA GLU 140 5.573 9.710 7.649 204 1HB GLU 140 2HB GLU 140 7.226 7.539 6.312 205 2HB GLU 140 1HB GLU 140 7.466 8.202 7.930 206 1HG GLU 140 2HG GLU 140 4.892 7.429 8.156 207 2HG GLU 140 1HG GLU 140 5.441 6.250 6.964 208 H ALA 141 H ALA 141 6.318 9.307 4.266 209 HA ALA 141 HA ALA 141 8.756 10.791 4.096 210 1HB ALA 141 1HB ALA 141 7.414 9.289 2.415 211 2HB ALA 141 2HB ALA 141 8.335 10.652 1.780 212 3HB ALA 141 3HB ALA 141 6.591 10.792 1.998 213 H ASN 142 H ASN 142 5.345 11.781 4.078 214 HA ASN 142 HA ASN 142 5.749 14.528 3.357 215 1HB ASN 142 2HB ASN 142 3.664 12.739 4.339 216 2HB ASN 142 1HB ASN 142 3.508 14.358 5.023 217 1HD2 ASN 142 1HD2 ASN 142 2.620 12.517 2.360 218 2HD2 ASN 142 2HD2 ASN 142 2.353 13.771 1.247 219 H GLN 143 H GLN 143 5.804 12.835 6.484 220 HA GLN 143 HA GLN 143 6.276 15.402 7.908 221 1HB GLN 143 2HB GLN 143 5.845 14.073 9.880 222 2HB GLN 143 1HB GLN 143 4.655 13.606 8.666 223 1HG GLN 143 2HG GLN 143 5.824 11.595 8.143 224 2HG GLN 143 1HG GLN 143 7.267 12.124 9.009 225 1HE2 GLN 143 1HE2 GLN 143 4.577 10.140 9.322 226 2HE2 GLN 143 2HE2 GLN 143 4.502 10.060 11.015 227 H LEU 144 H LEU 144 8.033 12.734 6.601 228 HA LEU 144 HA LEU 144 10.373 13.170 8.385 229 1HB LEU 144 2HB LEU 144 9.661 11.208 6.188 230 2HB LEU 144 1HB LEU 144 11.225 11.207 7.002 231 HG LEU 144 HG LEU 144 8.542 10.914 8.385 232 1HD1 LEU 144 1HD1 LEU 144 10.718 8.889 7.780 233 2HD1 LEU 144 2HD1 LEU 144 9.114 8.931 7.051 234 3HD1 LEU 144 3HD1 LEU 144 9.292 8.580 8.770 235 1HD2 LEU 144 1HD2 LEU 144 9.793 11.652 10.140 236 2HD2 LEU 144 2HD2 LEU 144 11.314 11.366 9.295 237 3HD2 LEU 144 3HD2 LEU 144 10.491 10.033 10.103 238 H PHE 145 H PHE 145 9.161 14.556 5.598 239 HA PHE 145 HA PHE 145 11.637 14.749 4.048 240 1HB PHE 145 2HB PHE 145 9.265 14.760 3.173 241 2HB PHE 145 1HB PHE 145 9.076 16.365 3.879 242 HD1 PHE 145 1HD PHE 145 9.177 18.024 2.249 243 HD2 PHE 145 2HD PHE 145 11.832 14.658 1.983 244 HE1 PHE 145 1HE PHE 145 10.247 19.026 0.249 245 HE2 PHE 145 2HE PHE 145 12.904 15.661 -0.016 246 HZ PHE 145 HZ PHE 145 12.110 17.845 -0.884 247 H ASP 146 H ASP 146 12.887 16.675 3.780 248 HA ASP 146 HA ASP 146 12.348 18.969 5.590 249 1HB ASP 146 2HB ASP 146 14.227 16.827 6.061 250 2HB ASP 146 1HB ASP 146 15.104 18.343 5.844 251 HA PRO 147 HA PRO 147 13.867 20.876 1.877 252 1HB PRO 147 2HB PRO 147 13.810 23.456 2.784 253 2HB PRO 147 1HB PRO 147 12.349 22.568 2.307 254 1HG PRO 147 2HG PRO 147 13.421 23.128 5.022 255 2HG PRO 147 1HG PRO 147 11.744 23.082 4.457 256 1HD PRO 147 2HD PRO 147 12.944 21.058 5.859 257 2HD PRO 147 1HD PRO 147 11.573 20.826 4.753 258 H MET 148 H MET 148 15.247 21.546 5.073 259 HA MET 148 HA MET 148 17.586 22.951 4.348 260 1HB MET 148 2HB MET 148 18.461 21.847 6.475 261 2HB MET 148 1HB MET 148 16.913 22.676 6.638 262 1HG MET 148 2HG MET 148 15.695 20.655 6.652 263 2HG MET 148 1HG MET 148 17.035 19.740 5.961 264 1HE MET 148 1HE MET 148 15.590 21.170 9.558 265 2HE MET 148 2HE MET 148 16.388 22.316 8.483 266 3HE MET 148 3HE MET 148 17.176 21.830 9.983 267 H THR 149 H THR 149 16.764 19.602 3.809 268 HA THR 149 HA THR 149 19.579 19.098 2.887 269 HB THR 149 HB THR 149 19.112 17.748 4.803 270 HG1 THR 149 1HG THR 149 19.770 16.058 3.780 271 1HG2 THR 149 1HG2 THR 149 16.898 16.206 4.365 272 2HG2 THR 149 2HG2 THR 149 16.401 17.735 3.640 273 3HG2 THR 149 3HG2 THR 149 16.903 17.682 5.330 274 H GLY 150 H GLY 150 16.164 18.939 2.131 275 1HA GLY 150 2HA GLY 150 15.223 18.824 -0.052 276 2HA GLY 150 1HA GLY 150 16.819 18.426 -0.691 277 H THR 151 H THR 151 15.858 16.615 2.057 278 HA THR 151 HA THR 151 14.753 14.397 0.405 279 HB THR 151 HB THR 151 16.609 13.134 2.023 280 HG1 THR 151 1HG THR 151 17.914 15.365 0.901 281 1HG2 THR 151 1HG2 THR 151 16.021 13.085 -0.558 282 2HG2 THR 151 2HG2 THR 151 17.578 12.491 0.019 283 3HG2 THR 151 3HG2 THR 151 17.454 14.105 -0.679 284 H PHE 152 H PHE 152 14.933 12.443 2.459 285 HA PHE 152 HA PHE 152 13.056 13.610 4.474 286 1HB PHE 152 2HB PHE 152 13.535 10.744 3.593 287 2HB PHE 152 1HB PHE 152 12.226 11.307 4.634 288 HD1 PHE 152 1HD PHE 152 13.562 11.283 1.195 289 HD2 PHE 152 2HD PHE 152 10.345 12.568 3.736 290 HE1 PHE 152 1HE PHE 152 12.193 11.813 -0.805 291 HE2 PHE 152 2HE PHE 152 8.977 13.097 1.737 292 HZ PHE 152 HZ PHE 152 9.901 12.720 -0.534 293 H ARG 153 H ARG 153 13.699 13.631 6.612 294 HA ARG 153 HA ARG 153 16.311 12.337 7.272 295 1HB ARG 153 2HB ARG 153 14.774 14.747 8.134 296 2HB ARG 153 1HB ARG 153 15.830 13.989 9.326 297 1HG ARG 153 2HG ARG 153 17.675 14.066 7.588 298 2HG ARG 153 1HG ARG 153 16.607 15.070 6.607 299 1HD ARG 153 2HD ARG 153 16.880 16.902 7.958 300 2HD ARG 153 1HD ARG 153 16.926 15.923 9.438 301 HE ARG 153 HE ARG 153 19.243 15.194 8.121 302 1HH1 ARG 153 1HH1 ARG 153 18.550 17.284 10.488 303 2HH1 ARG 153 2HH1 ARG 153 19.721 18.496 10.086 304 1HH2 ARG 153 1HH2 ARG 153 20.444 17.141 6.975 305 2HH2 ARG 153 2HH2 ARG 153 20.792 18.415 8.095 306 H CYS 154 H CYS 154 16.450 10.868 8.955 307 HA CYS 154 HA CYS 154 14.363 9.192 9.729 308 1HB CYS 154 2HB CYS 154 16.894 9.065 10.087 309 2HB CYS 154 1HB CYS 154 16.645 10.081 11.503 310 H THR 155 H THR 155 13.566 9.053 12.168 311 HA THR 155 HA THR 155 12.659 11.793 12.988 312 HB THR 155 HB THR 155 10.967 9.661 13.935 313 HG1 THR 155 1HG THR 155 11.334 8.359 12.302 314 1HG2 THR 155 1HG2 THR 155 10.786 12.099 12.221 315 2HG2 THR 155 2HG2 THR 155 9.894 11.687 13.686 316 3HG2 THR 155 3HG2 THR 155 9.457 10.943 12.148 317 H PHE 156 H PHE 156 14.211 8.847 14.006 318 HA PHE 156 HA PHE 156 14.066 9.770 16.840 319 1HB PHE 156 2HB PHE 156 15.100 7.169 16.775 320 2HB PHE 156 1HB PHE 156 13.477 7.639 17.247 321 HD1 PHE 156 1HD PHE 156 15.541 6.789 14.246 322 HD2 PHE 156 2HD PHE 156 11.623 6.929 15.998 323 HE1 PHE 156 1HE PHE 156 14.618 5.603 12.282 324 HE2 PHE 156 2HE PHE 156 10.699 5.736 14.030 325 HZ PHE 156 HZ PHE 156 12.199 5.070 12.170 326 H CYS 157 H CYS 157 16.251 8.637 14.299 327 HA CYS 157 HA CYS 157 18.527 9.601 15.984 328 1HB CYS 157 2HB CYS 157 19.643 7.697 15.411 329 2HB CYS 157 1HB CYS 157 18.041 7.091 15.022 330 H HIS 158 H HIS 158 16.643 10.884 13.918 331 HA HIS 158 HA HIS 158 16.767 12.308 12.024 332 1HB HIS 158 2HB HIS 158 18.861 12.996 14.057 333 2HB HIS 158 1HB HIS 158 18.670 14.000 12.618 334 HD1 HIS 158 1HD HIS 158 16.510 15.387 12.397 335 HD2 HIS 158 2HD HIS 158 16.600 13.023 15.829 336 HE1 HIS 158 1HE HIS 158 14.563 16.135 13.835 337 H THR 159 H THR 159 18.421 9.769 11.568 338 HA THR 159 HA THR 159 20.754 10.786 10.065 339 HB THR 159 HB THR 159 19.502 8.094 10.614 340 HG1 THR 159 1HG THR 159 21.798 9.507 11.397 341 1HG2 THR 159 1HG2 THR 159 22.048 8.536 9.047 342 2HG2 THR 159 2HG2 THR 159 20.491 8.271 8.264 343 3HG2 THR 159 3HG2 THR 159 21.180 7.022 9.294 344 H GLU 160 H GLU 160 20.799 10.986 7.803 345 HA GLU 160 HA GLU 160 18.450 11.445 6.317 346 1HB GLU 160 2HB GLU 160 20.704 12.158 5.664 347 2HB GLU 160 1HB GLU 160 21.189 10.476 5.436 348 1HG GLU 160 2HG GLU 160 19.715 10.200 3.577 349 2HG GLU 160 1HG GLU 160 18.879 11.713 3.926 350 H VAL 161 H VAL 161 16.982 10.089 5.322 351 HA VAL 161 HA VAL 161 17.489 7.151 5.482 352 HB VAL 161 HB VAL 161 15.021 7.049 5.194 353 1HG1 VAL 161 1HG1 VAL 161 14.449 7.943 7.345 354 2HG1 VAL 161 2HG1 VAL 161 15.750 9.133 7.264 355 3HG1 VAL 161 3HG1 VAL 161 16.130 7.421 7.451 356 1HG2 VAL 161 1HG2 VAL 161 15.474 9.747 4.264 357 2HG2 VAL 161 2HG2 VAL 161 14.309 9.757 5.587 358 3HG2 VAL 161 3HG2 VAL 161 14.008 8.772 4.155 359 H GLU 162 H GLU 162 16.706 5.852 3.582 360 HA GLU 162 HA GLU 162 16.748 7.340 0.992 361 1HB GLU 162 2HB GLU 162 18.657 5.304 2.070 362 2HB GLU 162 1HB GLU 162 18.289 5.252 0.346 363 1HG GLU 162 2HG GLU 162 18.751 7.981 1.220 364 2HG GLU 162 1HG GLU 162 20.130 6.952 1.611 365 H GLU 163 H GLU 163 15.890 5.994 -0.797 366 HA GLU 163 HA GLU 163 13.491 4.646 -0.246 367 1HB GLU 163 2HB GLU 163 15.286 5.141 -2.463 368 2HB GLU 163 1HB GLU 163 14.593 3.525 -2.592 369 1HG GLU 163 2HG GLU 163 12.325 4.510 -2.248 370 2HG GLU 163 1HG GLU 163 13.056 6.116 -2.256 371 H ASP 164 H ASP 164 12.988 2.552 0.355 372 HA ASP 164 HA ASP 164 15.194 0.772 1.164 373 1HB ASP 164 2HB ASP 164 13.303 1.092 2.641 374 2HB ASP 164 1HB ASP 164 12.168 0.685 1.353 375 H GLU 165 H GLU 165 16.095 -0.207 -0.673 376 HA GLU 165 HA GLU 165 14.241 -1.459 -2.650 377 1HB GLU 165 2HB GLU 165 16.269 0.155 -3.111 378 2HB GLU 165 1HB GLU 165 17.236 -1.301 -2.877 379 1HG GLU 165 2HG GLU 165 16.834 -1.679 -5.080 380 2HG GLU 165 1HG GLU 165 15.244 -2.213 -4.535 381 H SER 166 H SER 166 15.799 -2.307 0.157 382 HA SER 166 HA SER 166 16.831 -4.930 -0.678 383 1HB SER 166 2HB SER 166 16.310 -4.270 2.173 384 2HB SER 166 1HB SER 166 17.770 -4.903 1.417 385 HG SER 166 HG SER 166 18.475 -2.936 1.321 386 H ALA 167 H ALA 167 13.768 -3.653 0.052 387 HA ALA 167 HA ALA 167 12.694 -6.148 1.229 388 1HB ALA 167 1HB ALA 167 11.544 -3.440 0.489 389 2HB ALA 167 2HB ALA 167 11.933 -4.026 2.108 390 3HB ALA 167 3HB ALA 167 10.588 -4.733 1.213 391 H MET 168 H MET 168 13.672 -5.609 -1.742 392 HA MET 168 HA MET 168 11.267 -6.879 -3.009 393 1HB MET 168 2HB MET 168 13.196 -4.941 -4.316 394 2HB MET 168 1HB MET 168 11.638 -5.487 -4.938 395 1HG MET 168 2HG MET 168 12.078 -3.797 -2.458 396 2HG MET 168 1HG MET 168 11.411 -3.238 -3.992 397 1HE MET 168 1HE MET 168 9.483 -5.200 -5.088 398 2HE MET 168 2HE MET 168 9.170 -3.489 -4.806 399 3HE MET 168 3HE MET 168 7.984 -4.689 -4.301 400 HA PRO 169 HA PRO 169 15.375 -9.123 -3.707 401 1HB PRO 169 2HB PRO 169 14.921 -11.302 -2.115 402 2HB PRO 169 1HB PRO 169 15.725 -9.830 -1.532 403 1HG PRO 169 2HG PRO 169 12.914 -10.726 -1.157 404 2HG PRO 169 1HG PRO 169 13.995 -9.894 -0.029 405 1HD PRO 169 2HD PRO 169 12.007 -8.646 -1.432 406 2HD PRO 169 1HD PRO 169 13.476 -7.828 -0.854 407 H LYS 170 H LYS 170 15.470 -11.512 -4.551 408 HA LYS 170 HA LYS 170 12.869 -12.154 -5.905 409 1HB LYS 170 2HB LYS 170 14.174 -12.732 -7.832 410 2HB LYS 170 1HB LYS 170 14.833 -11.205 -7.244 411 1HG LYS 170 2HG LYS 170 16.383 -12.844 -5.818 412 2HG LYS 170 1HG LYS 170 16.021 -13.946 -7.147 413 1HD LYS 170 2HD LYS 170 16.621 -11.861 -8.646 414 2HD LYS 170 1HD LYS 170 17.491 -11.332 -7.205 415 1HE LYS 170 2HE LYS 170 17.857 -14.116 -8.339 416 2HE LYS 170 1HE LYS 170 18.846 -12.742 -8.875 417 1HZ LYS 170 1HZ LYS 170 18.439 -13.477 -6.027 418 2HZ LYS 170 2HZ LYS 170 19.510 -12.311 -6.643 419 3HZ LYS 170 3HZ LYS 170 19.786 -13.961 -6.935 420 H LYS 171 H LYS 171 15.531 -13.341 -3.999 421 HA LYS 171 HA LYS 171 15.661 -16.062 -4.418 422 1HB LYS 171 2HB LYS 171 15.985 -14.186 -2.224 423 2HB LYS 171 1HB LYS 171 15.422 -15.749 -1.633 424 1HG LYS 171 2HG LYS 171 17.249 -16.880 -2.821 425 2HG LYS 171 1HG LYS 171 17.804 -15.333 -3.463 426 1HD LYS 171 2HD LYS 171 17.658 -14.821 -0.760 427 2HD LYS 171 1HD LYS 171 18.198 -16.500 -0.793 428 1HE LYS 171 2HE LYS 171 20.207 -15.975 -1.830 429 2HE LYS 171 1HE LYS 171 19.527 -14.558 -2.655 430 1HZ LYS 171 1HZ LYS 171 19.509 -13.325 -0.689 431 2HZ LYS 171 2HZ LYS 171 21.010 -14.120 -0.648 432 3HZ LYS 171 3HZ LYS 171 19.716 -14.692 0.292 433 H ASP 172 H ASP 172 12.952 -14.286 -2.996 434 HA ASP 172 HA ASP 172 11.518 -16.763 -2.280 435 1HB ASP 172 2HB ASP 172 11.483 -14.649 -0.936 436 2HB ASP 172 1HB ASP 172 10.659 -13.851 -2.277 437 H ALA 173 H ALA 173 10.750 -13.943 -4.369 438 HA ALA 173 HA ALA 173 8.587 -15.224 -5.746 439 1HB ALA 173 1HB ALA 173 9.607 -13.293 -7.448 440 2HB ALA 173 2HB ALA 173 10.209 -12.776 -5.873 441 3HB ALA 173 3HB ALA 173 8.477 -12.984 -6.130 442 H ARG 174 H ARG 174 9.120 -14.925 -8.452 443 HA ARG 174 HA ARG 174 10.944 -17.219 -8.943 444 1HB ARG 174 2HB ARG 174 8.501 -16.915 -9.757 445 2HB ARG 174 1HB ARG 174 9.178 -15.780 -10.926 446 1HG ARG 174 2HG ARG 174 9.794 -17.499 -12.236 447 2HG ARG 174 1HG ARG 174 10.810 -18.123 -10.936 448 1HD ARG 174 2HD ARG 174 8.783 -19.242 -9.958 449 2HD ARG 174 1HD ARG 174 7.869 -18.734 -11.391 450 HE ARG 174 HE ARG 174 9.928 -20.814 -11.331 451 1HH1 ARG 174 1HH2 ARG 174 7.321 -19.824 -13.035 452 2HH1 ARG 174 2HH2 ARG 174 8.010 -19.995 -14.613 453 1HH2 ARG 174 1HH1 ARG 174 11.242 -20.447 -13.439 454 2HH2 ARG 174 2HH1 ARG 174 10.233 -20.349 -14.843 Start of MODEL 8 1 1H ARG 113 1HT ARG 113 12.798 24.529 -11.350 2 2H ARG 113 2HT ARG 113 13.694 23.685 -10.180 3 3H ARG 113 3HT ARG 113 12.124 24.228 -9.823 4 HA ARG 113 HA ARG 113 12.341 21.772 -10.348 5 1HB ARG 113 2HB ARG 113 10.234 22.982 -10.279 6 2HB ARG 113 1HB ARG 113 10.540 23.684 -11.869 7 1HG ARG 113 2HG ARG 113 10.091 21.706 -12.985 8 2HG ARG 113 1HG ARG 113 10.556 20.703 -11.610 9 1HD ARG 113 2HD ARG 113 8.449 21.886 -10.477 10 2HD ARG 113 1HD ARG 113 7.940 22.044 -12.170 11 HE ARG 113 HE ARG 113 8.433 19.482 -10.751 12 1HH1 ARG 113 1HH1 ARG 113 5.891 20.250 -12.238 13 2HH1 ARG 113 2HH1 ARG 113 6.053 19.318 -13.688 14 1HH2 ARG 113 1HH2 ARG 113 9.431 18.692 -13.222 15 2HH2 ARG 113 2HH2 ARG 113 8.057 18.434 -14.244 16 H ILE 114 H ILE 114 13.846 20.695 -11.596 17 HA ILE 114 HA ILE 114 14.650 21.651 -14.240 18 HB ILE 114 HB ILE 114 16.086 19.654 -14.141 19 1HG1 ILE 114 2HG1 ILE 114 14.582 18.972 -11.597 20 2HG1 ILE 114 1HG1 ILE 114 14.299 18.178 -13.146 21 1HG2 ILE 114 1HG2 ILE 114 17.435 20.679 -12.645 22 2HG2 ILE 114 2HG2 ILE 114 16.306 20.388 -11.322 23 3HG2 ILE 114 3HG2 ILE 114 16.101 21.798 -12.362 24 1HD1 ILE 114 1HD1 ILE 114 15.850 16.781 -11.993 25 2HD1 ILE 114 2HD1 ILE 114 16.824 18.161 -11.485 26 3HD1 ILE 114 3HD1 ILE 114 16.807 17.669 -13.179 27 H GLU 115 H GLU 115 14.830 19.316 -15.723 28 HA GLU 115 HA GLU 115 11.981 18.425 -16.025 29 1HB GLU 115 2HB GLU 115 13.966 19.588 -17.957 30 2HB GLU 115 1HB GLU 115 12.747 18.463 -18.555 31 1HG GLU 115 2HG GLU 115 11.579 20.429 -16.758 32 2HG GLU 115 1HG GLU 115 12.396 21.204 -18.116 33 H THR 116 H THR 116 12.032 16.468 -17.713 34 HA THR 116 HA THR 116 12.622 14.189 -17.958 35 HB THR 116 HB THR 116 15.494 14.770 -17.713 36 HG1 THR 116 1HG THR 116 15.446 16.255 -19.464 37 1HG2 THR 116 1HG2 THR 116 13.656 13.915 -19.964 38 2HG2 THR 116 2HG2 THR 116 14.667 12.867 -18.969 39 3HG2 THR 116 3HG2 THR 116 15.412 14.001 -20.096 40 H ASP 117 H ASP 117 11.793 13.964 -15.625 41 HA ASP 117 HA ASP 117 13.977 12.819 -13.949 42 1HB ASP 117 2HB ASP 117 13.460 15.246 -13.378 43 2HB ASP 117 1HB ASP 117 11.849 14.709 -12.904 44 H GLU 118 H GLU 118 13.203 11.155 -12.527 45 HA GLU 118 HA GLU 118 10.354 10.327 -12.995 46 1HB GLU 118 2HB GLU 118 12.716 8.507 -12.466 47 2HB GLU 118 1HB GLU 118 11.140 8.070 -13.127 48 1HG GLU 118 2HG GLU 118 12.214 8.225 -15.133 49 2HG GLU 118 1HG GLU 118 11.934 9.955 -14.929 50 H ARG 119 H ARG 119 10.569 8.134 -11.117 51 HA ARG 119 HA ARG 119 10.259 7.725 -8.811 52 1HB ARG 119 2HB ARG 119 12.672 8.253 -8.853 53 2HB ARG 119 1HB ARG 119 12.302 9.971 -8.696 54 1HG ARG 119 2HG ARG 119 11.031 9.331 -6.554 55 2HG ARG 119 1HG ARG 119 11.855 7.777 -6.670 56 1HD ARG 119 2HD ARG 119 13.491 8.838 -5.460 57 2HD ARG 119 1HD ARG 119 13.946 9.527 -7.030 58 HE ARG 119 HE ARG 119 13.092 11.589 -6.272 59 1HH1 ARG 119 1HH1 ARG 119 13.143 10.134 -3.485 60 2HH1 ARG 119 2HH1 ARG 119 11.589 10.609 -2.889 61 1HH2 ARG 119 1HH2 ARG 119 10.445 11.706 -5.973 62 2HH2 ARG 119 2HH2 ARG 119 10.061 11.500 -4.298 63 H ASP 120 H ASP 120 8.345 8.334 -7.888 64 HA ASP 120 HA ASP 120 7.963 11.045 -6.870 65 1HB ASP 120 2HB ASP 120 6.887 10.127 -9.478 66 2HB ASP 120 1HB ASP 120 5.739 10.974 -8.441 67 H SER 121 H SER 121 5.558 8.716 -8.096 68 HA SER 121 HA SER 121 3.984 7.387 -6.933 69 1HB SER 121 2HB SER 121 6.325 6.934 -5.760 70 2HB SER 121 1HB SER 121 5.576 7.808 -4.426 71 HG SER 121 HG SER 121 4.371 6.131 -4.057 72 H THR 122 H THR 122 2.219 7.674 -5.381 73 HA THR 122 HA THR 122 2.043 10.448 -4.249 74 HB THR 122 HB THR 122 -0.465 10.092 -4.877 75 HG1 THR 122 1HG THR 122 0.797 8.266 -6.637 76 1HG2 THR 122 1HG2 THR 122 0.550 11.760 -6.115 77 2HG2 THR 122 2HG2 THR 122 0.238 10.583 -7.391 78 3HG2 THR 122 3HG2 THR 122 1.845 10.701 -6.675 79 H ASN 123 H ASN 123 1.287 7.021 -3.910 80 HA ASN 123 HA ASN 123 0.653 7.507 -1.038 81 1HB ASN 123 2HB ASN 123 -1.058 6.042 -3.069 82 2HB ASN 123 1HB ASN 123 -1.347 6.007 -1.329 83 1HD2 ASN 123 1HD2 ASN 123 -1.732 7.916 -4.226 84 2HD2 ASN 123 2HD2 ASN 123 -2.477 9.251 -3.489 85 H ARG 124 H ARG 124 2.869 6.184 -2.708 86 HA ARG 124 HA ARG 124 2.971 3.685 -1.106 87 1HB ARG 124 2HB ARG 124 1.921 3.560 -3.567 88 2HB ARG 124 1HB ARG 124 3.626 3.489 -4.015 89 1HG ARG 124 2HG ARG 124 3.449 1.742 -1.858 90 2HG ARG 124 1HG ARG 124 1.958 1.448 -2.753 91 1HD ARG 124 2HD ARG 124 4.736 1.462 -3.993 92 2HD ARG 124 1HD ARG 124 3.811 0.003 -3.583 93 HE ARG 124 HE ARG 124 2.327 1.925 -5.225 94 1HH1 ARG 124 1HH1 ARG 124 3.159 -1.268 -4.858 95 2HH1 ARG 124 2HH1 ARG 124 3.307 -1.625 -6.546 96 1HH2 ARG 124 1HH2 ARG 124 3.076 1.689 -7.540 97 2HH2 ARG 124 2HH2 ARG 124 3.261 0.048 -8.064 98 H ALA 125 H ALA 125 4.689 5.086 -0.100 99 HA ALA 125 HA ALA 125 7.214 5.046 -1.725 100 1HB ALA 125 1HB ALA 125 6.568 6.959 0.521 101 2HB ALA 125 2HB ALA 125 6.043 7.277 -1.133 102 3HB ALA 125 3HB ALA 125 7.763 7.146 -0.763 103 H SER 126 H SER 126 9.172 4.632 -0.464 104 HA SER 126 HA SER 126 8.818 3.665 2.320 105 1HB SER 126 2HB SER 126 8.259 1.767 0.851 106 2HB SER 126 1HB SER 126 9.787 1.966 -0.003 107 HG SER 126 HG SER 126 9.681 0.355 1.767 108 H PHE 127 H PHE 127 10.621 4.232 3.485 109 HA PHE 127 HA PHE 127 13.204 4.623 2.010 110 1HB PHE 127 2HB PHE 127 12.176 6.374 4.258 111 2HB PHE 127 1HB PHE 127 13.501 6.711 3.143 112 HD1 PHE 127 1HD PHE 127 9.815 6.296 3.390 113 HD2 PHE 127 2HD PHE 127 13.104 7.673 0.996 114 HE1 PHE 127 1HE PHE 127 8.224 7.381 1.828 115 HE2 PHE 127 2HE PHE 127 11.513 8.759 -0.566 116 HZ PHE 127 HZ PHE 127 9.073 8.613 -0.150 117 H LYS 128 H LYS 128 15.095 4.251 3.344 118 HA LYS 128 HA LYS 128 14.538 2.912 5.954 119 1HB LYS 128 2HB LYS 128 14.968 1.130 4.485 120 2HB LYS 128 1HB LYS 128 16.141 2.060 3.555 121 1HG LYS 128 2HG LYS 128 17.855 1.501 4.934 122 2HG LYS 128 1HG LYS 128 16.876 1.723 6.384 123 1HD LYS 128 2HD LYS 128 16.155 -0.606 4.698 124 2HD LYS 128 1HD LYS 128 17.715 -0.707 5.515 125 1HE LYS 128 2HE LYS 128 16.739 -0.988 7.550 126 2HE LYS 128 1HE LYS 128 15.568 0.313 7.252 127 1HZ LYS 128 1HZ LYS 128 15.453 -2.495 6.308 128 2HZ LYS 128 2HZ LYS 128 14.507 -1.265 5.616 129 3HZ LYS 128 3HZ LYS 128 14.316 -1.667 7.256 130 H CYS 129 H CYS 129 16.120 3.256 7.565 131 HA CYS 129 HA CYS 129 17.961 5.527 7.063 132 1HB CYS 129 2HB CYS 129 16.286 5.532 8.921 133 2HB CYS 129 1HB CYS 129 17.094 4.128 9.609 134 HA PRO 130 HA PRO 130 21.206 2.465 6.901 135 1HB PRO 130 2HB PRO 130 23.256 4.227 6.491 136 2HB PRO 130 1HB PRO 130 22.135 3.729 5.209 137 1HG PRO 130 2HG PRO 130 22.193 6.234 6.805 138 2HG PRO 130 1HG PRO 130 21.775 5.987 5.104 139 1HD PRO 130 2HD PRO 130 19.935 6.344 7.108 140 2HD PRO 130 1HD PRO 130 19.598 5.507 5.578 141 H VAL 131 H VAL 131 20.771 4.940 9.243 142 HA VAL 131 HA VAL 131 23.192 4.189 10.770 143 HB VAL 131 HB VAL 131 21.038 6.283 11.000 144 1HG1 VAL 131 1HG1 VAL 131 23.125 6.759 12.879 145 2HG1 VAL 131 2HG1 VAL 131 22.549 5.115 13.145 146 3HG1 VAL 131 3HG1 VAL 131 21.418 6.466 13.211 147 1HG2 VAL 131 1HG2 VAL 131 23.039 7.778 10.794 148 2HG2 VAL 131 2HG2 VAL 131 22.819 6.729 9.394 149 3HG2 VAL 131 3HG2 VAL 131 24.045 6.344 10.600 150 H CYS 132 H CYS 132 19.847 4.770 11.887 151 HA CYS 132 HA CYS 132 20.197 2.623 13.878 152 1HB CYS 132 2HB CYS 132 18.247 3.558 14.876 153 2HB CYS 132 1HB CYS 132 19.140 4.932 14.231 154 H SER 133 H SER 133 19.750 2.318 10.796 155 HA SER 133 HA SER 133 18.661 0.822 9.353 156 1HB SER 133 2HB SER 133 18.133 -1.370 10.796 157 2HB SER 133 1HB SER 133 19.777 -0.893 10.392 158 HG SER 133 HG SER 133 20.052 -0.111 12.405 159 H SER 134 H SER 134 16.841 2.747 10.815 160 HA SER 134 HA SER 134 14.392 1.179 11.272 161 1HB SER 134 2HB SER 134 15.195 4.087 11.314 162 2HB SER 134 1HB SER 134 13.504 3.615 11.450 163 HG SER 134 HG SER 134 14.536 2.079 13.129 164 H THR 135 H THR 135 12.415 2.622 10.022 165 HA THR 135 HA THR 135 13.148 3.042 7.188 166 HB THR 135 HB THR 135 11.091 0.949 7.890 167 HG1 THR 135 1HG THR 135 12.638 -0.347 8.404 168 1HG2 THR 135 1HG2 THR 135 12.817 1.464 5.452 169 2HG2 THR 135 2HG2 THR 135 11.104 1.852 5.601 170 3HG2 THR 135 3HG2 THR 135 11.630 0.169 5.607 171 H PHE 136 H PHE 136 11.202 3.751 5.911 172 HA PHE 136 HA PHE 136 8.894 4.696 7.530 173 1HB PHE 136 2HB PHE 136 10.599 6.531 5.824 174 2HB PHE 136 1HB PHE 136 9.281 6.998 6.892 175 HD1 PHE 136 1HD PHE 136 9.527 6.847 9.349 176 HD2 PHE 136 2HD PHE 136 12.797 6.022 6.690 177 HE1 PHE 136 1HE PHE 136 11.117 7.060 11.238 178 HE2 PHE 136 2HE PHE 136 14.388 6.237 8.579 179 HZ PHE 136 HZ PHE 136 13.547 6.762 10.852 180 H THR 137 H THR 137 7.223 5.712 6.013 181 HA THR 137 HA THR 137 7.404 4.553 3.251 182 HB THR 137 HB THR 137 4.726 4.507 3.947 183 HG1 THR 137 1HG THR 137 5.366 5.023 6.104 184 1HG2 THR 137 1HG2 THR 137 5.845 2.020 4.727 185 2HG2 THR 137 2HG2 THR 137 6.865 2.658 3.436 186 3HG2 THR 137 3HG2 THR 137 5.135 2.441 3.169 187 H ASP 138 H ASP 138 5.079 5.557 2.203 188 HA ASP 138 HA ASP 138 5.661 8.247 1.562 189 1HB ASP 138 2HB ASP 138 3.192 8.197 0.848 190 2HB ASP 138 1HB ASP 138 4.226 6.933 0.180 191 H LEU 139 H LEU 139 3.405 6.935 4.005 192 HA LEU 139 HA LEU 139 2.281 9.363 4.927 193 1HB LEU 139 2HB LEU 139 2.888 6.652 6.057 194 2HB LEU 139 1HB LEU 139 2.315 7.907 7.156 195 HG LEU 139 HG LEU 139 0.921 6.945 4.640 196 1HD1 LEU 139 1HD1 LEU 139 -0.465 5.738 6.005 197 2HD1 LEU 139 2HD1 LEU 139 -0.384 6.926 7.306 198 3HD1 LEU 139 3HD1 LEU 139 0.928 5.766 7.087 199 1HD2 LEU 139 1HD2 LEU 139 -0.082 8.968 4.622 200 2HD2 LEU 139 2HD2 LEU 139 0.769 9.448 6.090 201 3HD2 LEU 139 3HD2 LEU 139 -0.765 8.586 6.203 202 H GLU 140 H GLU 140 5.286 7.714 5.924 203 HA GLU 140 HA GLU 140 5.997 9.832 7.822 204 1HB GLU 140 2HB GLU 140 7.511 7.466 6.665 205 2HB GLU 140 1HB GLU 140 8.038 8.428 8.046 206 1HG GLU 140 2HG GLU 140 5.275 7.350 8.196 207 2HG GLU 140 1HG GLU 140 6.575 6.162 8.302 208 H ALA 141 H ALA 141 6.108 9.562 4.474 209 HA ALA 141 HA ALA 141 8.695 10.805 3.964 210 1HB ALA 141 1HB ALA 141 6.194 10.528 2.262 211 2HB ALA 141 2HB ALA 141 7.462 9.310 2.398 212 3HB ALA 141 3HB ALA 141 7.817 10.875 1.664 213 H ASN 142 H ASN 142 5.310 11.951 4.059 214 HA ASN 142 HA ASN 142 6.015 14.703 3.410 215 1HB ASN 142 2HB ASN 142 3.605 15.049 4.004 216 2HB ASN 142 1HB ASN 142 3.843 13.723 2.866 217 1HD2 ASN 142 1HD2 ASN 142 1.822 12.703 3.642 218 2HD2 ASN 142 2HD2 ASN 142 1.783 11.899 5.137 219 H GLN 143 H GLN 143 6.196 12.821 6.264 220 HA GLN 143 HA GLN 143 6.046 15.252 7.999 221 1HB GLN 143 2HB GLN 143 5.452 13.763 9.732 222 2HB GLN 143 1HB GLN 143 4.682 13.048 8.317 223 1HG GLN 143 2HG GLN 143 6.674 11.563 8.034 224 2HG GLN 143 1HG GLN 143 7.334 12.221 9.533 225 1HE2 GLN 143 1HE2 GLN 143 7.091 10.486 10.991 226 2HE2 GLN 143 2HE2 GLN 143 5.615 9.708 11.304 227 H LEU 144 H LEU 144 8.274 13.173 6.487 228 HA LEU 144 HA LEU 144 10.396 13.805 8.510 229 1HB LEU 144 2HB LEU 144 10.042 11.630 6.431 230 2HB LEU 144 1HB LEU 144 11.552 11.873 7.310 231 HG LEU 144 HG LEU 144 8.858 11.393 8.617 232 1HD1 LEU 144 1HD1 LEU 144 9.891 9.450 7.305 233 2HD1 LEU 144 2HD1 LEU 144 9.569 9.148 9.013 234 3HD1 LEU 144 3HD1 LEU 144 11.212 9.497 8.473 235 1HD2 LEU 144 1HD2 LEU 144 11.016 10.796 10.332 236 2HD2 LEU 144 2HD2 LEU 144 9.915 12.167 10.456 237 3HD2 LEU 144 3HD2 LEU 144 11.431 12.331 9.570 238 H PHE 145 H PHE 145 9.411 14.147 5.163 239 HA PHE 145 HA PHE 145 11.762 14.739 3.800 240 1HB PHE 145 2HB PHE 145 9.328 14.738 3.031 241 2HB PHE 145 1HB PHE 145 9.220 16.382 3.658 242 HD1 PHE 145 1HD PHE 145 9.596 18.107 2.147 243 HD2 PHE 145 2HD PHE 145 11.552 14.332 1.538 244 HE1 PHE 145 1HE PHE 145 10.612 18.970 0.056 245 HE2 PHE 145 2HE PHE 145 12.569 15.195 -0.553 246 HZ PHE 145 HZ PHE 145 12.097 17.515 -1.293 247 H ASP 146 H ASP 146 13.087 16.592 3.593 248 HA ASP 146 HA ASP 146 12.551 18.878 5.445 249 1HB ASP 146 2HB ASP 146 14.631 16.819 5.557 250 2HB ASP 146 1HB ASP 146 15.302 18.452 5.541 251 HA PRO 147 HA PRO 147 13.681 21.017 1.731 252 1HB PRO 147 2HB PRO 147 13.708 23.539 2.789 253 2HB PRO 147 1HB PRO 147 12.209 22.665 2.417 254 1HG PRO 147 2HG PRO 147 13.560 23.071 5.034 255 2HG PRO 147 1HG PRO 147 11.834 23.047 4.645 256 1HD PRO 147 2HD PRO 147 13.169 20.950 5.789 257 2HD PRO 147 1HD PRO 147 11.697 20.774 4.809 258 H MET 148 H MET 148 15.467 21.141 4.732 259 HA MET 148 HA MET 148 17.706 22.719 3.800 260 1HB MET 148 2HB MET 148 18.741 21.851 5.859 261 2HB MET 148 1HB MET 148 17.070 22.322 6.170 262 1HG MET 148 2HG MET 148 16.371 19.957 5.869 263 2HG MET 148 1HG MET 148 18.060 19.506 5.638 264 1HE MET 148 1HE MET 148 16.745 22.307 8.287 265 2HE MET 148 2HE MET 148 16.017 21.131 9.380 266 3HE MET 148 3HE MET 148 15.494 21.203 7.698 267 H THR 149 H THR 149 16.877 19.293 3.637 268 HA THR 149 HA THR 149 19.500 18.773 2.274 269 HB THR 149 HB THR 149 19.342 17.518 4.298 270 HG1 THR 149 1HG THR 149 19.585 16.357 2.115 271 1HG2 THR 149 1HG2 THR 149 17.154 15.985 4.433 272 2HG2 THR 149 2HG2 THR 149 16.474 17.322 3.507 273 3HG2 THR 149 3HG2 THR 149 17.185 17.620 5.093 274 H GLY 150 H GLY 150 16.065 18.817 1.930 275 1HA GLY 150 2HA GLY 150 14.754 18.448 0.008 276 2HA GLY 150 1HA GLY 150 16.244 18.139 -0.886 277 H THR 151 H THR 151 15.543 16.380 2.048 278 HA THR 151 HA THR 151 14.588 14.018 0.505 279 HB THR 151 HB THR 151 16.853 13.689 2.441 280 HG1 THR 151 1HG THR 151 18.301 14.128 0.754 281 1HG2 THR 151 1HG2 THR 151 16.903 11.625 1.544 282 2HG2 THR 151 2HG2 THR 151 16.967 12.276 -0.094 283 3HG2 THR 151 3HG2 THR 151 15.411 12.037 0.700 284 H PHE 152 H PHE 152 14.499 12.122 2.382 285 HA PHE 152 HA PHE 152 12.738 13.279 4.481 286 1HB PHE 152 2HB PHE 152 13.278 10.383 3.768 287 2HB PHE 152 1HB PHE 152 11.876 11.035 4.616 288 HD1 PHE 152 1HD PHE 152 10.354 12.674 3.361 289 HD2 PHE 152 2HD PHE 152 13.308 10.242 1.408 290 HE1 PHE 152 1HE PHE 152 9.200 13.013 1.193 291 HE2 PHE 152 2HE PHE 152 12.153 10.581 -0.762 292 HZ PHE 152 HZ PHE 152 10.099 11.967 -0.868 293 H ARG 153 H ARG 153 13.455 13.413 6.583 294 HA ARG 153 HA ARG 153 16.067 12.128 7.241 295 1HB ARG 153 2HB ARG 153 14.513 14.528 8.120 296 2HB ARG 153 1HB ARG 153 15.630 13.797 9.277 297 1HG ARG 153 2HG ARG 153 17.418 13.905 7.506 298 2HG ARG 153 1HG ARG 153 16.294 14.822 6.502 299 1HD ARG 153 2HD ARG 153 16.443 16.713 7.824 300 2HD ARG 153 1HD ARG 153 16.730 15.777 9.306 301 HE ARG 153 HE ARG 153 18.788 16.196 7.171 302 1HH1 ARG 153 1HH1 ARG 153 18.166 14.364 9.899 303 2HH1 ARG 153 2HH1 ARG 153 19.600 14.819 10.755 304 1HH2 ARG 153 1HH2 ARG 153 20.500 17.274 8.476 305 2HH2 ARG 153 2HH2 ARG 153 20.923 16.467 9.949 306 H CYS 154 H CYS 154 16.256 10.733 8.988 307 HA CYS 154 HA CYS 154 14.212 9.004 9.768 308 1HB CYS 154 2HB CYS 154 16.759 8.997 10.128 309 2HB CYS 154 1HB CYS 154 16.441 9.977 11.557 310 H THR 155 H THR 155 13.450 8.886 12.232 311 HA THR 155 HA THR 155 12.498 11.618 13.029 312 HB THR 155 HB THR 155 10.734 9.565 13.940 313 HG1 THR 155 1HG THR 155 10.191 8.675 11.907 314 1HG2 THR 155 1HG2 THR 155 9.550 10.834 11.760 315 2HG2 THR 155 2HG2 THR 155 10.719 12.012 12.358 316 3HG2 THR 155 3HG2 THR 155 9.481 11.371 13.439 317 H PHE 156 H PHE 156 14.079 8.705 13.999 318 HA PHE 156 HA PHE 156 13.829 9.482 16.867 319 1HB PHE 156 2HB PHE 156 15.025 6.928 16.566 320 2HB PHE 156 1HB PHE 156 13.442 7.302 17.219 321 HD1 PHE 156 1HD PHE 156 11.460 6.800 16.022 322 HD2 PHE 156 2HD PHE 156 15.272 6.580 14.058 323 HE1 PHE 156 1HE PHE 156 10.386 5.734 14.060 324 HE2 PHE 156 2HE PHE 156 14.197 5.523 12.095 325 HZ PHE 156 HZ PHE 156 11.755 5.093 12.094 326 H CYS 157 H CYS 157 16.108 8.603 14.317 327 HA CYS 157 HA CYS 157 18.305 9.595 16.086 328 1HB CYS 157 2HB CYS 157 19.519 7.760 15.480 329 2HB CYS 157 1HB CYS 157 17.946 7.092 15.074 330 H HIS 158 H HIS 158 16.413 10.832 13.975 331 HA HIS 158 HA HIS 158 16.528 12.313 12.125 332 1HB HIS 158 2HB HIS 158 18.546 13.029 14.226 333 2HB HIS 158 1HB HIS 158 18.368 14.053 12.800 334 HD1 HIS 158 1HD HIS 158 16.160 15.368 12.531 335 HD2 HIS 158 2HD HIS 158 16.260 12.986 15.950 336 HE1 HIS 158 1HE HIS 158 14.178 16.063 13.947 337 H THR 159 H THR 159 18.231 9.851 11.620 338 HA THR 159 HA THR 159 20.571 10.976 10.202 339 HB THR 159 HB THR 159 19.421 8.225 10.690 340 HG1 THR 159 1HG THR 159 21.325 8.032 11.875 341 1HG2 THR 159 1HG2 THR 159 20.590 8.637 8.361 342 2HG2 THR 159 2HG2 THR 159 21.014 7.221 9.318 343 3HG2 THR 159 3HG2 THR 159 22.062 8.639 9.329 344 H GLU 160 H GLU 160 20.713 11.062 7.922 345 HA GLU 160 HA GLU 160 18.332 11.492 6.415 346 1HB GLU 160 2HB GLU 160 20.995 11.958 6.135 347 2HB GLU 160 1HB GLU 160 20.793 10.615 5.010 348 1HG GLU 160 2HG GLU 160 19.832 11.980 3.504 349 2HG GLU 160 1HG GLU 160 18.605 12.449 4.681 350 H VAL 161 H VAL 161 16.940 10.027 5.517 351 HA VAL 161 HA VAL 161 17.761 7.159 5.405 352 HB VAL 161 HB VAL 161 15.384 6.740 5.428 353 1HG1 VAL 161 1HG1 VAL 161 15.743 9.162 7.199 354 2HG1 VAL 161 2HG1 VAL 161 16.530 7.622 7.549 355 3HG1 VAL 161 3HG1 VAL 161 14.770 7.724 7.505 356 1HG2 VAL 161 1HG2 VAL 161 15.317 9.348 4.178 357 2HG2 VAL 161 2HG2 VAL 161 14.212 9.308 5.553 358 3HG2 VAL 161 3HG2 VAL 161 14.048 8.126 4.254 359 H GLU 162 H GLU 162 17.184 5.936 3.439 360 HA GLU 162 HA GLU 162 17.019 7.657 0.985 361 1HB GLU 162 2HB GLU 162 18.766 5.330 1.755 362 2HB GLU 162 1HB GLU 162 18.432 5.649 0.053 363 1HG GLU 162 2HG GLU 162 19.055 8.156 0.921 364 2HG GLU 162 1HG GLU 162 20.087 7.181 1.968 365 H GLU 163 H GLU 163 16.026 6.517 -0.884 366 HA GLU 163 HA GLU 163 13.596 5.170 -0.239 367 1HB GLU 163 2HB GLU 163 15.264 5.647 -2.694 368 2HB GLU 163 1HB GLU 163 13.843 4.608 -2.803 369 1HG GLU 163 2HG GLU 163 13.148 6.954 -1.305 370 2HG GLU 163 1HG GLU 163 13.923 7.453 -2.809 371 H ASP 164 H ASP 164 13.220 3.035 0.211 372 HA ASP 164 HA ASP 164 15.473 1.113 -0.014 373 1HB ASP 164 2HB ASP 164 14.205 1.409 2.101 374 2HB ASP 164 1HB ASP 164 12.726 0.930 1.267 375 H GLU 165 H GLU 165 15.560 0.030 -1.950 376 HA GLU 165 HA GLU 165 13.008 -0.583 -3.379 377 1HB GLU 165 2HB GLU 165 15.140 0.657 -4.305 378 2HB GLU 165 1HB GLU 165 15.786 -0.977 -4.461 379 1HG GLU 165 2HG GLU 165 13.645 -1.571 -5.707 380 2HG GLU 165 1HG GLU 165 13.298 0.157 -5.756 381 H SER 166 H SER 166 15.110 -2.043 -1.238 382 HA SER 166 HA SER 166 15.316 -4.684 -2.472 383 1HB SER 166 2HB SER 166 16.674 -3.331 -0.574 384 2HB SER 166 1HB SER 166 15.596 -4.259 0.464 385 HG SER 166 HG SER 166 17.606 -5.322 -0.092 386 H ALA 167 H ALA 167 12.742 -3.026 -1.098 387 HA ALA 167 HA ALA 167 11.533 -5.363 0.260 388 1HB ALA 167 1HB ALA 167 10.742 -2.480 -0.224 389 2HB ALA 167 2HB ALA 167 11.271 -3.208 1.292 390 3HB ALA 167 3HB ALA 167 9.697 -3.626 0.616 391 H MET 168 H MET 168 12.025 -5.603 -2.614 392 HA MET 168 HA MET 168 9.202 -6.006 -3.507 393 1HB MET 168 2HB MET 168 11.343 -4.277 -4.640 394 2HB MET 168 1HB MET 168 10.391 -5.200 -5.802 395 1HG MET 168 2HG MET 168 8.310 -4.310 -4.734 396 2HG MET 168 1HG MET 168 9.318 -3.297 -3.700 397 1HE MET 168 1HE MET 168 7.942 -0.981 -4.839 398 2HE MET 168 2HE MET 168 7.057 -2.432 -5.303 399 3HE MET 168 3HE MET 168 7.438 -1.214 -6.517 400 HA PRO 169 HA PRO 169 11.743 -9.740 -4.264 401 1HB PRO 169 2HB PRO 169 9.725 -11.502 -3.706 402 2HB PRO 169 1HB PRO 169 10.760 -10.791 -2.451 403 1HG PRO 169 2HG PRO 169 7.996 -10.057 -3.265 404 2HG PRO 169 1HG PRO 169 8.727 -10.094 -1.653 405 1HD PRO 169 2HD PRO 169 8.333 -7.803 -3.096 406 2HD PRO 169 1HD PRO 169 9.595 -7.991 -1.858 407 H LYS 170 H LYS 170 11.936 -10.102 -6.447 408 HA LYS 170 HA LYS 170 9.477 -10.115 -8.139 409 1HB LYS 170 2HB LYS 170 12.446 -9.802 -8.645 410 2HB LYS 170 1HB LYS 170 11.276 -9.958 -9.955 411 1HG LYS 170 2HG LYS 170 11.067 -7.706 -9.805 412 2HG LYS 170 1HG LYS 170 10.116 -8.032 -8.355 413 1HD LYS 170 2HD LYS 170 11.743 -6.524 -7.580 414 2HD LYS 170 1HD LYS 170 12.422 -8.093 -7.141 415 1HE LYS 170 2HE LYS 170 13.733 -8.064 -9.291 416 2HE LYS 170 1HE LYS 170 13.156 -6.408 -9.560 417 1HZ LYS 170 1HZ LYS 170 13.918 -6.240 -7.027 418 2HZ LYS 170 2HZ LYS 170 14.963 -5.899 -8.323 419 3HZ LYS 170 3HZ LYS 170 15.018 -7.415 -7.559 420 H LYS 171 H LYS 171 10.017 -11.705 -10.184 421 HA LYS 171 HA LYS 171 10.992 -14.320 -9.104 422 1HB LYS 171 2HB LYS 171 8.295 -13.461 -9.816 423 2HB LYS 171 1HB LYS 171 8.790 -14.889 -10.727 424 1HG LYS 171 2HG LYS 171 9.282 -16.105 -8.714 425 2HG LYS 171 1HG LYS 171 9.101 -14.656 -7.724 426 1HD LYS 171 2HD LYS 171 6.834 -15.724 -9.411 427 2HD LYS 171 1HD LYS 171 7.110 -16.284 -7.761 428 1HE LYS 171 2HE LYS 171 7.133 -13.336 -8.101 429 2HE LYS 171 1HE LYS 171 5.561 -14.123 -8.345 430 1HZ LYS 171 1HZ LYS 171 7.341 -14.286 -5.985 431 2HZ LYS 171 2HZ LYS 171 6.125 -15.438 -6.269 432 3HZ LYS 171 3HZ LYS 171 5.717 -13.804 -6.040 433 H ASP 172 H ASP 172 9.875 -12.572 -12.025 434 HA ASP 172 HA ASP 172 12.055 -13.945 -13.556 435 1HB ASP 172 2HB ASP 172 9.776 -14.981 -13.856 436 2HB ASP 172 1HB ASP 172 9.217 -13.437 -14.499 437 H ALA 173 H ALA 173 12.789 -11.564 -12.787 438 HA ALA 173 HA ALA 173 11.731 -9.289 -14.211 439 1HB ALA 173 1HB ALA 173 12.965 -8.697 -12.353 440 2HB ALA 173 2HB ALA 173 14.239 -8.562 -13.564 441 3HB ALA 173 3HB ALA 173 14.117 -10.015 -12.571 442 H ARG 174 H ARG 174 15.069 -10.459 -14.605 443 HA ARG 174 HA ARG 174 14.906 -9.810 -17.503 444 1HB ARG 174 2HB ARG 174 16.899 -9.858 -15.356 445 2HB ARG 174 1HB ARG 174 17.496 -10.593 -16.845 446 1HG ARG 174 2HG ARG 174 15.994 -8.051 -17.160 447 2HG ARG 174 1HG ARG 174 17.578 -7.927 -16.393 448 1HD ARG 174 2HD ARG 174 17.464 -9.651 -18.813 449 2HD ARG 174 1HD ARG 174 17.265 -7.907 -19.086 450 HE ARG 174 HE ARG 174 19.432 -7.537 -18.044 451 1HH1 ARG 174 1HH1 ARG 174 19.101 -10.436 -19.608 452 2HH1 ARG 174 2HH1 ARG 174 20.405 -11.245 -18.803 453 1HH2 ARG 174 1HH2 ARG 174 20.850 -8.747 -16.440 454 2HH2 ARG 174 2HH2 ARG 174 21.393 -10.290 -17.009 Start of MODEL 9 1 1H ARG 113 1HT ARG 113 -7.852 14.705 -1.907 2 2H ARG 113 2HT ARG 113 -6.565 14.978 -2.982 3 3H ARG 113 3HT ARG 113 -8.128 14.684 -3.581 4 HA ARG 113 HA ARG 113 -7.807 17.007 -3.782 5 1HB ARG 113 2HB ARG 113 -9.664 15.722 -2.003 6 2HB ARG 113 1HB ARG 113 -9.309 17.335 -1.383 7 1HG ARG 113 2HG ARG 113 -9.583 17.848 -4.056 8 2HG ARG 113 1HG ARG 113 -10.742 16.536 -3.839 9 1HD ARG 113 2HD ARG 113 -12.185 18.094 -3.032 10 2HD ARG 113 1HD ARG 113 -11.126 18.223 -1.614 11 HE ARG 113 HE ARG 113 -10.011 20.103 -2.657 12 1HH1 ARG 113 1HH1 ARG 113 -11.933 18.489 -4.958 13 2HH1 ARG 113 2HH1 ARG 113 -12.345 19.921 -5.843 14 1HH2 ARG 113 1HH2 ARG 113 -10.808 22.069 -3.596 15 2HH2 ARG 113 2HH2 ARG 113 -11.707 21.949 -5.072 16 H ILE 114 H ILE 114 -6.564 15.645 -0.805 17 HA ILE 114 HA ILE 114 -5.213 18.263 -0.226 18 HB ILE 114 HB ILE 114 -6.353 16.143 1.618 19 1HG1 ILE 114 2HG1 ILE 114 -7.008 19.089 1.522 20 2HG1 ILE 114 1HG1 ILE 114 -7.836 17.934 0.476 21 1HG2 ILE 114 1HG2 ILE 114 -4.837 18.678 2.310 22 2HG2 ILE 114 2HG2 ILE 114 -4.200 17.042 2.470 23 3HG2 ILE 114 3HG2 ILE 114 -5.563 17.559 3.462 24 1HD1 ILE 114 1HD1 ILE 114 -9.248 17.634 2.224 25 2HD1 ILE 114 2HD1 ILE 114 -8.131 18.384 3.365 26 3HD1 ILE 114 3HD1 ILE 114 -7.942 16.684 2.934 27 H GLU 115 H GLU 115 -4.993 14.716 -0.126 28 HA GLU 115 HA GLU 115 -2.362 14.463 0.924 29 1HB GLU 115 2HB GLU 115 -4.237 12.885 -0.787 30 2HB GLU 115 1HB GLU 115 -2.564 12.335 -0.690 31 1HG GLU 115 2HG GLU 115 -3.866 11.246 1.063 32 2HG GLU 115 1HG GLU 115 -2.736 12.381 1.801 33 H THR 116 H THR 116 -3.495 15.336 -2.293 34 HA THR 116 HA THR 116 -0.796 15.055 -3.473 35 HB THR 116 HB THR 116 -3.490 15.989 -4.512 36 HG1 THR 116 1HG THR 116 -3.621 13.861 -4.283 37 1HG2 THR 116 1HG2 THR 116 -1.690 15.159 -6.574 38 2HG2 THR 116 2HG2 THR 116 -0.885 16.387 -5.595 39 3HG2 THR 116 3HG2 THR 116 -2.441 16.740 -6.348 40 H ASP 117 H ASP 117 0.575 16.697 -2.783 41 HA ASP 117 HA ASP 117 -0.122 19.462 -3.527 42 1HB ASP 117 2HB ASP 117 -0.292 18.363 -0.807 43 2HB ASP 117 1HB ASP 117 0.708 19.813 -0.910 44 H GLU 118 H GLU 118 2.193 17.685 -1.429 45 HA GLU 118 HA GLU 118 4.445 19.337 -2.197 46 1HB GLU 118 2HB GLU 118 3.801 17.034 -0.498 47 2HB GLU 118 1HB GLU 118 5.415 16.930 -1.200 48 1HG GLU 118 2HG GLU 118 6.146 18.877 -0.153 49 2HG GLU 118 1HG GLU 118 4.513 19.526 0.006 50 H ARG 119 H ARG 119 6.467 17.542 -2.810 51 HA ARG 119 HA ARG 119 5.704 16.709 -5.572 52 1HB ARG 119 2HB ARG 119 7.628 18.310 -4.951 53 2HB ARG 119 1HB ARG 119 8.466 16.878 -4.351 54 1HG ARG 119 2HG ARG 119 8.813 16.035 -6.449 55 2HG ARG 119 1HG ARG 119 7.272 16.640 -7.057 56 1HD ARG 119 2HD ARG 119 8.301 18.987 -6.933 57 2HD ARG 119 1HD ARG 119 9.862 18.172 -6.709 58 HE ARG 119 HE ARG 119 8.262 17.153 -8.953 59 1HH1 ARG 119 1HH2 ARG 119 8.923 20.090 -9.402 60 2HH1 ARG 119 2HH2 ARG 119 10.422 19.971 -10.263 61 1HH2 ARG 119 1HH1 ARG 119 10.962 16.657 -9.395 62 2HH2 ARG 119 2HH1 ARG 119 11.574 18.026 -10.261 63 H ASP 120 H ASP 120 7.252 15.487 -2.607 64 HA ASP 120 HA ASP 120 7.644 12.798 -3.712 65 1HB ASP 120 2HB ASP 120 8.408 12.371 -1.376 66 2HB ASP 120 1HB ASP 120 9.162 13.811 -2.063 67 H SER 121 H SER 121 5.263 12.556 -4.299 68 HA SER 121 HA SER 121 3.823 11.273 -2.041 69 1HB SER 121 2HB SER 121 1.769 12.632 -2.786 70 2HB SER 121 1HB SER 121 3.014 13.514 -1.905 71 HG SER 121 HG SER 121 3.574 14.537 -3.695 72 H THR 122 H THR 122 2.395 12.351 -5.073 73 HA THR 122 HA THR 122 1.511 11.113 -6.881 74 HB THR 122 HB THR 122 4.008 9.607 -6.077 75 HG1 THR 122 1HG THR 122 4.551 10.563 -8.222 76 1HG2 THR 122 1HG2 THR 122 1.872 8.754 -7.849 77 2HG2 THR 122 2HG2 THR 122 3.308 7.873 -7.330 78 3HG2 THR 122 3HG2 THR 122 3.389 8.947 -8.727 79 H ASN 123 H ASN 123 2.789 8.241 -5.296 80 HA ASN 123 HA ASN 123 -0.021 7.410 -4.641 81 1HB ASN 123 2HB ASN 123 2.329 5.992 -5.895 82 2HB ASN 123 1HB ASN 123 1.029 5.078 -5.131 83 1HD2 ASN 123 1HD2 ASN 123 1.717 5.239 -8.053 84 2HD2 ASN 123 2HD2 ASN 123 0.311 5.803 -8.818 85 H ARG 124 H ARG 124 3.255 6.141 -3.957 86 HA ARG 124 HA ARG 124 2.979 6.689 -1.080 87 1HB ARG 124 2HB ARG 124 2.811 4.385 -0.419 88 2HB ARG 124 1HB ARG 124 1.590 4.627 -1.669 89 1HG ARG 124 2HG ARG 124 3.256 3.784 -3.358 90 2HG ARG 124 1HG ARG 124 4.328 3.378 -2.016 91 1HD ARG 124 2HD ARG 124 2.989 1.626 -1.297 92 2HD ARG 124 1HD ARG 124 1.502 2.378 -1.907 93 HE ARG 124 HE ARG 124 3.329 0.710 -3.463 94 1HH1 ARG 124 1HH1 ARG 124 0.296 0.937 -3.729 95 2HH1 ARG 124 2HH1 ARG 124 0.156 1.712 -5.272 96 1HH2 ARG 124 1HH2 ARG 124 3.473 2.718 -5.366 97 2HH2 ARG 124 2HH2 ARG 124 1.955 2.724 -6.197 98 H ALA 125 H ALA 125 4.947 5.368 0.039 99 HA ALA 125 HA ALA 125 7.262 5.048 -1.773 100 1HB ALA 125 1HB ALA 125 6.618 7.536 -0.698 101 2HB ALA 125 2HB ALA 125 8.195 7.067 -1.336 102 3HB ALA 125 3HB ALA 125 7.863 6.923 0.390 103 H SER 126 H SER 126 9.282 4.555 -0.365 104 HA SER 126 HA SER 126 8.702 3.459 2.317 105 1HB SER 126 2HB SER 126 9.583 1.190 1.449 106 2HB SER 126 1HB SER 126 7.943 1.637 0.984 107 HG SER 126 HG SER 126 8.744 2.329 -1.001 108 H PHE 127 H PHE 127 10.397 4.952 2.955 109 HA PHE 127 HA PHE 127 13.089 4.586 1.764 110 1HB PHE 127 2HB PHE 127 12.200 6.407 4.014 111 2HB PHE 127 1HB PHE 127 13.588 6.613 2.948 112 HD1 PHE 127 1HD PHE 127 13.098 6.835 0.403 113 HD2 PHE 127 2HD PHE 127 10.142 7.395 3.468 114 HE1 PHE 127 1HE PHE 127 11.687 8.108 -1.190 115 HE2 PHE 127 2HE PHE 127 8.731 8.668 1.876 116 HZ PHE 127 HZ PHE 127 9.503 9.025 -0.453 117 H LYS 128 H LYS 128 14.930 4.545 3.477 118 HA LYS 128 HA LYS 128 14.229 3.031 5.924 119 1HB LYS 128 2HB LYS 128 14.509 1.285 4.315 120 2HB LYS 128 1HB LYS 128 15.922 2.069 3.611 121 1HG LYS 128 2HG LYS 128 17.159 0.742 4.961 122 2HG LYS 128 1HG LYS 128 16.617 1.765 6.290 123 1HD LYS 128 2HD LYS 128 15.485 0.037 7.170 124 2HD LYS 128 1HD LYS 128 14.525 -0.091 5.695 125 1HE LYS 128 2HE LYS 128 16.316 -1.483 4.666 126 2HE LYS 128 1HE LYS 128 17.224 -1.400 6.189 127 1HZ LYS 128 1HZ LYS 128 14.554 -2.591 5.717 128 2HZ LYS 128 2HZ LYS 128 15.093 -2.184 7.276 129 3HZ LYS 128 3HZ LYS 128 15.935 -3.338 6.358 130 H CYS 129 H CYS 129 15.812 3.276 7.558 131 HA CYS 129 HA CYS 129 17.774 5.440 7.084 132 1HB CYS 129 2HB CYS 129 16.118 5.455 8.958 133 2HB CYS 129 1HB CYS 129 16.891 4.009 9.606 134 HA PRO 130 HA PRO 130 20.961 2.347 6.930 135 1HB PRO 130 2HB PRO 130 23.062 4.070 6.651 136 2HB PRO 130 1HB PRO 130 21.959 3.665 5.321 137 1HG PRO 130 2HG PRO 130 22.094 6.107 6.988 138 2HG PRO 130 1HG PRO 130 21.615 5.915 5.296 139 1HD PRO 130 2HD PRO 130 19.876 6.235 7.442 140 2HD PRO 130 1HD PRO 130 19.437 5.608 5.838 141 H VAL 131 H VAL 131 20.700 4.896 9.296 142 HA VAL 131 HA VAL 131 22.992 3.938 10.875 143 HB VAL 131 HB VAL 131 20.923 6.114 11.109 144 1HG1 VAL 131 1HG1 VAL 131 21.179 5.367 13.382 145 2HG1 VAL 131 2HG1 VAL 131 22.192 6.800 13.200 146 3HG1 VAL 131 3HG1 VAL 131 22.925 5.195 13.189 147 1HG2 VAL 131 1HG2 VAL 131 23.958 6.146 11.051 148 2HG2 VAL 131 2HG2 VAL 131 22.893 7.549 10.956 149 3HG2 VAL 131 3HG2 VAL 131 22.934 6.380 9.635 150 H CYS 132 H CYS 132 19.647 4.586 11.951 151 HA CYS 132 HA CYS 132 19.884 2.354 13.863 152 1HB CYS 132 2HB CYS 132 17.941 3.313 14.852 153 2HB CYS 132 1HB CYS 132 18.893 4.681 14.280 154 H SER 133 H SER 133 19.505 2.147 10.766 155 HA SER 133 HA SER 133 18.369 0.741 9.256 156 1HB SER 133 2HB SER 133 17.812 -1.491 10.534 157 2HB SER 133 1HB SER 133 19.485 -0.981 10.339 158 HG SER 133 HG SER 133 19.160 -1.476 12.484 159 H SER 134 H SER 134 16.605 2.653 10.875 160 HA SER 134 HA SER 134 14.116 1.172 11.291 161 1HB SER 134 2HB SER 134 15.022 4.043 11.304 162 2HB SER 134 1HB SER 134 13.308 3.651 11.418 163 HG SER 134 HG SER 134 14.130 2.124 13.146 164 H THR 135 H THR 135 12.193 2.744 10.045 165 HA THR 135 HA THR 135 12.896 3.066 7.201 166 HB THR 135 HB THR 135 10.744 1.079 7.902 167 HG1 THR 135 1HG THR 135 13.507 0.549 7.538 168 1HG2 THR 135 1HG2 THR 135 11.301 0.230 5.658 169 2HG2 THR 135 2HG2 THR 135 12.591 1.426 5.522 170 3HG2 THR 135 3HG2 THR 135 10.908 1.949 5.596 171 H PHE 136 H PHE 136 11.005 3.860 5.938 172 HA PHE 136 HA PHE 136 8.701 4.860 7.516 173 1HB PHE 136 2HB PHE 136 10.492 6.714 5.923 174 2HB PHE 136 1HB PHE 136 9.200 7.164 7.034 175 HD1 PHE 136 1HD PHE 136 9.467 6.819 9.483 176 HD2 PHE 136 2HD PHE 136 12.681 6.118 6.721 177 HE1 PHE 136 1HE PHE 136 11.088 6.848 11.361 178 HE2 PHE 136 2HE PHE 136 14.301 6.148 8.597 179 HZ PHE 136 HZ PHE 136 13.504 6.513 10.916 180 H THR 137 H THR 137 7.081 5.898 6.015 181 HA THR 137 HA THR 137 7.363 4.935 3.188 182 HB THR 137 HB THR 137 4.689 4.696 3.753 183 HG1 THR 137 1HG THR 137 5.092 3.406 5.877 184 1HG2 THR 137 1HG2 THR 137 5.345 2.725 2.882 185 2HG2 THR 137 2HG2 THR 137 5.783 2.238 4.520 186 3HG2 THR 137 3HG2 THR 137 6.997 2.952 3.457 187 H ASP 138 H ASP 138 4.990 5.918 2.186 188 HA ASP 138 HA ASP 138 5.484 8.660 1.716 189 1HB ASP 138 2HB ASP 138 3.064 8.593 0.939 190 2HB ASP 138 1HB ASP 138 4.091 7.320 0.278 191 H LEU 139 H LEU 139 3.189 7.161 4.025 192 HA LEU 139 HA LEU 139 2.054 9.534 5.074 193 1HB LEU 139 2HB LEU 139 1.564 8.077 7.024 194 2HB LEU 139 1HB LEU 139 1.272 7.231 5.503 195 HG LEU 139 HG LEU 139 4.032 6.918 6.325 196 1HD1 LEU 139 1HD1 LEU 139 3.749 5.727 8.380 197 2HD1 LEU 139 2HD1 LEU 139 1.992 5.761 8.236 198 3HD1 LEU 139 3HD1 LEU 139 2.877 7.247 8.583 199 1HD2 LEU 139 1HD2 LEU 139 1.676 5.242 5.555 200 2HD2 LEU 139 2HD2 LEU 139 3.025 4.443 6.364 201 3HD2 LEU 139 3HD2 LEU 139 3.290 5.300 4.846 202 H GLU 140 H GLU 140 5.241 8.230 5.424 203 HA GLU 140 HA GLU 140 5.817 10.066 7.719 204 1HB GLU 140 2HB GLU 140 7.447 7.772 6.578 205 2HB GLU 140 1HB GLU 140 7.691 8.576 8.129 206 1HG GLU 140 2HG GLU 140 5.156 7.845 8.502 207 2HG GLU 140 1HG GLU 140 5.591 6.607 7.323 208 H ALA 141 H ALA 141 6.288 9.602 4.344 209 HA ALA 141 HA ALA 141 8.847 10.838 3.966 210 1HB ALA 141 1HB ALA 141 8.279 10.636 1.725 211 2HB ALA 141 2HB ALA 141 6.615 11.156 1.997 212 3HB ALA 141 3HB ALA 141 7.108 9.517 2.425 213 H ASN 142 H ASN 142 5.621 12.160 4.491 214 HA ASN 142 HA ASN 142 6.447 14.900 3.760 215 1HB ASN 142 2HB ASN 142 3.924 13.835 5.074 216 2HB ASN 142 1HB ASN 142 4.109 15.393 4.268 217 1HD2 ASN 142 1HD2 ASN 142 2.124 13.661 3.313 218 2HD2 ASN 142 2HD2 ASN 142 2.588 13.032 1.806 219 H GLN 143 H GLN 143 6.426 12.856 6.517 220 HA GLN 143 HA GLN 143 6.521 15.134 8.426 221 1HB GLN 143 2HB GLN 143 5.204 13.557 9.427 222 2HB GLN 143 1HB GLN 143 5.829 12.265 8.406 223 1HG GLN 143 2HG GLN 143 7.570 11.772 9.859 224 2HG GLN 143 1HG GLN 143 7.604 13.400 10.537 225 1HE2 GLN 143 1HE2 GLN 143 4.618 11.505 10.141 226 2HE2 GLN 143 2HE2 GLN 143 4.317 11.316 11.801 227 H LEU 144 H LEU 144 8.600 13.100 6.628 228 HA LEU 144 HA LEU 144 10.873 13.632 8.511 229 1HB LEU 144 2HB LEU 144 10.556 11.559 6.314 230 2HB LEU 144 1HB LEU 144 11.886 11.654 7.470 231 HG LEU 144 HG LEU 144 8.984 11.299 8.265 232 1HD1 LEU 144 1HD1 LEU 144 9.940 9.371 6.943 233 2HD1 LEU 144 2HD1 LEU 144 9.480 8.958 8.595 234 3HD1 LEU 144 3HD1 LEU 144 11.178 9.210 8.188 235 1HD2 LEU 144 1HD2 LEU 144 9.898 10.792 10.451 236 2HD2 LEU 144 2HD2 LEU 144 10.576 12.332 9.923 237 3HD2 LEU 144 3HD2 LEU 144 11.546 10.863 9.828 238 H PHE 145 H PHE 145 9.583 14.238 5.341 239 HA PHE 145 HA PHE 145 12.069 14.878 4.001 240 1HB PHE 145 2HB PHE 145 9.997 14.266 2.842 241 2HB PHE 145 1HB PHE 145 9.183 15.680 3.512 242 HD1 PHE 145 1HD PHE 145 10.348 17.995 3.038 243 HD2 PHE 145 2HD PHE 145 11.029 14.419 0.755 244 HE1 PHE 145 1HE PHE 145 11.174 19.362 1.142 245 HE2 PHE 145 2HE PHE 145 11.855 15.787 -1.140 246 HZ PHE 145 HZ PHE 145 11.929 18.259 -0.947 247 H ASP 146 H ASP 146 13.290 16.689 4.287 248 HA ASP 146 HA ASP 146 11.987 19.105 5.504 249 1HB ASP 146 2HB ASP 146 14.889 18.279 5.752 250 2HB ASP 146 1HB ASP 146 13.995 19.415 6.763 251 HA PRO 147 HA PRO 147 13.338 21.072 1.783 252 1HB PRO 147 2HB PRO 147 12.963 23.662 2.576 253 2HB PRO 147 1HB PRO 147 11.623 22.583 2.139 254 1HG PRO 147 2HG PRO 147 12.608 23.386 4.827 255 2HG PRO 147 1HG PRO 147 10.952 23.114 4.265 256 1HD PRO 147 2HD PRO 147 12.377 21.310 5.752 257 2HD PRO 147 1HD PRO 147 11.052 20.866 4.654 258 H MET 148 H MET 148 14.908 21.202 4.783 259 HA MET 148 HA MET 148 16.921 23.207 4.247 260 1HB MET 148 2HB MET 148 17.999 22.155 6.202 261 2HB MET 148 1HB MET 148 16.268 22.351 6.483 262 1HG MET 148 2HG MET 148 15.832 20.053 6.107 263 2HG MET 148 1HG MET 148 17.399 19.796 5.341 264 1HE MET 148 1HE MET 148 15.589 20.993 8.452 265 2HE MET 148 2HE MET 148 16.988 22.059 8.553 266 3HE MET 148 3HE MET 148 16.751 20.812 9.774 267 H THR 149 H THR 149 16.382 20.130 2.907 268 HA THR 149 HA THR 149 19.089 20.149 1.690 269 HB THR 149 HB THR 149 19.349 18.819 3.707 270 HG1 THR 149 1HG THR 149 20.398 17.859 2.057 271 1HG2 THR 149 1HG2 THR 149 17.048 17.104 2.750 272 2HG2 THR 149 2HG2 THR 149 16.844 18.410 3.917 273 3HG2 THR 149 3HG2 THR 149 17.874 17.033 4.307 274 H GLY 150 H GLY 150 15.880 18.645 1.879 275 1HA GLY 150 2HA GLY 150 14.494 18.427 -0.124 276 2HA GLY 150 1HA GLY 150 15.972 18.298 -1.080 277 H THR 151 H THR 151 15.385 16.583 1.948 278 HA THR 151 HA THR 151 14.897 14.042 0.484 279 HB THR 151 HB THR 151 16.998 13.867 2.542 280 HG1 THR 151 1HG THR 151 18.523 14.960 1.419 281 1HG2 THR 151 1HG2 THR 151 17.491 12.056 1.306 282 2HG2 THR 151 2HG2 THR 151 17.697 13.041 -0.143 283 3HG2 THR 151 3HG2 THR 151 16.097 12.443 0.297 284 H PHE 152 H PHE 152 14.853 12.225 2.390 285 HA PHE 152 HA PHE 152 12.970 13.310 4.433 286 1HB PHE 152 2HB PHE 152 13.591 10.452 3.635 287 2HB PHE 152 1HB PHE 152 12.182 11.021 4.529 288 HD1 PHE 152 1HD PHE 152 10.297 11.982 3.411 289 HD2 PHE 152 2HD PHE 152 13.891 11.101 1.230 290 HE1 PHE 152 1HE PHE 152 9.103 12.391 1.278 291 HE2 PHE 152 2HE PHE 152 12.695 11.510 -0.903 292 HZ PHE 152 HZ PHE 152 10.302 12.156 -0.879 293 H ARG 153 H ARG 153 13.558 13.331 6.585 294 HA ARG 153 HA ARG 153 16.202 12.117 7.288 295 1HB ARG 153 2HB ARG 153 14.603 14.501 8.142 296 2HB ARG 153 1HB ARG 153 15.718 13.782 9.307 297 1HG ARG 153 2HG ARG 153 17.511 13.913 7.524 298 2HG ARG 153 1HG ARG 153 16.385 14.867 6.558 299 1HD ARG 153 2HD ARG 153 16.527 16.706 7.961 300 2HD ARG 153 1HD ARG 153 16.855 15.712 9.396 301 HE ARG 153 HE ARG 153 19.034 15.269 7.710 302 1HH1 ARG 153 1HH2 ARG 153 18.668 16.903 10.418 303 2HH1 ARG 153 2HH2 ARG 153 19.588 18.310 10.005 304 1HH2 ARG 153 1HH1 ARG 153 19.722 17.553 6.623 305 2HH2 ARG 153 2HH1 ARG 153 20.187 18.677 7.856 306 H CYS 154 H CYS 154 16.327 10.647 8.966 307 HA CYS 154 HA CYS 154 14.249 8.971 9.747 308 1HB CYS 154 2HB CYS 154 16.781 8.885 10.139 309 2HB CYS 154 1HB CYS 154 16.493 9.912 11.542 310 H THR 155 H THR 155 13.373 8.871 12.152 311 HA THR 155 HA THR 155 12.480 11.633 12.915 312 HB THR 155 HB THR 155 10.775 9.477 13.842 313 HG1 THR 155 1HG THR 155 10.315 8.515 11.972 314 1HG2 THR 155 1HG2 THR 155 9.212 10.822 12.214 315 2HG2 THR 155 2HG2 THR 155 10.567 11.950 12.153 316 3HG2 THR 155 3HG2 THR 155 9.792 11.586 13.695 317 H PHE 156 H PHE 156 14.056 8.746 13.997 318 HA PHE 156 HA PHE 156 13.832 9.695 16.818 319 1HB PHE 156 2HB PHE 156 14.832 7.081 16.816 320 2HB PHE 156 1HB PHE 156 13.203 7.581 17.241 321 HD1 PHE 156 1HD PHE 156 15.321 6.674 14.294 322 HD2 PHE 156 2HD PHE 156 11.372 6.858 15.968 323 HE1 PHE 156 1HE PHE 156 14.428 5.476 12.323 324 HE2 PHE 156 2HE PHE 156 10.478 5.652 13.994 325 HZ PHE 156 HZ PHE 156 12.007 4.959 12.170 326 H CYS 157 H CYS 157 16.055 8.481 14.346 327 HA CYS 157 HA CYS 157 18.309 9.437 16.064 328 1HB CYS 157 2HB CYS 157 19.400 7.511 15.536 329 2HB CYS 157 1HB CYS 157 17.804 6.930 15.090 330 H HIS 158 H HIS 158 16.484 10.739 13.959 331 HA HIS 158 HA HIS 158 16.669 12.128 12.036 332 1HB HIS 158 2HB HIS 158 18.680 12.853 14.145 333 2HB HIS 158 1HB HIS 158 18.522 13.847 12.695 334 HD1 HIS 158 1HD HIS 158 16.389 15.248 12.428 335 HD2 HIS 158 2HD HIS 158 16.337 12.828 15.822 336 HE1 HIS 158 1HE HIS 158 14.389 15.979 13.798 337 H THR 159 H THR 159 18.269 9.609 11.567 338 HA THR 159 HA THR 159 20.695 10.639 10.204 339 HB THR 159 HB THR 159 19.455 7.939 10.742 340 HG1 THR 159 1HG THR 159 20.786 9.139 12.286 341 1HG2 THR 159 1HG2 THR 159 22.043 8.313 9.238 342 2HG2 THR 159 2HG2 THR 159 20.510 8.147 8.387 343 3HG2 THR 159 3HG2 THR 159 21.087 6.846 9.420 344 H GLU 160 H GLU 160 20.699 11.101 8.019 345 HA GLU 160 HA GLU 160 18.461 11.409 6.405 346 1HB GLU 160 2HB GLU 160 21.086 11.827 6.138 347 2HB GLU 160 1HB GLU 160 20.981 10.347 5.185 348 1HG GLU 160 2HG GLU 160 20.594 12.019 3.583 349 2HG GLU 160 1HG GLU 160 18.960 11.521 4.026 350 H VAL 161 H VAL 161 17.078 10.010 5.344 351 HA VAL 161 HA VAL 161 17.707 7.089 5.482 352 HB VAL 161 HB VAL 161 15.263 6.853 5.283 353 1HG1 VAL 161 1HG1 VAL 161 14.726 7.638 7.429 354 2HG1 VAL 161 2HG1 VAL 161 15.708 9.092 7.246 355 3HG1 VAL 161 3HG1 VAL 161 16.485 7.527 7.488 356 1HG2 VAL 161 1HG2 VAL 161 13.940 8.503 4.475 357 2HG2 VAL 161 2HG2 VAL 161 15.431 9.315 4.003 358 3HG2 VAL 161 3HG2 VAL 161 14.663 9.706 5.542 359 H GLU 162 H GLU 162 17.169 5.781 3.575 360 HA GLU 162 HA GLU 162 17.198 7.343 1.010 361 1HB GLU 162 2HB GLU 162 18.648 4.806 1.832 362 2HB GLU 162 1HB GLU 162 18.619 5.426 0.181 363 1HG GLU 162 2HG GLU 162 19.511 7.623 1.141 364 2HG GLU 162 1HG GLU 162 19.818 6.729 2.630 365 H GLU 163 H GLU 163 16.059 6.310 -0.762 366 HA GLU 163 HA GLU 163 13.595 5.063 -0.132 367 1HB GLU 163 2HB GLU 163 14.596 6.241 -2.276 368 2HB GLU 163 1HB GLU 163 15.014 4.590 -2.737 369 1HG GLU 163 2HG GLU 163 12.486 4.138 -2.012 370 2HG GLU 163 1HG GLU 163 12.321 5.846 -2.421 371 H ASP 164 H ASP 164 13.211 3.006 0.578 372 HA ASP 164 HA ASP 164 15.319 0.970 0.528 373 1HB ASP 164 2HB ASP 164 13.731 1.357 2.412 374 2HB ASP 164 1HB ASP 164 12.400 0.865 1.363 375 H GLU 165 H GLU 165 15.630 -0.330 -1.228 376 HA GLU 165 HA GLU 165 13.629 -0.525 -3.360 377 1HB GLU 165 2HB GLU 165 16.087 -0.376 -3.714 378 2HB GLU 165 1HB GLU 165 16.281 -1.931 -2.902 379 1HG GLU 165 2HG GLU 165 14.262 -2.093 -4.984 380 2HG GLU 165 1HG GLU 165 15.800 -1.523 -5.636 381 H SER 166 H SER 166 14.256 -2.217 -0.456 382 HA SER 166 HA SER 166 13.021 -4.735 -1.478 383 1HB SER 166 2HB SER 166 14.866 -3.909 0.686 384 2HB SER 166 1HB SER 166 13.723 -5.176 1.125 385 HG SER 166 HG SER 166 15.923 -5.317 -0.414 386 H ALA 167 H ALA 167 12.827 -3.011 1.650 387 HA ALA 167 HA ALA 167 10.950 -2.509 2.997 388 1HB ALA 167 1HB ALA 167 9.782 -1.073 1.705 389 2HB ALA 167 2HB ALA 167 8.938 -2.437 0.971 390 3HB ALA 167 3HB ALA 167 10.435 -1.838 0.257 391 H MET 168 H MET 168 11.080 -4.791 3.812 392 HA MET 168 HA MET 168 8.876 -6.525 2.744 393 1HB MET 168 2HB MET 168 11.501 -7.078 4.151 394 2HB MET 168 1HB MET 168 10.271 -8.322 3.918 395 1HG MET 168 2HG MET 168 10.689 -8.497 1.684 396 2HG MET 168 1HG MET 168 10.950 -6.763 1.497 397 1HE MET 168 1HE MET 168 12.661 -10.227 2.586 398 2HE MET 168 2HE MET 168 12.275 -9.234 3.988 399 3HE MET 168 3HE MET 168 13.960 -9.533 3.567 400 HA PRO 169 HA PRO 169 7.266 -5.323 6.804 401 1HB PRO 169 2HB PRO 169 4.656 -5.840 6.177 402 2HB PRO 169 1HB PRO 169 5.472 -4.329 5.729 403 1HG PRO 169 2HG PRO 169 4.856 -6.711 4.066 404 2HG PRO 169 1HG PRO 169 4.852 -4.995 3.630 405 1HD PRO 169 2HD PRO 169 6.868 -6.755 2.996 406 2HD PRO 169 1HD PRO 169 7.071 -4.995 3.119 407 H LYS 170 H LYS 170 6.077 -6.639 8.449 408 HA LYS 170 HA LYS 170 6.940 -9.331 8.624 409 1HB LYS 170 2HB LYS 170 4.731 -7.710 9.904 410 2HB LYS 170 1HB LYS 170 5.049 -9.377 10.387 411 1HG LYS 170 2HG LYS 170 7.466 -8.700 10.754 412 2HG LYS 170 1HG LYS 170 6.953 -7.028 10.529 413 1HD LYS 170 2HD LYS 170 5.239 -8.477 12.404 414 2HD LYS 170 1HD LYS 170 6.921 -8.417 12.932 415 1HE LYS 170 2HE LYS 170 6.904 -6.121 13.182 416 2HE LYS 170 1HE LYS 170 5.730 -5.885 11.871 417 1HZ LYS 170 1HZ LYS 170 5.253 -6.751 14.649 418 2HZ LYS 170 2HZ LYS 170 4.179 -7.224 13.420 419 3HZ LYS 170 3HZ LYS 170 4.433 -5.575 13.743 420 H LYS 171 H LYS 171 5.309 -11.231 8.825 421 HA LYS 171 HA LYS 171 3.288 -11.073 6.611 422 1HB LYS 171 2HB LYS 171 5.204 -12.284 5.828 423 2HB LYS 171 1HB LYS 171 5.336 -13.180 7.342 424 1HG LYS 171 2HG LYS 171 3.954 -14.767 6.553 425 2HG LYS 171 1HG LYS 171 2.700 -13.560 6.270 426 1HD LYS 171 2HD LYS 171 5.005 -13.960 4.355 427 2HD LYS 171 1HD LYS 171 3.499 -14.867 4.214 428 1HE LYS 171 2HE LYS 171 2.216 -12.854 3.882 429 2HE LYS 171 1HE LYS 171 3.605 -11.834 4.310 430 1HZ LYS 171 1HZ LYS 171 4.798 -12.575 2.428 431 2HZ LYS 171 2HZ LYS 171 3.248 -12.173 1.860 432 3HZ LYS 171 3HZ LYS 171 3.674 -13.801 2.092 433 H ASP 172 H ASP 172 1.279 -11.941 7.118 434 HA ASP 172 HA ASP 172 0.974 -13.131 9.850 435 1HB ASP 172 2HB ASP 172 -1.121 -11.889 8.045 436 2HB ASP 172 1HB ASP 172 -1.246 -12.196 9.777 437 H ALA 173 H ALA 173 0.469 -15.290 9.907 438 HA ALA 173 HA ALA 173 -1.267 -16.478 7.839 439 1HB ALA 173 1HB ALA 173 0.492 -17.145 6.582 440 2HB ALA 173 2HB ALA 173 0.953 -18.204 7.914 441 3HB ALA 173 3HB ALA 173 1.636 -16.582 7.800 442 H ARG 174 H ARG 174 0.985 -17.225 10.527 443 HA ARG 174 HA ARG 174 -1.103 -18.457 12.120 444 1HB ARG 174 2HB ARG 174 -0.713 -20.084 10.221 445 2HB ARG 174 1HB ARG 174 0.933 -20.292 10.820 446 1HG ARG 174 2HG ARG 174 0.236 -21.365 12.765 447 2HG ARG 174 1HG ARG 174 -1.364 -20.624 12.721 448 1HD ARG 174 2HD ARG 174 -0.409 -22.672 10.690 449 2HD ARG 174 1HD ARG 174 -1.398 -23.068 12.110 450 HE ARG 174 HE ARG 174 -2.775 -20.973 10.966 451 1HH1 ARG 174 1HH2 ARG 174 -3.663 -23.901 10.922 452 2HH1 ARG 174 2HH2 ARG 174 -3.928 -24.138 9.227 453 1HH2 ARG 174 1HH1 ARG 174 -2.181 -21.295 8.285 454 2HH2 ARG 174 2HH1 ARG 174 -3.090 -22.663 7.734 Start of MODEL 10 1 1H ARG 113 1HT ARG 113 10.547 -8.227 -16.929 2 2H ARG 113 2HT ARG 113 10.783 -9.107 -15.495 3 3H ARG 113 3HT ARG 113 9.566 -7.924 -15.579 4 HA ARG 113 HA ARG 113 8.126 -9.258 -16.712 5 1HB ARG 113 2HB ARG 113 10.724 -10.274 -17.868 6 2HB ARG 113 1HB ARG 113 9.199 -11.094 -18.206 7 1HG ARG 113 2HG ARG 113 8.349 -9.313 -19.420 8 2HG ARG 113 1HG ARG 113 9.325 -8.124 -18.557 9 1HD ARG 113 2HD ARG 113 11.091 -8.360 -19.991 10 2HD ARG 113 1HD ARG 113 10.876 -10.118 -20.110 11 HE ARG 113 HE ARG 113 9.078 -8.181 -21.522 12 1HH1 ARG 113 1HH1 ARG 113 8.424 -11.160 -21.292 13 2HH1 ARG 113 2HH1 ARG 113 8.991 -11.740 -22.822 14 1HH2 ARG 113 1HH2 ARG 113 10.863 -8.902 -23.503 15 2HH2 ARG 113 2HH2 ARG 113 10.375 -10.463 -24.073 16 H ILE 114 H ILE 114 10.905 -11.418 -16.042 17 HA ILE 114 HA ILE 114 9.345 -12.664 -13.819 18 HB ILE 114 HB ILE 114 10.120 -14.893 -14.889 19 1HG1 ILE 114 2HG1 ILE 114 10.432 -12.986 -17.232 20 2HG1 ILE 114 1HG1 ILE 114 11.720 -13.928 -16.479 21 1HG2 ILE 114 1HG2 ILE 114 8.073 -13.137 -16.277 22 2HG2 ILE 114 2HG2 ILE 114 7.780 -14.163 -14.873 23 3HG2 ILE 114 3HG2 ILE 114 8.170 -14.891 -16.432 24 1HD1 ILE 114 1HD1 ILE 114 9.386 -15.520 -17.322 25 2HD1 ILE 114 2HD1 ILE 114 11.106 -15.842 -17.539 26 3HD1 ILE 114 3HD1 ILE 114 10.265 -14.760 -18.648 27 H GLU 115 H GLU 115 11.266 -11.158 -12.945 28 HA GLU 115 HA GLU 115 13.845 -12.658 -12.917 29 1HB GLU 115 2HB GLU 115 13.180 -9.999 -13.218 30 2HB GLU 115 1HB GLU 115 13.614 -10.080 -11.510 31 1HG GLU 115 2HG GLU 115 15.654 -11.504 -12.466 32 2HG GLU 115 1HG GLU 115 15.310 -10.569 -13.921 33 H THR 116 H THR 116 11.760 -10.916 -10.565 34 HA THR 116 HA THR 116 12.542 -12.979 -8.527 35 HB THR 116 HB THR 116 12.028 -10.003 -8.212 36 HG1 THR 116 1HG THR 116 14.147 -9.805 -8.199 37 1HG2 THR 116 1HG2 THR 116 12.627 -10.291 -5.900 38 2HG2 THR 116 2HG2 THR 116 13.061 -11.979 -6.167 39 3HG2 THR 116 3HG2 THR 116 11.373 -11.476 -6.264 40 H ASP 117 H ASP 117 10.197 -10.301 -8.409 41 HA ASP 117 HA ASP 117 8.034 -12.338 -7.975 42 1HB ASP 117 2HB ASP 117 7.095 -10.721 -6.392 43 2HB ASP 117 1HB ASP 117 8.781 -11.033 -5.975 44 H GLU 118 H GLU 118 5.789 -11.142 -8.321 45 HA GLU 118 HA GLU 118 5.982 -9.558 -10.866 46 1HB GLU 118 2HB GLU 118 4.686 -12.038 -10.141 47 2HB GLU 118 1HB GLU 118 3.476 -10.861 -10.650 48 1HG GLU 118 2HG GLU 118 4.271 -12.086 -12.604 49 2HG GLU 118 1HG GLU 118 4.827 -10.415 -12.700 50 H ARG 119 H ARG 119 4.522 -7.801 -11.076 51 HA ARG 119 HA ARG 119 2.401 -7.255 -9.179 52 1HB ARG 119 2HB ARG 119 4.647 -6.954 -7.932 53 2HB ARG 119 1HB ARG 119 4.855 -5.510 -8.926 54 1HG ARG 119 2HG ARG 119 3.741 -4.532 -7.174 55 2HG ARG 119 1HG ARG 119 2.334 -5.083 -8.082 56 1HD ARG 119 2HD ARG 119 2.134 -5.758 -5.714 57 2HD ARG 119 1HD ARG 119 2.343 -7.197 -6.733 58 HE ARG 119 HE ARG 119 4.864 -6.041 -5.792 59 1HH1 ARG 119 1HH1 ARG 119 2.206 -7.616 -4.406 60 2HH1 ARG 119 2HH1 ARG 119 3.131 -8.890 -3.684 61 1HH2 ARG 119 1HH2 ARG 119 6.105 -7.946 -5.197 62 2HH2 ARG 119 2HH2 ARG 119 5.340 -9.076 -4.130 63 H ASP 120 H ASP 120 1.333 -5.195 -9.688 64 HA ASP 120 HA ASP 120 1.908 -4.299 -12.472 65 1HB ASP 120 2HB ASP 120 -0.385 -3.579 -12.440 66 2HB ASP 120 1HB ASP 120 -0.350 -5.149 -11.638 67 H SER 121 H SER 121 3.620 -3.377 -10.274 68 HA SER 121 HA SER 121 4.516 -1.351 -9.447 69 1HB SER 121 2HB SER 121 3.021 -0.630 -11.965 70 2HB SER 121 1HB SER 121 3.863 0.610 -11.040 71 HG SER 121 HG SER 121 5.576 -0.072 -12.039 72 H THR 122 H THR 122 2.793 -1.862 -7.648 73 HA THR 122 HA THR 122 1.019 0.537 -7.400 74 HB THR 122 HB THR 122 -0.359 -1.331 -8.099 75 HG1 THR 122 1HG THR 122 -0.667 -1.380 -5.313 76 1HG2 THR 122 1HG2 THR 122 1.001 -2.849 -5.857 77 2HG2 THR 122 2HG2 THR 122 1.201 -3.140 -7.585 78 3HG2 THR 122 3HG2 THR 122 -0.351 -3.457 -6.810 79 H ASN 123 H ASN 123 3.697 -0.626 -6.229 80 HA ASN 123 HA ASN 123 3.118 -1.002 -3.390 81 1HB ASN 123 2HB ASN 123 5.158 -1.585 -5.159 82 2HB ASN 123 1HB ASN 123 5.844 -0.263 -4.216 83 1HD2 ASN 123 1HD2 ASN 123 5.484 -0.555 -1.711 84 2HD2 ASN 123 2HD2 ASN 123 5.684 -2.129 -1.109 85 H ARG 124 H ARG 124 3.005 0.606 -1.854 86 HA ARG 124 HA ARG 124 2.929 3.386 -2.576 87 1HB ARG 124 2HB ARG 124 2.744 1.663 -0.177 88 2HB ARG 124 1HB ARG 124 3.266 3.317 0.141 89 1HG ARG 124 2HG ARG 124 1.269 4.236 -0.579 90 2HG ARG 124 1HG ARG 124 0.939 2.908 -1.693 91 1HD ARG 124 2HD ARG 124 1.020 2.163 1.184 92 2HD ARG 124 1HD ARG 124 -0.350 3.173 0.680 93 HE ARG 124 HE ARG 124 0.126 1.068 -1.238 94 1HH1 ARG 124 1HH1 ARG 124 -0.795 1.395 2.047 95 2HH1 ARG 124 2HH1 ARG 124 -2.107 0.269 1.939 96 1HH2 ARG 124 1HH2 ARG 124 -1.747 -0.227 -1.474 97 2HH2 ARG 124 2HH2 ARG 124 -2.648 -0.648 -0.056 98 H ALA 125 H ALA 125 4.384 4.865 -0.900 99 HA ALA 125 HA ALA 125 7.136 4.538 -1.863 100 1HB ALA 125 1HB ALA 125 5.500 6.638 -1.306 101 2HB ALA 125 2HB ALA 125 7.258 6.772 -1.353 102 3HB ALA 125 3HB ALA 125 6.430 6.563 0.191 103 H SER 126 H SER 126 8.969 4.202 -0.505 104 HA SER 126 HA SER 126 8.526 3.629 2.369 105 1HB SER 126 2HB SER 126 9.998 1.475 1.057 106 2HB SER 126 1HB SER 126 8.623 1.377 2.152 107 HG SER 126 HG SER 126 8.397 0.694 -0.180 108 H PHE 127 H PHE 127 10.327 4.227 3.516 109 HA PHE 127 HA PHE 127 12.907 4.543 2.019 110 1HB PHE 127 2HB PHE 127 11.819 6.325 4.218 111 2HB PHE 127 1HB PHE 127 13.207 6.642 3.176 112 HD1 PHE 127 1HD PHE 127 9.514 6.361 3.281 113 HD2 PHE 127 2HD PHE 127 12.934 7.447 0.921 114 HE1 PHE 127 1HE PHE 127 8.022 7.423 1.609 115 HE2 PHE 127 2HE PHE 127 11.442 8.509 -0.751 116 HZ PHE 127 HZ PHE 127 8.987 8.497 -0.407 117 H LYS 128 H LYS 128 14.797 4.076 3.269 118 HA LYS 128 HA LYS 128 14.289 2.832 5.936 119 1HB LYS 128 2HB LYS 128 14.654 1.029 4.470 120 2HB LYS 128 1HB LYS 128 15.845 1.923 3.527 121 1HG LYS 128 2HG LYS 128 17.550 1.339 4.911 122 2HG LYS 128 1HG LYS 128 16.577 1.596 6.359 123 1HD LYS 128 2HD LYS 128 15.374 -0.620 5.281 124 2HD LYS 128 1HD LYS 128 17.061 -0.883 4.840 125 1HE LYS 128 2HE LYS 128 16.381 -0.037 7.651 126 2HE LYS 128 1HE LYS 128 16.239 -1.742 7.175 127 1HZ LYS 128 1HZ LYS 128 18.459 -1.872 6.621 128 2HZ LYS 128 2HZ LYS 128 18.518 -0.851 7.979 129 3HZ LYS 128 3HZ LYS 128 18.627 -0.197 6.414 130 H CYS 129 H CYS 129 15.853 3.265 7.521 131 HA CYS 129 HA CYS 129 17.692 5.509 6.939 132 1HB CYS 129 2HB CYS 129 16.114 5.540 8.850 133 2HB CYS 129 1HB CYS 129 16.879 4.090 9.493 134 HA PRO 130 HA PRO 130 21.048 2.607 6.740 135 1HB PRO 130 2HB PRO 130 23.058 4.447 6.526 136 2HB PRO 130 1HB PRO 130 21.985 4.023 5.178 137 1HG PRO 130 2HG PRO 130 21.955 6.407 6.941 138 2HG PRO 130 1HG PRO 130 21.544 6.262 5.227 139 1HD PRO 130 2HD PRO 130 19.708 6.421 7.282 140 2HD PRO 130 1HD PRO 130 19.375 5.754 5.671 141 H VAL 131 H VAL 131 20.720 5.128 9.155 142 HA VAL 131 HA VAL 131 23.017 4.186 10.728 143 HB VAL 131 HB VAL 131 20.895 6.305 10.979 144 1HG1 VAL 131 1HG1 VAL 131 22.846 5.378 13.103 145 2HG1 VAL 131 2HG1 VAL 131 21.092 5.502 13.240 146 3HG1 VAL 131 3HG1 VAL 131 22.074 6.963 13.129 147 1HG2 VAL 131 1HG2 VAL 131 23.932 6.334 10.941 148 2HG2 VAL 131 2HG2 VAL 131 22.901 7.763 11.026 149 3HG2 VAL 131 3HG2 VAL 131 22.882 6.745 9.585 150 H CYS 132 H CYS 132 19.670 4.726 11.845 151 HA CYS 132 HA CYS 132 19.961 2.457 13.694 152 1HB CYS 132 2HB CYS 132 18.001 3.352 14.709 153 2HB CYS 132 1HB CYS 132 18.921 4.749 14.159 154 H SER 133 H SER 133 19.574 2.269 10.596 155 HA SER 133 HA SER 133 18.436 0.865 9.076 156 1HB SER 133 2HB SER 133 17.954 -1.397 10.394 157 2HB SER 133 1HB SER 133 19.596 -0.871 10.043 158 HG SER 133 HG SER 133 18.113 -0.597 12.440 159 H SER 134 H SER 134 16.635 2.702 10.692 160 HA SER 134 HA SER 134 14.212 1.139 11.195 161 1HB SER 134 2HB SER 134 15.084 4.005 11.221 162 2HB SER 134 1HB SER 134 13.358 3.652 11.217 163 HG SER 134 HG SER 134 15.051 2.274 12.980 164 H THR 135 H THR 135 12.253 2.776 9.962 165 HA THR 135 HA THR 135 12.871 2.983 7.095 166 HB THR 135 HB THR 135 10.741 1.019 7.909 167 HG1 THR 135 1HG THR 135 12.219 -0.318 8.516 168 1HG2 THR 135 1HG2 THR 135 10.796 1.783 5.584 169 2HG2 THR 135 2HG2 THR 135 11.294 0.094 5.671 170 3HG2 THR 135 3HG2 THR 135 12.504 1.361 5.468 171 H PHE 136 H PHE 136 10.936 3.719 5.854 172 HA PHE 136 HA PHE 136 8.683 4.786 7.461 173 1HB PHE 136 2HB PHE 136 10.427 6.561 5.732 174 2HB PHE 136 1HB PHE 136 9.162 7.065 6.852 175 HD1 PHE 136 1HD PHE 136 12.637 6.012 6.501 176 HD2 PHE 136 2HD PHE 136 9.491 6.826 9.312 177 HE1 PHE 136 1HE PHE 136 14.304 6.128 8.335 178 HE2 PHE 136 2HE PHE 136 11.156 6.942 11.144 179 HZ PHE 136 HZ PHE 136 13.563 6.593 10.656 180 H THR 137 H THR 137 7.049 5.826 5.938 181 HA THR 137 HA THR 137 7.226 4.723 3.156 182 HB THR 137 HB THR 137 4.559 4.541 3.869 183 HG1 THR 137 1HG THR 137 5.874 3.377 6.025 184 1HG2 THR 137 1HG2 THR 137 6.061 2.138 4.561 185 2HG2 THR 137 2HG2 THR 137 6.621 2.863 3.055 186 3HG2 THR 137 3HG2 THR 137 4.928 2.408 3.238 187 H ASP 138 H ASP 138 4.925 5.665 2.102 188 HA ASP 138 HA ASP 138 5.355 8.385 1.552 189 1HB ASP 138 2HB ASP 138 2.876 8.253 0.877 190 2HB ASP 138 1HB ASP 138 3.952 7.054 0.158 191 H LEU 139 H LEU 139 3.284 6.925 4.068 192 HA LEU 139 HA LEU 139 2.067 9.326 5.007 193 1HB LEU 139 2HB LEU 139 1.525 7.975 6.934 194 2HB LEU 139 1HB LEU 139 1.508 6.906 5.533 195 HG LEU 139 HG LEU 139 4.171 6.892 6.420 196 1HD1 LEU 139 1HD1 LEU 139 4.143 6.555 8.749 197 2HD1 LEU 139 2HD1 LEU 139 2.397 6.314 8.785 198 3HD1 LEU 139 3HD1 LEU 139 3.059 7.929 8.532 199 1HD2 LEU 139 1HD2 LEU 139 1.832 4.997 6.621 200 2HD2 LEU 139 2HD2 LEU 139 3.415 4.547 7.253 201 3HD2 LEU 139 3HD2 LEU 139 3.224 4.917 5.540 202 H GLU 140 H GLU 140 5.286 8.046 5.414 203 HA GLU 140 HA GLU 140 5.895 10.033 7.557 204 1HB GLU 140 2HB GLU 140 7.384 7.649 6.408 205 2HB GLU 140 1HB GLU 140 7.990 8.660 7.720 206 1HG GLU 140 2HG GLU 140 5.389 8.003 8.503 207 2HG GLU 140 1HG GLU 140 6.025 6.512 7.809 208 H ALA 141 H ALA 141 6.104 9.596 4.191 209 HA ALA 141 HA ALA 141 8.609 10.987 3.697 210 1HB ALA 141 1HB ALA 141 6.334 10.824 1.745 211 2HB ALA 141 2HB ALA 141 7.099 9.328 2.278 212 3HB ALA 141 3HB ALA 141 8.056 10.568 1.467 213 H ASN 142 H ASN 142 5.256 11.932 4.167 214 HA ASN 142 HA ASN 142 5.744 14.692 3.219 215 1HB ASN 142 2HB ASN 142 3.319 14.907 3.824 216 2HB ASN 142 1HB ASN 142 3.633 13.569 2.720 217 1HD2 ASN 142 1HD2 ASN 142 1.397 13.834 4.709 218 2HD2 ASN 142 2HD2 ASN 142 1.535 12.485 5.731 219 H GLN 143 H GLN 143 6.525 13.062 5.974 220 HA GLN 143 HA GLN 143 6.109 15.491 7.688 221 1HB GLN 143 2HB GLN 143 5.637 14.025 9.512 222 2HB GLN 143 1HB GLN 143 4.745 13.355 8.146 223 1HG GLN 143 2HG GLN 143 6.661 11.806 7.713 224 2HG GLN 143 1HG GLN 143 7.437 12.415 9.174 225 1HE2 GLN 143 1HE2 GLN 143 3.961 11.674 8.610 226 2HE2 GLN 143 2HE2 GLN 143 3.850 10.521 9.851 227 H LEU 144 H LEU 144 8.285 12.968 6.591 228 HA LEU 144 HA LEU 144 10.417 13.819 8.475 229 1HB LEU 144 2HB LEU 144 10.224 11.680 6.329 230 2HB LEU 144 1HB LEU 144 11.592 11.878 7.426 231 HG LEU 144 HG LEU 144 8.728 11.337 8.267 232 1HD1 LEU 144 1HD1 LEU 144 9.850 9.392 7.214 233 2HD1 LEU 144 2HD1 LEU 144 9.591 9.135 8.939 234 3HD1 LEU 144 3HD1 LEU 144 11.193 9.569 8.344 235 1HD2 LEU 144 1HD2 LEU 144 10.707 10.841 10.286 236 2HD2 LEU 144 2HD2 LEU 144 9.370 11.990 10.325 237 3HD2 LEU 144 3HD2 LEU 144 10.932 12.478 9.668 238 H PHE 145 H PHE 145 9.407 14.266 5.175 239 HA PHE 145 HA PHE 145 11.847 14.894 3.885 240 1HB PHE 145 2HB PHE 145 9.474 14.628 2.976 241 2HB PHE 145 1HB PHE 145 9.189 16.289 3.494 242 HD1 PHE 145 1HD PHE 145 11.910 14.388 1.728 243 HD2 PHE 145 2HD PHE 145 9.435 17.897 1.836 244 HE1 PHE 145 1HE PHE 145 12.999 15.219 -0.339 245 HE2 PHE 145 2HE PHE 145 10.524 18.729 -0.232 246 HZ PHE 145 HZ PHE 145 12.306 17.389 -1.319 247 H ASP 146 H ASP 146 13.070 16.793 3.755 248 HA ASP 146 HA ASP 146 12.165 19.175 5.311 249 1HB ASP 146 2HB ASP 146 14.542 17.394 5.742 250 2HB ASP 146 1HB ASP 146 14.705 19.116 6.091 251 HA PRO 147 HA PRO 147 13.782 20.934 1.553 252 1HB PRO 147 2HB PRO 147 13.308 23.549 2.205 253 2HB PRO 147 1HB PRO 147 12.031 22.439 1.666 254 1HG PRO 147 2HG PRO 147 12.716 23.342 4.416 255 2HG PRO 147 1HG PRO 147 11.132 23.043 3.687 256 1HD PRO 147 2HD PRO 147 12.380 21.295 5.380 257 2HD PRO 147 1HD PRO 147 11.200 20.804 4.145 258 H MET 148 H MET 148 15.135 21.002 4.602 259 HA MET 148 HA MET 148 17.161 23.072 4.172 260 1HB MET 148 2HB MET 148 17.935 22.336 6.336 261 2HB MET 148 1HB MET 148 16.172 22.284 6.376 262 1HG MET 148 2HG MET 148 16.450 19.818 5.603 263 2HG MET 148 1HG MET 148 18.116 19.993 6.153 264 1HE MET 148 1HE MET 148 18.703 21.163 8.233 265 2HE MET 148 2HE MET 148 17.909 20.927 9.789 266 3HE MET 148 3HE MET 148 17.383 22.231 8.727 267 H THR 149 H THR 149 16.877 19.603 3.634 268 HA THR 149 HA THR 149 19.703 19.594 2.623 269 HB THR 149 HB THR 149 19.400 18.296 4.683 270 HG1 THR 149 1HG THR 149 20.596 16.803 3.851 271 1HG2 THR 149 1HG2 THR 149 17.075 17.189 3.138 272 2HG2 THR 149 2HG2 THR 149 17.133 17.757 4.807 273 3HG2 THR 149 3HG2 THR 149 17.851 16.204 4.378 274 H GLY 150 H GLY 150 16.357 18.672 2.069 275 1HA GLY 150 2HA GLY 150 15.410 18.437 -0.133 276 2HA GLY 150 1HA GLY 150 17.028 18.146 -0.770 277 H THR 151 H THR 151 15.703 16.520 2.067 278 HA THR 151 HA THR 151 15.042 14.078 0.563 279 HB THR 151 HB THR 151 17.137 13.584 2.578 280 HG1 THR 151 1HG THR 151 18.392 15.098 1.867 281 1HG2 THR 151 1HG2 THR 151 16.363 11.821 1.113 282 2HG2 THR 151 2HG2 THR 151 18.026 12.209 0.673 283 3HG2 THR 151 3HG2 THR 151 16.690 12.803 -0.314 284 H PHE 152 H PHE 152 14.727 12.228 2.366 285 HA PHE 152 HA PHE 152 12.984 13.434 4.441 286 1HB PHE 152 2HB PHE 152 13.478 10.548 3.637 287 2HB PHE 152 1HB PHE 152 12.137 11.145 4.614 288 HD1 PHE 152 1HD PHE 152 13.629 11.115 1.229 289 HD2 PHE 152 2HD PHE 152 10.255 12.283 3.617 290 HE1 PHE 152 1HE PHE 152 12.332 11.584 -0.833 291 HE2 PHE 152 2HE PHE 152 8.958 12.752 1.556 292 HZ PHE 152 HZ PHE 152 9.997 12.403 -0.670 293 H ARG 153 H ARG 153 13.664 13.592 6.544 294 HA ARG 153 HA ARG 153 16.230 12.284 7.299 295 1HB ARG 153 2HB ARG 153 14.612 14.653 8.129 296 2HB ARG 153 1HB ARG 153 15.654 13.915 9.347 297 1HG ARG 153 2HG ARG 153 17.255 14.015 7.065 298 2HG ARG 153 1HG ARG 153 16.380 15.546 7.039 299 1HD ARG 153 2HD ARG 153 17.198 16.175 9.190 300 2HD ARG 153 1HD ARG 153 17.756 14.526 9.541 301 HE ARG 153 HE ARG 153 18.956 15.602 7.118 302 1HH1 ARG 153 1HH1 ARG 153 19.052 16.781 10.238 303 2HH1 ARG 153 2HH1 ARG 153 20.753 16.555 10.471 304 1HH2 ARG 153 1HH2 ARG 153 21.184 14.747 7.544 305 2HH2 ARG 153 2HH2 ARG 153 21.960 15.402 8.946 306 H CYS 154 H CYS 154 16.337 10.772 8.944 307 HA CYS 154 HA CYS 154 14.263 9.054 9.625 308 1HB CYS 154 2HB CYS 154 16.778 8.974 10.073 309 2HB CYS 154 1HB CYS 154 16.456 9.958 11.497 310 H THR 155 H THR 155 13.345 8.849 11.999 311 HA THR 155 HA THR 155 12.345 11.555 12.826 312 HB THR 155 HB THR 155 10.707 9.335 13.689 313 HG1 THR 155 1HG THR 155 10.192 8.523 11.668 314 1HG2 THR 155 1HG2 THR 155 9.419 11.187 13.454 315 2HG2 THR 155 2HG2 THR 155 9.309 10.701 11.762 316 3HG2 THR 155 3HG2 THR 155 10.504 11.899 12.259 317 H PHE 156 H PHE 156 13.984 8.682 13.872 318 HA PHE 156 HA PHE 156 13.714 9.568 16.707 319 1HB PHE 156 2HB PHE 156 14.805 6.985 16.643 320 2HB PHE 156 1HB PHE 156 13.165 7.422 17.090 321 HD1 PHE 156 1HD PHE 156 15.290 6.655 14.109 322 HD2 PHE 156 2HD PHE 156 11.347 6.680 15.808 323 HE1 PHE 156 1HE PHE 156 14.420 5.482 12.112 324 HE2 PHE 156 2HE PHE 156 10.476 5.499 13.810 325 HZ PHE 156 HZ PHE 156 12.014 4.898 11.959 326 H CYS 157 H CYS 157 16.002 8.439 14.251 327 HA CYS 157 HA CYS 157 18.210 9.455 15.994 328 1HB CYS 157 2HB CYS 157 19.374 7.577 15.431 329 2HB CYS 157 1HB CYS 157 17.797 6.949 14.982 330 H HIS 158 H HIS 158 16.355 10.745 13.933 331 HA HIS 158 HA HIS 158 16.481 12.160 12.029 332 1HB HIS 158 2HB HIS 158 18.483 12.926 14.131 333 2HB HIS 158 1HB HIS 158 18.259 13.942 12.705 334 HD1 HIS 158 1HD HIS 158 16.120 15.324 12.559 335 HD2 HIS 158 2HD HIS 158 16.101 12.671 15.775 336 HE1 HIS 158 1HE HIS 158 14.083 15.900 13.950 337 H THR 159 H THR 159 18.234 9.697 11.605 338 HA THR 159 HA THR 159 20.590 10.807 10.212 339 HB THR 159 HB THR 159 19.390 8.062 10.631 340 HG1 THR 159 1HG THR 159 21.351 9.614 11.757 341 1HG2 THR 159 1HG2 THR 159 21.061 7.068 9.301 342 2HG2 THR 159 2HG2 THR 159 22.025 8.542 9.252 343 3HG2 THR 159 3HG2 THR 159 20.530 8.434 8.326 344 H GLU 160 H GLU 160 20.770 10.913 7.929 345 HA GLU 160 HA GLU 160 18.443 11.411 6.380 346 1HB GLU 160 2HB GLU 160 21.109 11.765 6.117 347 2HB GLU 160 1HB GLU 160 20.899 10.373 5.054 348 1HG GLU 160 2HG GLU 160 20.160 11.774 3.457 349 2HG GLU 160 1HG GLU 160 18.756 12.111 4.471 350 H VAL 161 H VAL 161 16.968 9.989 5.534 351 HA VAL 161 HA VAL 161 17.625 7.082 5.508 352 HB VAL 161 HB VAL 161 15.210 6.825 5.408 353 1HG1 VAL 161 1HG1 VAL 161 16.265 8.924 7.293 354 2HG1 VAL 161 2HG1 VAL 161 15.822 7.251 7.635 355 3HG1 VAL 161 3HG1 VAL 161 14.566 8.455 7.343 356 1HG2 VAL 161 1HG2 VAL 161 15.395 9.454 4.201 357 2HG2 VAL 161 2HG2 VAL 161 14.228 9.465 5.523 358 3HG2 VAL 161 3HG2 VAL 161 14.042 8.322 4.192 359 H GLU 162 H GLU 162 16.817 5.836 3.568 360 HA GLU 162 HA GLU 162 16.873 7.445 1.041 361 1HB GLU 162 2HB GLU 162 18.343 4.839 1.535 362 2HB GLU 162 1HB GLU 162 18.491 5.893 0.130 363 1HG GLU 162 2HG GLU 162 19.145 6.819 2.935 364 2HG GLU 162 1HG GLU 162 20.351 6.102 1.865 365 H GLU 163 H GLU 163 15.511 6.614 -0.584 366 HA GLU 163 HA GLU 163 13.202 5.206 -0.046 367 1HB GLU 163 2HB GLU 163 14.984 5.390 -2.472 368 2HB GLU 163 1HB GLU 163 13.473 4.482 -2.541 369 1HG GLU 163 2HG GLU 163 12.577 6.744 -1.366 370 2HG GLU 163 1HG GLU 163 13.909 7.411 -2.310 371 H ASP 164 H ASP 164 12.783 3.143 0.634 372 HA ASP 164 HA ASP 164 14.961 1.140 0.633 373 1HB ASP 164 2HB ASP 164 13.735 1.388 2.667 374 2HB ASP 164 1HB ASP 164 12.188 1.367 1.819 375 H GLU 165 H GLU 165 15.144 -0.161 -1.155 376 HA GLU 165 HA GLU 165 12.837 -0.581 -2.949 377 1HB GLU 165 2HB GLU 165 15.324 -0.116 -3.534 378 2HB GLU 165 1HB GLU 165 15.586 -1.816 -3.140 379 1HG GLU 165 2HG GLU 165 15.167 -1.799 -5.478 380 2HG GLU 165 1HG GLU 165 13.645 -2.315 -4.753 381 H SER 166 H SER 166 13.672 -1.948 -0.100 382 HA SER 166 HA SER 166 12.911 -4.717 -0.978 383 1HB SER 166 2HB SER 166 14.392 -3.871 1.524 384 2HB SER 166 1HB SER 166 14.267 -5.494 0.852 385 HG SER 166 HG SER 166 15.868 -5.035 -0.424 386 H ALA 167 H ALA 167 12.863 -2.897 2.113 387 HA ALA 167 HA ALA 167 11.177 -2.839 3.783 388 1HB ALA 167 1HB ALA 167 9.516 -1.531 2.929 389 2HB ALA 167 2HB ALA 167 9.075 -2.734 1.717 390 3HB ALA 167 3HB ALA 167 10.425 -1.639 1.421 391 H MET 168 H MET 168 11.694 -5.301 4.021 392 HA MET 168 HA MET 168 9.141 -6.804 3.623 393 1HB MET 168 2HB MET 168 11.906 -7.394 2.638 394 2HB MET 168 1HB MET 168 10.894 -8.753 3.127 395 1HG MET 168 2HG MET 168 9.074 -7.558 1.649 396 2HG MET 168 1HG MET 168 10.471 -6.786 0.899 397 1HE MET 168 1HE MET 168 9.953 -8.632 -1.800 398 2HE MET 168 2HE MET 168 11.687 -8.628 -1.492 399 3HE MET 168 3HE MET 168 10.704 -7.263 -0.969 400 HA PRO 169 HA PRO 169 9.880 -8.166 7.725 401 1HB PRO 169 2HB PRO 169 8.758 -10.658 7.683 402 2HB PRO 169 1HB PRO 169 7.797 -9.167 7.642 403 1HG PRO 169 2HG PRO 169 8.520 -11.013 5.431 404 2HG PRO 169 1HG PRO 169 7.028 -10.099 5.700 405 1HD PRO 169 2HD PRO 169 8.995 -9.372 3.924 406 2HD PRO 169 1HD PRO 169 7.831 -8.244 4.650 407 H LYS 170 H LYS 170 10.581 -10.745 5.333 408 HA LYS 170 HA LYS 170 12.293 -12.388 5.337 409 1HB LYS 170 2HB LYS 170 13.248 -9.844 5.176 410 2HB LYS 170 1HB LYS 170 14.122 -10.419 6.596 411 1HG LYS 170 2HG LYS 170 15.453 -11.753 5.350 412 2HG LYS 170 1HG LYS 170 14.077 -12.407 4.459 413 1HD LYS 170 2HD LYS 170 14.564 -9.640 3.730 414 2HD LYS 170 1HD LYS 170 16.006 -10.623 3.476 415 1HE LYS 170 2HE LYS 170 14.126 -12.301 2.463 416 2HE LYS 170 1HE LYS 170 13.385 -10.733 2.083 417 1HZ LYS 170 1HZ LYS 170 15.942 -11.843 1.190 418 2HZ LYS 170 2HZ LYS 170 15.870 -10.169 1.475 419 3HZ LYS 170 3HZ LYS 170 14.826 -10.887 0.343 420 H LYS 171 H LYS 171 10.687 -11.979 7.911 421 HA LYS 171 HA LYS 171 12.514 -12.431 10.126 422 1HB LYS 171 2HB LYS 171 10.317 -11.426 10.421 423 2HB LYS 171 1HB LYS 171 9.535 -12.841 9.715 424 1HG LYS 171 2HG LYS 171 10.014 -14.192 11.577 425 2HG LYS 171 1HG LYS 171 11.302 -13.125 12.137 426 1HD LYS 171 2HD LYS 171 9.743 -11.465 12.864 427 2HD LYS 171 1HD LYS 171 8.407 -12.256 12.026 428 1HE LYS 171 2HE LYS 171 8.229 -13.951 13.625 429 2HE LYS 171 1HE LYS 171 9.916 -13.773 14.145 430 1HZ LYS 171 1HZ LYS 171 7.853 -11.665 14.476 431 2HZ LYS 171 2HZ LYS 171 9.429 -11.667 15.111 432 3HZ LYS 171 3HZ LYS 171 8.272 -12.764 15.698 433 H ASP 172 H ASP 172 13.791 -14.283 9.836 434 HA ASP 172 HA ASP 172 12.318 -16.863 9.398 435 1HB ASP 172 2HB ASP 172 14.379 -17.624 8.306 436 2HB ASP 172 1HB ASP 172 13.843 -16.114 7.568 437 H ALA 173 H ALA 173 13.363 -15.182 11.878 438 HA ALA 173 HA ALA 173 14.344 -15.684 13.975 439 1HB ALA 173 1HB ALA 173 13.959 -18.450 14.097 440 2HB ALA 173 2HB ALA 173 12.732 -17.894 12.957 441 3HB ALA 173 3HB ALA 173 12.795 -17.219 14.585 442 H ARG 174 H ARG 174 16.569 -15.271 13.300 443 HA ARG 174 HA ARG 174 18.837 -15.890 13.056 444 1HB ARG 174 2HB ARG 174 17.570 -17.593 14.839 445 2HB ARG 174 1HB ARG 174 18.349 -18.709 13.716 446 1HG ARG 174 2HG ARG 174 20.496 -17.897 14.191 447 2HG ARG 174 1HG ARG 174 19.882 -16.366 14.818 448 1HD ARG 174 2HD ARG 174 19.184 -18.954 16.206 449 2HD ARG 174 1HD ARG 174 20.720 -18.131 16.546 450 HE ARG 174 HE ARG 174 18.421 -16.329 16.579 451 1HH1 ARG 174 1HH1 ARG 174 20.929 -16.121 18.276 452 2HH1 ARG 174 2HH1 ARG 174 20.310 -16.506 19.848 453 1HH2 ARG 174 1HH2 ARG 174 17.362 -17.875 18.645 454 2HH2 ARG 174 2HH2 ARG 174 18.290 -17.496 20.057 Start of MODEL 11 1 1H ARG 113 1HT ARG 113 -2.222 15.308 -11.348 2 2H ARG 113 2HT ARG 113 -0.958 14.186 -11.187 3 3H ARG 113 3HT ARG 113 -1.976 14.133 -12.546 4 HA ARG 113 HA ARG 113 -1.082 16.112 -13.444 5 1HB ARG 113 2HB ARG 113 0.339 17.548 -12.052 6 2HB ARG 113 1HB ARG 113 -1.179 17.229 -11.212 7 1HG ARG 113 2HG ARG 113 -0.066 15.389 -9.958 8 2HG ARG 113 1HG ARG 113 1.457 15.805 -10.746 9 1HD ARG 113 2HD ARG 113 1.232 18.136 -9.801 10 2HD ARG 113 1HD ARG 113 -0.165 17.558 -8.868 11 HE ARG 113 HE ARG 113 2.600 16.436 -8.602 12 1HH1 ARG 113 1HH2 ARG 113 0.288 14.700 -7.713 13 2HH1 ARG 113 2HH2 ARG 113 0.185 15.094 -6.030 14 1HH2 ARG 113 1HH1 ARG 113 2.100 17.970 -6.311 15 2HH2 ARG 113 2HH1 ARG 113 1.212 16.944 -5.235 16 H ILE 114 H ILE 114 1.331 16.510 -14.051 17 HA ILE 114 HA ILE 114 2.884 13.957 -13.754 18 HB ILE 114 HB ILE 114 2.823 15.716 -16.215 19 1HG1 ILE 114 2HG1 ILE 114 0.502 15.019 -15.697 20 2HG1 ILE 114 1HG1 ILE 114 1.109 14.196 -17.134 21 1HG2 ILE 114 1HG2 ILE 114 3.300 13.329 -17.181 22 2HG2 ILE 114 2HG2 ILE 114 3.728 12.933 -15.517 23 3HG2 ILE 114 3HG2 ILE 114 4.604 14.201 -16.375 24 1HD1 ILE 114 1HD1 ILE 114 0.833 12.185 -16.158 25 2HD1 ILE 114 2HD1 ILE 114 0.065 13.000 -14.796 26 3HD1 ILE 114 3HD1 ILE 114 1.799 12.685 -14.770 27 H GLU 115 H GLU 115 5.074 14.243 -13.312 28 HA GLU 115 HA GLU 115 6.150 17.041 -13.416 29 1HB GLU 115 2HB GLU 115 5.397 15.658 -11.156 30 2HB GLU 115 1HB GLU 115 7.119 15.286 -11.254 31 1HG GLU 115 2HG GLU 115 7.515 17.781 -11.575 32 2HG GLU 115 1HG GLU 115 5.824 18.019 -11.134 33 H THR 116 H THR 116 7.107 16.152 -15.493 34 HA THR 116 HA THR 116 8.846 15.079 -16.705 35 HB THR 116 HB THR 116 10.267 15.779 -14.116 36 HG1 THR 116 1HG THR 116 9.247 17.599 -14.722 37 1HG2 THR 116 1HG2 THR 116 11.174 15.504 -16.991 38 2HG2 THR 116 2HG2 THR 116 11.698 14.541 -15.610 39 3HG2 THR 116 3HG2 THR 116 12.156 16.240 -15.725 40 H ASP 117 H ASP 117 7.315 13.068 -15.712 41 HA ASP 117 HA ASP 117 7.397 10.785 -15.107 42 1HB ASP 117 2HB ASP 117 9.576 11.399 -16.628 43 2HB ASP 117 1HB ASP 117 10.361 10.787 -15.171 44 H GLU 118 H GLU 118 9.283 9.379 -13.581 45 HA GLU 118 HA GLU 118 10.171 10.782 -11.224 46 1HB GLU 118 2HB GLU 118 7.548 10.849 -11.281 47 2HB GLU 118 1HB GLU 118 7.671 9.166 -10.767 48 1HG GLU 118 2HG GLU 118 8.610 9.715 -8.719 49 2HG GLU 118 1HG GLU 118 9.298 11.224 -9.320 50 H ARG 119 H ARG 119 8.435 7.679 -11.680 51 HA ARG 119 HA ARG 119 10.979 6.182 -11.414 52 1HB ARG 119 2HB ARG 119 9.068 6.708 -9.269 53 2HB ARG 119 1HB ARG 119 9.303 4.978 -9.528 54 1HG ARG 119 2HG ARG 119 11.679 5.171 -9.232 55 2HG ARG 119 1HG ARG 119 11.598 6.934 -9.261 56 1HD ARG 119 2HD ARG 119 10.247 6.893 -7.169 57 2HD ARG 119 1HD ARG 119 10.416 5.126 -7.121 58 HE ARG 119 HE ARG 119 12.422 6.914 -6.236 59 1HH1 ARG 119 1HH1 ARG 119 12.174 3.739 -6.537 60 2HH1 ARG 119 2HH1 ARG 119 13.735 3.426 -7.218 61 1HH2 ARG 119 1HH2 ARG 119 14.384 6.754 -7.936 62 2HH2 ARG 119 2HH2 ARG 119 14.985 5.132 -8.014 63 H ASP 120 H ASP 120 10.838 4.300 -12.600 64 HA ASP 120 HA ASP 120 8.413 3.704 -14.091 65 1HB ASP 120 2HB ASP 120 11.217 2.717 -13.837 66 2HB ASP 120 1HB ASP 120 10.042 1.607 -14.542 67 H SER 121 H SER 121 9.500 2.879 -10.967 68 HA SER 121 HA SER 121 7.253 1.065 -10.544 69 1HB SER 121 2HB SER 121 8.905 -0.821 -9.898 70 2HB SER 121 1HB SER 121 8.648 -0.528 -11.616 71 HG SER 121 HG SER 121 10.913 -0.423 -10.249 72 H THR 122 H THR 122 6.631 1.648 -8.501 73 HA THR 122 HA THR 122 8.783 2.259 -6.498 74 HB THR 122 HB THR 122 5.999 3.447 -6.671 75 HG1 THR 122 1HG THR 122 6.903 4.311 -8.394 76 1HG2 THR 122 1HG2 THR 122 8.157 3.562 -4.759 77 2HG2 THR 122 2HG2 THR 122 6.548 4.278 -4.658 78 3HG2 THR 122 3HG2 THR 122 7.861 5.166 -5.432 79 H ASN 123 H ASN 123 5.357 1.243 -6.823 80 HA ASN 123 HA ASN 123 4.110 -0.307 -5.547 81 1HB ASN 123 2HB ASN 123 6.232 -1.588 -6.256 82 2HB ASN 123 1HB ASN 123 6.820 -1.281 -4.621 83 1HD2 ASN 123 1HD2 ASN 123 5.641 -2.290 -2.819 84 2HD2 ASN 123 2HD2 ASN 123 4.585 -3.591 -3.091 85 H ARG 124 H ARG 124 3.675 1.772 -4.214 86 HA ARG 124 HA ARG 124 3.328 2.683 -2.057 87 1HB ARG 124 2HB ARG 124 3.402 -0.036 -1.818 88 2HB ARG 124 1HB ARG 124 4.725 0.421 -0.745 89 1HG ARG 124 2HG ARG 124 2.799 0.434 0.642 90 2HG ARG 124 1HG ARG 124 3.085 2.133 0.261 91 1HD ARG 124 2HD ARG 124 1.450 1.861 -1.676 92 2HD ARG 124 1HD ARG 124 1.022 0.287 -0.975 93 HE ARG 124 HE ARG 124 0.614 2.924 0.356 94 1HH1 ARG 124 1HH2 ARG 124 -1.605 0.974 -0.364 95 2HH1 ARG 124 2HH2 ARG 124 -1.930 0.247 1.175 96 1HH2 ARG 124 1HH1 ARG 124 1.024 1.353 2.618 97 2HH2 ARG 124 2HH1 ARG 124 -0.440 0.462 2.864 98 H ALA 125 H ALA 125 4.603 4.367 -1.409 99 HA ALA 125 HA ALA 125 7.433 4.495 -1.792 100 1HB ALA 125 1HB ALA 125 6.114 6.149 0.305 101 2HB ALA 125 2HB ALA 125 5.423 6.235 -1.315 102 3HB ALA 125 3HB ALA 125 7.117 6.654 -1.055 103 H SER 126 H SER 126 9.117 3.893 -0.455 104 HA SER 126 HA SER 126 8.600 3.339 2.415 105 1HB SER 126 2HB SER 126 8.083 1.225 1.447 106 2HB SER 126 1HB SER 126 9.420 1.338 0.304 107 HG SER 126 HG SER 126 9.505 0.097 2.523 108 H PHE 127 H PHE 127 10.198 4.592 3.298 109 HA PHE 127 HA PHE 127 12.866 4.704 1.964 110 1HB PHE 127 2HB PHE 127 11.743 6.336 4.256 111 2HB PHE 127 1HB PHE 127 13.127 6.737 3.242 112 HD1 PHE 127 1HD PHE 127 9.442 6.416 3.339 113 HD2 PHE 127 2HD PHE 127 12.843 7.647 1.021 114 HE1 PHE 127 1HE PHE 127 7.935 7.557 1.732 115 HE2 PHE 127 2HE PHE 127 11.336 8.787 -0.585 116 HZ PHE 127 HZ PHE 127 8.883 8.742 -0.229 117 H LYS 128 H LYS 128 14.781 4.339 3.262 118 HA LYS 128 HA LYS 128 14.314 2.945 5.856 119 1HB LYS 128 2HB LYS 128 14.671 1.148 4.411 120 2HB LYS 128 1HB LYS 128 15.737 2.078 3.362 121 1HG LYS 128 2HG LYS 128 17.574 1.468 4.533 122 2HG LYS 128 1HG LYS 128 16.799 1.831 6.076 123 1HD LYS 128 2HD LYS 128 15.577 -0.507 4.916 124 2HD LYS 128 1HD LYS 128 17.327 -0.725 4.984 125 1HE LYS 128 2HE LYS 128 17.274 -0.971 7.236 126 2HE LYS 128 1HE LYS 128 16.311 0.508 7.430 127 1HZ LYS 128 1HZ LYS 128 15.301 -1.888 7.886 128 2HZ LYS 128 2HZ LYS 128 14.992 -1.796 6.218 129 3HZ LYS 128 3HZ LYS 128 14.365 -0.617 7.269 130 H CYS 129 H CYS 129 15.787 3.492 7.445 131 HA CYS 129 HA CYS 129 17.640 5.707 6.883 132 1HB CYS 129 2HB CYS 129 16.110 5.675 8.818 133 2HB CYS 129 1HB CYS 129 16.877 4.198 9.398 134 HA PRO 130 HA PRO 130 21.088 2.951 6.647 135 1HB PRO 130 2HB PRO 130 23.041 4.854 6.559 136 2HB PRO 130 1HB PRO 130 21.978 4.496 5.184 137 1HG PRO 130 2HG PRO 130 21.945 6.784 7.048 138 2HG PRO 130 1HG PRO 130 21.417 6.687 5.363 139 1HD PRO 130 2HD PRO 130 19.767 6.650 7.632 140 2HD PRO 130 1HD PRO 130 19.287 6.251 5.970 141 H VAL 131 H VAL 131 20.728 5.330 9.209 142 HA VAL 131 HA VAL 131 23.041 4.304 10.711 143 HB VAL 131 HB VAL 131 20.977 6.463 11.041 144 1HG1 VAL 131 1HG1 VAL 131 21.254 5.359 13.265 145 2HG1 VAL 131 2HG1 VAL 131 21.888 7.003 13.244 146 3HG1 VAL 131 3HG1 VAL 131 22.993 5.631 13.151 147 1HG2 VAL 131 1HG2 VAL 131 22.978 7.876 11.090 148 2HG2 VAL 131 2HG2 VAL 131 23.050 6.813 9.685 149 3HG2 VAL 131 3HG2 VAL 131 24.012 6.450 11.117 150 H CYS 132 H CYS 132 19.676 4.807 11.817 151 HA CYS 132 HA CYS 132 19.986 2.505 13.627 152 1HB CYS 132 2HB CYS 132 17.984 3.341 14.627 153 2HB CYS 132 1HB CYS 132 18.909 4.760 14.147 154 H SER 133 H SER 133 19.607 2.441 10.510 155 HA SER 133 HA SER 133 18.519 1.067 8.933 156 1HB SER 133 2HB SER 133 18.172 -1.274 10.040 157 2HB SER 133 1HB SER 133 19.799 -0.609 9.938 158 HG SER 133 HG SER 133 19.411 -1.323 12.031 159 H SER 134 H SER 134 16.667 2.789 10.584 160 HA SER 134 HA SER 134 14.288 1.156 11.067 161 1HB SER 134 2HB SER 134 15.114 4.023 11.154 162 2HB SER 134 1HB SER 134 13.390 3.677 11.069 163 HG SER 134 HG SER 134 13.761 2.235 12.880 164 H THR 135 H THR 135 12.249 2.620 9.869 165 HA THR 135 HA THR 135 12.851 2.928 6.996 166 HB THR 135 HB THR 135 10.791 0.893 7.827 167 HG1 THR 135 1HG THR 135 12.351 -0.659 7.779 168 1HG2 THR 135 1HG2 THR 135 10.687 1.589 5.525 169 2HG2 THR 135 2HG2 THR 135 11.434 -0.008 5.552 170 3HG2 THR 135 3HG2 THR 135 12.432 1.430 5.340 171 H PHE 136 H PHE 136 10.944 3.720 5.797 172 HA PHE 136 HA PHE 136 8.624 4.617 7.415 173 1HB PHE 136 2HB PHE 136 10.346 6.545 5.831 174 2HB PHE 136 1HB PHE 136 9.034 6.944 6.940 175 HD1 PHE 136 1HD PHE 136 9.326 6.786 9.361 176 HD2 PHE 136 2HD PHE 136 12.529 5.823 6.666 177 HE1 PHE 136 1HE PHE 136 10.934 6.862 11.246 178 HE2 PHE 136 2HE PHE 136 14.138 5.898 8.553 179 HZ PHE 136 HZ PHE 136 13.340 6.419 10.840 180 H THR 137 H THR 137 6.976 5.677 5.918 181 HA THR 137 HA THR 137 7.224 4.630 3.115 182 HB THR 137 HB THR 137 4.581 4.489 3.571 183 HG1 THR 137 1HG THR 137 4.723 3.537 5.888 184 1HG2 THR 137 1HG2 THR 137 5.572 2.505 2.904 185 2HG2 THR 137 2HG2 THR 137 5.180 2.110 4.577 186 3HG2 THR 137 3HG2 THR 137 6.821 2.591 4.146 187 H ASP 138 H ASP 138 5.108 5.727 1.905 188 HA ASP 138 HA ASP 138 5.731 8.431 1.459 189 1HB ASP 138 2HB ASP 138 3.294 8.441 0.582 190 2HB ASP 138 1HB ASP 138 4.408 7.263 -0.114 191 H LEU 139 H LEU 139 3.196 7.092 3.618 192 HA LEU 139 HA LEU 139 2.101 9.526 4.539 193 1HB LEU 139 2HB LEU 139 1.247 8.183 6.320 194 2HB LEU 139 1HB LEU 139 1.434 7.074 4.963 195 HG LEU 139 HG LEU 139 3.891 6.848 6.067 196 1HD1 LEU 139 1HD1 LEU 139 1.970 7.564 8.294 197 2HD1 LEU 139 2HD1 LEU 139 3.528 8.307 7.934 198 3HD1 LEU 139 3HD1 LEU 139 3.460 6.664 8.572 199 1HD2 LEU 139 1HD2 LEU 139 2.108 5.089 5.539 200 2HD2 LEU 139 2HD2 LEU 139 1.512 5.343 7.179 201 3HD2 LEU 139 3HD2 LEU 139 3.148 4.739 6.919 202 H GLU 140 H GLU 140 5.164 7.992 5.278 203 HA GLU 140 HA GLU 140 5.714 9.822 7.544 204 1HB GLU 140 2HB GLU 140 7.207 7.562 6.174 205 2HB GLU 140 1HB GLU 140 7.871 8.473 7.531 206 1HG GLU 140 2HG GLU 140 5.241 6.966 7.586 207 2HG GLU 140 1HG GLU 140 6.757 6.372 8.265 208 H ALA 141 H ALA 141 6.305 9.537 4.135 209 HA ALA 141 HA ALA 141 8.702 11.077 3.890 210 1HB ALA 141 1HB ALA 141 6.475 11.149 1.873 211 2HB ALA 141 2HB ALA 141 7.250 9.606 2.237 212 3HB ALA 141 3HB ALA 141 8.208 10.947 1.608 213 H ASN 142 H ASN 142 5.316 12.002 4.285 214 HA ASN 142 HA ASN 142 5.764 14.812 3.606 215 1HB ASN 142 2HB ASN 142 3.417 15.005 4.319 216 2HB ASN 142 1HB ASN 142 3.623 13.590 3.287 217 1HD2 ASN 142 1HD2 ASN 142 1.942 12.292 4.212 218 2HD2 ASN 142 2HD2 ASN 142 1.982 11.743 5.817 219 H GLN 143 H GLN 143 6.170 12.861 6.440 220 HA GLN 143 HA GLN 143 6.241 15.309 8.167 221 1HB GLN 143 2HB GLN 143 6.086 13.555 9.998 222 2HB GLN 143 1HB GLN 143 4.689 13.623 8.923 223 1HG GLN 143 2HG GLN 143 5.267 11.645 7.825 224 2HG GLN 143 1HG GLN 143 6.966 11.775 8.276 225 1HE2 GLN 143 1HE2 GLN 143 3.804 10.675 9.363 226 2HE2 GLN 143 2HE2 GLN 143 4.345 9.942 10.795 227 H LEU 144 H LEU 144 8.264 13.256 6.461 228 HA LEU 144 HA LEU 144 10.518 13.671 8.402 229 1HB LEU 144 2HB LEU 144 9.948 11.528 6.331 230 2HB LEU 144 1HB LEU 144 11.478 11.658 7.200 231 HG LEU 144 HG LEU 144 8.756 11.324 8.493 232 1HD1 LEU 144 1HD1 LEU 144 9.666 9.319 7.252 233 2HD1 LEU 144 2HD1 LEU 144 9.442 9.064 8.983 234 3HD1 LEU 144 3HD1 LEU 144 11.057 9.360 8.336 235 1HD2 LEU 144 1HD2 LEU 144 10.841 10.674 10.265 236 2HD2 LEU 144 2HD2 LEU 144 9.808 12.102 10.333 237 3HD2 LEU 144 3HD2 LEU 144 11.350 12.172 9.482 238 H PHE 145 H PHE 145 9.266 14.350 5.268 239 HA PHE 145 HA PHE 145 11.659 14.730 3.760 240 1HB PHE 145 2HB PHE 145 9.428 14.621 2.791 241 2HB PHE 145 1HB PHE 145 8.932 16.057 3.686 242 HD1 PHE 145 1HD PHE 145 10.231 14.854 0.618 243 HD2 PHE 145 2HD PHE 145 10.423 18.200 3.303 244 HE1 PHE 145 1HE PHE 145 11.067 16.284 -1.225 245 HE2 PHE 145 2HE PHE 145 11.262 19.630 1.460 246 HZ PHE 145 HZ PHE 145 11.585 18.674 -0.804 247 H ASP 146 H ASP 146 13.214 16.288 3.929 248 HA ASP 146 HA ASP 146 12.570 18.760 5.504 249 1HB ASP 146 2HB ASP 146 14.809 16.795 5.521 250 2HB ASP 146 1HB ASP 146 15.244 18.487 5.765 251 HA PRO 147 HA PRO 147 13.678 20.734 1.684 252 1HB PRO 147 2HB PRO 147 13.605 23.306 2.616 253 2HB PRO 147 1HB PRO 147 12.142 22.367 2.256 254 1HG PRO 147 2HG PRO 147 13.425 22.943 4.877 255 2HG PRO 147 1HG PRO 147 11.709 22.850 4.457 256 1HD PRO 147 2HD PRO 147 13.075 20.852 5.730 257 2HD PRO 147 1HD PRO 147 11.633 20.583 4.727 258 H MET 148 H MET 148 15.454 20.815 4.638 259 HA MET 148 HA MET 148 17.643 22.511 3.720 260 1HB MET 148 2HB MET 148 18.692 21.602 5.816 261 2HB MET 148 1HB MET 148 17.080 22.269 6.079 262 1HG MET 148 2HG MET 148 16.431 20.289 6.924 263 2HG MET 148 1HG MET 148 16.725 19.551 5.349 264 1HE MET 148 1HE MET 148 19.688 19.956 8.828 265 2HE MET 148 2HE MET 148 17.939 19.936 9.033 266 3HE MET 148 3HE MET 148 18.699 21.242 8.124 267 H THR 149 H THR 149 16.771 19.175 3.324 268 HA THR 149 HA THR 149 19.479 18.636 2.145 269 HB THR 149 HB THR 149 19.162 17.494 4.294 270 HG1 THR 149 1HG THR 149 18.910 15.852 2.002 271 1HG2 THR 149 1HG2 THR 149 17.118 15.628 3.666 272 2HG2 THR 149 2HG2 THR 149 16.482 17.232 3.301 273 3HG2 THR 149 3HG2 THR 149 17.096 16.873 4.914 274 H GLY 150 H GLY 150 16.246 19.029 1.471 275 1HA GLY 150 2HA GLY 150 14.927 18.469 -0.387 276 2HA GLY 150 1HA GLY 150 16.438 18.065 -1.203 277 H THR 151 H THR 151 15.690 16.442 1.772 278 HA THR 151 HA THR 151 14.627 14.070 0.310 279 HB THR 151 HB THR 151 16.650 13.301 2.232 280 HG1 THR 151 1HG THR 151 17.674 14.781 0.071 281 1HG2 THR 151 1HG2 THR 151 15.797 11.923 0.365 282 2HG2 THR 151 2HG2 THR 151 17.549 12.108 0.285 283 3HG2 THR 151 3HG2 THR 151 16.513 13.054 -0.784 284 H PHE 152 H PHE 152 14.755 12.273 2.436 285 HA PHE 152 HA PHE 152 12.915 13.559 4.414 286 1HB PHE 152 2HB PHE 152 13.323 10.628 3.757 287 2HB PHE 152 1HB PHE 152 11.969 11.347 4.629 288 HD1 PHE 152 1HD PHE 152 13.568 10.944 1.325 289 HD2 PHE 152 2HD PHE 152 10.205 12.544 3.464 290 HE1 PHE 152 1HE PHE 152 12.376 11.305 -0.819 291 HE2 PHE 152 2HE PHE 152 9.013 12.906 1.321 292 HZ PHE 152 HZ PHE 152 10.098 12.286 -0.822 293 H ARG 153 H ARG 153 13.491 13.561 6.570 294 HA ARG 153 HA ARG 153 16.134 12.350 7.263 295 1HB ARG 153 2HB ARG 153 14.464 14.656 8.195 296 2HB ARG 153 1HB ARG 153 15.605 13.933 9.330 297 1HG ARG 153 2HG ARG 153 17.096 14.142 7.006 298 2HG ARG 153 1HG ARG 153 16.125 15.615 6.988 299 1HD ARG 153 2HD ARG 153 16.876 16.170 9.266 300 2HD ARG 153 1HD ARG 153 17.831 14.675 9.324 301 HE ARG 153 HE ARG 153 18.544 16.059 6.949 302 1HH1 ARG 153 1HH1 ARG 153 18.525 16.677 10.337 303 2HH1 ARG 153 2HH1 ARG 153 20.057 17.485 10.334 304 1HH2 ARG 153 1HH2 ARG 153 20.620 16.979 6.951 305 2HH2 ARG 153 2HH2 ARG 153 21.242 17.656 8.418 306 H CYS 154 H CYS 154 16.315 10.904 8.980 307 HA CYS 154 HA CYS 154 14.265 9.122 9.659 308 1HB CYS 154 2HB CYS 154 16.793 9.061 10.056 309 2HB CYS 154 1HB CYS 154 16.491 10.044 11.487 310 H THR 155 H THR 155 13.420 8.913 12.070 311 HA THR 155 HA THR 155 12.418 11.609 12.923 312 HB THR 155 HB THR 155 10.763 9.474 13.852 313 HG1 THR 155 1HG THR 155 10.254 8.521 11.864 314 1HG2 THR 155 1HG2 THR 155 10.611 11.933 12.312 315 2HG2 THR 155 2HG2 THR 155 9.403 11.201 13.366 316 3HG2 THR 155 3HG2 THR 155 9.512 10.708 11.676 317 H PHE 156 H PHE 156 14.033 8.683 13.920 318 HA PHE 156 HA PHE 156 13.852 9.575 16.763 319 1HB PHE 156 2HB PHE 156 14.934 7.003 16.699 320 2HB PHE 156 1HB PHE 156 13.284 7.428 17.123 321 HD1 PHE 156 1HD PHE 156 11.491 6.681 15.810 322 HD2 PHE 156 2HD PHE 156 15.464 6.648 14.182 323 HE1 PHE 156 1HE PHE 156 10.660 5.475 13.811 324 HE2 PHE 156 2HE PHE 156 14.633 5.448 12.185 325 HZ PHE 156 HZ PHE 156 12.233 4.856 11.996 326 H CYS 157 H CYS 157 16.084 8.490 14.237 327 HA CYS 157 HA CYS 157 18.326 9.478 15.955 328 1HB CYS 157 2HB CYS 157 19.469 7.593 15.384 329 2HB CYS 157 1HB CYS 157 17.884 6.973 14.948 330 H HIS 158 H HIS 158 16.460 10.790 13.918 331 HA HIS 158 HA HIS 158 16.593 12.197 11.997 332 1HB HIS 158 2HB HIS 158 18.689 12.976 14.023 333 2HB HIS 158 1HB HIS 158 18.266 14.015 12.661 334 HD1 HIS 158 1HD HIS 158 16.114 15.341 12.825 335 HD2 HIS 158 2HD HIS 158 16.429 12.457 15.819 336 HE1 HIS 158 1HE HIS 158 14.178 15.736 14.410 337 H THR 159 H THR 159 18.270 9.734 11.507 338 HA THR 159 HA THR 159 20.663 10.841 10.154 339 HB THR 159 HB THR 159 19.482 8.093 10.592 340 HG1 THR 159 1HG THR 159 21.543 9.645 11.623 341 1HG2 THR 159 1HG2 THR 159 20.601 8.386 8.303 342 2HG2 THR 159 2HG2 THR 159 21.250 7.114 9.332 343 3HG2 THR 159 3HG2 THR 159 22.100 8.653 9.192 344 H GLU 160 H GLU 160 20.736 11.207 7.937 345 HA GLU 160 HA GLU 160 18.490 11.585 6.332 346 1HB GLU 160 2HB GLU 160 21.370 11.296 6.041 347 2HB GLU 160 1HB GLU 160 20.526 10.673 4.623 348 1HG GLU 160 2HG GLU 160 20.766 12.949 4.110 349 2HG GLU 160 1HG GLU 160 19.137 12.876 4.781 350 H VAL 161 H VAL 161 16.926 10.127 5.755 351 HA VAL 161 HA VAL 161 17.492 7.233 5.759 352 HB VAL 161 HB VAL 161 15.042 7.124 5.373 353 1HG1 VAL 161 1HG1 VAL 161 15.561 9.278 7.421 354 2HG1 VAL 161 2HG1 VAL 161 16.150 7.633 7.661 355 3HG1 VAL 161 3HG1 VAL 161 14.419 7.937 7.502 356 1HG2 VAL 161 1HG2 VAL 161 13.994 8.835 4.348 357 2HG2 VAL 161 2HG2 VAL 161 15.508 9.737 4.320 358 3HG2 VAL 161 3HG2 VAL 161 14.410 9.902 5.689 359 H GLU 162 H GLU 162 17.006 5.886 3.868 360 HA GLU 162 HA GLU 162 17.175 7.351 1.256 361 1HB GLU 162 2HB GLU 162 18.631 4.846 2.169 362 2HB GLU 162 1HB GLU 162 18.740 5.549 0.554 363 1HG GLU 162 2HG GLU 162 19.525 7.695 1.643 364 2HG GLU 162 1HG GLU 162 19.631 6.804 3.162 365 H GLU 163 H GLU 163 15.894 6.473 -0.390 366 HA GLU 163 HA GLU 163 13.586 4.976 0.205 367 1HB GLU 163 2HB GLU 163 15.209 5.477 -2.294 368 2HB GLU 163 1HB GLU 163 13.698 4.567 -2.354 369 1HG GLU 163 2HG GLU 163 12.414 6.410 -1.660 370 2HG GLU 163 1HG GLU 163 13.811 7.247 -0.984 371 H ASP 164 H ASP 164 13.204 2.797 0.456 372 HA ASP 164 HA ASP 164 15.510 0.942 0.303 373 1HB ASP 164 2HB ASP 164 14.033 1.036 2.283 374 2HB ASP 164 1HB ASP 164 12.647 0.635 1.268 375 H GLU 165 H GLU 165 15.836 0.186 -1.780 376 HA GLU 165 HA GLU 165 13.617 -0.245 -3.643 377 1HB GLU 165 2HB GLU 165 16.299 0.312 -3.804 378 2HB GLU 165 1HB GLU 165 16.277 -1.410 -4.189 379 1HG GLU 165 2HG GLU 165 14.368 0.522 -5.507 380 2HG GLU 165 1HG GLU 165 15.984 0.235 -6.154 381 H SER 166 H SER 166 15.081 -2.070 -1.148 382 HA SER 166 HA SER 166 14.303 -4.678 -2.379 383 1HB SER 166 2HB SER 166 15.877 -5.601 -0.906 384 2HB SER 166 1HB SER 166 16.579 -4.019 -1.234 385 HG SER 166 HG SER 166 15.137 -3.430 0.692 386 H ALA 167 H ALA 167 12.319 -2.709 -1.329 387 HA ALA 167 HA ALA 167 11.388 -3.720 1.252 388 1HB ALA 167 1HB ALA 167 10.058 -1.993 -0.862 389 2HB ALA 167 2HB ALA 167 11.104 -1.388 0.422 390 3HB ALA 167 3HB ALA 167 9.557 -2.136 0.823 391 H MET 168 H MET 168 11.142 -6.025 0.739 392 HA MET 168 HA MET 168 8.555 -6.594 -0.633 393 1HB MET 168 2HB MET 168 11.318 -7.578 -1.294 394 2HB MET 168 1HB MET 168 9.935 -8.630 -1.597 395 1HG MET 168 2HG MET 168 8.899 -6.954 -3.015 396 2HG MET 168 1HG MET 168 10.155 -5.783 -2.613 397 1HE MET 168 1HE MET 168 12.540 -5.834 -4.891 398 2HE MET 168 2HE MET 168 13.212 -6.820 -3.594 399 3HE MET 168 3HE MET 168 12.065 -5.538 -3.214 400 HA PRO 169 HA PRO 169 9.196 -8.828 3.385 401 1HB PRO 169 2HB PRO 169 6.787 -8.115 4.472 402 2HB PRO 169 1HB PRO 169 8.251 -7.123 4.629 403 1HG PRO 169 2HG PRO 169 5.932 -6.798 2.795 404 2HG PRO 169 1HG PRO 169 6.888 -5.569 3.636 405 1HD PRO 169 2HD PRO 169 7.195 -6.183 0.991 406 2HD PRO 169 1HD PRO 169 8.491 -5.516 2.009 407 H LYS 170 H LYS 170 6.847 -9.996 4.433 408 HA LYS 170 HA LYS 170 6.414 -12.191 2.620 409 1HB LYS 170 2HB LYS 170 5.586 -11.265 5.297 410 2HB LYS 170 1HB LYS 170 4.404 -12.301 4.495 411 1HG LYS 170 2HG LYS 170 7.266 -13.145 4.393 412 2HG LYS 170 1HG LYS 170 6.417 -13.324 5.929 413 1HD LYS 170 2HD LYS 170 5.313 -14.348 3.302 414 2HD LYS 170 1HD LYS 170 6.277 -15.340 4.396 415 1HE LYS 170 2HE LYS 170 4.127 -13.938 5.804 416 2HE LYS 170 1HE LYS 170 3.518 -15.027 4.540 417 1HZ LYS 170 1HZ LYS 170 5.727 -15.916 6.264 418 2HZ LYS 170 2HZ LYS 170 4.545 -16.840 5.467 419 3HZ LYS 170 3HZ LYS 170 4.144 -15.975 6.872 420 H LYS 171 H LYS 171 5.037 -12.223 0.891 421 HA LYS 171 HA LYS 171 3.032 -10.080 0.557 422 1HB LYS 171 2HB LYS 171 2.943 -10.918 -1.703 423 2HB LYS 171 1HB LYS 171 4.637 -10.956 -1.213 424 1HG LYS 171 2HG LYS 171 3.877 -13.409 -0.374 425 2HG LYS 171 1HG LYS 171 2.764 -13.205 -1.727 426 1HD LYS 171 2HD LYS 171 4.649 -12.694 -3.221 427 2HD LYS 171 1HD LYS 171 5.774 -12.854 -1.872 428 1HE LYS 171 2HE LYS 171 5.844 -14.967 -3.000 429 2HE LYS 171 1HE LYS 171 4.805 -15.241 -1.587 430 1HZ LYS 171 1HZ LYS 171 3.740 -14.336 -4.201 431 2HZ LYS 171 2HZ LYS 171 2.873 -14.947 -2.874 432 3HZ LYS 171 3HZ LYS 171 3.863 -15.977 -3.793 433 H ASP 172 H ASP 172 0.767 -10.490 0.412 434 HA ASP 172 HA ASP 172 -0.125 -12.968 1.782 435 1HB ASP 172 2HB ASP 172 -2.218 -11.701 2.017 436 2HB ASP 172 1HB ASP 172 -0.851 -10.696 2.499 437 H ALA 173 H ALA 173 -2.212 -13.963 0.882 438 HA ALA 173 HA ALA 173 -1.823 -14.983 -1.734 439 1HB ALA 173 1HB ALA 173 -4.295 -14.703 0.004 440 2HB ALA 173 2HB ALA 173 -3.176 -16.065 -0.020 441 3HB ALA 173 3HB ALA 173 -4.201 -15.740 -1.420 442 H ARG 174 H ARG 174 -4.199 -12.519 -0.647 443 HA ARG 174 HA ARG 174 -5.036 -11.873 -3.351 444 1HB ARG 174 2HB ARG 174 -5.339 -10.531 -0.648 445 2HB ARG 174 1HB ARG 174 -6.170 -9.987 -2.106 446 1HG ARG 174 2HG ARG 174 -7.475 -11.934 -2.243 447 2HG ARG 174 1HG ARG 174 -6.368 -12.861 -1.231 448 1HD ARG 174 2HD ARG 174 -7.041 -10.973 0.560 449 2HD ARG 174 1HD ARG 174 -8.521 -10.960 -0.421 450 HE ARG 174 HE ARG 174 -7.431 -13.340 1.005 451 1HH1 ARG 174 1HH1 ARG 174 -8.788 -14.053 -1.574 452 2HH1 ARG 174 2HH1 ARG 174 -10.427 -14.293 -1.065 453 1HH2 ARG 174 1HH2 ARG 174 -10.004 -12.665 1.966 454 2HH2 ARG 174 2HH2 ARG 174 -11.114 -13.509 0.940 Start of MODEL 12 1 1H ARG 113 1HT ARG 113 14.934 24.214 -14.578 2 2H ARG 113 2HT ARG 113 16.357 23.299 -14.727 3 3H ARG 113 3HT ARG 113 15.554 23.387 -13.233 4 HA ARG 113 HA ARG 113 13.895 22.405 -15.392 5 1HB ARG 113 2HB ARG 113 15.095 20.245 -15.480 6 2HB ARG 113 1HB ARG 113 16.141 21.561 -16.015 7 1HG ARG 113 2HG ARG 113 17.630 20.852 -14.476 8 2HG ARG 113 1HG ARG 113 16.522 21.472 -13.252 9 1HD ARG 113 2HD ARG 113 16.564 19.287 -12.523 10 2HD ARG 113 1HD ARG 113 15.357 19.061 -13.804 11 HE ARG 113 HE ARG 113 18.162 18.898 -14.685 12 1HH1 ARG 113 1HH1 ARG 113 15.572 17.641 -15.857 13 2HH1 ARG 113 2HH1 ARG 113 15.891 15.964 -15.563 14 1HH2 ARG 113 1HH2 ARG 113 18.473 16.572 -13.331 15 2HH2 ARG 113 2HH2 ARG 113 17.532 15.359 -14.133 16 H ILE 114 H ILE 114 12.261 22.645 -13.766 17 HA ILE 114 HA ILE 114 12.619 21.380 -11.130 18 HB ILE 114 HB ILE 114 10.275 22.248 -10.849 19 1HG1 ILE 114 2HG1 ILE 114 10.607 23.538 -13.550 20 2HG1 ILE 114 1HG1 ILE 114 9.885 21.934 -13.419 21 1HG2 ILE 114 1HG2 ILE 114 12.629 23.627 -10.888 22 2HG2 ILE 114 2HG2 ILE 114 11.083 24.339 -10.429 23 3HG2 ILE 114 3HG2 ILE 114 11.692 24.540 -12.071 24 1HD1 ILE 114 1HD1 ILE 114 8.620 23.411 -11.418 25 2HD1 ILE 114 2HD1 ILE 114 7.931 22.977 -12.981 26 3HD1 ILE 114 3HD1 ILE 114 8.733 24.533 -12.773 27 H GLU 115 H GLU 115 12.287 19.975 -13.983 28 HA GLU 115 HA GLU 115 11.260 17.996 -14.779 29 1HB GLU 115 2HB GLU 115 11.622 17.745 -11.808 30 2HB GLU 115 1HB GLU 115 10.817 16.443 -12.683 31 1HG GLU 115 2HG GLU 115 12.733 16.171 -14.152 32 2HG GLU 115 1HG GLU 115 13.526 17.575 -13.436 33 H THR 116 H THR 116 9.261 18.783 -15.611 34 HA THR 116 HA THR 116 6.985 19.293 -13.830 35 HB THR 116 HB THR 116 6.556 18.940 -16.730 36 HG1 THR 116 1HG THR 116 7.796 21.124 -16.794 37 1HG2 THR 116 1HG2 THR 116 5.984 20.939 -14.576 38 2HG2 THR 116 2HG2 THR 116 4.870 20.149 -15.693 39 3HG2 THR 116 3HG2 THR 116 5.906 21.459 -16.259 40 H ASP 117 H ASP 117 8.359 16.544 -15.364 41 HA ASP 117 HA ASP 117 5.776 15.037 -15.152 42 1HB ASP 117 2HB ASP 117 8.186 14.967 -16.911 43 2HB ASP 117 1HB ASP 117 7.405 13.423 -16.566 44 H GLU 118 H GLU 118 6.159 14.808 -12.781 45 HA GLU 118 HA GLU 118 8.248 12.734 -12.187 46 1HB GLU 118 2HB GLU 118 8.239 13.863 -9.892 47 2HB GLU 118 1HB GLU 118 8.912 14.821 -11.212 48 1HG GLU 118 2HG GLU 118 6.892 16.103 -11.428 49 2HG GLU 118 1HG GLU 118 6.017 15.015 -10.350 50 H ARG 119 H ARG 119 4.927 13.549 -12.152 51 HA ARG 119 HA ARG 119 4.085 11.976 -9.865 52 1HB ARG 119 2HB ARG 119 2.773 13.132 -12.332 53 2HB ARG 119 1HB ARG 119 1.853 12.207 -11.143 54 1HG ARG 119 2HG ARG 119 3.545 14.190 -9.852 55 2HG ARG 119 1HG ARG 119 2.453 14.940 -11.018 56 1HD ARG 119 2HD ARG 119 0.858 13.045 -9.702 57 2HD ARG 119 1HD ARG 119 1.827 13.796 -8.417 58 HE ARG 119 HE ARG 119 0.841 15.909 -8.948 59 1HH1 ARG 119 1HH2 ARG 119 -1.086 13.484 -10.038 60 2HH1 ARG 119 2HH2 ARG 119 -1.838 14.372 -11.321 61 1HH2 ARG 119 1HH1 ARG 119 0.353 17.050 -11.111 62 2HH2 ARG 119 2HH1 ARG 119 -1.025 16.390 -11.927 63 H ASP 120 H ASP 120 3.270 11.347 -13.285 64 HA ASP 120 HA ASP 120 2.909 9.274 -14.378 65 1HB ASP 120 2HB ASP 120 5.340 9.548 -14.426 66 2HB ASP 120 1HB ASP 120 5.475 8.841 -12.817 67 H SER 121 H SER 121 4.562 7.553 -11.828 68 HA SER 121 HA SER 121 2.018 6.735 -10.537 69 1HB SER 121 2HB SER 121 2.452 4.370 -11.082 70 2HB SER 121 1HB SER 121 2.321 5.323 -12.557 71 HG SER 121 HG SER 121 4.690 5.496 -12.385 72 H THR 122 H THR 122 3.049 7.723 -8.653 73 HA THR 122 HA THR 122 5.145 5.960 -7.439 74 HB THR 122 HB THR 122 5.068 8.957 -7.095 75 HG1 THR 122 1HG THR 122 6.656 8.955 -8.806 76 1HG2 THR 122 1HG2 THR 122 6.625 8.178 -5.601 77 2HG2 THR 122 2HG2 THR 122 7.657 8.237 -7.030 78 3HG2 THR 122 3HG2 THR 122 6.933 6.709 -6.528 79 H ASN 123 H ASN 123 2.735 5.314 -6.649 80 HA ASN 123 HA ASN 123 1.731 7.047 -4.483 81 1HB ASN 123 2HB ASN 123 0.111 5.954 -5.861 82 2HB ASN 123 1HB ASN 123 0.937 4.402 -5.720 83 1HD2 ASN 123 1HD2 ASN 123 -1.441 3.842 -4.966 84 2HD2 ASN 123 2HD2 ASN 123 -1.739 3.982 -3.301 85 H ARG 124 H ARG 124 3.448 3.962 -4.858 86 HA ARG 124 HA ARG 124 3.407 3.419 -1.967 87 1HB ARG 124 2HB ARG 124 3.300 1.700 -3.809 88 2HB ARG 124 1HB ARG 124 4.968 2.113 -4.217 89 1HG ARG 124 2HG ARG 124 5.132 0.232 -2.768 90 2HG ARG 124 1HG ARG 124 5.523 1.625 -1.760 91 1HD ARG 124 2HD ARG 124 3.943 0.692 -0.364 92 2HD ARG 124 1HD ARG 124 2.809 1.528 -1.444 93 HE ARG 124 HE ARG 124 3.483 -0.940 -2.669 94 1HH1 ARG 124 1HH1 ARG 124 2.661 -0.488 0.558 95 2HH1 ARG 124 2HH1 ARG 124 1.244 -1.482 0.517 96 1HH2 ARG 124 1HH2 ARG 124 1.317 -1.907 -2.923 97 2HH2 ARG 124 2HH2 ARG 124 0.483 -2.286 -1.453 98 H ALA 125 H ALA 125 4.800 4.509 -0.644 99 HA ALA 125 HA ALA 125 7.505 5.231 -1.728 100 1HB ALA 125 1HB ALA 125 6.175 6.671 0.544 101 2HB ALA 125 2HB ALA 125 5.610 6.979 -1.099 102 3HB ALA 125 3HB ALA 125 7.291 7.298 -0.669 103 H SER 126 H SER 126 9.211 4.382 -0.585 104 HA SER 126 HA SER 126 8.792 3.561 2.252 105 1HB SER 126 2HB SER 126 10.081 1.407 1.455 106 2HB SER 126 1HB SER 126 8.346 1.528 1.183 107 HG SER 126 HG SER 126 10.480 1.914 -0.625 108 H PHE 127 H PHE 127 10.498 4.346 3.418 109 HA PHE 127 HA PHE 127 13.128 4.705 2.013 110 1HB PHE 127 2HB PHE 127 11.908 6.382 4.227 111 2HB PHE 127 1HB PHE 127 13.376 6.744 3.320 112 HD1 PHE 127 1HD PHE 127 9.750 6.908 3.358 113 HD2 PHE 127 2HD PHE 127 13.222 7.220 0.848 114 HE1 PHE 127 1HE PHE 127 8.396 8.060 1.630 115 HE2 PHE 127 2HE PHE 127 11.867 8.372 -0.882 116 HZ PHE 127 HZ PHE 127 9.454 8.793 -0.490 117 H LYS 128 H LYS 128 14.997 4.214 3.281 118 HA LYS 128 HA LYS 128 14.461 2.902 5.910 119 1HB LYS 128 2HB LYS 128 14.825 1.132 4.395 120 2HB LYS 128 1HB LYS 128 16.052 2.032 3.507 121 1HG LYS 128 2HG LYS 128 17.712 1.413 4.932 122 2HG LYS 128 1HG LYS 128 16.689 1.614 6.355 123 1HD LYS 128 2HD LYS 128 15.825 -0.619 4.679 124 2HD LYS 128 1HD LYS 128 17.481 -0.814 5.255 125 1HE LYS 128 2HE LYS 128 16.765 -1.252 7.363 126 2HE LYS 128 1HE LYS 128 15.724 0.186 7.365 127 1HZ LYS 128 1HZ LYS 128 15.130 -2.506 6.294 128 2HZ LYS 128 2HZ LYS 128 14.266 -1.137 5.777 129 3HZ LYS 128 3HZ LYS 128 14.235 -1.599 7.412 130 H CYS 129 H CYS 129 15.983 3.336 7.523 131 HA CYS 129 HA CYS 129 17.838 5.573 7.007 132 1HB CYS 129 2HB CYS 129 16.276 5.516 8.933 133 2HB CYS 129 1HB CYS 129 17.066 4.052 9.516 134 HA PRO 130 HA PRO 130 21.234 2.746 6.735 135 1HB PRO 130 2HB PRO 130 23.224 4.609 6.636 136 2HB PRO 130 1HB PRO 130 22.155 4.265 5.263 137 1HG PRO 130 2HG PRO 130 22.141 6.549 7.143 138 2HG PRO 130 1HG PRO 130 21.667 6.480 5.441 139 1HD PRO 130 2HD PRO 130 19.928 6.489 7.621 140 2HD PRO 130 1HD PRO 130 19.511 6.023 5.959 141 H VAL 131 H VAL 131 20.965 5.191 9.255 142 HA VAL 131 HA VAL 131 23.229 4.126 10.790 143 HB VAL 131 HB VAL 131 21.153 6.280 11.144 144 1HG1 VAL 131 1HG1 VAL 131 23.258 5.485 13.180 145 2HG1 VAL 131 2HG1 VAL 131 21.534 5.158 13.351 146 3HG1 VAL 131 3HG1 VAL 131 22.117 6.823 13.317 147 1HG2 VAL 131 1HG2 VAL 131 23.370 6.426 9.759 148 2HG2 VAL 131 2HG2 VAL 131 24.152 6.515 11.338 149 3HG2 VAL 131 3HG2 VAL 131 22.977 7.742 10.866 150 H CYS 132 H CYS 132 19.874 4.679 11.896 151 HA CYS 132 HA CYS 132 20.138 2.358 13.690 152 1HB CYS 132 2HB CYS 132 18.195 3.245 14.731 153 2HB CYS 132 1HB CYS 132 19.111 4.654 14.204 154 H SER 133 H SER 133 19.784 2.256 10.594 155 HA SER 133 HA SER 133 18.656 0.905 9.026 156 1HB SER 133 2HB SER 133 18.158 -1.388 10.191 157 2HB SER 133 1HB SER 133 19.820 -0.824 10.067 158 HG SER 133 HG SER 133 19.875 -0.563 12.160 159 H SER 134 H SER 134 16.873 2.686 10.838 160 HA SER 134 HA SER 134 14.410 1.171 11.179 161 1HB SER 134 2HB SER 134 15.259 4.062 11.240 162 2HB SER 134 1HB SER 134 13.554 3.630 11.359 163 HG SER 134 HG SER 134 14.087 3.443 13.405 164 H THR 135 H THR 135 12.395 2.512 9.976 165 HA THR 135 HA THR 135 13.080 2.987 7.131 166 HB THR 135 HB THR 135 11.024 0.906 7.861 167 HG1 THR 135 1HG THR 135 13.791 0.522 7.368 168 1HG2 THR 135 1HG2 THR 135 11.119 1.912 5.560 169 2HG2 THR 135 2HG2 THR 135 11.393 0.169 5.583 170 3HG2 THR 135 3HG2 THR 135 12.755 1.275 5.402 171 H PHE 136 H PHE 136 11.164 3.750 5.897 172 HA PHE 136 HA PHE 136 8.863 4.671 7.541 173 1HB PHE 136 2HB PHE 136 10.537 6.514 5.812 174 2HB PHE 136 1HB PHE 136 9.237 6.973 6.910 175 HD1 PHE 136 1HD PHE 136 12.764 6.150 6.608 176 HD2 PHE 136 2HD PHE 136 9.528 6.664 9.386 177 HE1 PHE 136 1HE PHE 136 14.391 6.346 8.470 178 HE2 PHE 136 2HE PHE 136 11.155 6.859 11.246 179 HZ PHE 136 HZ PHE 136 13.587 6.702 10.789 180 H THR 137 H THR 137 7.275 5.859 5.957 181 HA THR 137 HA THR 137 7.361 4.589 3.243 182 HB THR 137 HB THR 137 4.680 4.699 4.010 183 HG1 THR 137 1HG THR 137 4.771 4.780 6.100 184 1HG2 THR 137 1HG2 THR 137 6.488 2.837 3.085 185 2HG2 THR 137 2HG2 THR 137 4.793 2.510 3.448 186 3HG2 THR 137 3HG2 THR 137 6.035 2.176 4.657 187 H ASP 138 H ASP 138 4.848 5.687 2.434 188 HA ASP 138 HA ASP 138 5.623 8.332 1.634 189 1HB ASP 138 2HB ASP 138 3.170 8.381 0.916 190 2HB ASP 138 1HB ASP 138 4.117 7.026 0.304 191 H LEU 139 H LEU 139 3.247 7.190 4.060 192 HA LEU 139 HA LEU 139 2.275 9.679 4.955 193 1HB LEU 139 2HB LEU 139 2.706 6.946 6.093 194 2HB LEU 139 1HB LEU 139 2.262 8.235 7.213 195 HG LEU 139 HG LEU 139 0.734 7.399 4.732 196 1HD1 LEU 139 1HD1 LEU 139 -0.502 6.121 6.119 197 2HD1 LEU 139 2HD1 LEU 139 -0.709 7.460 7.248 198 3HD1 LEU 139 3HD1 LEU 139 0.707 6.416 7.369 199 1HD2 LEU 139 1HD2 LEU 139 0.008 9.547 4.737 200 2HD2 LEU 139 2HD2 LEU 139 0.766 9.878 6.293 201 3HD2 LEU 139 3HD2 LEU 139 -0.834 9.140 6.231 202 H GLU 140 H GLU 140 5.191 7.901 5.967 203 HA GLU 140 HA GLU 140 6.008 9.963 7.877 204 1HB GLU 140 2HB GLU 140 7.521 7.639 6.637 205 2HB GLU 140 1HB GLU 140 7.938 8.479 8.131 206 1HG GLU 140 2HG GLU 140 5.191 7.601 8.243 207 2HG GLU 140 1HG GLU 140 6.240 6.237 7.850 208 H ALA 141 H ALA 141 6.234 9.518 4.490 209 HA ALA 141 HA ALA 141 8.770 10.857 4.022 210 1HB ALA 141 1HB ALA 141 8.311 9.962 1.998 211 2HB ALA 141 2HB ALA 141 6.925 11.039 1.824 212 3HB ALA 141 3HB ALA 141 6.729 9.467 2.598 213 H ASN 142 H ASN 142 5.381 11.885 4.241 214 HA ASN 142 HA ASN 142 5.932 14.615 3.339 215 1HB ASN 142 2HB ASN 142 3.533 13.562 4.855 216 2HB ASN 142 1HB ASN 142 3.583 14.897 3.703 217 1HD2 ASN 142 1HD2 ASN 142 1.960 12.352 3.576 218 2HD2 ASN 142 2HD2 ASN 142 2.385 11.626 2.102 219 H GLN 143 H GLN 143 6.344 12.919 6.273 220 HA GLN 143 HA GLN 143 6.188 15.441 7.878 221 1HB GLN 143 2HB GLN 143 5.788 14.004 9.738 222 2HB GLN 143 1HB GLN 143 4.869 13.289 8.414 223 1HG GLN 143 2HG GLN 143 6.726 11.721 7.971 224 2HG GLN 143 1HG GLN 143 7.639 12.429 9.305 225 1HE2 GLN 143 1HE2 GLN 143 4.127 11.674 9.175 226 2HE2 GLN 143 2HE2 GLN 143 4.158 10.589 10.479 227 H LEU 144 H LEU 144 8.325 12.847 6.822 228 HA LEU 144 HA LEU 144 10.534 13.755 8.566 229 1HB LEU 144 2HB LEU 144 10.206 11.602 6.454 230 2HB LEU 144 1HB LEU 144 11.689 11.844 7.377 231 HG LEU 144 HG LEU 144 8.957 11.235 8.544 232 1HD1 LEU 144 1HD1 LEU 144 9.816 9.059 9.035 233 2HD1 LEU 144 2HD1 LEU 144 11.458 9.533 8.600 234 3HD1 LEU 144 3HD1 LEU 144 10.229 9.366 7.347 235 1HD2 LEU 144 1HD2 LEU 144 10.887 10.819 10.487 236 2HD2 LEU 144 2HD2 LEU 144 9.842 12.236 10.377 237 3HD2 LEU 144 3HD2 LEU 144 11.458 12.277 9.674 238 H PHE 145 H PHE 145 9.465 14.047 5.227 239 HA PHE 145 HA PHE 145 11.916 14.856 4.009 240 1HB PHE 145 2HB PHE 145 9.772 14.203 2.891 241 2HB PHE 145 1HB PHE 145 9.068 15.730 3.419 242 HD1 PHE 145 1HD PHE 145 9.843 17.870 2.484 243 HD2 PHE 145 2HD PHE 145 11.445 14.122 1.131 244 HE1 PHE 145 1HE PHE 145 10.819 19.002 0.505 245 HE2 PHE 145 2HE PHE 145 12.422 15.254 -0.848 246 HZ PHE 145 HZ PHE 145 12.109 17.694 -1.161 247 H ASP 146 H ASP 146 13.115 16.665 4.433 248 HA ASP 146 HA ASP 146 11.708 19.053 5.588 249 1HB ASP 146 2HB ASP 146 14.540 18.021 5.967 250 2HB ASP 146 1HB ASP 146 13.872 19.464 6.733 251 HA PRO 147 HA PRO 147 13.161 21.152 1.989 252 1HB PRO 147 2HB PRO 147 12.759 23.713 2.862 253 2HB PRO 147 1HB PRO 147 11.434 22.647 2.358 254 1HG PRO 147 2HG PRO 147 12.346 23.368 5.091 255 2HG PRO 147 1HG PRO 147 10.707 23.092 4.483 256 1HD PRO 147 2HD PRO 147 12.140 21.264 5.945 257 2HD PRO 147 1HD PRO 147 10.826 20.841 4.827 258 H MET 148 H MET 148 14.762 20.975 4.902 259 HA MET 148 HA MET 148 16.735 23.090 4.573 260 1HB MET 148 2HB MET 148 17.719 22.064 6.507 261 2HB MET 148 1HB MET 148 15.974 21.888 6.697 262 1HG MET 148 2HG MET 148 16.504 19.618 5.329 263 2HG MET 148 1HG MET 148 18.040 19.815 6.173 264 1HE MET 148 1HE MET 148 17.732 18.832 9.469 265 2HE MET 148 2HE MET 148 17.584 20.582 9.329 266 3HE MET 148 3HE MET 148 18.570 19.693 8.171 267 H THR 149 H THR 149 16.219 20.172 2.938 268 HA THR 149 HA THR 149 18.888 20.320 1.690 269 HB THR 149 HB THR 149 19.221 18.974 3.733 270 HG1 THR 149 1HG THR 149 19.987 17.098 2.664 271 1HG2 THR 149 1HG2 THR 149 17.105 17.155 2.550 272 2HG2 THR 149 2HG2 THR 149 16.861 18.218 3.935 273 3HG2 THR 149 3HG2 THR 149 18.001 16.877 4.043 274 H GLY 150 H GLY 150 15.836 18.526 2.001 275 1HA GLY 150 2HA GLY 150 14.382 18.364 -0.005 276 2HA GLY 150 1HA GLY 150 15.849 18.193 -0.971 277 H THR 151 H THR 151 15.223 16.568 2.113 278 HA THR 151 HA THR 151 14.665 14.005 0.737 279 HB THR 151 HB THR 151 16.716 13.243 2.373 280 HG1 THR 151 1HG THR 151 17.878 14.910 2.820 281 1HG2 THR 151 1HG2 THR 151 16.256 13.633 -0.446 282 2HG2 THR 151 2HG2 THR 151 17.250 12.416 0.354 283 3HG2 THR 151 3HG2 THR 151 17.940 13.985 -0.059 284 H PHE 152 H PHE 152 14.427 12.228 2.503 285 HA PHE 152 HA PHE 152 12.807 13.365 4.707 286 1HB PHE 152 2HB PHE 152 13.328 10.464 4.016 287 2HB PHE 152 1HB PHE 152 11.927 11.144 4.843 288 HD1 PHE 152 1HD PHE 152 10.198 12.368 3.605 289 HD2 PHE 152 2HD PHE 152 13.586 10.651 1.598 290 HE1 PHE 152 1HE PHE 152 9.053 12.658 1.423 291 HE2 PHE 152 2HE PHE 152 12.441 10.942 -0.583 292 HZ PHE 152 HZ PHE 152 10.175 11.945 -0.670 293 H ARG 153 H ARG 153 13.574 13.466 6.794 294 HA ARG 153 HA ARG 153 16.216 12.184 7.360 295 1HB ARG 153 2HB ARG 153 14.700 14.588 8.295 296 2HB ARG 153 1HB ARG 153 15.819 13.833 9.433 297 1HG ARG 153 2HG ARG 153 17.669 14.103 7.924 298 2HG ARG 153 1HG ARG 153 16.602 14.587 6.607 299 1HD ARG 153 2HD ARG 153 16.807 16.744 7.259 300 2HD ARG 153 1HD ARG 153 16.094 16.325 8.829 301 HE ARG 153 HE ARG 153 18.275 16.379 9.721 302 1HH1 ARG 153 1HH1 ARG 153 19.050 17.754 7.039 303 2HH1 ARG 153 2HH1 ARG 153 20.453 16.827 6.621 304 1HH2 ARG 153 1HH2 ARG 153 19.781 14.294 8.891 305 2HH2 ARG 153 2HH2 ARG 153 20.866 14.869 7.670 306 H CYS 154 H CYS 154 16.403 10.685 9.015 307 HA CYS 154 HA CYS 154 14.356 9.003 9.829 308 1HB CYS 154 2HB CYS 154 16.907 8.948 10.177 309 2HB CYS 154 1HB CYS 154 16.605 9.898 11.631 310 H THR 155 H THR 155 13.470 8.828 12.177 311 HA THR 155 HA THR 155 12.595 11.550 13.090 312 HB THR 155 HB THR 155 10.845 9.452 13.954 313 HG1 THR 155 1HG THR 155 10.331 8.524 12.006 314 1HG2 THR 155 1HG2 THR 155 9.584 10.801 11.895 315 2HG2 THR 155 2HG2 THR 155 10.795 11.960 12.445 316 3HG2 THR 155 3HG2 THR 155 9.615 11.310 13.584 317 H PHE 156 H PHE 156 14.192 8.627 14.002 318 HA PHE 156 HA PHE 156 13.955 9.375 16.879 319 1HB PHE 156 2HB PHE 156 15.040 6.784 16.626 320 2HB PHE 156 1HB PHE 156 13.440 7.216 17.197 321 HD1 PHE 156 1HD PHE 156 11.523 6.625 15.967 322 HD2 PHE 156 2HD PHE 156 15.375 6.543 14.076 323 HE1 PHE 156 1HE PHE 156 10.514 5.578 13.959 324 HE2 PHE 156 2HE PHE 156 14.368 5.506 12.068 325 HZ PHE 156 HZ PHE 156 11.938 5.016 12.008 326 H CYS 157 H CYS 157 16.208 8.430 14.320 327 HA CYS 157 HA CYS 157 18.429 9.341 16.107 328 1HB CYS 157 2HB CYS 157 19.589 7.474 15.498 329 2HB CYS 157 1HB CYS 157 18.004 6.859 15.057 330 H HIS 158 H HIS 158 16.585 10.649 13.991 331 HA HIS 158 HA HIS 158 16.764 12.139 12.149 332 1HB HIS 158 2HB HIS 158 18.811 12.797 14.253 333 2HB HIS 158 1HB HIS 158 18.581 13.856 12.861 334 HD1 HIS 158 1HD HIS 158 16.408 15.217 12.735 335 HD2 HIS 158 2HD HIS 158 16.525 12.632 16.002 336 HE1 HIS 158 1HE HIS 158 14.447 15.839 14.212 337 H THR 159 H THR 159 18.384 9.645 11.610 338 HA THR 159 HA THR 159 20.787 10.735 10.254 339 HB THR 159 HB THR 159 19.600 7.994 10.715 340 HG1 THR 159 1HG THR 159 21.049 9.447 12.184 341 1HG2 THR 159 1HG2 THR 159 21.359 7.003 9.454 342 2HG2 THR 159 2HG2 THR 159 22.208 8.539 9.296 343 3HG2 THR 159 3HG2 THR 159 20.703 8.266 8.420 344 H GLU 160 H GLU 160 20.816 11.141 8.047 345 HA GLU 160 HA GLU 160 18.550 11.449 6.454 346 1HB GLU 160 2HB GLU 160 20.718 12.288 5.809 347 2HB GLU 160 1HB GLU 160 21.396 10.659 5.772 348 1HG GLU 160 2HG GLU 160 20.240 10.084 3.808 349 2HG GLU 160 1HG GLU 160 19.059 11.377 4.015 350 H VAL 161 H VAL 161 17.169 10.034 5.420 351 HA VAL 161 HA VAL 161 17.772 7.120 5.620 352 HB VAL 161 HB VAL 161 15.323 6.938 5.224 353 1HG1 VAL 161 1HG1 VAL 161 16.077 8.994 7.323 354 2HG1 VAL 161 2HG1 VAL 161 16.192 7.246 7.522 355 3HG1 VAL 161 3HG1 VAL 161 14.615 8.009 7.324 356 1HG2 VAL 161 1HG2 VAL 161 15.736 9.639 4.286 357 2HG2 VAL 161 2HG2 VAL 161 14.528 9.632 5.569 358 3HG2 VAL 161 3HG2 VAL 161 14.298 8.628 4.138 359 H GLU 162 H GLU 162 17.088 5.774 3.708 360 HA GLU 162 HA GLU 162 17.380 7.233 1.105 361 1HB GLU 162 2HB GLU 162 18.682 4.615 1.926 362 2HB GLU 162 1HB GLU 162 18.931 5.474 0.405 363 1HG GLU 162 2HG GLU 162 19.417 7.365 2.442 364 2HG GLU 162 1HG GLU 162 20.236 5.887 2.950 365 H GLU 163 H GLU 163 15.847 6.601 -0.386 366 HA GLU 163 HA GLU 163 13.584 5.092 0.153 367 1HB GLU 163 2HB GLU 163 14.719 6.396 -2.003 368 2HB GLU 163 1HB GLU 163 14.638 4.727 -2.572 369 1HG GLU 163 2HG GLU 163 12.250 5.918 -1.199 370 2HG GLU 163 1HG GLU 163 12.562 6.325 -2.886 371 H ASP 164 H ASP 164 13.476 3.012 0.889 372 HA ASP 164 HA ASP 164 15.613 1.075 0.330 373 1HB ASP 164 2HB ASP 164 14.535 1.241 2.523 374 2HB ASP 164 1HB ASP 164 12.959 0.926 1.796 375 H GLU 165 H GLU 165 15.542 0.335 -1.799 376 HA GLU 165 HA GLU 165 13.036 -0.166 -3.205 377 1HB GLU 165 2HB GLU 165 15.984 -0.583 -3.667 378 2HB GLU 165 1HB GLU 165 14.813 -1.297 -4.777 379 1HG GLU 165 2HG GLU 165 13.825 0.905 -5.196 380 2HG GLU 165 1HG GLU 165 14.932 1.641 -4.037 381 H SER 166 H SER 166 14.911 -1.906 -0.930 382 HA SER 166 HA SER 166 13.987 -4.566 -1.873 383 1HB SER 166 2HB SER 166 15.519 -4.076 0.654 384 2HB SER 166 1HB SER 166 15.694 -5.378 -0.518 385 HG SER 166 HG SER 166 17.387 -3.755 -0.551 386 H ALA 167 H ALA 167 11.881 -2.837 -1.036 387 HA ALA 167 HA ALA 167 11.192 -3.736 1.722 388 1HB ALA 167 1HB ALA 167 11.069 -1.317 0.659 389 2HB ALA 167 2HB ALA 167 9.800 -1.860 1.755 390 3HB ALA 167 3HB ALA 167 9.537 -1.904 0.012 391 H MET 168 H MET 168 10.909 -5.999 0.682 392 HA MET 168 HA MET 168 8.155 -6.224 -0.492 393 1HB MET 168 2HB MET 168 10.764 -7.642 -1.034 394 2HB MET 168 1HB MET 168 9.224 -8.378 -1.482 395 1HG MET 168 2HG MET 168 8.755 -6.020 -2.566 396 2HG MET 168 1HG MET 168 10.514 -5.888 -2.551 397 1HE MET 168 1HE MET 168 11.904 -8.171 -3.064 398 2HE MET 168 2HE MET 168 11.382 -9.397 -4.216 399 3HE MET 168 3HE MET 168 10.666 -9.348 -2.606 400 HA PRO 169 HA PRO 169 8.399 -8.506 3.537 401 1HB PRO 169 2HB PRO 169 6.068 -7.497 4.559 402 2HB PRO 169 1HB PRO 169 7.638 -6.691 4.752 403 1HG PRO 169 2HG PRO 169 5.423 -6.090 2.862 404 2HG PRO 169 1HG PRO 169 6.505 -4.985 3.724 405 1HD PRO 169 2HD PRO 169 6.793 -5.652 1.086 406 2HD PRO 169 1HD PRO 169 8.134 -5.132 2.130 407 H LYS 170 H LYS 170 6.454 -8.403 0.794 408 HA LYS 170 HA LYS 170 4.925 -9.960 -0.119 409 1HB LYS 170 2HB LYS 170 6.648 -11.310 1.814 410 2HB LYS 170 1HB LYS 170 5.079 -12.103 1.672 411 1HG LYS 170 2HG LYS 170 5.484 -11.810 -0.912 412 2HG LYS 170 1HG LYS 170 7.175 -11.669 -0.433 413 1HD LYS 170 2HD LYS 170 6.356 -13.837 1.042 414 2HD LYS 170 1HD LYS 170 5.422 -14.034 -0.441 415 1HE LYS 170 2HE LYS 170 7.333 -14.255 -1.775 416 2HE LYS 170 1HE LYS 170 8.361 -13.392 -0.612 417 1HZ LYS 170 1HZ LYS 170 8.847 -15.661 -0.307 418 2HZ LYS 170 2HZ LYS 170 7.210 -16.112 -0.361 419 3HZ LYS 170 3HZ LYS 170 7.814 -15.256 0.977 420 H LYS 171 H LYS 171 4.591 -10.983 3.264 421 HA LYS 171 HA LYS 171 1.783 -9.921 3.225 422 1HB LYS 171 2HB LYS 171 2.354 -12.475 3.119 423 2HB LYS 171 1HB LYS 171 2.732 -12.287 4.833 424 1HG LYS 171 2HG LYS 171 0.290 -10.952 4.490 425 2HG LYS 171 1HG LYS 171 0.136 -12.428 3.535 426 1HD LYS 171 2HD LYS 171 1.111 -13.635 5.603 427 2HD LYS 171 1HD LYS 171 0.728 -12.154 6.481 428 1HE LYS 171 2HE LYS 171 -1.600 -12.654 5.033 429 2HE LYS 171 1HE LYS 171 -1.077 -14.265 5.563 430 1HZ LYS 171 1HZ LYS 171 -2.173 -13.495 7.424 431 2HZ LYS 171 2HZ LYS 171 -1.683 -11.885 7.189 432 3HZ LYS 171 3HZ LYS 171 -0.577 -13.037 7.770 433 H ASP 172 H ASP 172 1.827 -8.127 4.554 434 HA ASP 172 HA ASP 172 3.691 -7.832 6.766 435 1HB ASP 172 2HB ASP 172 2.401 -5.747 7.108 436 2HB ASP 172 1HB ASP 172 2.789 -5.974 5.403 437 H ALA 173 H ALA 173 2.764 -7.306 9.027 438 HA ALA 173 HA ALA 173 1.509 -7.961 10.927 439 1HB ALA 173 1HB ALA 173 -0.765 -8.117 10.537 440 2HB ALA 173 2HB ALA 173 -0.556 -9.192 9.156 441 3HB ALA 173 3HB ALA 173 -0.267 -7.461 8.977 442 H ARG 174 H ARG 174 2.607 -9.658 11.887 443 HA ARG 174 HA ARG 174 2.489 -12.351 10.599 444 1HB ARG 174 2HB ARG 174 4.504 -10.807 11.778 445 2HB ARG 174 1HB ARG 174 4.147 -12.049 12.980 446 1HG ARG 174 2HG ARG 174 5.086 -13.671 11.720 447 2HG ARG 174 1HG ARG 174 4.240 -13.133 10.270 448 1HD ARG 174 2HD ARG 174 6.711 -12.914 10.019 449 2HD ARG 174 1HD ARG 174 5.918 -11.326 9.966 450 HE ARG 174 HE ARG 174 6.715 -10.884 12.195 451 1HH1 ARG 174 1HH2 ARG 174 8.509 -13.176 10.585 452 2HH1 ARG 174 2HH2 ARG 174 9.235 -13.875 11.993 453 1HH2 ARG 174 1HH1 ARG 174 7.212 -12.149 14.218 454 2HH2 ARG 174 2HH1 ARG 174 8.499 -13.295 14.050 Start of MODEL 13 1 1H ARG 113 1HT ARG 113 0.263 -9.754 8.788 2 2H ARG 113 2HT ARG 113 -1.183 -8.928 9.129 3 3H ARG 113 3HT ARG 113 0.190 -8.069 8.615 4 HA ARG 113 HA ARG 113 -0.905 -8.155 6.628 5 1HB ARG 113 2HB ARG 113 0.644 -10.729 7.022 6 2HB ARG 113 1HB ARG 113 0.054 -10.211 5.443 7 1HG ARG 113 2HG ARG 113 1.239 -7.927 6.181 8 2HG ARG 113 1HG ARG 113 2.215 -9.042 7.137 9 1HD ARG 113 2HD ARG 113 1.785 -9.997 4.396 10 2HD ARG 113 1HD ARG 113 2.653 -8.451 4.465 11 HE ARG 113 HE ARG 113 3.490 -10.840 6.068 12 1HH1 ARG 113 1HH2 ARG 113 4.187 -7.643 5.302 13 2HH1 ARG 113 2HH2 ARG 113 5.862 -7.910 4.950 14 1HH2 ARG 113 1HH1 ARG 113 5.626 -11.364 5.136 15 2HH2 ARG 113 2HH1 ARG 113 6.678 -10.015 4.859 16 H ILE 114 H ILE 114 -3.031 -8.459 6.103 17 HA ILE 114 HA ILE 114 -4.279 -11.115 6.737 18 HB ILE 114 HB ILE 114 -6.294 -9.873 7.339 19 1HG1 ILE 114 2HG1 ILE 114 -4.761 -7.316 6.834 20 2HG1 ILE 114 1HG1 ILE 114 -5.786 -8.046 5.596 21 1HG2 ILE 114 1HG2 ILE 114 -4.484 -8.135 8.813 22 2HG2 ILE 114 2HG2 ILE 114 -3.867 -9.785 8.735 23 3HG2 ILE 114 3HG2 ILE 114 -5.470 -9.474 9.401 24 1HD1 ILE 114 1HD1 ILE 114 -7.403 -6.757 6.576 25 2HD1 ILE 114 2HD1 ILE 114 -6.549 -6.678 8.118 26 3HD1 ILE 114 3HD1 ILE 114 -7.489 -8.111 7.702 27 H GLU 115 H GLU 115 -3.048 -10.292 4.207 28 HA GLU 115 HA GLU 115 -3.564 -10.394 1.904 29 1HB GLU 115 2HB GLU 115 -5.377 -11.984 3.360 30 2HB GLU 115 1HB GLU 115 -6.367 -11.084 2.209 31 1HG GLU 115 2HG GLU 115 -5.391 -12.079 0.378 32 2HG GLU 115 1HG GLU 115 -3.831 -12.264 1.180 33 H THR 116 H THR 116 -3.433 -8.044 1.712 34 HA THR 116 HA THR 116 -4.294 -5.912 1.161 35 HB THR 116 HB THR 116 -6.927 -6.956 0.411 36 HG1 THR 116 1HG THR 116 -6.306 -8.788 -0.356 37 1HG2 THR 116 1HG2 THR 116 -4.916 -6.274 -1.639 38 2HG2 THR 116 2HG2 THR 116 -5.218 -5.008 -0.448 39 3HG2 THR 116 3HG2 THR 116 -6.550 -5.650 -1.410 40 H ASP 117 H ASP 117 -6.866 -4.858 1.331 41 HA ASP 117 HA ASP 117 -8.069 -5.477 3.934 42 1HB ASP 117 2HB ASP 117 -5.960 -4.255 4.473 43 2HB ASP 117 1HB ASP 117 -6.530 -2.896 3.501 44 H GLU 118 H GLU 118 -7.701 -3.009 1.370 45 HA GLU 118 HA GLU 118 -10.579 -2.977 0.868 46 1HB GLU 118 2HB GLU 118 -9.339 -1.223 2.831 47 2HB GLU 118 1HB GLU 118 -10.104 -0.290 1.546 48 1HG GLU 118 2HG GLU 118 -11.695 -2.580 2.522 49 2HG GLU 118 1HG GLU 118 -11.445 -1.294 3.704 50 H ARG 119 H ARG 119 -7.842 -0.663 0.659 51 HA ARG 119 HA ARG 119 -8.510 -0.145 -2.184 52 1HB ARG 119 2HB ARG 119 -7.634 1.372 -0.044 53 2HB ARG 119 1HB ARG 119 -6.154 1.138 -0.973 54 1HG ARG 119 2HG ARG 119 -6.854 2.515 -2.621 55 2HG ARG 119 1HG ARG 119 -8.446 1.756 -2.678 56 1HD ARG 119 2HD ARG 119 -9.192 3.084 -0.758 57 2HD ARG 119 1HD ARG 119 -7.576 3.801 -0.602 58 HE ARG 119 HE ARG 119 -9.040 4.074 -3.186 59 1HH1 ARG 119 1HH2 ARG 119 -9.184 5.705 -0.346 60 2HH1 ARG 119 2HH2 ARG 119 -8.506 7.193 -0.918 61 1HH2 ARG 119 1HH1 ARG 119 -7.473 5.862 -3.950 62 2HH2 ARG 119 2HH1 ARG 119 -7.538 7.282 -2.961 63 H ASP 120 H ASP 120 -7.267 -0.938 -3.871 64 HA ASP 120 HA ASP 120 -5.320 -3.026 -3.364 65 1HB ASP 120 2HB ASP 120 -5.965 -1.479 -5.896 66 2HB ASP 120 1HB ASP 120 -5.219 -3.075 -5.807 67 H SER 121 H SER 121 -4.116 -1.176 -1.939 68 HA SER 121 HA SER 121 -1.956 -0.066 -3.704 69 1HB SER 121 2HB SER 121 -3.775 1.181 -1.753 70 2HB SER 121 1HB SER 121 -2.081 1.595 -1.505 71 HG SER 121 HG SER 121 -3.292 1.671 -4.059 72 H THR 122 H THR 122 0.061 -0.738 -3.085 73 HA THR 122 HA THR 122 0.567 -1.440 -0.237 74 HB THR 122 HB THR 122 -0.174 -3.512 -1.258 75 HG1 THR 122 1HG THR 122 1.437 -4.333 -0.221 76 1HG2 THR 122 1HG2 THR 122 1.975 -3.281 -3.349 77 2HG2 THR 122 2HG2 THR 122 0.390 -2.557 -3.617 78 3HG2 THR 122 3HG2 THR 122 0.532 -4.295 -3.352 79 H ASN 123 H ASN 123 1.856 -1.011 -3.527 80 HA ASN 123 HA ASN 123 4.629 -0.967 -2.925 81 1HB ASN 123 2HB ASN 123 3.792 -1.053 -5.184 82 2HB ASN 123 1HB ASN 123 2.907 0.459 -4.973 83 1HD2 ASN 123 1HD2 ASN 123 5.950 -0.894 -5.902 84 2HD2 ASN 123 2HD2 ASN 123 6.799 0.568 -6.053 85 H ARG 124 H ARG 124 2.640 1.953 -3.547 86 HA ARG 124 HA ARG 124 2.992 4.176 -2.782 87 1HB ARG 124 2HB ARG 124 3.266 2.446 -0.304 88 2HB ARG 124 1HB ARG 124 2.976 4.185 -0.272 89 1HG ARG 124 2HG ARG 124 1.171 2.277 -1.771 90 2HG ARG 124 1HG ARG 124 0.902 2.698 -0.080 91 1HD ARG 124 2HD ARG 124 0.158 4.799 -0.597 92 2HD ARG 124 1HD ARG 124 1.362 5.008 -1.884 93 HE ARG 124 HE ARG 124 -1.223 3.551 -2.178 94 1HH1 ARG 124 1HH1 ARG 124 0.051 6.053 -3.646 95 2HH1 ARG 124 2HH1 ARG 124 0.304 5.350 -5.209 96 1HH2 ARG 124 1HH2 ARG 124 -0.180 2.095 -4.116 97 2HH2 ARG 124 2HH2 ARG 124 0.174 3.109 -5.476 98 H ALA 125 H ALA 125 4.592 5.212 -0.771 99 HA ALA 125 HA ALA 125 7.296 4.880 -1.941 100 1HB ALA 125 1HB ALA 125 6.759 6.767 0.287 101 2HB ALA 125 2HB ALA 125 5.802 7.022 -1.171 102 3HB ALA 125 3HB ALA 125 7.563 7.054 -1.255 103 H SER 126 H SER 126 9.144 4.384 -0.605 104 HA SER 126 HA SER 126 8.630 3.509 2.189 105 1HB SER 126 2HB SER 126 9.412 1.264 1.731 106 2HB SER 126 1HB SER 126 8.139 1.632 0.572 107 HG SER 126 HG SER 126 9.950 0.735 -0.464 108 H PHE 127 H PHE 127 10.231 4.619 3.247 109 HA PHE 127 HA PHE 127 12.943 4.752 1.972 110 1HB PHE 127 2HB PHE 127 11.788 6.513 4.149 111 2HB PHE 127 1HB PHE 127 13.186 6.844 3.126 112 HD1 PHE 127 1HD PHE 127 12.892 7.368 0.720 113 HD2 PHE 127 2HD PHE 127 9.538 6.857 3.353 114 HE1 PHE 127 1HE PHE 127 11.415 8.448 -0.953 115 HE2 PHE 127 2HE PHE 127 8.060 7.937 1.681 116 HZ PHE 127 HZ PHE 127 8.998 8.733 -0.473 117 H LYS 128 H LYS 128 14.754 4.246 3.304 118 HA LYS 128 HA LYS 128 14.111 3.044 5.960 119 1HB LYS 128 2HB LYS 128 14.430 1.189 4.556 120 2HB LYS 128 1HB LYS 128 15.671 2.004 3.609 121 1HG LYS 128 2HG LYS 128 17.330 1.386 5.034 122 2HG LYS 128 1HG LYS 128 16.347 1.716 6.461 123 1HD LYS 128 2HD LYS 128 15.097 -0.488 5.332 124 2HD LYS 128 1HD LYS 128 16.809 -0.818 5.071 125 1HE LYS 128 2HE LYS 128 16.859 0.087 7.653 126 2HE LYS 128 1HE LYS 128 15.285 -0.731 7.605 127 1HZ LYS 128 1HZ LYS 128 16.222 -2.723 7.050 128 2HZ LYS 128 2HZ LYS 128 17.481 -2.088 7.998 129 3HZ LYS 128 3HZ LYS 128 17.573 -2.022 6.302 130 H CYS 129 H CYS 129 15.706 3.344 7.563 131 HA CYS 129 HA CYS 129 17.616 5.541 7.040 132 1HB CYS 129 2HB CYS 129 16.029 5.580 8.939 133 2HB CYS 129 1HB CYS 129 16.741 4.095 9.559 134 HA PRO 130 HA PRO 130 20.902 2.570 6.796 135 1HB PRO 130 2HB PRO 130 22.965 4.355 6.698 136 2HB PRO 130 1HB PRO 130 21.899 4.031 5.317 137 1HG PRO 130 2HG PRO 130 21.920 6.326 7.193 138 2HG PRO 130 1HG PRO 130 21.525 6.276 5.470 139 1HD PRO 130 2HD PRO 130 19.673 6.391 7.520 140 2HD PRO 130 1HD PRO 130 19.334 5.828 5.870 141 H VAL 131 H VAL 131 20.621 4.981 9.333 142 HA VAL 131 HA VAL 131 22.869 3.856 10.868 143 HB VAL 131 HB VAL 131 20.902 6.109 11.196 144 1HG1 VAL 131 1HG1 VAL 131 21.194 5.061 13.422 145 2HG1 VAL 131 2HG1 VAL 131 21.972 6.643 13.348 146 3HG1 VAL 131 3HG1 VAL 131 22.944 5.175 13.237 147 1HG2 VAL 131 1HG2 VAL 131 23.092 6.149 9.788 148 2HG2 VAL 131 2HG2 VAL 131 23.915 6.170 11.348 149 3HG2 VAL 131 3HG2 VAL 131 22.813 7.476 10.915 150 H CYS 132 H CYS 132 19.528 4.564 11.940 151 HA CYS 132 HA CYS 132 19.697 2.261 13.770 152 1HB CYS 132 2HB CYS 132 17.763 3.220 14.775 153 2HB CYS 132 1HB CYS 132 18.752 4.587 14.268 154 H SER 133 H SER 133 19.352 2.157 10.668 155 HA SER 133 HA SER 133 18.186 0.832 9.102 156 1HB SER 133 2HB SER 133 17.651 -1.449 10.252 157 2HB SER 133 1HB SER 133 19.325 -0.908 10.170 158 HG SER 133 HG SER 133 17.552 -0.997 12.338 159 H SER 134 H SER 134 16.433 2.689 10.815 160 HA SER 134 HA SER 134 13.948 1.228 11.238 161 1HB SER 134 2HB SER 134 14.926 4.056 11.262 162 2HB SER 134 1HB SER 134 13.187 3.783 11.187 163 HG SER 134 HG SER 134 13.821 2.174 12.993 164 H THR 135 H THR 135 12.004 2.739 9.971 165 HA THR 135 HA THR 135 12.685 2.965 7.109 166 HB THR 135 HB THR 135 10.501 1.056 7.902 167 HG1 THR 135 1HG THR 135 13.263 0.485 7.597 168 1HG2 THR 135 1HG2 THR 135 11.441 0.057 5.671 169 2HG2 THR 135 2HG2 THR 135 12.186 1.645 5.485 170 3HG2 THR 135 3HG2 THR 135 10.431 1.503 5.608 171 H PHE 136 H PHE 136 10.905 3.879 5.858 172 HA PHE 136 HA PHE 136 8.586 4.915 7.401 173 1HB PHE 136 2HB PHE 136 10.429 6.701 5.794 174 2HB PHE 136 1HB PHE 136 9.133 7.199 6.879 175 HD1 PHE 136 1HD PHE 136 9.336 6.413 9.365 176 HD2 PHE 136 2HD PHE 136 12.625 6.550 6.606 177 HE1 PHE 136 1HE PHE 136 10.929 6.440 11.266 178 HE2 PHE 136 2HE PHE 136 14.218 6.577 8.507 179 HZ PHE 136 HZ PHE 136 13.370 6.522 10.836 180 H THR 137 H THR 137 6.992 5.941 5.896 181 HA THR 137 HA THR 137 7.267 5.007 3.062 182 HB THR 137 HB THR 137 4.645 4.620 3.528 183 HG1 THR 137 1HG THR 137 4.807 3.556 5.748 184 1HG2 THR 137 1HG2 THR 137 5.878 2.812 2.698 185 2HG2 THR 137 2HG2 THR 137 5.382 2.233 4.288 186 3HG2 THR 137 3HG2 THR 137 7.018 2.847 4.043 187 H ASP 138 H ASP 138 5.036 5.992 1.951 188 HA ASP 138 HA ASP 138 5.414 8.744 1.617 189 1HB ASP 138 2HB ASP 138 2.959 8.628 0.861 190 2HB ASP 138 1HB ASP 138 4.072 7.494 0.096 191 H LEU 139 H LEU 139 3.251 7.094 3.937 192 HA LEU 139 HA LEU 139 2.004 9.409 5.032 193 1HB LEU 139 2HB LEU 139 1.380 7.907 6.793 194 2HB LEU 139 1HB LEU 139 1.510 6.909 5.346 195 HG LEU 139 HG LEU 139 4.097 6.913 6.363 196 1HD1 LEU 139 1HD1 LEU 139 3.949 6.454 8.710 197 2HD1 LEU 139 2HD1 LEU 139 2.185 6.431 8.659 198 3HD1 LEU 139 3HD1 LEU 139 3.054 7.951 8.445 199 1HD2 LEU 139 1HD2 LEU 139 3.077 4.958 5.417 200 2HD2 LEU 139 2HD2 LEU 139 1.795 4.963 6.628 201 3HD2 LEU 139 3HD2 LEU 139 3.446 4.558 7.095 202 H GLU 140 H GLU 140 5.230 8.172 5.343 203 HA GLU 140 HA GLU 140 5.786 9.980 7.659 204 1HB GLU 140 2HB GLU 140 7.399 7.730 6.407 205 2HB GLU 140 1HB GLU 140 7.783 8.566 7.913 206 1HG GLU 140 2HG GLU 140 5.284 7.827 8.513 207 2HG GLU 140 1HG GLU 140 5.653 6.551 7.354 208 H ALA 141 H ALA 141 6.642 9.272 4.305 209 HA ALA 141 HA ALA 141 8.965 10.788 3.933 210 1HB ALA 141 1HB ALA 141 8.478 10.237 1.789 211 2HB ALA 141 2HB ALA 141 6.998 11.197 1.822 212 3HB ALA 141 3HB ALA 141 6.980 9.531 2.398 213 H ASN 142 H ASN 142 5.659 11.897 4.440 214 HA ASN 142 HA ASN 142 6.222 14.670 3.683 215 1HB ASN 142 2HB ASN 142 3.960 13.047 4.791 216 2HB ASN 142 1HB ASN 142 3.884 14.802 4.952 217 1HD2 ASN 142 1HD2 ASN 142 3.073 12.288 2.866 218 2HD2 ASN 142 2HD2 ASN 142 2.971 13.172 1.422 219 H GLN 143 H GLN 143 6.297 12.754 6.635 220 HA GLN 143 HA GLN 143 6.553 15.191 8.311 221 1HB GLN 143 2HB GLN 143 6.135 13.714 10.114 222 2HB GLN 143 1HB GLN 143 5.159 13.058 8.802 223 1HG GLN 143 2HG GLN 143 6.821 11.375 8.317 224 2HG GLN 143 1HG GLN 143 7.959 12.102 9.452 225 1HE2 GLN 143 1HE2 GLN 143 6.527 9.358 9.418 226 2HE2 GLN 143 2HE2 GLN 143 5.838 9.245 10.966 227 H LEU 144 H LEU 144 8.540 12.875 6.714 228 HA LEU 144 HA LEU 144 10.873 13.520 8.471 229 1HB LEU 144 2HB LEU 144 10.589 11.443 6.279 230 2HB LEU 144 1HB LEU 144 11.833 11.509 7.526 231 HG LEU 144 HG LEU 144 8.872 11.149 8.065 232 1HD1 LEU 144 1HD1 LEU 144 9.630 9.131 7.046 233 2HD1 LEU 144 2HD1 LEU 144 9.697 8.828 8.782 234 3HD1 LEU 144 3HD1 LEU 144 11.176 9.197 7.894 235 1HD2 LEU 144 1HD2 LEU 144 9.653 10.622 10.354 236 2HD2 LEU 144 2HD2 LEU 144 10.121 12.257 9.885 237 3HD2 LEU 144 3HD2 LEU 144 11.312 10.957 9.861 238 H PHE 145 H PHE 145 9.484 14.155 5.373 239 HA PHE 145 HA PHE 145 11.926 14.735 3.919 240 1HB PHE 145 2HB PHE 145 9.920 14.177 2.738 241 2HB PHE 145 1HB PHE 145 8.993 15.408 3.597 242 HD1 PHE 145 1HD PHE 145 9.523 17.851 3.205 243 HD2 PHE 145 2HD PHE 145 11.158 14.705 0.781 244 HE1 PHE 145 1HE PHE 145 10.089 19.501 1.445 245 HE2 PHE 145 2HE PHE 145 11.725 16.354 -0.979 246 HZ PHE 145 HZ PHE 145 11.191 18.754 -0.649 247 H ASP 146 H ASP 146 13.184 16.534 4.138 248 HA ASP 146 HA ASP 146 11.976 18.964 5.424 249 1HB ASP 146 2HB ASP 146 14.624 17.553 5.640 250 2HB ASP 146 1HB ASP 146 14.533 19.281 5.986 251 HA PRO 147 HA PRO 147 12.991 20.968 1.624 252 1HB PRO 147 2HB PRO 147 12.796 23.556 2.491 253 2HB PRO 147 1HB PRO 147 11.381 22.528 2.193 254 1HG PRO 147 2HG PRO 147 12.692 23.242 4.764 255 2HG PRO 147 1HG PRO 147 10.974 23.046 4.390 256 1HD PRO 147 2HD PRO 147 12.476 21.159 5.679 257 2HD PRO 147 1HD PRO 147 11.030 20.784 4.714 258 H MET 148 H MET 148 14.664 21.795 4.636 259 HA MET 148 HA MET 148 16.769 23.396 3.639 260 1HB MET 148 2HB MET 148 17.882 22.747 5.686 261 2HB MET 148 1HB MET 148 16.153 22.818 6.027 262 1HG MET 148 2HG MET 148 16.073 20.324 5.521 263 2HG MET 148 1HG MET 148 17.836 20.353 5.528 264 1HE MET 148 1HE MET 148 19.295 20.454 8.057 265 2HE MET 148 2HE MET 148 18.683 21.876 8.898 266 3HE MET 148 3HE MET 148 18.934 21.933 7.156 267 H THR 149 H THR 149 16.336 19.881 3.530 268 HA THR 149 HA THR 149 18.946 19.664 2.068 269 HB THR 149 HB THR 149 18.884 18.420 4.154 270 HG1 THR 149 1HG THR 149 19.578 16.617 3.282 271 1HG2 THR 149 1HG2 THR 149 16.884 17.760 4.941 272 2HG2 THR 149 2HG2 THR 149 16.895 16.469 3.740 273 3HG2 THR 149 3HG2 THR 149 16.132 18.014 3.367 274 H GLY 150 H GLY 150 15.497 19.038 1.949 275 1HA GLY 150 2HA GLY 150 14.201 18.672 -0.008 276 2HA GLY 150 1HA GLY 150 15.695 18.491 -0.929 277 H THR 151 H THR 151 15.747 16.638 1.906 278 HA THR 151 HA THR 151 14.827 14.208 0.404 279 HB THR 151 HB THR 151 16.910 13.754 2.396 280 HG1 THR 151 1HG THR 151 18.488 14.806 0.899 281 1HG2 THR 151 1HG2 THR 151 16.222 13.046 -0.389 282 2HG2 THR 151 2HG2 THR 151 16.876 12.038 0.903 283 3HG2 THR 151 3HG2 THR 151 17.950 13.079 -0.033 284 H PHE 152 H PHE 152 15.086 12.366 2.458 285 HA PHE 152 HA PHE 152 13.075 13.364 4.439 286 1HB PHE 152 2HB PHE 152 13.803 10.545 3.575 287 2HB PHE 152 1HB PHE 152 12.420 11.010 4.566 288 HD1 PHE 152 1HD PHE 152 13.866 11.058 1.176 289 HD2 PHE 152 2HD PHE 152 10.482 12.126 3.596 290 HE1 PHE 152 1HE PHE 152 12.528 11.464 -0.873 291 HE2 PHE 152 2HE PHE 152 9.145 12.533 1.549 292 HZ PHE 152 HZ PHE 152 10.168 12.202 -0.687 293 H ARG 153 H ARG 153 13.594 13.290 6.621 294 HA ARG 153 HA ARG 153 16.277 12.148 7.323 295 1HB ARG 153 2HB ARG 153 14.695 14.556 8.183 296 2HB ARG 153 1HB ARG 153 15.894 13.870 9.281 297 1HG ARG 153 2HG ARG 153 17.361 13.907 7.025 298 2HG ARG 153 1HG ARG 153 16.287 15.261 6.680 299 1HD ARG 153 2HD ARG 153 17.135 16.551 8.405 300 2HD ARG 153 1HD ARG 153 17.541 15.136 9.398 301 HE ARG 153 HE ARG 153 19.091 15.056 6.995 302 1HH1 ARG 153 1HH1 ARG 153 20.069 14.768 9.877 303 2HH1 ARG 153 2HH1 ARG 153 21.146 16.119 9.995 304 1HH2 ARG 153 1HH2 ARG 153 19.911 17.690 7.162 305 2HH2 ARG 153 2HH2 ARG 153 21.058 17.772 8.457 306 H CYS 154 H CYS 154 16.364 10.663 8.973 307 HA CYS 154 HA CYS 154 14.269 9.052 9.788 308 1HB CYS 154 2HB CYS 154 16.799 8.940 10.194 309 2HB CYS 154 1HB CYS 154 16.506 9.958 11.602 310 H THR 155 H THR 155 13.292 8.957 12.093 311 HA THR 155 HA THR 155 12.430 11.717 12.884 312 HB THR 155 HB THR 155 10.761 9.515 13.804 313 HG1 THR 155 1HG THR 155 10.087 8.946 11.665 314 1HG2 THR 155 1HG2 THR 155 10.341 11.863 11.936 315 2HG2 THR 155 2HG2 THR 155 9.993 11.819 13.664 316 3HG2 THR 155 3HG2 THR 155 9.049 10.830 12.549 317 H PHE 156 H PHE 156 14.008 8.829 13.987 318 HA PHE 156 HA PHE 156 13.809 9.821 16.796 319 1HB PHE 156 2HB PHE 156 14.745 7.197 16.860 320 2HB PHE 156 1HB PHE 156 13.108 7.722 17.216 321 HD1 PHE 156 1HD PHE 156 15.336 6.654 14.421 322 HD2 PHE 156 2HD PHE 156 11.305 7.088 15.833 323 HE1 PHE 156 1HE PHE 156 14.508 5.430 12.436 324 HE2 PHE 156 2HE PHE 156 10.474 5.858 13.846 325 HZ PHE 156 HZ PHE 156 12.077 5.026 12.147 326 H CYS 157 H CYS 157 16.001 8.509 14.342 327 HA CYS 157 HA CYS 157 18.280 9.456 16.034 328 1HB CYS 157 2HB CYS 157 19.311 7.485 15.565 329 2HB CYS 157 1HB CYS 157 17.709 6.940 15.097 330 H HIS 158 H HIS 158 16.492 10.789 13.959 331 HA HIS 158 HA HIS 158 16.687 12.085 11.962 332 1HB HIS 158 2HB HIS 158 18.656 12.897 14.078 333 2HB HIS 158 1HB HIS 158 18.496 13.848 12.599 334 HD1 HIS 158 1HD HIS 158 16.289 15.135 12.229 335 HD2 HIS 158 2HD HIS 158 16.343 12.936 15.770 336 HE1 HIS 158 1HE HIS 158 14.279 15.890 13.573 337 H THR 159 H THR 159 18.297 9.586 11.572 338 HA THR 159 HA THR 159 20.765 10.571 10.267 339 HB THR 159 HB THR 159 19.447 7.900 10.764 340 HG1 THR 159 1HG THR 159 21.036 9.333 12.145 341 1HG2 THR 159 1HG2 THR 159 21.121 6.775 9.503 342 2HG2 THR 159 2HG2 THR 159 22.071 8.246 9.311 343 3HG2 THR 159 3HG2 THR 159 20.548 8.060 8.446 344 H GLU 160 H GLU 160 20.823 11.055 8.077 345 HA GLU 160 HA GLU 160 18.610 11.412 6.436 346 1HB GLU 160 2HB GLU 160 21.008 12.073 6.030 347 2HB GLU 160 1HB GLU 160 21.334 10.405 5.554 348 1HG GLU 160 2HG GLU 160 19.992 10.556 3.634 349 2HG GLU 160 1HG GLU 160 19.094 11.941 4.256 350 H VAL 161 H VAL 161 17.065 9.947 5.834 351 HA VAL 161 HA VAL 161 17.660 7.057 5.808 352 HB VAL 161 HB VAL 161 15.246 6.885 5.543 353 1HG1 VAL 161 1HG1 VAL 161 14.533 8.521 7.408 354 2HG1 VAL 161 2HG1 VAL 161 16.219 9.038 7.422 355 3HG1 VAL 161 3HG1 VAL 161 15.806 7.364 7.795 356 1HG2 VAL 161 1HG2 VAL 161 14.364 9.559 5.525 357 2HG2 VAL 161 2HG2 VAL 161 14.231 8.394 4.207 358 3HG2 VAL 161 3HG2 VAL 161 15.623 9.475 4.292 359 H GLU 162 H GLU 162 17.062 5.741 3.889 360 HA GLU 162 HA GLU 162 17.372 7.239 1.306 361 1HB GLU 162 2HB GLU 162 18.568 4.603 2.228 362 2HB GLU 162 1HB GLU 162 18.713 5.238 0.589 363 1HG GLU 162 2HG GLU 162 19.553 6.874 2.981 364 2HG GLU 162 1HG GLU 162 20.655 5.725 2.221 365 H GLU 163 H GLU 163 16.256 6.245 -0.509 366 HA GLU 163 HA GLU 163 13.685 5.165 0.048 367 1HB GLU 163 2HB GLU 163 15.450 5.678 -2.261 368 2HB GLU 163 1HB GLU 163 14.250 4.414 -2.532 369 1HG GLU 163 2HG GLU 163 12.682 5.996 -2.825 370 2HG GLU 163 1HG GLU 163 12.934 6.525 -1.161 371 H ASP 164 H ASP 164 12.959 3.057 0.272 372 HA ASP 164 HA ASP 164 14.996 0.925 0.516 373 1HB ASP 164 2HB ASP 164 13.072 1.484 2.137 374 2HB ASP 164 1HB ASP 164 12.005 0.757 0.937 375 H GLU 165 H GLU 165 15.535 0.289 -1.611 376 HA GLU 165 HA GLU 165 13.384 -0.258 -3.567 377 1HB GLU 165 2HB GLU 165 16.402 -0.220 -3.538 378 2HB GLU 165 1HB GLU 165 15.522 -0.888 -4.914 379 1HG GLU 165 2HG GLU 165 14.945 1.866 -3.806 380 2HG GLU 165 1HG GLU 165 16.133 1.587 -5.081 381 H SER 166 H SER 166 13.834 -1.914 -1.029 382 HA SER 166 HA SER 166 14.336 -4.565 -2.342 383 1HB SER 166 2HB SER 166 15.869 -4.641 -0.663 384 2HB SER 166 1HB SER 166 15.136 -3.276 0.173 385 HG SER 166 HG SER 166 14.272 -4.675 1.464 386 H ALA 167 H ALA 167 11.789 -2.758 -1.792 387 HA ALA 167 HA ALA 167 10.116 -5.041 -0.821 388 1HB ALA 167 1HB ALA 167 10.188 -3.737 1.105 389 2HB ALA 167 2HB ALA 167 8.808 -3.006 0.287 390 3HB ALA 167 3HB ALA 167 10.392 -2.237 0.200 391 H MET 168 H MET 168 10.022 -4.964 -3.381 392 HA MET 168 HA MET 168 7.524 -3.535 -4.091 393 1HB MET 168 2HB MET 168 10.257 -2.814 -4.918 394 2HB MET 168 1HB MET 168 9.119 -2.971 -6.257 395 1HG MET 168 2HG MET 168 8.383 -0.904 -5.753 396 2HG MET 168 1HG MET 168 7.691 -1.595 -4.285 397 1HE MET 168 1HE MET 168 9.943 1.408 -5.292 398 2HE MET 168 2HE MET 168 9.439 1.871 -3.669 399 3HE MET 168 3HE MET 168 8.277 1.131 -4.767 400 HA PRO 169 HA PRO 169 8.461 -7.669 -6.168 401 1HB PRO 169 2HB PRO 169 6.833 -9.283 -4.681 402 2HB PRO 169 1HB PRO 169 8.534 -8.987 -4.268 403 1HG PRO 169 2HG PRO 169 6.071 -7.829 -3.084 404 2HG PRO 169 1HG PRO 169 7.602 -8.263 -2.310 405 1HD PRO 169 2HD PRO 169 6.859 -5.694 -2.970 406 2HD PRO 169 1HD PRO 169 8.537 -6.234 -2.748 407 H LYS 170 H LYS 170 7.083 -6.101 -7.584 408 HA LYS 170 HA LYS 170 4.201 -6.201 -7.460 409 1HB LYS 170 2HB LYS 170 4.468 -5.243 -9.778 410 2HB LYS 170 1HB LYS 170 5.423 -4.407 -8.554 411 1HG LYS 170 2HG LYS 170 7.422 -5.190 -9.375 412 2HG LYS 170 1HG LYS 170 6.716 -6.705 -9.940 413 1HD LYS 170 2HD LYS 170 7.378 -5.231 -11.828 414 2HD LYS 170 1HD LYS 170 5.642 -5.539 -11.807 415 1HE LYS 170 2HE LYS 170 5.139 -3.371 -11.007 416 2HE LYS 170 1HE LYS 170 6.798 -3.106 -10.435 417 1HZ LYS 170 1HZ LYS 170 6.279 -2.020 -12.608 418 2HZ LYS 170 2HZ LYS 170 6.102 -3.570 -13.282 419 3HZ LYS 170 3HZ LYS 170 7.602 -3.079 -12.655 420 H LYS 171 H LYS 171 6.639 -8.293 -8.862 421 HA LYS 171 HA LYS 171 4.862 -9.673 -10.709 422 1HB LYS 171 2HB LYS 171 7.618 -9.522 -10.050 423 2HB LYS 171 1HB LYS 171 7.148 -11.210 -9.853 424 1HG LYS 171 2HG LYS 171 6.504 -11.432 -12.088 425 2HG LYS 171 1HG LYS 171 6.261 -9.697 -12.292 426 1HD LYS 171 2HD LYS 171 9.003 -10.773 -11.681 427 2HD LYS 171 1HD LYS 171 8.388 -10.803 -13.334 428 1HE LYS 171 2HE LYS 171 7.759 -8.250 -12.678 429 2HE LYS 171 1HE LYS 171 9.205 -8.477 -11.674 430 1HZ LYS 171 1HZ LYS 171 9.703 -7.773 -13.993 431 2HZ LYS 171 2HZ LYS 171 9.039 -9.239 -14.539 432 3HZ LYS 171 3HZ LYS 171 10.424 -9.245 -13.556 433 H ASP 172 H ASP 172 3.243 -9.806 -8.669 434 HA ASP 172 HA ASP 172 3.707 -12.468 -7.361 435 1HB ASP 172 2HB ASP 172 3.316 -9.876 -6.273 436 2HB ASP 172 1HB ASP 172 1.830 -10.776 -5.969 437 H ALA 173 H ALA 173 1.081 -10.173 -8.211 438 HA ALA 173 HA ALA 173 -0.397 -12.288 -9.611 439 1HB ALA 173 1HB ALA 173 -2.226 -11.346 -7.659 440 2HB ALA 173 2HB ALA 173 -0.741 -11.749 -6.796 441 3HB ALA 173 3HB ALA 173 -1.543 -12.967 -7.787 442 H ARG 174 H ARG 174 -0.055 -10.510 -11.232 443 HA ARG 174 HA ARG 174 -1.370 -7.933 -10.834 444 1HB ARG 174 2HB ARG 174 -0.648 -7.577 -13.140 445 2HB ARG 174 1HB ARG 174 0.648 -8.389 -12.259 446 1HG ARG 174 2HG ARG 174 -0.559 -10.576 -13.119 447 2HG ARG 174 1HG ARG 174 -1.194 -9.487 -14.353 448 1HD ARG 174 2HD ARG 174 1.761 -9.791 -13.701 449 2HD ARG 174 1HD ARG 174 0.945 -10.561 -15.076 450 HE ARG 174 HE ARG 174 1.146 -7.597 -14.697 451 1HH1 ARG 174 1HH1 ARG 174 2.638 -9.436 -16.752 452 2HH1 ARG 174 2HH1 ARG 174 1.762 -9.032 -18.190 453 1HH2 ARG 174 1HH2 ARG 174 -0.836 -7.487 -16.492 454 2HH2 ARG 174 2HH2 ARG 174 -0.205 -7.928 -18.043 Start of MODEL 14 1 1H ARG 113 1HT ARG 113 -16.696 11.005 -12.406 2 2H ARG 113 2HT ARG 113 -18.347 10.761 -12.086 3 3H ARG 113 3HT ARG 113 -17.488 11.971 -11.258 4 HA ARG 113 HA ARG 113 -17.885 11.990 -14.204 5 1HB ARG 113 2HB ARG 113 -19.672 12.495 -11.960 6 2HB ARG 113 1HB ARG 113 -19.470 13.937 -12.956 7 1HG ARG 113 2HG ARG 113 -20.272 11.185 -13.945 8 2HG ARG 113 1HG ARG 113 -21.329 12.590 -13.813 9 1HD ARG 113 2HD ARG 113 -19.312 13.649 -15.308 10 2HD ARG 113 1HD ARG 113 -19.286 11.964 -15.868 11 HE ARG 113 HE ARG 113 -21.997 12.970 -15.660 12 1HH1 ARG 113 1HH2 ARG 113 -19.653 11.777 -17.723 13 2HH1 ARG 113 2HH2 ARG 113 -20.245 12.564 -19.148 14 1HH2 ARG 113 1HH1 ARG 113 -22.558 14.499 -17.437 15 2HH2 ARG 113 2HH1 ARG 113 -21.889 14.106 -18.986 16 H ILE 114 H ILE 114 -18.136 14.529 -11.762 17 HA ILE 114 HA ILE 114 -15.924 15.988 -13.116 18 HB ILE 114 HB ILE 114 -17.850 16.919 -10.970 19 1HG1 ILE 114 2HG1 ILE 114 -18.215 17.133 -13.971 20 2HG1 ILE 114 1HG1 ILE 114 -18.993 15.890 -12.992 21 1HG2 ILE 114 1HG2 ILE 114 -17.190 19.066 -11.531 22 2HG2 ILE 114 2HG2 ILE 114 -16.763 18.615 -13.181 23 3HG2 ILE 114 3HG2 ILE 114 -15.687 18.200 -11.848 24 1HD1 ILE 114 1HD1 ILE 114 -20.652 17.377 -12.631 25 2HD1 ILE 114 2HD1 ILE 114 -19.702 18.700 -13.309 26 3HD1 ILE 114 3HD1 ILE 114 -19.513 18.258 -11.611 27 H GLU 115 H GLU 115 -13.943 16.156 -12.134 28 HA GLU 115 HA GLU 115 -13.683 16.164 -9.206 29 1HB GLU 115 2HB GLU 115 -13.914 13.737 -10.222 30 2HB GLU 115 1HB GLU 115 -12.229 13.987 -10.679 31 1HG GLU 115 2HG GLU 115 -11.492 13.886 -8.523 32 2HG GLU 115 1HG GLU 115 -12.902 14.745 -7.899 33 H THR 116 H THR 116 -11.783 17.224 -8.626 34 HA THR 116 HA THR 116 -10.120 18.308 -10.816 35 HB THR 116 HB THR 116 -9.106 19.364 -8.565 36 HG1 THR 116 1HG THR 116 -11.070 19.536 -7.174 37 1HG2 THR 116 1HG2 THR 116 -11.023 21.050 -8.701 38 2HG2 THR 116 2HG2 THR 116 -11.719 20.001 -9.936 39 3HG2 THR 116 3HG2 THR 116 -10.144 20.748 -10.199 40 H ASP 117 H ASP 117 -8.801 17.563 -7.652 41 HA ASP 117 HA ASP 117 -6.467 16.273 -8.799 42 1HB ASP 117 2HB ASP 117 -6.820 17.678 -6.625 43 2HB ASP 117 1HB ASP 117 -7.335 16.148 -5.914 44 H GLU 118 H GLU 118 -5.915 14.039 -8.676 45 HA GLU 118 HA GLU 118 -8.206 12.201 -8.048 46 1HB GLU 118 2HB GLU 118 -6.222 12.426 -10.260 47 2HB GLU 118 1HB GLU 118 -6.658 10.793 -9.756 48 1HG GLU 118 2HG GLU 118 -8.865 12.770 -10.159 49 2HG GLU 118 1HG GLU 118 -8.087 12.094 -11.590 50 H ARG 119 H ARG 119 -7.003 9.810 -7.942 51 HA ARG 119 HA ARG 119 -4.486 9.851 -6.436 52 1HB ARG 119 2HB ARG 119 -7.049 10.158 -5.153 53 2HB ARG 119 1HB ARG 119 -6.331 8.624 -4.658 54 1HG ARG 119 2HG ARG 119 -4.238 9.800 -4.063 55 2HG ARG 119 1HG ARG 119 -4.973 11.334 -4.534 56 1HD ARG 119 2HD ARG 119 -6.778 10.926 -2.824 57 2HD ARG 119 1HD ARG 119 -5.860 9.510 -2.274 58 HE ARG 119 HE ARG 119 -4.114 11.783 -2.437 59 1HH1 ARG 119 1HH1 ARG 119 -6.976 10.930 -0.759 60 2HH1 ARG 119 2HH1 ARG 119 -6.401 11.461 0.786 61 1HH2 ARG 119 1HH2 ARG 119 -3.231 12.257 -0.372 62 2HH2 ARG 119 2HH2 ARG 119 -4.281 12.213 1.005 63 H ASP 120 H ASP 120 -3.500 7.941 -6.970 64 HA ASP 120 HA ASP 120 -5.230 5.645 -7.815 65 1HB ASP 120 2HB ASP 120 -2.328 6.319 -8.406 66 2HB ASP 120 1HB ASP 120 -3.241 4.987 -9.116 67 H SER 121 H SER 121 -2.101 6.302 -6.179 68 HA SER 121 HA SER 121 -2.738 4.230 -4.158 69 1HB SER 121 2HB SER 121 -0.072 3.869 -5.335 70 2HB SER 121 1HB SER 121 -1.309 2.666 -4.978 71 HG SER 121 HG SER 121 -2.170 2.953 -6.930 72 H THR 122 H THR 122 -2.486 5.717 -2.462 73 HA THR 122 HA THR 122 -0.127 7.499 -2.393 74 HB THR 122 HB THR 122 -2.411 8.235 -1.743 75 HG1 THR 122 1HG THR 122 -0.898 9.376 -0.703 76 1HG2 THR 122 1HG2 THR 122 -3.099 7.311 0.616 77 2HG2 THR 122 2HG2 THR 122 -2.092 5.936 0.160 78 3HG2 THR 122 3HG2 THR 122 -3.483 6.377 -0.830 79 H ASN 123 H ASN 123 0.437 4.650 -2.272 80 HA ASN 123 HA ASN 123 1.810 4.577 0.366 81 1HB ASN 123 2HB ASN 123 0.900 2.292 0.750 82 2HB ASN 123 1HB ASN 123 -0.383 3.500 0.666 83 1HD2 ASN 123 1HD2 ASN 123 -1.336 3.784 -1.664 84 2HD2 ASN 123 2HD2 ASN 123 -1.531 2.368 -2.577 85 H ARG 124 H ARG 124 3.057 5.011 -2.092 86 HA ARG 124 HA ARG 124 4.267 2.345 -2.752 87 1HB ARG 124 2HB ARG 124 4.617 3.243 -4.958 88 2HB ARG 124 1HB ARG 124 2.965 3.667 -4.503 89 1HG ARG 124 2HG ARG 124 4.204 5.831 -3.529 90 2HG ARG 124 1HG ARG 124 5.363 5.420 -4.793 91 1HD ARG 124 2HD ARG 124 3.888 5.919 -6.491 92 2HD ARG 124 1HD ARG 124 2.478 5.376 -5.561 93 HE ARG 124 HE ARG 124 2.712 7.477 -4.209 94 1HH1 ARG 124 1HH2 ARG 124 2.260 7.953 -7.270 95 2HH1 ARG 124 2HH2 ARG 124 3.296 9.321 -7.507 96 1HH2 ARG 124 1HH1 ARG 124 4.955 8.920 -4.488 97 2HH2 ARG 124 2HH1 ARG 124 4.823 9.869 -5.931 98 H ALA 125 H ALA 125 4.893 4.844 -0.806 99 HA ALA 125 HA ALA 125 7.737 5.226 -1.635 100 1HB ALA 125 1HB ALA 125 7.459 7.308 -0.766 101 2HB ALA 125 2HB ALA 125 6.722 6.675 0.707 102 3HB ALA 125 3HB ALA 125 5.738 6.927 -0.734 103 H SER 126 H SER 126 9.391 4.379 -0.396 104 HA SER 126 HA SER 126 8.832 3.406 2.353 105 1HB SER 126 2HB SER 126 9.879 1.176 1.611 106 2HB SER 126 1HB SER 126 8.240 1.495 1.048 107 HG SER 126 HG SER 126 10.616 1.333 -0.346 108 H PHE 127 H PHE 127 10.429 4.743 3.246 109 HA PHE 127 HA PHE 127 13.144 4.714 2.014 110 1HB PHE 127 2HB PHE 127 11.976 6.396 4.252 111 2HB PHE 127 1HB PHE 127 13.481 6.702 3.386 112 HD1 PHE 127 1HD PHE 127 10.973 8.538 3.638 113 HD2 PHE 127 2HD PHE 127 12.305 5.767 0.637 114 HE1 PHE 127 1HE PHE 127 9.722 9.805 1.913 115 HE2 PHE 127 2HE PHE 127 11.053 7.035 -1.088 116 HZ PHE 127 HZ PHE 127 9.762 9.054 -0.451 117 H LYS 128 H LYS 128 14.986 4.186 3.312 118 HA LYS 128 HA LYS 128 14.396 2.801 5.892 119 1HB LYS 128 2HB LYS 128 14.729 1.108 4.234 120 2HB LYS 128 1HB LYS 128 16.081 1.982 3.519 121 1HG LYS 128 2HG LYS 128 17.159 0.322 4.780 122 2HG LYS 128 1HG LYS 128 17.191 1.704 5.872 123 1HD LYS 128 2HD LYS 128 15.946 0.602 7.387 124 2HD LYS 128 1HD LYS 128 14.707 0.259 6.180 125 1HE LYS 128 2HE LYS 128 17.130 -1.365 5.813 126 2HE LYS 128 1HE LYS 128 16.318 -1.655 7.364 127 1HZ LYS 128 1HZ LYS 128 15.511 -2.621 4.937 128 2HZ LYS 128 2HZ LYS 128 14.466 -1.310 5.207 129 3HZ LYS 128 3HZ LYS 128 14.572 -2.565 6.347 130 H CYS 129 H CYS 129 15.873 3.262 7.536 131 HA CYS 129 HA CYS 129 17.804 5.431 7.008 132 1HB CYS 129 2HB CYS 129 16.193 5.484 8.890 133 2HB CYS 129 1HB CYS 129 16.918 4.015 9.538 134 HA PRO 130 HA PRO 130 21.090 2.449 6.863 135 1HB PRO 130 2HB PRO 130 23.142 4.241 6.646 136 2HB PRO 130 1HB PRO 130 22.066 3.833 5.296 137 1HG PRO 130 2HG PRO 130 22.096 6.234 7.031 138 2HG PRO 130 1HG PRO 130 21.670 6.076 5.322 139 1HD PRO 130 2HD PRO 130 19.857 6.296 7.406 140 2HD PRO 130 1HD PRO 130 19.490 5.658 5.788 141 H VAL 131 H VAL 131 20.804 5.002 9.250 142 HA VAL 131 HA VAL 131 23.071 4.034 10.848 143 HB VAL 131 HB VAL 131 20.985 6.191 11.054 144 1HG1 VAL 131 1HG1 VAL 131 22.198 6.848 13.208 145 2HG1 VAL 131 2HG1 VAL 131 22.858 5.212 13.221 146 3HG1 VAL 131 3HG1 VAL 131 21.116 5.461 13.328 147 1HG2 VAL 131 1HG2 VAL 131 23.081 6.458 9.684 148 2HG2 VAL 131 2HG2 VAL 131 24.017 6.250 11.164 149 3HG2 VAL 131 3HG2 VAL 131 22.941 7.635 10.989 150 H CYS 132 H CYS 132 19.724 4.632 11.942 151 HA CYS 132 HA CYS 132 19.980 2.374 13.811 152 1HB CYS 132 2HB CYS 132 18.013 3.286 14.798 153 2HB CYS 132 1HB CYS 132 18.949 4.674 14.253 154 H SER 133 H SER 133 19.608 2.178 10.707 155 HA SER 133 HA SER 133 18.495 0.762 9.194 156 1HB SER 133 2HB SER 133 17.983 -1.490 10.420 157 2HB SER 133 1HB SER 133 19.649 -0.932 10.311 158 HG SER 133 HG SER 133 18.619 -1.605 12.462 159 H SER 134 H SER 134 16.715 2.655 10.802 160 HA SER 134 HA SER 134 14.232 1.139 11.176 161 1HB SER 134 2HB SER 134 15.103 4.023 11.278 162 2HB SER 134 1HB SER 134 13.399 3.595 11.390 163 HG SER 134 HG SER 134 13.872 2.350 13.196 164 H THR 135 H THR 135 12.253 2.463 9.951 165 HA THR 135 HA THR 135 13.010 3.009 7.133 166 HB THR 135 HB THR 135 10.894 0.954 7.759 167 HG1 THR 135 1HG THR 135 12.532 -0.123 8.570 168 1HG2 THR 135 1HG2 THR 135 12.686 1.486 5.371 169 2HG2 THR 135 2HG2 THR 135 10.979 1.905 5.496 170 3HG2 THR 135 3HG2 THR 135 11.470 0.212 5.467 171 H PHE 136 H PHE 136 11.063 3.762 5.874 172 HA PHE 136 HA PHE 136 8.804 4.740 7.540 173 1HB PHE 136 2HB PHE 136 10.509 6.550 5.805 174 2HB PHE 136 1HB PHE 136 9.231 7.035 6.913 175 HD1 PHE 136 1HD PHE 136 9.531 6.761 9.380 176 HD2 PHE 136 2HD PHE 136 12.729 6.080 6.592 177 HE1 PHE 136 1HE PHE 136 11.175 6.913 11.228 178 HE2 PHE 136 2HE PHE 136 14.372 6.232 8.443 179 HZ PHE 136 HZ PHE 136 13.596 6.650 10.760 180 H THR 137 H THR 137 7.137 5.818 6.056 181 HA THR 137 HA THR 137 7.213 4.644 3.297 182 HB THR 137 HB THR 137 4.549 4.687 4.078 183 HG1 THR 137 1HG THR 137 4.473 3.982 6.140 184 1HG2 THR 137 1HG2 THR 137 5.688 2.162 4.789 185 2HG2 THR 137 2HG2 THR 137 6.569 2.797 3.399 186 3HG2 THR 137 3HG2 THR 137 4.818 2.594 3.317 187 H ASP 138 H ASP 138 4.665 5.740 2.558 188 HA ASP 138 HA ASP 138 5.406 8.409 1.797 189 1HB ASP 138 2HB ASP 138 2.965 8.451 1.092 190 2HB ASP 138 1HB ASP 138 3.881 7.073 0.484 191 H LEU 139 H LEU 139 3.205 7.150 4.310 192 HA LEU 139 HA LEU 139 2.169 9.604 5.273 193 1HB LEU 139 2HB LEU 139 2.694 6.852 6.300 194 2HB LEU 139 1HB LEU 139 2.328 8.091 7.500 195 HG LEU 139 HG LEU 139 0.633 7.356 5.099 196 1HD1 LEU 139 1HD1 LEU 139 -1.023 6.853 6.981 197 2HD1 LEU 139 2HD1 LEU 139 0.345 6.974 8.088 198 3HD1 LEU 139 3HD1 LEU 139 0.334 5.736 6.831 199 1HD2 LEU 139 1HD2 LEU 139 -0.138 9.478 5.253 200 2HD2 LEU 139 2HD2 LEU 139 0.794 9.774 6.720 201 3HD2 LEU 139 3HD2 LEU 139 -0.802 9.032 6.825 202 H GLU 140 H GLU 140 5.176 7.892 6.089 203 HA GLU 140 HA GLU 140 6.023 9.962 7.995 204 1HB GLU 140 2HB GLU 140 7.499 7.616 6.758 205 2HB GLU 140 1HB GLU 140 7.946 8.473 8.236 206 1HG GLU 140 2HG GLU 140 5.458 7.819 8.933 207 2HG GLU 140 1HG GLU 140 5.731 6.522 7.769 208 H ALA 141 H ALA 141 6.216 9.426 4.603 209 HA ALA 141 HA ALA 141 8.748 10.722 4.068 210 1HB ALA 141 1HB ALA 141 7.465 10.931 1.758 211 2HB ALA 141 2HB ALA 141 6.292 9.886 2.560 212 3HB ALA 141 3HB ALA 141 7.960 9.348 2.357 213 H ASN 142 H ASN 142 5.351 11.855 3.881 214 HA ASN 142 HA ASN 142 5.997 14.550 3.121 215 1HB ASN 142 2HB ASN 142 3.653 14.930 3.591 216 2HB ASN 142 1HB ASN 142 3.799 13.304 2.922 217 1HD2 ASN 142 1HD2 ASN 142 2.686 11.752 4.105 218 2HD2 ASN 142 2HD2 ASN 142 2.346 11.844 5.765 219 H GLN 143 H GLN 143 6.312 12.893 6.119 220 HA GLN 143 HA GLN 143 6.320 15.474 7.633 221 1HB GLN 143 2HB GLN 143 5.842 14.131 9.549 222 2HB GLN 143 1HB GLN 143 4.856 13.456 8.252 223 1HG GLN 143 2HG GLN 143 6.560 11.732 7.839 224 2HG GLN 143 1HG GLN 143 7.561 12.404 9.126 225 1HE2 GLN 143 1HE2 GLN 143 7.307 10.225 10.200 226 2HE2 GLN 143 2HE2 GLN 143 5.889 9.902 11.076 227 H LEU 144 H LEU 144 8.321 12.722 6.685 228 HA LEU 144 HA LEU 144 10.548 13.555 8.441 229 1HB LEU 144 2HB LEU 144 10.043 11.361 6.425 230 2HB LEU 144 1HB LEU 144 11.639 11.610 7.129 231 HG LEU 144 HG LEU 144 9.078 11.082 8.666 232 1HD1 LEU 144 1HD1 LEU 144 11.435 9.322 8.951 233 2HD1 LEU 144 2HD1 LEU 144 10.666 9.273 7.363 234 3HD1 LEU 144 3HD1 LEU 144 9.728 8.904 8.810 235 1HD2 LEU 144 1HD2 LEU 144 11.366 10.802 10.298 236 2HD2 LEU 144 2HD2 LEU 144 10.139 12.065 10.401 237 3HD2 LEU 144 3HD2 LEU 144 11.586 12.318 9.424 238 H PHE 145 H PHE 145 9.462 14.049 5.170 239 HA PHE 145 HA PHE 145 11.873 14.580 3.801 240 1HB PHE 145 2HB PHE 145 9.459 14.486 2.972 241 2HB PHE 145 1HB PHE 145 9.291 16.143 3.553 242 HD1 PHE 145 1HD PHE 145 9.658 17.833 2.003 243 HD2 PHE 145 2HD PHE 145 11.747 14.106 1.564 244 HE1 PHE 145 1HE PHE 145 10.722 18.674 -0.072 245 HE2 PHE 145 2HE PHE 145 12.810 14.947 -0.512 246 HZ PHE 145 HZ PHE 145 12.298 17.231 -1.330 247 H ASP 146 H ASP 146 13.179 16.433 3.630 248 HA ASP 146 HA ASP 146 12.582 18.664 5.544 249 1HB ASP 146 2HB ASP 146 15.056 17.034 5.003 250 2HB ASP 146 1HB ASP 146 15.204 18.671 5.643 251 HA PRO 147 HA PRO 147 13.095 21.001 1.803 252 1HB PRO 147 2HB PRO 147 12.781 23.472 2.925 253 2HB PRO 147 1HB PRO 147 11.422 22.374 2.612 254 1HG PRO 147 2HG PRO 147 12.808 22.992 5.159 255 2HG PRO 147 1HG PRO 147 11.106 22.618 4.859 256 1HD PRO 147 2HD PRO 147 12.963 20.842 5.876 257 2HD PRO 147 1HD PRO 147 11.438 20.383 5.088 258 H MET 148 H MET 148 15.002 21.372 4.713 259 HA MET 148 HA MET 148 16.903 23.302 3.712 260 1HB MET 148 2HB MET 148 18.158 22.617 5.688 261 2HB MET 148 1HB MET 148 16.444 22.676 6.103 262 1HG MET 148 2HG MET 148 16.253 20.258 5.805 263 2HG MET 148 1HG MET 148 17.936 20.165 5.289 264 1HE MET 148 1HE MET 148 15.566 21.520 7.608 265 2HE MET 148 2HE MET 148 16.500 22.090 8.989 266 3HE MET 148 3HE MET 148 15.793 20.476 9.018 267 H THR 149 H THR 149 16.669 19.771 3.547 268 HA THR 149 HA THR 149 19.203 19.737 1.936 269 HB THR 149 HB THR 149 19.486 18.495 3.953 270 HG1 THR 149 1HG THR 149 20.216 17.238 2.330 271 1HG2 THR 149 1HG2 THR 149 16.687 17.524 3.384 272 2HG2 THR 149 2HG2 THR 149 17.290 18.351 4.820 273 3HG2 THR 149 3HG2 THR 149 17.746 16.675 4.510 274 H GLY 150 H GLY 150 15.809 19.174 1.908 275 1HA GLY 150 2HA GLY 150 14.411 18.559 0.114 276 2HA GLY 150 1HA GLY 150 15.846 18.484 -0.910 277 H THR 151 H THR 151 15.345 16.678 2.097 278 HA THR 151 HA THR 151 14.898 14.171 0.566 279 HB THR 151 HB THR 151 16.945 13.651 2.479 280 HG1 THR 151 1HG THR 151 17.941 15.493 2.477 281 1HG2 THR 151 1HG2 THR 151 16.327 13.182 -0.262 282 2HG2 THR 151 2HG2 THR 151 17.517 12.354 0.741 283 3HG2 THR 151 3HG2 THR 151 17.984 13.783 -0.181 284 H PHE 152 H PHE 152 14.815 12.288 2.346 285 HA PHE 152 HA PHE 152 12.984 13.276 4.474 286 1HB PHE 152 2HB PHE 152 13.641 10.490 3.461 287 2HB PHE 152 1HB PHE 152 12.327 10.903 4.565 288 HD1 PHE 152 1HD PHE 152 13.622 11.408 1.111 289 HD2 PHE 152 2HD PHE 152 10.267 11.806 3.765 290 HE1 PHE 152 1HE PHE 152 12.158 11.934 -0.819 291 HE2 PHE 152 2HE PHE 152 8.802 12.331 1.834 292 HZ PHE 152 HZ PHE 152 9.748 12.395 -0.458 293 H ARG 153 H ARG 153 13.684 13.364 6.571 294 HA ARG 153 HA ARG 153 16.296 12.059 7.218 295 1HB ARG 153 2HB ARG 153 14.815 14.515 8.071 296 2HB ARG 153 1HB ARG 153 15.915 13.769 9.232 297 1HG ARG 153 2HG ARG 153 17.337 13.755 6.825 298 2HG ARG 153 1HG ARG 153 16.538 15.327 6.852 299 1HD ARG 153 2HD ARG 153 17.493 14.920 9.481 300 2HD ARG 153 1HD ARG 153 18.818 14.451 8.395 301 HE ARG 153 HE ARG 153 18.166 16.698 7.181 302 1HH1 ARG 153 1HH2 ARG 153 20.234 17.101 9.208 303 2HH1 ARG 153 2HH2 ARG 153 19.531 18.273 10.274 304 1HH2 ARG 153 1HH1 ARG 153 16.297 17.760 9.130 305 2HH2 ARG 153 2HH1 ARG 153 17.300 18.644 10.230 306 H CYS 154 H CYS 154 16.418 10.612 8.915 307 HA CYS 154 HA CYS 154 14.331 8.977 9.721 308 1HB CYS 154 2HB CYS 154 16.875 8.900 10.116 309 2HB CYS 154 1HB CYS 154 16.559 9.885 11.544 310 H THR 155 H THR 155 13.425 8.868 12.076 311 HA THR 155 HA THR 155 12.551 11.620 12.892 312 HB THR 155 HB THR 155 10.852 9.407 13.737 313 HG1 THR 155 1HG THR 155 10.155 9.089 11.474 314 1HG2 THR 155 1HG2 THR 155 9.528 11.226 13.645 315 2HG2 THR 155 2HG2 THR 155 9.519 11.029 11.893 316 3HG2 THR 155 3HG2 THR 155 10.694 12.100 12.652 317 H PHE 156 H PHE 156 14.122 8.716 13.910 318 HA PHE 156 HA PHE 156 13.877 9.571 16.757 319 1HB PHE 156 2HB PHE 156 14.916 6.958 16.619 320 2HB PHE 156 1HB PHE 156 13.309 7.434 17.136 321 HD1 PHE 156 1HD PHE 156 15.309 6.592 14.098 322 HD2 PHE 156 2HD PHE 156 11.409 6.850 15.873 323 HE1 PHE 156 1HE PHE 156 14.330 5.493 12.108 324 HE2 PHE 156 2HE PHE 156 10.427 5.744 13.882 325 HZ PHE 156 HZ PHE 156 11.890 5.064 11.998 326 H CYS 157 H CYS 157 16.121 8.486 14.248 327 HA CYS 157 HA CYS 157 18.355 9.432 16.000 328 1HB CYS 157 2HB CYS 157 19.476 7.519 15.471 329 2HB CYS 157 1HB CYS 157 17.885 6.918 15.036 330 H HIS 158 H HIS 158 16.542 10.748 13.926 331 HA HIS 158 HA HIS 158 16.708 12.126 11.992 332 1HB HIS 158 2HB HIS 158 18.793 12.891 14.028 333 2HB HIS 158 1HB HIS 158 18.465 13.899 12.617 334 HD1 HIS 158 1HD HIS 158 16.406 15.357 12.685 335 HD2 HIS 158 2HD HIS 158 16.430 12.520 15.739 336 HE1 HIS 158 1HE HIS 158 14.439 15.903 14.185 337 H THR 159 H THR 159 18.340 9.622 11.553 338 HA THR 159 HA THR 159 20.754 10.643 10.181 339 HB THR 159 HB THR 159 19.488 7.942 10.664 340 HG1 THR 159 1HG THR 159 21.670 9.407 11.610 341 1HG2 THR 159 1HG2 THR 159 20.695 8.270 8.354 342 2HG2 THR 159 2HG2 THR 159 21.091 6.869 9.340 343 3HG2 THR 159 3HG2 THR 159 22.161 8.269 9.331 344 H GLU 160 H GLU 160 20.768 11.112 7.998 345 HA GLU 160 HA GLU 160 18.496 11.395 6.394 346 1HB GLU 160 2HB GLU 160 21.347 11.476 6.165 347 2HB GLU 160 1HB GLU 160 20.717 10.592 4.773 348 1HG GLU 160 2HG GLU 160 18.944 12.693 4.989 349 2HG GLU 160 1HG GLU 160 20.477 13.442 5.439 350 H VAL 161 H VAL 161 17.109 9.911 5.508 351 HA VAL 161 HA VAL 161 17.865 7.038 5.534 352 HB VAL 161 HB VAL 161 15.460 6.720 5.254 353 1HG1 VAL 161 1HG1 VAL 161 14.679 8.354 7.152 354 2HG1 VAL 161 2HG1 VAL 161 16.384 8.795 7.222 355 3HG1 VAL 161 3HG1 VAL 161 15.893 7.127 7.517 356 1HG2 VAL 161 1HG2 VAL 161 14.569 8.247 3.797 357 2HG2 VAL 161 2HG2 VAL 161 15.660 9.530 4.320 358 3HG2 VAL 161 3HG2 VAL 161 14.231 9.142 5.278 359 H GLU 162 H GLU 162 16.892 5.797 3.544 360 HA GLU 162 HA GLU 162 17.182 7.325 1.003 361 1HB GLU 162 2HB GLU 162 18.904 5.092 2.062 362 2HB GLU 162 1HB GLU 162 18.701 5.291 0.321 363 1HG GLU 162 2HG GLU 162 19.248 7.828 0.893 364 2HG GLU 162 1HG GLU 162 20.037 7.101 2.293 365 H GLU 163 H GLU 163 16.211 6.174 -0.812 366 HA GLU 163 HA GLU 163 13.812 4.801 -0.320 367 1HB GLU 163 2HB GLU 163 15.744 4.770 -2.655 368 2HB GLU 163 1HB GLU 163 14.127 4.071 -2.736 369 1HG GLU 163 2HG GLU 163 14.277 6.831 -1.663 370 2HG GLU 163 1HG GLU 163 14.659 6.652 -3.376 371 H ASP 164 H ASP 164 13.329 2.684 0.188 372 HA ASP 164 HA ASP 164 15.511 0.834 0.814 373 1HB ASP 164 2HB ASP 164 13.406 1.155 2.140 374 2HB ASP 164 1HB ASP 164 12.497 0.465 0.795 375 H GLU 165 H GLU 165 16.490 -0.015 -1.039 376 HA GLU 165 HA GLU 165 15.071 -0.650 -3.474 377 1HB GLU 165 2HB GLU 165 17.767 -1.323 -2.280 378 2HB GLU 165 1HB GLU 165 17.288 -1.914 -3.872 379 1HG GLU 165 2HG GLU 165 16.785 0.484 -4.507 380 2HG GLU 165 1HG GLU 165 17.535 0.972 -2.987 381 H SER 166 H SER 166 15.586 -2.342 -0.474 382 HA SER 166 HA SER 166 14.953 -4.989 -1.631 383 1HB SER 166 2HB SER 166 14.992 -4.581 1.296 384 2HB SER 166 1HB SER 166 15.881 -5.743 0.314 385 HG SER 166 HG SER 166 17.492 -4.435 0.689 386 H ALA 167 H ALA 167 12.970 -2.658 -1.582 387 HA ALA 167 HA ALA 167 10.909 -3.416 0.344 388 1HB ALA 167 1HB ALA 167 11.380 -1.117 -0.620 389 2HB ALA 167 2HB ALA 167 9.691 -1.617 -0.714 390 3HB ALA 167 3HB ALA 167 10.717 -1.702 -2.147 391 H MET 168 H MET 168 10.706 -3.246 -3.211 392 HA MET 168 HA MET 168 8.685 -5.400 -3.217 393 1HB MET 168 2HB MET 168 9.931 -3.625 -5.339 394 2HB MET 168 1HB MET 168 8.630 -4.773 -5.657 395 1HG MET 168 2HG MET 168 7.852 -3.258 -3.386 396 2HG MET 168 1HG MET 168 8.444 -2.111 -4.589 397 1HE MET 168 1HE MET 168 4.471 -3.153 -4.146 398 2HE MET 168 2HE MET 168 5.869 -3.203 -3.074 399 3HE MET 168 3HE MET 168 5.304 -4.684 -3.843 400 HA PRO 169 HA PRO 169 12.070 -8.262 -3.968 401 1HB PRO 169 2HB PRO 169 10.542 -10.520 -3.744 402 2HB PRO 169 1HB PRO 169 11.147 -9.620 -2.338 403 1HG PRO 169 2HG PRO 169 8.441 -9.601 -3.576 404 2HG PRO 169 1HG PRO 169 8.904 -9.529 -1.869 405 1HD PRO 169 2HD PRO 169 8.133 -7.348 -3.326 406 2HD PRO 169 1HD PRO 169 9.210 -7.264 -1.914 407 H LYS 170 H LYS 170 11.553 -10.646 -5.363 408 HA LYS 170 HA LYS 170 11.268 -11.464 -7.563 409 1HB LYS 170 2HB LYS 170 8.948 -10.082 -6.727 410 2HB LYS 170 1HB LYS 170 9.242 -9.565 -8.387 411 1HG LYS 170 2HG LYS 170 8.006 -11.501 -8.752 412 2HG LYS 170 1HG LYS 170 9.647 -12.145 -8.791 413 1HD LYS 170 2HD LYS 170 8.885 -13.593 -7.214 414 2HD LYS 170 1HD LYS 170 9.098 -12.235 -6.109 415 1HE LYS 170 2HE LYS 170 6.844 -13.063 -5.789 416 2HE LYS 170 1HE LYS 170 6.704 -11.546 -6.699 417 1HZ LYS 170 1HZ LYS 170 6.476 -12.692 -8.714 418 2HZ LYS 170 2HZ LYS 170 5.477 -13.547 -7.637 419 3HZ LYS 170 3HZ LYS 170 7.006 -14.161 -8.053 420 H LYS 171 H LYS 171 13.385 -9.697 -7.317 421 HA LYS 171 HA LYS 171 13.387 -8.395 -9.983 422 1HB LYS 171 2HB LYS 171 13.228 -7.058 -7.357 423 2HB LYS 171 1HB LYS 171 14.504 -6.435 -8.404 424 1HG LYS 171 2HG LYS 171 13.010 -5.715 -10.030 425 2HG LYS 171 1HG LYS 171 11.787 -6.903 -9.578 426 1HD LYS 171 2HD LYS 171 10.882 -5.553 -7.983 427 2HD LYS 171 1HD LYS 171 12.458 -4.955 -7.462 428 1HE LYS 171 2HE LYS 171 11.933 -4.019 -10.143 429 2HE LYS 171 1HE LYS 171 10.580 -3.585 -9.080 430 1HZ LYS 171 1HZ LYS 171 12.303 -1.930 -8.882 431 2HZ LYS 171 2HZ LYS 171 13.467 -3.120 -8.544 432 3HZ LYS 171 3HZ LYS 171 12.217 -2.812 -7.436 433 H ASP 172 H ASP 172 15.501 -8.254 -10.838 434 HA ASP 172 HA ASP 172 17.832 -8.648 -10.984 435 1HB ASP 172 2HB ASP 172 17.443 -7.358 -8.667 436 2HB ASP 172 1HB ASP 172 17.987 -8.903 -8.010 437 H ALA 173 H ALA 173 19.234 -10.503 -10.942 438 HA ALA 173 HA ALA 173 18.089 -12.954 -9.648 439 1HB ALA 173 1HB ALA 173 17.488 -13.020 -11.969 440 2HB ALA 173 2HB ALA 173 18.870 -14.102 -11.795 441 3HB ALA 173 3HB ALA 173 19.093 -12.485 -12.466 442 H ARG 174 H ARG 174 19.727 -12.762 -7.977 443 HA ARG 174 HA ARG 174 22.539 -12.475 -8.541 444 1HB ARG 174 2HB ARG 174 21.034 -13.686 -6.198 445 2HB ARG 174 1HB ARG 174 22.728 -13.196 -6.170 446 1HG ARG 174 2HG ARG 174 20.448 -11.315 -6.835 447 2HG ARG 174 1HG ARG 174 21.150 -11.472 -5.224 448 1HD ARG 174 2HD ARG 174 22.621 -10.622 -7.747 449 2HD ARG 174 1HD ARG 174 22.243 -9.601 -6.346 450 HE ARG 174 HE ARG 174 23.576 -11.771 -5.246 451 1HH1 ARG 174 1HH1 ARG 174 24.885 -11.683 -8.046 452 2HH1 ARG 174 2HH1 ARG 174 26.300 -10.746 -7.700 453 1HH2 ARG 174 1HH2 ARG 174 25.113 -9.601 -4.648 454 2HH2 ARG 174 2HH2 ARG 174 26.429 -9.567 -5.774 Start of MODEL 15 1 1H ARG 113 1HT ARG 113 -4.741 12.002 14.689 2 2H ARG 113 2HT ARG 113 -4.557 13.631 15.139 3 3H ARG 113 3HT ARG 113 -3.945 13.084 13.651 4 HA ARG 113 HA ARG 113 -6.291 12.540 12.984 5 1HB ARG 113 2HB ARG 113 -6.554 13.742 15.718 6 2HB ARG 113 1HB ARG 113 -7.846 14.023 14.550 7 1HG ARG 113 2HG ARG 113 -7.637 11.417 14.162 8 2HG ARG 113 1HG ARG 113 -6.931 11.446 15.777 9 1HD ARG 113 2HD ARG 113 -9.391 11.086 15.877 10 2HD ARG 113 1HD ARG 113 -8.948 12.634 16.624 11 HE ARG 113 HE ARG 113 -9.730 13.778 14.624 12 1HH1 ARG 113 1HH1 ARG 113 -9.095 11.186 12.956 13 2HH1 ARG 113 2HH1 ARG 113 -10.691 10.810 12.400 14 1HH2 ARG 113 1HH2 ARG 113 -12.260 12.946 14.636 15 2HH2 ARG 113 2HH2 ARG 113 -12.483 11.808 13.349 16 H ILE 114 H ILE 114 -5.379 13.833 11.268 17 HA ILE 114 HA ILE 114 -5.793 16.785 11.625 18 HB ILE 114 HB ILE 114 -3.671 15.242 10.099 19 1HG1 ILE 114 2HG1 ILE 114 -2.744 17.261 11.947 20 2HG1 ILE 114 1HG1 ILE 114 -3.833 16.149 12.776 21 1HG2 ILE 114 1HG2 ILE 114 -4.732 17.567 9.230 22 2HG2 ILE 114 2HG2 ILE 114 -3.022 17.177 9.048 23 3HG2 ILE 114 3HG2 ILE 114 -3.556 18.201 10.380 24 1HD1 ILE 114 1HD1 ILE 114 -1.146 15.685 12.234 25 2HD1 ILE 114 2HD1 ILE 114 -1.984 14.764 10.984 26 3HD1 ILE 114 3HD1 ILE 114 -2.333 14.461 12.686 27 H GLU 115 H GLU 115 -7.037 17.749 10.035 28 HA GLU 115 HA GLU 115 -8.725 16.264 8.329 29 1HB GLU 115 2HB GLU 115 -9.185 18.463 7.333 30 2HB GLU 115 1HB GLU 115 -8.999 18.626 9.079 31 1HG GLU 115 2HG GLU 115 -6.410 18.858 7.881 32 2HG GLU 115 1HG GLU 115 -7.514 19.941 7.031 33 H THR 116 H THR 116 -8.594 15.720 6.110 34 HA THR 116 HA THR 116 -5.836 15.718 4.974 35 HB THR 116 HB THR 116 -8.343 14.237 4.120 36 HG1 THR 116 1HG THR 116 -6.277 13.003 5.510 37 1HG2 THR 116 1HG2 THR 116 -7.053 13.540 2.419 38 2HG2 THR 116 2HG2 THR 116 -5.945 12.820 3.587 39 3HG2 THR 116 3HG2 THR 116 -5.693 14.477 3.035 40 H ASP 117 H ASP 117 -5.451 17.417 3.598 41 HA ASP 117 HA ASP 117 -7.725 18.605 2.082 42 1HB ASP 117 2HB ASP 117 -4.861 19.562 2.285 43 2HB ASP 117 1HB ASP 117 -6.296 20.513 1.908 44 H GLU 118 H GLU 118 -5.654 16.127 1.576 45 HA GLU 118 HA GLU 118 -4.970 16.862 -1.235 46 1HB GLU 118 2HB GLU 118 -4.004 14.939 0.845 47 2HB GLU 118 1HB GLU 118 -3.759 14.515 -0.850 48 1HG GLU 118 2HG GLU 118 -2.059 15.978 -1.023 49 2HG GLU 118 1HG GLU 118 -3.075 17.288 -0.421 50 H ARG 119 H ARG 119 -5.543 15.372 -2.958 51 HA ARG 119 HA ARG 119 -8.130 14.013 -2.503 52 1HB ARG 119 2HB ARG 119 -6.410 14.549 -4.948 53 2HB ARG 119 1HB ARG 119 -8.022 13.834 -5.003 54 1HG ARG 119 2HG ARG 119 -8.835 15.896 -3.736 55 2HG ARG 119 1HG ARG 119 -7.258 16.610 -4.077 56 1HD ARG 119 2HD ARG 119 -8.493 15.418 -6.461 57 2HD ARG 119 1HD ARG 119 -9.447 16.745 -5.770 58 HE ARG 119 HE ARG 119 -6.684 17.486 -5.758 59 1HH1 ARG 119 1HH2 ARG 119 -7.776 16.133 -8.479 60 2HH1 ARG 119 2HH2 ARG 119 -7.907 17.576 -9.427 61 1HH2 ARG 119 1HH1 ARG 119 -7.522 19.708 -6.721 62 2HH2 ARG 119 2HH1 ARG 119 -7.763 19.599 -8.433 63 H ASP 120 H ASP 120 -5.569 12.901 -4.685 64 HA ASP 120 HA ASP 120 -5.330 10.367 -3.117 65 1HB ASP 120 2HB ASP 120 -5.710 9.116 -5.219 66 2HB ASP 120 1HB ASP 120 -7.098 10.136 -4.836 67 H SER 121 H SER 121 -3.558 12.765 -3.758 68 HA SER 121 HA SER 121 -1.418 11.432 -5.359 69 1HB SER 121 2HB SER 121 -2.374 13.785 -5.801 70 2HB SER 121 1HB SER 121 -1.524 14.278 -4.339 71 HG SER 121 HG SER 121 0.206 14.357 -5.512 72 H THR 122 H THR 122 -1.465 10.139 -3.044 73 HA THR 122 HA THR 122 0.300 11.539 -1.090 74 HB THR 122 HB THR 122 -1.861 10.340 -0.477 75 HG1 THR 122 1HG THR 122 0.654 9.690 0.601 76 1HG2 THR 122 1HG2 THR 122 -0.879 8.365 -2.108 77 2HG2 THR 122 2HG2 THR 122 -2.155 8.133 -0.913 78 3HG2 THR 122 3HG2 THR 122 -0.485 7.737 -0.508 79 H ASN 123 H ASN 123 0.685 9.681 -3.805 80 HA ASN 123 HA ASN 123 2.450 8.329 -4.609 81 1HB ASN 123 2HB ASN 123 3.889 9.613 -2.266 82 2HB ASN 123 1HB ASN 123 4.617 9.018 -3.759 83 1HD2 ASN 123 1HD2 ASN 123 4.308 11.863 -2.483 84 2HD2 ASN 123 2HD2 ASN 123 3.737 12.802 -3.776 85 H ARG 124 H ARG 124 4.318 6.758 -3.558 86 HA ARG 124 HA ARG 124 3.495 5.464 -1.059 87 1HB ARG 124 2HB ARG 124 1.939 4.843 -3.117 88 2HB ARG 124 1HB ARG 124 3.275 3.763 -3.519 89 1HG ARG 124 2HG ARG 124 2.874 3.434 -0.758 90 2HG ARG 124 1HG ARG 124 1.256 3.473 -1.460 91 1HD ARG 124 2HD ARG 124 3.149 1.876 -3.045 92 2HD ARG 124 1HD ARG 124 2.882 1.239 -1.410 93 HE ARG 124 HE ARG 124 0.369 2.047 -2.521 94 1HH1 ARG 124 1HH2 ARG 124 1.188 -0.613 -1.180 95 2HH1 ARG 124 2HH2 ARG 124 0.856 -1.727 -2.465 96 1HH2 ARG 124 1HH1 ARG 124 0.632 0.734 -4.898 97 2HH2 ARG 124 2HH1 ARG 124 0.534 -0.963 -4.567 98 H ALA 125 H ALA 125 5.740 5.679 -0.506 99 HA ALA 125 HA ALA 125 7.501 3.678 -1.827 100 1HB ALA 125 1HB ALA 125 8.528 5.357 -2.947 101 2HB ALA 125 2HB ALA 125 9.126 5.915 -1.384 102 3HB ALA 125 3HB ALA 125 7.633 6.581 -2.045 103 H SER 126 H SER 126 9.192 2.936 -0.434 104 HA SER 126 HA SER 126 8.793 3.672 2.437 105 1HB SER 126 2HB SER 126 10.268 1.285 2.193 106 2HB SER 126 1HB SER 126 8.566 1.434 2.619 107 HG SER 126 HG SER 126 8.163 0.553 0.766 108 H PHE 127 H PHE 127 10.460 4.724 3.428 109 HA PHE 127 HA PHE 127 13.125 4.760 2.066 110 1HB PHE 127 2HB PHE 127 12.002 6.598 4.204 111 2HB PHE 127 1HB PHE 127 13.406 6.892 3.176 112 HD1 PHE 127 1HD PHE 127 13.150 7.466 0.814 113 HD2 PHE 127 2HD PHE 127 9.734 6.766 3.319 114 HE1 PHE 127 1HE PHE 127 11.681 8.476 -0.908 115 HE2 PHE 127 2HE PHE 127 8.264 7.776 1.599 116 HZ PHE 127 HZ PHE 127 9.237 8.632 -0.517 117 H LYS 128 H LYS 128 14.938 4.065 3.218 118 HA LYS 128 HA LYS 128 14.434 3.015 5.969 119 1HB LYS 128 2HB LYS 128 14.751 1.182 4.505 120 2HB LYS 128 1HB LYS 128 16.029 2.010 3.616 121 1HG LYS 128 2HG LYS 128 17.589 1.151 4.992 122 2HG LYS 128 1HG LYS 128 16.769 1.842 6.393 123 1HD LYS 128 2HD LYS 128 15.112 -0.187 6.027 124 2HD LYS 128 1HD LYS 128 16.502 -0.895 5.203 125 1HE LYS 128 2HE LYS 128 17.038 0.376 7.849 126 2HE LYS 128 1HE LYS 128 16.157 -1.164 7.859 127 1HZ LYS 128 1HZ LYS 128 18.822 -0.977 7.623 128 2HZ LYS 128 2HZ LYS 128 18.362 -1.020 5.988 129 3HZ LYS 128 3HZ LYS 128 17.908 -2.279 7.035 130 H CYS 129 H CYS 129 15.930 3.538 7.554 131 HA CYS 129 HA CYS 129 17.820 5.713 6.958 132 1HB CYS 129 2HB CYS 129 16.280 5.716 8.899 133 2HB CYS 129 1HB CYS 129 17.054 4.257 9.503 134 HA PRO 130 HA PRO 130 21.168 2.811 6.647 135 1HB PRO 130 2HB PRO 130 23.175 4.651 6.421 136 2HB PRO 130 1HB PRO 130 22.071 4.252 5.089 137 1HG PRO 130 2HG PRO 130 22.088 6.605 6.892 138 2HG PRO 130 1HG PRO 130 21.635 6.489 5.186 139 1HD PRO 130 2HD PRO 130 19.851 6.616 7.292 140 2HD PRO 130 1HD PRO 130 19.476 5.984 5.675 141 H VAL 131 H VAL 131 20.899 5.280 9.122 142 HA VAL 131 HA VAL 131 23.246 4.304 10.602 143 HB VAL 131 HB VAL 131 21.154 6.437 10.970 144 1HG1 VAL 131 1HG1 VAL 131 21.642 5.393 13.191 145 2HG1 VAL 131 2HG1 VAL 131 22.203 7.060 13.080 146 3HG1 VAL 131 3HG1 VAL 131 23.354 5.732 12.936 147 1HG2 VAL 131 1HG2 VAL 131 23.010 7.918 10.674 148 2HG2 VAL 131 2HG2 VAL 131 23.213 6.660 9.457 149 3HG2 VAL 131 3HG2 VAL 131 24.175 6.621 10.934 150 H CYS 132 H CYS 132 19.920 4.840 11.805 151 HA CYS 132 HA CYS 132 20.282 2.566 13.643 152 1HB CYS 132 2HB CYS 132 18.330 3.432 14.706 153 2HB CYS 132 1HB CYS 132 19.237 4.840 14.162 154 H SER 133 H SER 133 19.789 2.436 10.549 155 HA SER 133 HA SER 133 18.656 1.021 9.045 156 1HB SER 133 2HB SER 133 18.176 -1.251 10.335 157 2HB SER 133 1HB SER 133 19.823 -0.722 10.009 158 HG SER 133 HG SER 133 20.103 -0.323 12.071 159 H SER 134 H SER 134 16.881 2.862 10.689 160 HA SER 134 HA SER 134 14.448 1.320 11.205 161 1HB SER 134 2HB SER 134 15.357 4.170 11.232 162 2HB SER 134 1HB SER 134 13.625 3.858 11.187 163 HG SER 134 HG SER 134 15.113 2.346 12.979 164 H THR 135 H THR 135 12.416 2.710 9.992 165 HA THR 135 HA THR 135 13.005 3.081 7.128 166 HB THR 135 HB THR 135 11.081 0.905 7.944 167 HG1 THR 135 1HG THR 135 12.855 -0.013 8.661 168 1HG2 THR 135 1HG2 THR 135 11.634 0.120 5.629 169 2HG2 THR 135 2HG2 THR 135 12.614 1.572 5.418 170 3HG2 THR 135 3HG2 THR 135 10.874 1.711 5.666 171 H PHE 136 H PHE 136 11.021 3.709 5.915 172 HA PHE 136 HA PHE 136 8.662 4.494 7.523 173 1HB PHE 136 2HB PHE 136 10.316 6.523 5.990 174 2HB PHE 136 1HB PHE 136 8.958 6.848 7.068 175 HD1 PHE 136 1HD PHE 136 9.188 6.589 9.507 176 HD2 PHE 136 2HD PHE 136 12.520 5.987 6.864 177 HE1 PHE 136 1HE PHE 136 10.740 6.711 11.437 178 HE2 PHE 136 2HE PHE 136 14.072 6.110 8.795 179 HZ PHE 136 HZ PHE 136 13.182 6.470 11.081 180 H THR 137 H THR 137 7.090 5.726 5.926 181 HA THR 137 HA THR 137 7.367 4.624 3.147 182 HB THR 137 HB THR 137 4.792 4.266 3.461 183 HG1 THR 137 1HG THR 137 4.090 4.567 5.401 184 1HG2 THR 137 1HG2 THR 137 5.246 2.045 3.808 185 2HG2 THR 137 2HG2 THR 137 6.315 2.369 5.173 186 3HG2 THR 137 3HG2 THR 137 6.897 2.595 3.524 187 H ASP 138 H ASP 138 4.962 5.605 2.155 188 HA ASP 138 HA ASP 138 5.542 8.308 1.534 189 1HB ASP 138 2HB ASP 138 3.080 8.244 0.803 190 2HB ASP 138 1HB ASP 138 4.132 7.001 0.127 191 H LEU 139 H LEU 139 3.077 7.035 3.824 192 HA LEU 139 HA LEU 139 2.078 9.494 4.768 193 1HB LEU 139 2HB LEU 139 2.536 6.776 6.011 194 2HB LEU 139 1HB LEU 139 1.761 8.072 6.921 195 HG LEU 139 HG LEU 139 0.819 6.851 4.313 196 1HD1 LEU 139 1HD1 LEU 139 -0.924 5.935 5.552 197 2HD1 LEU 139 2HD1 LEU 139 -0.801 7.155 6.818 198 3HD1 LEU 139 3HD1 LEU 139 0.390 5.858 6.725 199 1HD2 LEU 139 1HD2 LEU 139 -1.166 8.544 5.028 200 2HD2 LEU 139 2HD2 LEU 139 0.127 9.007 3.923 201 3HD2 LEU 139 3HD2 LEU 139 0.221 9.455 5.627 202 H GLU 140 H GLU 140 5.147 7.943 5.350 203 HA GLU 140 HA GLU 140 5.823 9.831 7.547 204 1HB GLU 140 2HB GLU 140 7.397 7.549 6.316 205 2HB GLU 140 1HB GLU 140 7.698 8.320 7.874 206 1HG GLU 140 2HG GLU 140 5.247 6.706 7.110 207 2HG GLU 140 1HG GLU 140 6.514 6.215 8.235 208 H ALA 141 H ALA 141 6.301 9.309 4.156 209 HA ALA 141 HA ALA 141 8.804 10.714 3.830 210 1HB ALA 141 1HB ALA 141 8.469 9.994 1.703 211 2HB ALA 141 2HB ALA 141 6.917 10.824 1.596 212 3HB ALA 141 3HB ALA 141 7.008 9.214 2.308 213 H ASN 142 H ASN 142 5.379 11.701 3.623 214 HA ASN 142 HA ASN 142 5.999 14.456 2.909 215 1HB ASN 142 2HB ASN 142 3.591 14.728 3.160 216 2HB ASN 142 1HB ASN 142 3.898 13.179 2.372 217 1HD2 ASN 142 1HD2 ASN 142 3.359 14.561 5.659 218 2HD2 ASN 142 2HD2 ASN 142 2.574 13.186 6.268 219 H GLN 143 H GLN 143 6.326 12.736 5.787 220 HA GLN 143 HA GLN 143 5.911 15.207 7.435 221 1HB GLN 143 2HB GLN 143 5.142 13.812 9.137 222 2HB GLN 143 1HB GLN 143 4.629 12.897 7.723 223 1HG GLN 143 2HG GLN 143 6.609 11.480 7.871 224 2HG GLN 143 1HG GLN 143 7.234 12.443 9.209 225 1HE2 GLN 143 1HE2 GLN 143 3.881 11.265 8.631 226 2HE2 GLN 143 2HE2 GLN 143 3.778 10.394 10.084 227 H LEU 144 H LEU 144 8.161 12.668 6.519 228 HA LEU 144 HA LEU 144 10.195 13.616 8.469 229 1HB LEU 144 2HB LEU 144 10.152 11.377 6.416 230 2HB LEU 144 1HB LEU 144 11.412 11.621 7.626 231 HG LEU 144 HG LEU 144 8.484 11.162 8.257 232 1HD1 LEU 144 1HD1 LEU 144 10.881 9.317 8.235 233 2HD1 LEU 144 2HD1 LEU 144 9.347 9.108 7.391 234 3HD1 LEU 144 3HD1 LEU 144 9.415 8.956 9.147 235 1HD2 LEU 144 1HD2 LEU 144 9.030 11.822 10.338 236 2HD2 LEU 144 2HD2 LEU 144 10.658 12.209 9.780 237 3HD2 LEU 144 3HD2 LEU 144 10.297 10.596 10.398 238 H PHE 145 H PHE 145 9.171 14.577 5.464 239 HA PHE 145 HA PHE 145 11.678 14.809 4.030 240 1HB PHE 145 2HB PHE 145 9.293 14.811 3.137 241 2HB PHE 145 1HB PHE 145 9.161 16.466 3.736 242 HD1 PHE 145 1HD PHE 145 9.433 18.061 2.069 243 HD2 PHE 145 2HD PHE 145 11.796 14.476 1.941 244 HE1 PHE 145 1HE PHE 145 10.582 18.892 0.035 245 HE2 PHE 145 2HE PHE 145 12.945 15.306 -0.093 246 HZ PHE 145 HZ PHE 145 12.339 17.514 -1.046 247 H ASP 146 H ASP 146 12.941 16.722 3.732 248 HA ASP 146 HA ASP 146 12.392 19.028 5.541 249 1HB ASP 146 2HB ASP 146 14.483 16.970 5.754 250 2HB ASP 146 1HB ASP 146 15.116 18.616 5.787 251 HA PRO 147 HA PRO 147 13.710 21.097 1.866 252 1HB PRO 147 2HB PRO 147 13.940 23.612 2.917 253 2HB PRO 147 1HB PRO 147 12.376 22.856 2.553 254 1HG PRO 147 2HG PRO 147 13.769 23.163 5.162 255 2HG PRO 147 1HG PRO 147 12.044 23.269 4.784 256 1HD PRO 147 2HD PRO 147 13.222 21.080 5.927 257 2HD PRO 147 1HD PRO 147 11.736 21.013 4.955 258 H MET 148 H MET 148 15.474 21.606 4.923 259 HA MET 148 HA MET 148 17.830 22.799 3.895 260 1HB MET 148 2HB MET 148 18.776 22.125 5.994 261 2HB MET 148 1HB MET 148 17.059 22.389 6.300 262 1HG MET 148 2HG MET 148 16.637 19.973 6.060 263 2HG MET 148 1HG MET 148 18.352 19.703 5.743 264 1HE MET 148 1HE MET 148 16.227 19.251 9.369 265 2HE MET 148 2HE MET 148 15.669 19.602 7.735 266 3HE MET 148 3HE MET 148 15.820 20.910 8.906 267 H THR 149 H THR 149 16.933 19.357 4.150 268 HA THR 149 HA THR 149 19.450 18.612 2.723 269 HB THR 149 HB THR 149 19.010 17.454 4.805 270 HG1 THR 149 1HG THR 149 19.600 16.244 2.803 271 1HG2 THR 149 1HG2 THR 149 16.848 17.406 5.456 272 2HG2 THR 149 2HG2 THR 149 16.698 15.970 4.441 273 3HG2 THR 149 3HG2 THR 149 16.265 17.554 3.798 274 H GLY 150 H GLY 150 16.102 19.097 2.199 275 1HA GLY 150 2HA GLY 150 14.779 18.775 0.287 276 2HA GLY 150 1HA GLY 150 16.267 18.402 -0.585 277 H THR 151 H THR 151 15.818 16.496 2.208 278 HA THR 151 HA THR 151 14.521 14.306 0.638 279 HB THR 151 HB THR 151 16.494 13.055 2.126 280 HG1 THR 151 1HG THR 151 18.025 14.429 2.442 281 1HG2 THR 151 1HG2 THR 151 16.204 13.929 -0.721 282 2HG2 THR 151 2HG2 THR 151 16.225 12.298 -0.047 283 3HG2 THR 151 3HG2 THR 151 17.730 13.204 -0.212 284 H PHE 152 H PHE 152 14.366 12.325 2.387 285 HA PHE 152 HA PHE 152 12.781 13.444 4.620 286 1HB PHE 152 2HB PHE 152 13.285 10.576 3.777 287 2HB PHE 152 1HB PHE 152 11.961 11.167 4.782 288 HD1 PHE 152 1HD PHE 152 13.047 10.476 1.439 289 HD2 PHE 152 2HD PHE 152 10.369 12.924 3.740 290 HE1 PHE 152 1HE PHE 152 11.696 10.912 -0.596 291 HE2 PHE 152 2HE PHE 152 9.019 13.358 1.705 292 HZ PHE 152 HZ PHE 152 9.683 12.352 -0.463 293 H ARG 153 H ARG 153 13.532 13.494 6.710 294 HA ARG 153 HA ARG 153 16.172 12.203 7.255 295 1HB ARG 153 2HB ARG 153 14.688 14.621 8.185 296 2HB ARG 153 1HB ARG 153 15.790 13.854 9.331 297 1HG ARG 153 2HG ARG 153 16.943 14.093 6.653 298 2HG ARG 153 1HG ARG 153 16.520 15.657 7.351 299 1HD ARG 153 2HD ARG 153 17.762 13.986 9.367 300 2HD ARG 153 1HD ARG 153 18.814 14.128 7.943 301 HE ARG 153 HE ARG 153 17.564 16.650 8.773 302 1HH1 ARG 153 1HH1 ARG 153 19.683 14.794 10.476 303 2HH1 ARG 153 2HH1 ARG 153 21.034 15.872 10.372 304 1HH2 ARG 153 1HH2 ARG 153 19.551 17.927 8.005 305 2HH2 ARG 153 2HH2 ARG 153 20.960 17.646 8.974 306 H CYS 154 H CYS 154 16.414 10.845 9.033 307 HA CYS 154 HA CYS 154 14.402 9.089 9.838 308 1HB CYS 154 2HB CYS 154 16.945 9.096 10.166 309 2HB CYS 154 1HB CYS 154 16.650 10.094 11.590 310 H THR 155 H THR 155 13.656 8.949 12.298 311 HA THR 155 HA THR 155 12.625 11.650 13.094 312 HB THR 155 HB THR 155 10.997 9.576 14.139 313 HG1 THR 155 1HG THR 155 11.272 8.057 12.732 314 1HG2 THR 155 1HG2 THR 155 9.919 11.546 13.548 315 2HG2 THR 155 2HG2 THR 155 9.482 10.508 12.192 316 3HG2 THR 155 3HG2 THR 155 10.787 11.682 12.019 317 H PHE 156 H PHE 156 14.318 8.781 14.112 318 HA PHE 156 HA PHE 156 14.210 9.746 16.935 319 1HB PHE 156 2HB PHE 156 15.294 7.179 16.922 320 2HB PHE 156 1HB PHE 156 13.648 7.605 17.359 321 HD1 PHE 156 1HD PHE 156 15.790 6.757 14.412 322 HD2 PHE 156 2HD PHE 156 11.837 6.813 16.089 323 HE1 PHE 156 1HE PHE 156 14.943 5.498 12.460 324 HE2 PHE 156 2HE PHE 156 10.989 5.547 14.131 325 HZ PHE 156 HZ PHE 156 12.543 4.886 12.315 326 H CYS 157 H CYS 157 16.358 8.542 14.391 327 HA CYS 157 HA CYS 157 18.660 9.602 15.979 328 1HB CYS 157 2HB CYS 157 19.771 7.698 15.414 329 2HB CYS 157 1HB CYS 157 18.176 7.076 15.022 330 H HIS 158 H HIS 158 16.689 10.852 14.015 331 HA HIS 158 HA HIS 158 16.702 12.205 12.056 332 1HB HIS 158 2HB HIS 158 18.726 13.064 14.095 333 2HB HIS 158 1HB HIS 158 18.484 14.035 12.642 334 HD1 HIS 158 1HD HIS 158 16.354 15.417 12.486 335 HD2 HIS 158 2HD HIS 158 16.335 12.818 15.745 336 HE1 HIS 158 1HE HIS 158 14.317 16.015 13.868 337 H THR 159 H THR 159 18.439 9.792 11.555 338 HA THR 159 HA THR 159 20.751 10.915 10.093 339 HB THR 159 HB THR 159 19.603 8.176 10.633 340 HG1 THR 159 1HG THR 159 21.750 9.731 11.469 341 1HG2 THR 159 1HG2 THR 159 22.119 8.681 9.043 342 2HG2 THR 159 2HG2 THR 159 20.561 8.411 8.264 343 3HG2 THR 159 3HG2 THR 159 21.268 7.156 9.274 344 H GLU 160 H GLU 160 20.889 10.864 7.774 345 HA GLU 160 HA GLU 160 18.503 11.380 6.304 346 1HB GLU 160 2HB GLU 160 21.141 11.729 5.924 347 2HB GLU 160 1HB GLU 160 20.921 10.281 4.941 348 1HG GLU 160 2HG GLU 160 19.034 11.431 3.762 349 2HG GLU 160 1HG GLU 160 19.416 12.898 4.667 350 H VAL 161 H VAL 161 16.989 9.967 5.530 351 HA VAL 161 HA VAL 161 17.478 7.056 5.691 352 HB VAL 161 HB VAL 161 15.042 7.007 5.134 353 1HG1 VAL 161 1HG1 VAL 161 15.790 9.041 7.261 354 2HG1 VAL 161 2HG1 VAL 161 15.805 7.291 7.479 355 3HG1 VAL 161 3HG1 VAL 161 14.281 8.130 7.186 356 1HG2 VAL 161 1HG2 VAL 161 14.195 8.748 3.977 357 2HG2 VAL 161 2HG2 VAL 161 15.680 9.671 4.211 358 3HG2 VAL 161 3HG2 VAL 161 14.394 9.749 5.415 359 H GLU 162 H GLU 162 16.251 5.902 3.653 360 HA GLU 162 HA GLU 162 16.896 7.205 1.080 361 1HB GLU 162 2HB GLU 162 18.473 5.019 2.393 362 2HB GLU 162 1HB GLU 162 18.309 4.996 0.637 363 1HG GLU 162 2HG GLU 162 19.100 7.390 0.608 364 2HG GLU 162 1HG GLU 162 19.442 7.238 2.331 365 H GLU 163 H GLU 163 15.560 6.389 -0.532 366 HA GLU 163 HA GLU 163 13.277 4.872 -0.035 367 1HB GLU 163 2HB GLU 163 14.934 5.653 -2.351 368 2HB GLU 163 1HB GLU 163 13.910 4.245 -2.639 369 1HG GLU 163 2HG GLU 163 11.936 5.498 -1.889 370 2HG GLU 163 1HG GLU 163 12.943 6.902 -1.536 371 H ASP 164 H ASP 164 12.925 2.727 0.402 372 HA ASP 164 HA ASP 164 15.225 0.866 0.376 373 1HB ASP 164 2HB ASP 164 13.805 0.977 2.337 374 2HB ASP 164 1HB ASP 164 12.358 0.733 1.357 375 H GLU 165 H GLU 165 15.590 -0.009 -1.654 376 HA GLU 165 HA GLU 165 13.212 -1.039 -3.166 377 1HB GLU 165 2HB GLU 165 15.456 0.629 -3.840 378 2HB GLU 165 1HB GLU 165 15.540 -0.852 -4.794 379 1HG GLU 165 2HG GLU 165 13.717 -0.300 -6.022 380 2HG GLU 165 1HG GLU 165 12.828 0.263 -4.605 381 H SER 166 H SER 166 15.136 -2.275 -1.024 382 HA SER 166 HA SER 166 15.224 -4.930 -2.193 383 1HB SER 166 2HB SER 166 17.137 -3.490 -3.233 384 2HB SER 166 1HB SER 166 17.916 -3.677 -1.664 385 HG SER 166 HG SER 166 18.565 -5.492 -2.531 386 H ALA 167 H ALA 167 14.239 -3.758 0.258 387 HA ALA 167 HA ALA 167 15.607 -5.516 2.194 388 1HB ALA 167 1HB ALA 167 16.151 -3.674 3.707 389 2HB ALA 167 2HB ALA 167 15.403 -2.515 2.608 390 3HB ALA 167 3HB ALA 167 16.879 -3.354 2.134 391 H MET 168 H MET 168 12.937 -5.470 1.069 392 HA MET 168 HA MET 168 11.045 -4.195 2.831 393 1HB MET 168 2HB MET 168 11.023 -6.406 0.788 394 2HB MET 168 1HB MET 168 9.568 -6.045 1.718 395 1HG MET 168 2HG MET 168 11.068 -3.821 0.362 396 2HG MET 168 1HG MET 168 9.952 -4.822 -0.566 397 1HE MET 168 1HE MET 168 9.113 -1.166 1.444 398 2HE MET 168 2HE MET 168 10.610 -1.945 0.937 399 3HE MET 168 3HE MET 168 10.045 -2.132 2.597 400 HA PRO 169 HA PRO 169 11.646 -7.139 6.141 401 1HB PRO 169 2HB PRO 169 9.941 -5.932 7.904 402 2HB PRO 169 1HB PRO 169 11.580 -5.332 7.583 403 1HG PRO 169 2HG PRO 169 8.971 -4.329 6.586 404 2HG PRO 169 1HG PRO 169 10.434 -3.435 7.025 405 1HD PRO 169 2HD PRO 169 9.662 -3.999 4.443 406 2HD PRO 169 1HD PRO 169 11.328 -3.640 4.944 407 H LYS 170 H LYS 170 10.190 -8.352 4.283 408 HA LYS 170 HA LYS 170 8.097 -9.729 5.708 409 1HB LYS 170 2HB LYS 170 7.347 -7.251 4.846 410 2HB LYS 170 1HB LYS 170 6.884 -8.233 3.457 411 1HG LYS 170 2HG LYS 170 5.140 -9.136 4.568 412 2HG LYS 170 1HG LYS 170 6.145 -9.511 5.969 413 1HD LYS 170 2HD LYS 170 5.970 -7.130 6.691 414 2HD LYS 170 1HD LYS 170 4.877 -6.830 5.338 415 1HE LYS 170 2HE LYS 170 3.148 -7.558 6.604 416 2HE LYS 170 1HE LYS 170 3.928 -9.146 6.733 417 1HZ LYS 170 1HZ LYS 170 3.949 -8.468 8.915 418 2HZ LYS 170 2HZ LYS 170 4.137 -6.825 8.528 419 3HZ LYS 170 3HZ LYS 170 5.457 -7.887 8.397 420 H LYS 171 H LYS 171 9.458 -8.814 2.559 421 HA LYS 171 HA LYS 171 9.164 -11.664 1.696 422 1HB LYS 171 2HB LYS 171 7.308 -10.186 0.844 423 2HB LYS 171 1HB LYS 171 8.528 -9.225 0.007 424 1HG LYS 171 2HG LYS 171 7.833 -10.734 -1.653 425 2HG LYS 171 1HG LYS 171 9.284 -11.504 -1.011 426 1HD LYS 171 2HD LYS 171 6.908 -12.230 0.515 427 2HD LYS 171 1HD LYS 171 6.755 -12.667 -1.188 428 1HE LYS 171 2HE LYS 171 9.124 -13.388 0.577 429 2HE LYS 171 1HE LYS 171 7.823 -14.500 0.105 430 1HZ LYS 171 1HZ LYS 171 9.926 -13.297 -1.541 431 2HZ LYS 171 2HZ LYS 171 8.405 -13.536 -2.258 432 3HZ LYS 171 3HZ LYS 171 9.260 -14.856 -1.613 433 H ASP 172 H ASP 172 11.295 -12.265 1.458 434 HA ASP 172 HA ASP 172 13.448 -10.443 0.863 435 1HB ASP 172 2HB ASP 172 13.349 -13.443 0.438 436 2HB ASP 172 1HB ASP 172 14.757 -12.461 0.845 437 H ALA 173 H ALA 173 14.321 -9.869 -1.123 438 HA ALA 173 HA ALA 173 14.489 -9.655 -3.471 439 1HB ALA 173 1HB ALA 173 13.336 -12.443 -3.572 440 2HB ALA 173 2HB ALA 173 14.959 -12.158 -2.942 441 3HB ALA 173 3HB ALA 173 14.571 -11.729 -4.608 442 H ARG 174 H ARG 174 11.798 -9.303 -1.925 443 HA ARG 174 HA ARG 174 9.601 -8.660 -2.512 444 1HB ARG 174 2HB ARG 174 10.834 -8.638 -5.286 445 2HB ARG 174 1HB ARG 174 9.410 -7.736 -4.763 446 1HG ARG 174 2HG ARG 174 10.724 -6.056 -4.056 447 2HG ARG 174 1HG ARG 174 11.545 -7.158 -2.950 448 1HD ARG 174 2HD ARG 174 13.387 -6.719 -4.238 449 2HD ARG 174 1HD ARG 174 12.651 -7.860 -5.381 450 HE ARG 174 HE ARG 174 11.560 -5.169 -5.631 451 1HH1 ARG 174 1HH2 ARG 174 14.400 -4.590 -6.020 452 2HH1 ARG 174 2HH2 ARG 174 14.664 -4.960 -7.692 453 1HH2 ARG 174 1HH1 ARG 174 11.760 -6.826 -8.011 454 2HH2 ARG 174 2HH1 ARG 174 13.167 -6.223 -8.819 Start of MODEL 16 1 1H ARG 113 1HT ARG 113 3.297 -16.223 -14.963 2 2H ARG 113 2HT ARG 113 3.773 -15.977 -13.351 3 3H ARG 113 3HT ARG 113 2.569 -14.997 -14.043 4 HA ARG 113 HA ARG 113 1.243 -17.142 -14.360 5 1HB ARG 113 2HB ARG 113 3.293 -18.512 -13.992 6 2HB ARG 113 1HB ARG 113 3.338 -17.958 -12.319 7 1HG ARG 113 2HG ARG 113 2.175 -19.946 -12.057 8 2HG ARG 113 1HG ARG 113 0.832 -18.833 -12.316 9 1HD ARG 113 2HD ARG 113 1.363 -19.435 -14.890 10 2HD ARG 113 1HD ARG 113 1.908 -20.941 -14.127 11 HE ARG 113 HE ARG 113 -0.669 -19.945 -13.133 12 1HH1 ARG 113 1HH2 ARG 113 0.375 -22.835 -13.306 13 2HH1 ARG 113 2HH2 ARG 113 -0.675 -23.481 -14.523 14 1HH2 ARG 113 1HH1 ARG 113 -1.759 -20.372 -15.613 15 2HH2 ARG 113 2HH1 ARG 113 -1.883 -22.086 -15.829 16 H ILE 114 H ILE 114 2.842 -16.122 -11.306 17 HA ILE 114 HA ILE 114 0.142 -15.711 -10.103 18 HB ILE 114 HB ILE 114 2.904 -15.710 -8.849 19 1HG1 ILE 114 2HG1 ILE 114 2.565 -17.859 -9.911 20 2HG1 ILE 114 1HG1 ILE 114 2.278 -18.065 -8.182 21 1HG2 ILE 114 1HG2 ILE 114 1.127 -16.589 -6.970 22 2HG2 ILE 114 2HG2 ILE 114 0.127 -15.447 -7.868 23 3HG2 ILE 114 3HG2 ILE 114 1.636 -14.908 -7.132 24 1HD1 ILE 114 1HD1 ILE 114 0.256 -17.916 -10.414 25 2HD1 ILE 114 2HD1 ILE 114 -0.206 -17.587 -8.745 26 3HD1 ILE 114 3HD1 ILE 114 0.445 -19.166 -9.184 27 H GLU 115 H GLU 115 1.264 -13.791 -12.049 28 HA GLU 115 HA GLU 115 0.779 -11.338 -10.609 29 1HB GLU 115 2HB GLU 115 3.244 -12.404 -10.118 30 2HB GLU 115 1HB GLU 115 3.601 -11.385 -11.514 31 1HG GLU 115 2HG GLU 115 1.991 -9.748 -9.986 32 2HG GLU 115 1HG GLU 115 2.924 -10.611 -8.763 33 H THR 116 H THR 116 2.566 -9.735 -12.299 34 HA THR 116 HA THR 116 2.428 -8.675 -14.411 35 HB THR 116 HB THR 116 2.045 -11.357 -15.655 36 HG1 THR 116 1HG THR 116 4.147 -10.668 -13.895 37 1HG2 THR 116 1HG2 THR 116 3.003 -8.919 -16.478 38 2HG2 THR 116 2HG2 THR 116 3.348 -10.453 -17.276 39 3HG2 THR 116 3HG2 THR 116 4.493 -9.788 -16.110 40 H ASP 117 H ASP 117 0.004 -8.405 -13.281 41 HA ASP 117 HA ASP 117 -1.973 -9.388 -15.311 42 1HB ASP 117 2HB ASP 117 -2.507 -10.240 -13.157 43 2HB ASP 117 1HB ASP 117 -2.115 -8.711 -12.369 44 H GLU 118 H GLU 118 -1.486 -6.611 -13.082 45 HA GLU 118 HA GLU 118 -1.822 -4.684 -15.256 46 1HB GLU 118 2HB GLU 118 -3.970 -3.796 -14.353 47 2HB GLU 118 1HB GLU 118 -4.127 -5.459 -14.918 48 1HG GLU 118 2HG GLU 118 -4.869 -6.046 -12.879 49 2HG GLU 118 1HG GLU 118 -3.297 -5.604 -12.212 50 H ARG 119 H ARG 119 -1.998 -2.386 -14.241 51 HA ARG 119 HA ARG 119 -0.929 -2.193 -11.483 52 1HB ARG 119 2HB ARG 119 0.768 -2.428 -13.650 53 2HB ARG 119 1HB ARG 119 0.647 -0.678 -13.455 54 1HG ARG 119 2HG ARG 119 1.729 -0.693 -11.444 55 2HG ARG 119 1HG ARG 119 0.994 -2.219 -10.947 56 1HD ARG 119 2HD ARG 119 3.494 -2.359 -11.369 57 2HD ARG 119 1HD ARG 119 2.537 -3.479 -12.360 58 HE ARG 119 HE ARG 119 2.939 -0.849 -13.589 59 1HH1 ARG 119 1HH2 ARG 119 5.364 -2.856 -12.804 60 2HH1 ARG 119 2HH2 ARG 119 5.739 -3.406 -14.403 61 1HH2 ARG 119 1HH1 ARG 119 2.866 -2.069 -15.816 62 2HH2 ARG 119 2HH1 ARG 119 4.323 -2.959 -16.111 63 H ASP 120 H ASP 120 -1.297 -0.109 -10.590 64 HA ASP 120 HA ASP 120 -2.497 1.959 -12.384 65 1HB ASP 120 2HB ASP 120 -3.713 0.414 -10.149 66 2HB ASP 120 1HB ASP 120 -4.101 2.134 -10.214 67 H SER 121 H SER 121 -1.334 1.187 -9.092 68 HA SER 121 HA SER 121 0.334 3.571 -9.008 69 1HB SER 121 2HB SER 121 -2.238 4.147 -8.636 70 2HB SER 121 1HB SER 121 -1.892 3.589 -7.001 71 HG SER 121 HG SER 121 -0.151 5.389 -8.281 72 H THR 122 H THR 122 0.825 0.800 -8.554 73 HA THR 122 HA THR 122 0.828 0.237 -5.685 74 HB THR 122 HB THR 122 2.296 -1.054 -8.010 75 HG1 THR 122 1HG THR 122 0.385 -2.536 -7.629 76 1HG2 THR 122 1HG2 THR 122 1.388 -2.659 -5.711 77 2HG2 THR 122 2HG2 THR 122 2.656 -1.493 -5.333 78 3HG2 THR 122 3HG2 THR 122 2.919 -2.708 -6.585 79 H ASN 123 H ASN 123 2.720 2.205 -7.673 80 HA ASN 123 HA ASN 123 5.359 1.738 -6.612 81 1HB ASN 123 2HB ASN 123 3.897 3.928 -8.067 82 2HB ASN 123 1HB ASN 123 5.530 4.225 -7.468 83 1HD2 ASN 123 1HD2 ASN 123 7.143 3.677 -8.936 84 2HD2 ASN 123 2HD2 ASN 123 6.996 2.509 -10.159 85 H ARG 124 H ARG 124 4.103 1.576 -4.295 86 HA ARG 124 HA ARG 124 3.418 3.964 -2.893 87 1HB ARG 124 2HB ARG 124 4.249 1.164 -2.266 88 2HB ARG 124 1HB ARG 124 4.273 2.331 -0.943 89 1HG ARG 124 2HG ARG 124 1.987 2.629 -0.976 90 2HG ARG 124 1HG ARG 124 1.863 2.293 -2.703 91 1HD ARG 124 2HD ARG 124 1.089 0.245 -2.059 92 2HD ARG 124 1HD ARG 124 2.780 -0.118 -1.660 93 HE ARG 124 HE ARG 124 1.264 1.343 0.408 94 1HH1 ARG 124 1HH1 ARG 124 3.744 -0.667 0.326 95 2HH1 ARG 124 2HH1 ARG 124 3.090 -1.921 1.326 96 1HH2 ARG 124 1HH2 ARG 124 -0.149 -0.693 1.210 97 2HH2 ARG 124 2HH2 ARG 124 0.887 -1.935 1.828 98 H ALA 125 H ALA 125 4.959 4.273 -0.704 99 HA ALA 125 HA ALA 125 7.708 4.869 -1.753 100 1HB ALA 125 1HB ALA 125 6.539 6.574 0.370 101 2HB ALA 125 2HB ALA 125 5.742 6.673 -1.199 102 3HB ALA 125 3HB ALA 125 7.462 7.037 -1.059 103 H SER 126 H SER 126 9.331 4.046 -0.489 104 HA SER 126 HA SER 126 8.805 3.517 2.398 105 1HB SER 126 2HB SER 126 8.272 1.419 1.471 106 2HB SER 126 1HB SER 126 9.496 1.562 0.213 107 HG SER 126 HG SER 126 9.688 0.506 2.681 108 H PHE 127 H PHE 127 10.467 4.564 3.416 109 HA PHE 127 HA PHE 127 13.139 4.645 2.062 110 1HB PHE 127 2HB PHE 127 12.066 6.401 4.285 111 2HB PHE 127 1HB PHE 127 13.451 6.718 3.240 112 HD1 PHE 127 1HD PHE 127 9.751 6.322 3.268 113 HD2 PHE 127 2HD PHE 127 13.185 7.733 1.108 114 HE1 PHE 127 1HE PHE 127 8.262 7.435 1.628 115 HE2 PHE 127 2HE PHE 127 11.695 8.847 -0.532 116 HZ PHE 127 HZ PHE 127 9.233 8.698 -0.272 117 H LYS 128 H LYS 128 14.973 4.028 3.272 118 HA LYS 128 HA LYS 128 14.423 2.801 5.940 119 1HB LYS 128 2HB LYS 128 14.761 0.996 4.484 120 2HB LYS 128 1HB LYS 128 15.942 1.875 3.518 121 1HG LYS 128 2HG LYS 128 17.644 1.108 4.783 122 2HG LYS 128 1HG LYS 128 16.847 1.632 6.266 123 1HD LYS 128 2HD LYS 128 15.535 -0.697 5.104 124 2HD LYS 128 1HD LYS 128 17.235 -1.009 5.459 125 1HE LYS 128 2HE LYS 128 16.455 0.361 7.712 126 2HE LYS 128 1HE LYS 128 14.994 -0.568 7.323 127 1HZ LYS 128 1HZ LYS 128 17.694 -1.528 7.941 128 2HZ LYS 128 2HZ LYS 128 16.766 -2.419 6.831 129 3HZ LYS 128 3HZ LYS 128 16.193 -2.163 8.411 130 H CYS 129 H CYS 129 15.962 3.205 7.547 131 HA CYS 129 HA CYS 129 17.879 5.391 7.001 132 1HB CYS 129 2HB CYS 129 16.260 5.449 8.887 133 2HB CYS 129 1HB CYS 129 17.003 4.000 9.548 134 HA PRO 130 HA PRO 130 21.159 2.413 6.914 135 1HB PRO 130 2HB PRO 130 23.218 4.196 6.723 136 2HB PRO 130 1HB PRO 130 22.153 3.801 5.361 137 1HG PRO 130 2HG PRO 130 22.201 6.202 7.087 138 2HG PRO 130 1HG PRO 130 21.739 6.037 5.388 139 1HD PRO 130 2HD PRO 130 19.983 6.253 7.542 140 2HD PRO 130 1HD PRO 130 19.565 5.690 5.910 141 H VAL 131 H VAL 131 20.913 4.993 9.284 142 HA VAL 131 HA VAL 131 23.159 4.019 10.894 143 HB VAL 131 HB VAL 131 21.074 6.173 11.074 144 1HG1 VAL 131 1HG1 VAL 131 22.976 5.315 13.277 145 2HG1 VAL 131 2HG1 VAL 131 21.214 5.316 13.355 146 3HG1 VAL 131 3HG1 VAL 131 22.093 6.842 13.260 147 1HG2 VAL 131 1HG2 VAL 131 24.081 6.324 11.356 148 2HG2 VAL 131 2HG2 VAL 131 22.966 7.617 10.919 149 3HG2 VAL 131 3HG2 VAL 131 23.295 6.313 9.779 150 H CYS 132 H CYS 132 19.768 4.548 11.908 151 HA CYS 132 HA CYS 132 20.064 2.316 13.814 152 1HB CYS 132 2HB CYS 132 18.065 3.201 14.779 153 2HB CYS 132 1HB CYS 132 19.011 4.595 14.264 154 H SER 133 H SER 133 19.688 2.132 10.707 155 HA SER 133 HA SER 133 18.594 0.703 9.187 156 1HB SER 133 2HB SER 133 18.114 -1.563 10.431 157 2HB SER 133 1HB SER 133 19.769 -0.994 10.258 158 HG SER 133 HG SER 133 19.814 -0.450 12.341 159 H SER 134 H SER 134 16.779 2.573 10.680 160 HA SER 134 HA SER 134 14.326 1.016 11.137 161 1HB SER 134 2HB SER 134 15.132 3.923 11.175 162 2HB SER 134 1HB SER 134 13.454 3.435 11.381 163 HG SER 134 HG SER 134 13.915 2.622 13.290 164 H THR 135 H THR 135 12.303 2.260 9.945 165 HA THR 135 HA THR 135 12.996 2.804 7.105 166 HB THR 135 HB THR 135 10.884 0.776 7.822 167 HG1 THR 135 1HG THR 135 12.533 -0.326 8.560 168 1HG2 THR 135 1HG2 THR 135 12.546 1.384 5.364 169 2HG2 THR 135 2HG2 THR 135 10.811 1.633 5.560 170 3HG2 THR 135 3HG2 THR 135 11.466 -0.004 5.502 171 H PHE 136 H PHE 136 11.103 3.643 5.895 172 HA PHE 136 HA PHE 136 8.837 4.616 7.557 173 1HB PHE 136 2HB PHE 136 10.637 6.408 5.896 174 2HB PHE 136 1HB PHE 136 9.301 6.923 6.923 175 HD1 PHE 136 1HD PHE 136 12.791 6.489 6.779 176 HD2 PHE 136 2HD PHE 136 9.448 6.049 9.439 177 HE1 PHE 136 1HE PHE 136 14.325 6.602 8.725 178 HE2 PHE 136 2HE PHE 136 10.981 6.162 11.385 179 HZ PHE 136 HZ PHE 136 13.419 6.437 11.029 180 H THR 137 H THR 137 7.319 5.927 5.974 181 HA THR 137 HA THR 137 7.367 4.696 3.244 182 HB THR 137 HB THR 137 4.718 4.749 3.852 183 HG1 THR 137 1HG THR 137 4.515 5.006 5.911 184 1HG2 THR 137 1HG2 THR 137 4.915 2.500 3.637 185 2HG2 THR 137 2HG2 THR 137 6.067 2.384 4.968 186 3HG2 THR 137 3HG2 THR 137 6.624 2.838 3.357 187 H ASP 138 H ASP 138 4.974 5.856 2.344 188 HA ASP 138 HA ASP 138 5.781 8.514 1.658 189 1HB ASP 138 2HB ASP 138 3.342 8.606 0.883 190 2HB ASP 138 1HB ASP 138 4.296 7.265 0.250 191 H LEU 139 H LEU 139 3.357 7.323 4.007 192 HA LEU 139 HA LEU 139 2.386 9.801 4.949 193 1HB LEU 139 2HB LEU 139 2.758 7.028 6.015 194 2HB LEU 139 1HB LEU 139 2.293 8.291 7.157 195 HG LEU 139 HG LEU 139 0.832 7.548 4.606 196 1HD1 LEU 139 1HD1 LEU 139 0.594 6.792 7.432 197 2HD1 LEU 139 2HD1 LEU 139 -0.103 6.029 6.004 198 3HD1 LEU 139 3HD1 LEU 139 -0.910 7.408 6.749 199 1HD2 LEU 139 1HD2 LEU 139 0.494 9.863 4.787 200 2HD2 LEU 139 2HD2 LEU 139 0.565 9.833 6.549 201 3HD2 LEU 139 3HD2 LEU 139 -0.861 9.219 5.713 202 H GLU 140 H GLU 140 5.302 7.987 5.852 203 HA GLU 140 HA GLU 140 6.112 9.941 7.887 204 1HB GLU 140 2HB GLU 140 7.656 7.697 6.548 205 2HB GLU 140 1HB GLU 140 8.004 8.429 8.116 206 1HG GLU 140 2HG GLU 140 5.567 6.783 7.376 207 2HG GLU 140 1HG GLU 140 6.846 6.335 8.506 208 H ALA 141 H ALA 141 6.296 9.697 4.491 209 HA ALA 141 HA ALA 141 8.852 11.045 4.091 210 1HB ALA 141 1HB ALA 141 7.177 9.509 2.598 211 2HB ALA 141 2HB ALA 141 8.384 10.580 1.887 212 3HB ALA 141 3HB ALA 141 6.709 11.112 2.030 213 H ASN 142 H ASN 142 5.452 12.010 4.317 214 HA ASN 142 HA ASN 142 5.958 14.785 3.540 215 1HB ASN 142 2HB ASN 142 3.586 13.527 4.953 216 2HB ASN 142 1HB ASN 142 3.586 15.012 4.000 217 1HD2 ASN 142 1HD2 ASN 142 1.818 12.994 3.220 218 2HD2 ASN 142 2HD2 ASN 142 2.359 12.273 1.782 219 H GLN 143 H GLN 143 6.497 12.984 6.358 220 HA GLN 143 HA GLN 143 6.268 15.417 8.095 221 1HB GLN 143 2HB GLN 143 5.881 13.894 9.891 222 2HB GLN 143 1HB GLN 143 4.960 13.237 8.539 223 1HG GLN 143 2HG GLN 143 6.828 11.702 8.017 224 2HG GLN 143 1HG GLN 143 7.734 12.352 9.384 225 1HE2 GLN 143 1HE2 GLN 143 4.299 11.287 8.977 226 2HE2 GLN 143 2HE2 GLN 143 4.310 10.262 10.330 227 H LEU 144 H LEU 144 8.436 13.022 6.774 228 HA LEU 144 HA LEU 144 10.647 13.860 8.588 229 1HB LEU 144 2HB LEU 144 10.282 11.683 6.507 230 2HB LEU 144 1HB LEU 144 11.794 11.943 7.378 231 HG LEU 144 HG LEU 144 9.108 11.349 8.653 232 1HD1 LEU 144 1HD1 LEU 144 11.314 9.491 9.114 233 2HD1 LEU 144 2HD1 LEU 144 10.884 9.604 7.408 234 3HD1 LEU 144 3HD1 LEU 144 9.661 9.159 8.598 235 1HD2 LEU 144 1HD2 LEU 144 10.030 12.087 10.573 236 2HD2 LEU 144 2HD2 LEU 144 11.468 12.583 9.680 237 3HD2 LEU 144 3HD2 LEU 144 11.373 10.963 10.368 238 H PHE 145 H PHE 145 9.578 14.041 5.234 239 HA PHE 145 HA PHE 145 11.971 14.832 3.950 240 1HB PHE 145 2HB PHE 145 9.813 14.248 2.875 241 2HB PHE 145 1HB PHE 145 9.112 15.745 3.490 242 HD1 PHE 145 1HD PHE 145 9.966 17.952 2.692 243 HD2 PHE 145 2HD PHE 145 11.277 14.240 0.972 244 HE1 PHE 145 1HE PHE 145 10.856 19.176 0.727 245 HE2 PHE 145 2HE PHE 145 12.167 15.464 -0.992 246 HZ PHE 145 HZ PHE 145 11.958 17.931 -1.115 247 H ASP 146 H ASP 146 13.203 16.655 4.148 248 HA ASP 146 HA ASP 146 11.994 19.036 5.517 249 1HB ASP 146 2HB ASP 146 14.575 17.568 5.689 250 2HB ASP 146 1HB ASP 146 14.679 19.326 5.802 251 HA PRO 147 HA PRO 147 12.762 21.086 1.674 252 1HB PRO 147 2HB PRO 147 12.342 23.644 2.548 253 2HB PRO 147 1HB PRO 147 11.023 22.494 2.254 254 1HG PRO 147 2HG PRO 147 12.268 23.331 4.820 255 2HG PRO 147 1HG PRO 147 10.577 22.957 4.452 256 1HD PRO 147 2HD PRO 147 12.287 21.240 5.732 257 2HD PRO 147 1HD PRO 147 10.862 20.722 4.804 258 H MET 148 H MET 148 14.784 21.060 4.314 259 HA MET 148 HA MET 148 16.616 23.184 3.332 260 1HB MET 148 2HB MET 148 17.705 22.843 5.458 261 2HB MET 148 1HB MET 148 15.967 22.818 5.760 262 1HG MET 148 2HG MET 148 16.323 20.204 5.276 263 2HG MET 148 1HG MET 148 17.941 20.585 5.863 264 1HE MET 148 1HE MET 148 17.739 18.986 7.647 265 2HE MET 148 2HE MET 148 16.051 18.511 7.472 266 3HE MET 148 3HE MET 148 16.652 19.037 9.043 267 H THR 149 H THR 149 16.201 19.735 3.216 268 HA THR 149 HA THR 149 18.920 19.483 1.970 269 HB THR 149 HB THR 149 18.850 18.511 4.224 270 HG1 THR 149 1HG THR 149 19.821 17.386 2.322 271 1HG2 THR 149 1HG2 THR 149 16.855 17.759 4.950 272 2HG2 THR 149 2HG2 THR 149 17.141 16.315 3.979 273 3HG2 THR 149 3HG2 THR 149 16.224 17.663 3.306 274 H GLY 150 H GLY 150 15.609 19.264 1.491 275 1HA GLY 150 2HA GLY 150 14.305 18.313 -0.213 276 2HA GLY 150 1HA GLY 150 15.806 18.203 -1.134 277 H THR 151 H THR 151 15.291 16.608 1.971 278 HA THR 151 HA THR 151 14.893 13.987 0.627 279 HB THR 151 HB THR 151 17.006 13.856 2.629 280 HG1 THR 151 1HG THR 151 17.817 15.190 0.320 281 1HG2 THR 151 1HG2 THR 151 17.941 13.234 0.029 282 2HG2 THR 151 2HG2 THR 151 16.256 12.719 0.097 283 3HG2 THR 151 3HG2 THR 151 17.412 12.108 1.279 284 H PHE 152 H PHE 152 14.656 12.231 2.415 285 HA PHE 152 HA PHE 152 12.934 13.353 4.561 286 1HB PHE 152 2HB PHE 152 13.457 10.486 3.718 287 2HB PHE 152 1HB PHE 152 12.105 11.074 4.688 288 HD1 PHE 152 1HD PHE 152 13.599 11.009 1.306 289 HD2 PHE 152 2HD PHE 152 10.236 12.237 3.680 290 HE1 PHE 152 1HE PHE 152 12.307 11.467 -0.760 291 HE2 PHE 152 2HE PHE 152 8.944 12.694 1.613 292 HZ PHE 152 HZ PHE 152 9.979 12.309 -0.607 293 H ARG 153 H ARG 153 13.570 13.328 6.700 294 HA ARG 153 HA ARG 153 16.219 12.084 7.321 295 1HB ARG 153 2HB ARG 153 14.641 14.445 8.255 296 2HB ARG 153 1HB ARG 153 15.735 13.681 9.410 297 1HG ARG 153 2HG ARG 153 17.473 13.794 7.465 298 2HG ARG 153 1HG ARG 153 16.389 15.012 6.791 299 1HD ARG 153 2HD ARG 153 17.118 16.568 8.271 300 2HD ARG 153 1HD ARG 153 16.853 15.466 9.636 301 HE ARG 153 HE ARG 153 19.081 14.395 8.446 302 1HH1 ARG 153 1HH1 ARG 153 18.226 17.166 10.220 303 2HH1 ARG 153 2HH1 ARG 153 19.818 17.847 10.220 304 1HH2 ARG 153 1HH2 ARG 153 21.138 15.442 8.097 305 2HH2 ARG 153 2HH2 ARG 153 21.468 16.871 9.019 306 H CYS 154 H CYS 154 16.414 10.665 9.058 307 HA CYS 154 HA CYS 154 14.369 8.897 9.778 308 1HB CYS 154 2HB CYS 154 16.898 8.841 10.146 309 2HB CYS 154 1HB CYS 154 16.616 9.844 11.568 310 H THR 155 H THR 155 13.541 8.709 12.201 311 HA THR 155 HA THR 155 12.536 11.410 13.033 312 HB THR 155 HB THR 155 10.857 9.378 14.036 313 HG1 THR 155 1HG THR 155 11.024 8.940 11.303 314 1HG2 THR 155 1HG2 THR 155 10.772 11.654 12.243 315 2HG2 THR 155 2HG2 THR 155 9.510 11.021 13.300 316 3HG2 THR 155 3HG2 THR 155 9.710 10.367 11.675 317 H PHE 156 H PHE 156 14.202 8.527 14.061 318 HA PHE 156 HA PHE 156 14.031 9.468 16.889 319 1HB PHE 156 2HB PHE 156 15.081 6.884 16.879 320 2HB PHE 156 1HB PHE 156 13.435 7.334 17.289 321 HD1 PHE 156 1HD PHE 156 15.615 6.476 14.376 322 HD2 PHE 156 2HD PHE 156 11.634 6.591 15.980 323 HE1 PHE 156 1HE PHE 156 14.779 5.259 12.390 324 HE2 PHE 156 2HE PHE 156 10.796 5.369 13.991 325 HZ PHE 156 HZ PHE 156 12.369 4.702 12.195 326 H CYS 157 H CYS 157 16.234 8.297 14.378 327 HA CYS 157 HA CYS 157 18.499 9.292 16.060 328 1HB CYS 157 2HB CYS 157 19.618 7.393 15.486 329 2HB CYS 157 1HB CYS 157 18.027 6.785 15.063 330 H HIS 158 H HIS 158 16.611 10.602 14.043 331 HA HIS 158 HA HIS 158 16.721 11.974 12.091 332 1HB HIS 158 2HB HIS 158 18.642 12.783 14.241 333 2HB HIS 158 1HB HIS 158 18.520 13.765 12.778 334 HD1 HIS 158 1HD HIS 158 16.353 15.090 12.403 335 HD2 HIS 158 2HD HIS 158 16.229 12.694 15.812 336 HE1 HIS 158 1HE HIS 158 14.268 15.761 13.675 337 H THR 159 H THR 159 18.401 9.550 11.599 338 HA THR 159 HA THR 159 20.814 10.659 10.286 339 HB THR 159 HB THR 159 19.618 7.910 10.697 340 HG1 THR 159 1HG THR 159 21.004 9.316 12.227 341 1HG2 THR 159 1HG2 THR 159 20.782 8.256 8.412 342 2HG2 THR 159 2HG2 THR 159 21.347 6.926 9.415 343 3HG2 THR 159 3HG2 THR 159 22.266 8.427 9.347 344 H GLU 160 H GLU 160 20.941 10.981 8.058 345 HA GLU 160 HA GLU 160 18.670 11.376 6.456 346 1HB GLU 160 2HB GLU 160 21.432 11.578 6.250 347 2HB GLU 160 1HB GLU 160 21.023 10.396 5.005 348 1HG GLU 160 2HG GLU 160 19.249 11.990 4.186 349 2HG GLU 160 1HG GLU 160 19.887 13.187 5.313 350 H VAL 161 H VAL 161 17.277 9.977 5.442 351 HA VAL 161 HA VAL 161 17.889 7.063 5.531 352 HB VAL 161 HB VAL 161 15.454 6.881 5.128 353 1HG1 VAL 161 1HG1 VAL 161 15.607 7.031 7.397 354 2HG1 VAL 161 2HG1 VAL 161 14.889 8.623 7.153 355 3HG1 VAL 161 3HG1 VAL 161 16.636 8.461 7.331 356 1HG2 VAL 161 1HG2 VAL 161 15.866 9.636 4.267 357 2HG2 VAL 161 2HG2 VAL 161 14.547 9.509 5.433 358 3HG2 VAL 161 3HG2 VAL 161 14.507 8.559 3.947 359 H GLU 162 H GLU 162 16.536 6.021 3.477 360 HA GLU 162 HA GLU 162 17.056 7.479 0.965 361 1HB GLU 162 2HB GLU 162 18.706 5.218 2.051 362 2HB GLU 162 1HB GLU 162 18.469 5.333 0.306 363 1HG GLU 162 2HG GLU 162 19.098 7.894 0.787 364 2HG GLU 162 1HG GLU 162 19.956 7.154 2.141 365 H GLU 163 H GLU 163 15.666 6.726 -0.641 366 HA GLU 163 HA GLU 163 13.399 5.203 -0.125 367 1HB GLU 163 2HB GLU 163 14.406 6.542 -2.230 368 2HB GLU 163 1HB GLU 163 14.707 4.897 -2.791 369 1HG GLU 163 2HG GLU 163 12.522 4.564 -3.231 370 2HG GLU 163 1HG GLU 163 12.053 5.139 -1.630 371 H ASP 164 H ASP 164 13.059 3.057 0.297 372 HA ASP 164 HA ASP 164 15.334 1.168 0.021 373 1HB ASP 164 2HB ASP 164 13.789 1.574 2.080 374 2HB ASP 164 1HB ASP 164 12.609 0.611 1.190 375 H GLU 165 H GLU 165 15.433 0.227 -1.996 376 HA GLU 165 HA GLU 165 12.974 -0.279 -3.549 377 1HB GLU 165 2HB GLU 165 14.651 -0.979 -5.258 378 2HB GLU 165 1HB GLU 165 15.005 0.618 -4.599 379 1HG GLU 165 2HG GLU 165 16.889 -0.099 -3.509 380 2HG GLU 165 1HG GLU 165 16.211 -1.691 -3.167 381 H SER 166 H SER 166 14.909 -1.957 -1.279 382 HA SER 166 HA SER 166 14.248 -4.643 -2.357 383 1HB SER 166 2HB SER 166 15.826 -3.639 0.030 384 2HB SER 166 1HB SER 166 15.670 -5.339 -0.405 385 HG SER 166 HG SER 166 16.590 -4.782 -2.446 386 H ALA 167 H ALA 167 14.204 -3.548 1.026 387 HA ALA 167 HA ALA 167 12.581 -3.886 2.713 388 1HB ALA 167 1HB ALA 167 11.121 -3.141 0.196 389 2HB ALA 167 2HB ALA 167 11.327 -2.208 1.680 390 3HB ALA 167 3HB ALA 167 10.190 -3.556 1.636 391 H MET 168 H MET 168 13.581 -6.274 1.247 392 HA MET 168 HA MET 168 11.344 -8.109 1.947 393 1HB MET 168 2HB MET 168 12.505 -7.546 -0.735 394 2HB MET 168 1HB MET 168 12.188 -9.240 -0.361 395 1HG MET 168 2HG MET 168 9.969 -7.599 0.503 396 2HG MET 168 1HG MET 168 10.313 -7.310 -1.203 397 1HE MET 168 1HE MET 168 8.079 -9.756 -2.600 398 2HE MET 168 2HE MET 168 9.557 -8.950 -3.117 399 3HE MET 168 3HE MET 168 8.375 -8.071 -2.150 400 HA PRO 169 HA PRO 169 14.588 -10.683 3.403 401 1HB PRO 169 2HB PRO 169 13.680 -13.191 2.788 402 2HB PRO 169 1HB PRO 169 12.968 -12.195 4.073 403 1HG PRO 169 2HG PRO 169 11.998 -12.689 1.305 404 2HG PRO 169 1HG PRO 169 11.082 -12.532 2.811 405 1HD PRO 169 2HD PRO 169 11.309 -10.537 0.955 406 2HD PRO 169 1HD PRO 169 11.020 -10.250 2.686 407 H LYS 170 H LYS 170 16.171 -12.473 2.653 408 HA LYS 170 HA LYS 170 17.513 -11.775 0.286 409 1HB LYS 170 2HB LYS 170 17.413 -14.065 2.175 410 2HB LYS 170 1HB LYS 170 18.171 -14.394 0.616 411 1HG LYS 170 2HG LYS 170 19.673 -12.472 0.920 412 2HG LYS 170 1HG LYS 170 18.904 -12.104 2.464 413 1HD LYS 170 2HD LYS 170 20.038 -13.740 3.551 414 2HD LYS 170 1HD LYS 170 19.813 -14.892 2.234 415 1HE LYS 170 2HE LYS 170 21.570 -12.865 1.268 416 2HE LYS 170 1HE LYS 170 22.168 -13.378 2.859 417 1HZ LYS 170 1HZ LYS 170 21.495 -15.719 1.931 418 2HZ LYS 170 2HZ LYS 170 23.012 -15.046 1.572 419 3HZ LYS 170 3HZ LYS 170 21.754 -14.971 0.432 420 H LYS 171 H LYS 171 16.403 -15.098 0.304 421 HA LYS 171 HA LYS 171 14.303 -14.889 -1.639 422 1HB LYS 171 2HB LYS 171 16.033 -13.961 -3.055 423 2HB LYS 171 1HB LYS 171 17.139 -15.272 -2.643 424 1HG LYS 171 2HG LYS 171 15.715 -16.895 -3.757 425 2HG LYS 171 1HG LYS 171 14.486 -15.666 -4.057 426 1HD LYS 171 2HD LYS 171 15.539 -15.495 -6.077 427 2HD LYS 171 1HD LYS 171 16.643 -14.458 -5.173 428 1HE LYS 171 2HE LYS 171 18.338 -15.994 -5.247 429 2HE LYS 171 1HE LYS 171 17.232 -17.362 -5.010 430 1HZ LYS 171 1HZ LYS 171 17.403 -15.758 -7.505 431 2HZ LYS 171 2HZ LYS 171 16.469 -17.155 -7.256 432 3HZ LYS 171 3HZ LYS 171 18.165 -17.257 -7.285 433 H ASP 172 H ASP 172 17.149 -17.036 -1.766 434 HA ASP 172 HA ASP 172 15.636 -19.208 -0.431 435 1HB ASP 172 2HB ASP 172 15.743 -18.801 -3.258 436 2HB ASP 172 1HB ASP 172 16.700 -20.235 -2.889 437 H ALA 173 H ALA 173 18.471 -18.992 -2.617 438 HA ALA 173 HA ALA 173 20.057 -20.750 -0.930 439 1HB ALA 173 1HB ALA 173 21.704 -19.331 -2.725 440 2HB ALA 173 2HB ALA 173 20.140 -19.469 -3.529 441 3HB ALA 173 3HB ALA 173 20.984 -20.920 -2.984 442 H ARG 174 H ARG 174 22.084 -20.102 0.123 443 HA ARG 174 HA ARG 174 21.831 -17.493 1.488 444 1HB ARG 174 2HB ARG 174 23.186 -20.106 1.846 445 2HB ARG 174 1HB ARG 174 24.053 -18.711 2.491 446 1HG ARG 174 2HG ARG 174 22.659 -19.427 4.275 447 2HG ARG 174 1HG ARG 174 21.817 -18.042 3.579 448 1HD ARG 174 2HD ARG 174 20.092 -19.329 2.779 449 2HD ARG 174 1HD ARG 174 21.161 -20.691 2.387 450 HE ARG 174 HE ARG 174 21.085 -20.313 5.232 451 1HH1 ARG 174 1HH1 ARG 174 20.478 -22.645 3.077 452 2HH1 ARG 174 2HH1 ARG 174 19.006 -23.236 3.774 453 1HH2 ARG 174 1HH2 ARG 174 18.634 -20.540 5.924 454 2HH2 ARG 174 2HH2 ARG 174 17.962 -22.043 5.387 Start of MODEL 17 1 1H ARG 113 1HT ARG 113 -14.232 17.809 -5.050 2 2H ARG 113 2HT ARG 113 -14.702 17.192 -3.538 3 3H ARG 113 3HT ARG 113 -14.737 16.195 -4.913 4 HA ARG 113 HA ARG 113 -12.312 16.332 -5.096 5 1HB ARG 113 2HB ARG 113 -12.877 18.578 -3.469 6 2HB ARG 113 1HB ARG 113 -11.899 17.494 -2.479 7 1HG ARG 113 2HG ARG 113 -10.058 17.692 -3.834 8 2HG ARG 113 1HG ARG 113 -11.025 17.873 -5.298 9 1HD ARG 113 2HD ARG 113 -11.674 20.183 -4.486 10 2HD ARG 113 1HD ARG 113 -10.471 19.990 -3.194 11 HE ARG 113 HE ARG 113 -9.750 19.745 -6.093 12 1HH1 ARG 113 1HH1 ARG 113 -8.042 19.157 -3.491 13 2HH1 ARG 113 2HH1 ARG 113 -6.992 20.534 -3.538 14 1HH2 ARG 113 1HH2 ARG 113 -8.885 22.228 -5.898 15 2HH2 ARG 113 2HH2 ARG 113 -7.467 22.271 -4.903 16 H ILE 114 H ILE 114 -13.549 14.150 -4.650 17 HA ILE 114 HA ILE 114 -13.023 13.237 -1.843 18 HB ILE 114 HB ILE 114 -15.362 13.179 -2.700 19 1HG1 ILE 114 2HG1 ILE 114 -15.688 10.656 -2.332 20 2HG1 ILE 114 1HG1 ILE 114 -13.932 10.565 -2.175 21 1HG2 ILE 114 1HG2 ILE 114 -14.096 12.320 -5.059 22 2HG2 ILE 114 2HG2 ILE 114 -15.833 12.446 -4.779 23 3HG2 ILE 114 3HG2 ILE 114 -15.001 10.919 -4.483 24 1HD1 ILE 114 1HD1 ILE 114 -14.105 11.227 -0.034 25 2HD1 ILE 114 2HD1 ILE 114 -15.854 11.379 -0.207 26 3HD1 ILE 114 3HD1 ILE 114 -14.807 12.751 -0.576 27 H GLU 115 H GLU 115 -11.628 11.497 -1.545 28 HA GLU 115 HA GLU 115 -10.571 10.134 -3.999 29 1HB GLU 115 2HB GLU 115 -9.124 11.291 -1.599 30 2HB GLU 115 1HB GLU 115 -8.349 10.224 -2.771 31 1HG GLU 115 2HG GLU 115 -9.590 12.090 -4.387 32 2HG GLU 115 1HG GLU 115 -9.056 13.062 -3.015 33 H THR 116 H THR 116 -10.215 7.905 -3.746 34 HA THR 116 HA THR 116 -10.965 6.748 -1.079 35 HB THR 116 HB THR 116 -11.694 4.796 -2.608 36 HG1 THR 116 1HG THR 116 -10.516 5.748 -4.421 37 1HG2 THR 116 1HG2 THR 116 -13.751 6.237 -3.387 38 2HG2 THR 116 2HG2 THR 116 -12.984 7.498 -2.424 39 3HG2 THR 116 3HG2 THR 116 -13.466 5.980 -1.666 40 H ASP 117 H ASP 117 -8.640 6.791 -0.512 41 HA ASP 117 HA ASP 117 -6.994 4.786 -2.016 42 1HB ASP 117 2HB ASP 117 -6.517 7.380 -0.658 43 2HB ASP 117 1HB ASP 117 -5.265 6.162 -0.417 44 H GLU 118 H GLU 118 -7.749 2.911 -0.864 45 HA GLU 118 HA GLU 118 -6.543 2.561 1.800 46 1HB GLU 118 2HB GLU 118 -8.747 2.010 2.828 47 2HB GLU 118 1HB GLU 118 -8.676 3.685 2.278 48 1HG GLU 118 2HG GLU 118 -9.779 2.968 0.140 49 2HG GLU 118 1HG GLU 118 -9.976 1.359 0.835 50 H ARG 119 H ARG 119 -6.264 1.291 -0.844 51 HA ARG 119 HA ARG 119 -7.665 -1.264 -0.805 52 1HB ARG 119 2HB ARG 119 -5.655 0.198 -2.414 53 2HB ARG 119 1HB ARG 119 -5.521 -1.559 -2.479 54 1HG ARG 119 2HG ARG 119 -7.062 -1.203 -4.175 55 2HG ARG 119 1HG ARG 119 -8.150 -1.416 -2.803 56 1HD ARG 119 2HD ARG 119 -7.891 1.183 -2.519 57 2HD ARG 119 1HD ARG 119 -7.380 1.127 -4.219 58 HE ARG 119 HE ARG 119 -10.058 0.394 -3.197 59 1HH1 ARG 119 1HH2 ARG 119 -7.757 -0.192 -5.663 60 2HH1 ARG 119 2HH2 ARG 119 -8.916 -0.169 -6.950 61 1HH2 ARG 119 1HH1 ARG 119 -11.572 0.706 -4.899 62 2HH2 ARG 119 2HH1 ARG 119 -11.075 0.344 -6.518 63 H ASP 120 H ASP 120 -6.018 -3.285 -1.050 64 HA ASP 120 HA ASP 120 -4.368 -3.267 1.447 65 1HB ASP 120 2HB ASP 120 -6.079 -5.193 -0.032 66 2HB ASP 120 1HB ASP 120 -4.643 -5.875 0.732 67 H SER 121 H SER 121 -3.304 -2.145 -1.017 68 HA SER 121 HA SER 121 -0.802 -3.586 -1.177 69 1HB SER 121 2HB SER 121 -1.179 -4.950 -2.961 70 2HB SER 121 1HB SER 121 -2.886 -4.703 -2.605 71 HG SER 121 HG SER 121 -1.415 -3.855 -4.711 72 H THR 122 H THR 122 -1.824 -0.816 -0.887 73 HA THR 122 HA THR 122 -1.478 0.709 -3.285 74 HB THR 122 HB THR 122 -1.158 2.566 -1.632 75 HG1 THR 122 1HG THR 122 -0.266 1.968 0.157 76 1HG2 THR 122 1HG2 THR 122 -3.401 1.099 -2.126 77 2HG2 THR 122 2HG2 THR 122 -3.377 2.555 -1.132 78 3HG2 THR 122 3HG2 THR 122 -3.297 0.966 -0.371 79 H ASN 123 H ASN 123 0.812 0.443 -0.534 80 HA ASN 123 HA ASN 123 3.163 0.797 -0.520 81 1HB ASN 123 2HB ASN 123 2.311 -1.300 -2.400 82 2HB ASN 123 1HB ASN 123 3.937 -0.693 -2.718 83 1HD2 ASN 123 1HD2 ASN 123 1.898 -1.994 -0.053 84 2HD2 ASN 123 2HD2 ASN 123 3.198 -2.643 0.824 85 H ARG 124 H ARG 124 3.057 3.109 -1.131 86 HA ARG 124 HA ARG 124 3.639 3.634 -4.019 87 1HB ARG 124 2HB ARG 124 1.663 4.650 -2.635 88 2HB ARG 124 1HB ARG 124 2.909 5.692 -1.947 89 1HG ARG 124 2HG ARG 124 3.589 6.245 -4.341 90 2HG ARG 124 1HG ARG 124 2.105 5.441 -4.854 91 1HD ARG 124 2HD ARG 124 0.901 7.005 -3.171 92 2HD ARG 124 1HD ARG 124 2.399 7.958 -3.208 93 HE ARG 124 HE ARG 124 1.607 7.286 -5.888 94 1HH1 ARG 124 1HH1 ARG 124 2.544 9.989 -5.257 95 2HH1 ARG 124 2HH1 ARG 124 1.098 10.939 -5.317 96 1HH2 ARG 124 1HH2 ARG 124 -1.025 8.207 -5.080 97 2HH2 ARG 124 2HH2 ARG 124 -0.922 9.931 -5.217 98 H ALA 125 H ALA 125 4.616 4.650 -0.737 99 HA ALA 125 HA ALA 125 7.336 5.257 -1.852 100 1HB ALA 125 1HB ALA 125 6.193 6.695 0.518 101 2HB ALA 125 2HB ALA 125 5.621 7.135 -1.091 102 3HB ALA 125 3HB ALA 125 7.333 7.277 -0.694 103 H SER 126 H SER 126 9.039 4.388 -0.698 104 HA SER 126 HA SER 126 8.600 3.410 2.072 105 1HB SER 126 2HB SER 126 8.367 1.267 1.395 106 2HB SER 126 1HB SER 126 8.445 1.798 -0.282 107 HG SER 126 HG SER 126 10.664 1.567 -0.220 108 H PHE 127 H PHE 127 10.331 4.316 3.121 109 HA PHE 127 HA PHE 127 12.975 4.359 1.698 110 1HB PHE 127 2HB PHE 127 12.027 6.181 3.923 111 2HB PHE 127 1HB PHE 127 13.379 6.438 2.819 112 HD1 PHE 127 1HD PHE 127 9.777 6.713 3.289 113 HD2 PHE 127 2HD PHE 127 12.948 6.900 0.397 114 HE1 PHE 127 1HE PHE 127 8.259 7.860 1.699 115 HE2 PHE 127 2HE PHE 127 11.429 8.048 -1.193 116 HZ PHE 127 HZ PHE 127 9.086 8.528 -0.542 117 H LYS 128 H LYS 128 14.822 4.502 3.439 118 HA LYS 128 HA LYS 128 14.218 2.986 5.905 119 1HB LYS 128 2HB LYS 128 14.557 1.225 4.320 120 2HB LYS 128 1HB LYS 128 15.941 2.048 3.606 121 1HG LYS 128 2HG LYS 128 17.268 0.890 5.009 122 2HG LYS 128 1HG LYS 128 16.553 1.797 6.343 123 1HD LYS 128 2HD LYS 128 15.582 -0.085 7.095 124 2HD LYS 128 1HD LYS 128 14.689 -0.222 5.580 125 1HE LYS 128 2HE LYS 128 16.264 -1.671 4.628 126 2HE LYS 128 1HE LYS 128 17.565 -1.116 5.700 127 1HZ LYS 128 1HZ LYS 128 16.986 -2.993 6.814 128 2HZ LYS 128 2HZ LYS 128 15.386 -2.987 6.241 129 3HZ LYS 128 3HZ LYS 128 15.843 -1.949 7.506 130 H CYS 129 H CYS 129 15.768 3.370 7.531 131 HA CYS 129 HA CYS 129 17.659 5.581 6.997 132 1HB CYS 129 2HB CYS 129 16.046 5.604 8.890 133 2HB CYS 129 1HB CYS 129 16.810 4.154 9.536 134 HA PRO 130 HA PRO 130 20.972 2.626 6.855 135 1HB PRO 130 2HB PRO 130 23.011 4.428 6.629 136 2HB PRO 130 1HB PRO 130 21.935 4.011 5.282 137 1HG PRO 130 2HG PRO 130 21.967 6.421 6.999 138 2HG PRO 130 1HG PRO 130 21.511 6.247 5.299 139 1HD PRO 130 2HD PRO 130 19.743 6.463 7.433 140 2HD PRO 130 1HD PRO 130 19.340 5.853 5.815 141 H VAL 131 H VAL 131 20.732 5.227 9.202 142 HA VAL 131 HA VAL 131 22.988 4.277 10.811 143 HB VAL 131 HB VAL 131 20.853 6.388 11.063 144 1HG1 VAL 131 1HG1 VAL 131 21.326 5.418 13.317 145 2HG1 VAL 131 2HG1 VAL 131 21.866 7.090 13.169 146 3HG1 VAL 131 3HG1 VAL 131 23.037 5.775 13.077 147 1HG2 VAL 131 1HG2 VAL 131 22.845 6.700 9.553 148 2HG2 VAL 131 2HG2 VAL 131 23.882 6.537 10.969 149 3HG2 VAL 131 3HG2 VAL 131 22.760 7.889 10.852 150 H CYS 132 H CYS 132 19.631 4.838 11.910 151 HA CYS 132 HA CYS 132 19.932 2.602 13.802 152 1HB CYS 132 2HB CYS 132 17.960 3.486 14.797 153 2HB CYS 132 1HB CYS 132 18.859 4.890 14.229 154 H SER 133 H SER 133 19.540 2.388 10.700 155 HA SER 133 HA SER 133 18.441 0.941 9.202 156 1HB SER 133 2HB SER 133 17.977 -1.312 10.470 157 2HB SER 133 1HB SER 133 19.630 -0.736 10.289 158 HG SER 133 HG SER 133 17.924 -0.333 12.528 159 H SER 134 H SER 134 16.630 2.799 10.832 160 HA SER 134 HA SER 134 14.194 1.246 11.282 161 1HB SER 134 2HB SER 134 15.029 4.134 11.267 162 2HB SER 134 1HB SER 134 13.318 3.723 11.333 163 HG SER 134 HG SER 134 15.111 2.417 13.048 164 H THR 135 H THR 135 12.186 2.622 10.018 165 HA THR 135 HA THR 135 12.882 2.961 7.167 166 HB THR 135 HB THR 135 10.822 0.896 7.914 167 HG1 THR 135 1HG THR 135 13.598 0.474 7.519 168 1HG2 THR 135 1HG2 THR 135 11.000 1.803 5.584 169 2HG2 THR 135 2HG2 THR 135 11.300 0.068 5.683 170 3HG2 THR 135 3HG2 THR 135 12.652 1.188 5.518 171 H PHE 136 H PHE 136 11.026 3.745 5.906 172 HA PHE 136 HA PHE 136 8.652 4.633 7.454 173 1HB PHE 136 2HB PHE 136 10.399 6.543 5.878 174 2HB PHE 136 1HB PHE 136 9.060 6.953 6.944 175 HD1 PHE 136 1HD PHE 136 9.263 6.510 9.421 176 HD2 PHE 136 2HD PHE 136 12.594 6.186 6.728 177 HE1 PHE 136 1HE PHE 136 10.828 6.635 11.341 178 HE2 PHE 136 2HE PHE 136 14.158 6.310 8.648 179 HZ PHE 136 HZ PHE 136 13.275 6.536 10.953 180 H THR 137 H THR 137 7.024 5.631 5.932 181 HA THR 137 HA THR 137 7.353 4.678 3.110 182 HB THR 137 HB THR 137 4.745 4.259 3.507 183 HG1 THR 137 1HG THR 137 4.342 3.683 5.611 184 1HG2 THR 137 1HG2 THR 137 5.505 2.185 3.100 185 2HG2 THR 137 2HG2 THR 137 5.985 2.042 4.791 186 3HG2 THR 137 3HG2 THR 137 7.124 2.670 3.602 187 H ASP 138 H ASP 138 5.021 5.606 2.054 188 HA ASP 138 HA ASP 138 5.422 8.333 1.560 189 1HB ASP 138 2HB ASP 138 2.923 8.195 0.933 190 2HB ASP 138 1HB ASP 138 4.012 7.044 0.154 191 H LEU 139 H LEU 139 3.254 6.853 3.999 192 HA LEU 139 HA LEU 139 2.076 9.218 5.005 193 1HB LEU 139 2HB LEU 139 1.455 7.836 6.829 194 2HB LEU 139 1HB LEU 139 1.670 6.706 5.494 195 HG LEU 139 HG LEU 139 4.213 6.840 6.523 196 1HD1 LEU 139 1HD1 LEU 139 4.005 6.649 8.958 197 2HD1 LEU 139 2HD1 LEU 139 2.262 6.900 8.848 198 3HD1 LEU 139 3HD1 LEU 139 3.370 8.206 8.426 199 1HD2 LEU 139 1HD2 LEU 139 2.177 4.918 7.641 200 2HD2 LEU 139 2HD2 LEU 139 3.842 4.601 7.156 201 3HD2 LEU 139 3HD2 LEU 139 2.603 4.874 5.930 202 H GLU 140 H GLU 140 5.336 8.057 5.301 203 HA GLU 140 HA GLU 140 5.916 10.001 7.496 204 1HB GLU 140 2HB GLU 140 7.281 7.570 6.330 205 2HB GLU 140 1HB GLU 140 8.144 8.679 7.394 206 1HG GLU 140 2HG GLU 140 5.465 7.700 8.276 207 2HG GLU 140 1HG GLU 140 6.825 6.584 8.374 208 H ALA 141 H ALA 141 6.210 9.540 4.101 209 HA ALA 141 HA ALA 141 8.641 10.997 3.595 210 1HB ALA 141 1HB ALA 141 7.989 10.741 1.357 211 2HB ALA 141 2HB ALA 141 6.276 10.922 1.737 212 3HB ALA 141 3HB ALA 141 7.114 9.424 2.139 213 H ASN 142 H ASN 142 5.271 11.976 4.050 214 HA ASN 142 HA ASN 142 5.726 14.740 3.202 215 1HB ASN 142 2HB ASN 142 3.392 14.985 3.933 216 2HB ASN 142 1HB ASN 142 3.574 13.500 2.998 217 1HD2 ASN 142 1HD2 ASN 142 1.439 13.763 4.869 218 2HD2 ASN 142 2HD2 ASN 142 1.716 12.702 6.166 219 H GLN 143 H GLN 143 6.481 12.992 6.008 220 HA GLN 143 HA GLN 143 6.437 15.495 7.667 221 1HB GLN 143 2HB GLN 143 6.047 14.055 9.555 222 2HB GLN 143 1HB GLN 143 4.949 13.516 8.284 223 1HG GLN 143 2HG GLN 143 6.529 11.745 7.650 224 2HG GLN 143 1HG GLN 143 7.651 12.285 8.899 225 1HE2 GLN 143 1HE2 GLN 143 4.326 10.991 8.469 226 2HE2 GLN 143 2HE2 GLN 143 4.240 10.281 10.008 227 H LEU 144 H LEU 144 8.326 12.733 6.561 228 HA LEU 144 HA LEU 144 10.634 13.378 8.273 229 1HB LEU 144 2HB LEU 144 10.091 11.425 6.017 230 2HB LEU 144 1HB LEU 144 11.623 11.494 6.886 231 HG LEU 144 HG LEU 144 8.893 10.811 7.996 232 1HD1 LEU 144 1HD1 LEU 144 11.415 9.270 8.470 233 2HD1 LEU 144 2HD1 LEU 144 10.654 9.155 6.883 234 3HD1 LEU 144 3HD1 LEU 144 9.757 8.686 8.327 235 1HD2 LEU 144 1HD2 LEU 144 9.627 12.028 9.803 236 2HD2 LEU 144 2HD2 LEU 144 11.322 11.909 9.326 237 3HD2 LEU 144 3HD2 LEU 144 10.533 10.550 10.126 238 H PHE 145 H PHE 145 9.447 14.259 5.134 239 HA PHE 145 HA PHE 145 11.879 14.800 3.749 240 1HB PHE 145 2HB PHE 145 9.462 14.743 2.926 241 2HB PHE 145 1HB PHE 145 9.299 16.372 3.582 242 HD1 PHE 145 1HD PHE 145 12.062 14.613 1.749 243 HD2 PHE 145 2HD PHE 145 9.347 17.940 1.854 244 HE1 PHE 145 1HE PHE 145 13.120 15.541 -0.293 245 HE2 PHE 145 2HE PHE 145 10.405 18.868 -0.188 246 HZ PHE 145 HZ PHE 145 12.292 17.668 -1.263 247 H ASP 146 H ASP 146 13.381 16.389 4.022 248 HA ASP 146 HA ASP 146 12.753 18.617 5.922 249 1HB ASP 146 2HB ASP 146 14.987 16.802 5.448 250 2HB ASP 146 1HB ASP 146 15.511 18.487 5.433 251 HA PRO 147 HA PRO 147 12.893 21.117 2.235 252 1HB PRO 147 2HB PRO 147 12.534 23.522 3.489 253 2HB PRO 147 1HB PRO 147 11.209 22.379 3.190 254 1HG PRO 147 2HG PRO 147 12.744 22.881 5.688 255 2HG PRO 147 1HG PRO 147 11.019 22.550 5.471 256 1HD PRO 147 2HD PRO 147 12.818 20.678 6.303 257 2HD PRO 147 1HD PRO 147 11.327 20.284 5.420 258 H MET 148 H MET 148 15.207 20.825 4.616 259 HA MET 148 HA MET 148 16.885 23.075 3.602 260 1HB MET 148 2HB MET 148 18.111 22.772 5.634 261 2HB MET 148 1HB MET 148 16.413 22.581 6.075 262 1HG MET 148 2HG MET 148 16.913 20.031 5.508 263 2HG MET 148 1HG MET 148 18.567 20.512 5.884 264 1HE MET 148 1HE MET 148 18.100 22.188 9.394 265 2HE MET 148 2HE MET 148 17.947 22.926 7.802 266 3HE MET 148 3HE MET 148 19.247 21.777 8.111 267 H THR 149 H THR 149 16.642 19.570 3.650 268 HA THR 149 HA THR 149 19.256 19.394 2.187 269 HB THR 149 HB THR 149 19.280 18.216 4.296 270 HG1 THR 149 1HG THR 149 19.339 16.000 3.481 271 1HG2 THR 149 1HG2 THR 149 17.250 17.704 5.143 272 2HG2 THR 149 2HG2 THR 149 17.348 16.238 4.167 273 3HG2 THR 149 3HG2 THR 149 16.507 17.658 3.544 274 H GLY 150 H GLY 150 15.915 19.252 1.776 275 1HA GLY 150 2HA GLY 150 14.595 18.565 -0.040 276 2HA GLY 150 1HA GLY 150 16.096 18.362 -0.945 277 H THR 151 H THR 151 15.665 16.666 2.069 278 HA THR 151 HA THR 151 14.953 14.157 0.612 279 HB THR 151 HB THR 151 17.053 13.876 2.653 280 HG1 THR 151 1HG THR 151 18.279 15.395 1.929 281 1HG2 THR 151 1HG2 THR 151 17.944 12.339 1.082 282 2HG2 THR 151 2HG2 THR 151 17.121 13.120 -0.268 283 3HG2 THR 151 3HG2 THR 151 16.194 12.192 0.911 284 H PHE 152 H PHE 152 14.695 12.339 2.397 285 HA PHE 152 HA PHE 152 12.928 13.473 4.495 286 1HB PHE 152 2HB PHE 152 13.437 10.613 3.621 287 2HB PHE 152 1HB PHE 152 12.087 11.188 4.600 288 HD1 PHE 152 1HD PHE 152 13.432 10.843 1.234 289 HD2 PHE 152 2HD PHE 152 10.394 12.745 3.602 290 HE1 PHE 152 1HE PHE 152 12.157 11.374 -0.827 291 HE2 PHE 152 2HE PHE 152 9.120 13.274 1.541 292 HZ PHE 152 HZ PHE 152 10.001 12.589 -0.673 293 H ARG 153 H ARG 153 13.653 13.655 6.558 294 HA ARG 153 HA ARG 153 16.193 12.300 7.315 295 1HB ARG 153 2HB ARG 153 14.637 14.718 8.120 296 2HB ARG 153 1HB ARG 153 15.650 13.965 9.352 297 1HG ARG 153 2HG ARG 153 17.436 13.961 7.380 298 2HG ARG 153 1HG ARG 153 16.449 15.301 6.797 299 1HD ARG 153 2HD ARG 153 17.649 16.607 8.225 300 2HD ARG 153 1HD ARG 153 16.738 15.824 9.530 301 HE ARG 153 HE ARG 153 18.548 14.129 9.662 302 1HH1 ARG 153 1HH2 ARG 153 19.648 17.039 9.955 303 2HH1 ARG 153 2HH2 ARG 153 21.125 16.886 9.063 304 1HH2 ARG 153 1HH1 ARG 153 20.221 13.891 7.567 305 2HH2 ARG 153 2HH1 ARG 153 21.450 15.102 7.713 306 H CYS 154 H CYS 154 16.277 10.821 8.990 307 HA CYS 154 HA CYS 154 14.181 9.136 9.693 308 1HB CYS 154 2HB CYS 154 16.706 9.049 10.129 309 2HB CYS 154 1HB CYS 154 16.384 10.034 11.554 310 H THR 155 H THR 155 13.313 8.974 12.108 311 HA THR 155 HA THR 155 12.341 11.701 12.897 312 HB THR 155 HB THR 155 10.691 9.525 13.832 313 HG1 THR 155 1HG THR 155 10.068 8.882 11.658 314 1HG2 THR 155 1HG2 THR 155 10.281 11.711 11.775 315 2HG2 THR 155 2HG2 THR 155 9.942 11.833 13.501 316 3HG2 THR 155 3HG2 THR 155 8.994 10.739 12.491 317 H PHE 156 H PHE 156 13.955 8.812 13.972 318 HA PHE 156 HA PHE 156 13.745 9.782 16.788 319 1HB PHE 156 2HB PHE 156 14.774 7.184 16.813 320 2HB PHE 156 1HB PHE 156 13.134 7.660 17.216 321 HD1 PHE 156 1HD PHE 156 15.297 6.772 14.294 322 HD2 PHE 156 2HD PHE 156 11.331 6.883 15.937 323 HE1 PHE 156 1HE PHE 156 14.445 5.540 12.327 324 HE2 PHE 156 2HE PHE 156 10.479 5.643 13.966 325 HZ PHE 156 HZ PHE 156 12.037 4.967 12.160 326 H CYS 157 H CYS 157 15.973 8.578 14.316 327 HA CYS 157 HA CYS 157 18.222 9.569 16.022 328 1HB CYS 157 2HB CYS 157 19.343 7.668 15.458 329 2HB CYS 157 1HB CYS 157 17.752 7.063 15.028 330 H HIS 158 H HIS 158 16.364 10.893 13.999 331 HA HIS 158 HA HIS 158 16.484 12.282 12.074 332 1HB HIS 158 2HB HIS 158 18.559 13.048 14.113 333 2HB HIS 158 1HB HIS 158 18.244 14.067 12.705 334 HD1 HIS 158 1HD HIS 158 16.099 15.436 12.692 335 HD2 HIS 158 2HD HIS 158 16.247 12.731 15.861 336 HE1 HIS 158 1HE HIS 158 14.126 15.973 14.187 337 H THR 159 H THR 159 18.157 9.800 11.605 338 HA THR 159 HA THR 159 20.543 10.837 10.207 339 HB THR 159 HB THR 159 19.246 8.153 10.667 340 HG1 THR 159 1HG THR 159 20.815 9.515 12.078 341 1HG2 THR 159 1HG2 THR 159 20.230 8.324 8.331 342 2HG2 THR 159 2HG2 THR 159 20.945 7.080 9.353 343 3HG2 THR 159 3HG2 THR 159 21.792 8.606 9.098 344 H GLU 160 H GLU 160 20.759 10.751 7.882 345 HA GLU 160 HA GLU 160 18.400 11.399 6.375 346 1HB GLU 160 2HB GLU 160 21.202 11.446 6.108 347 2HB GLU 160 1HB GLU 160 20.632 10.417 4.794 348 1HG GLU 160 2HG GLU 160 18.929 12.749 5.094 349 2HG GLU 160 1HG GLU 160 20.611 13.223 4.848 350 H VAL 161 H VAL 161 16.905 10.005 5.519 351 HA VAL 161 HA VAL 161 17.507 7.093 5.507 352 HB VAL 161 HB VAL 161 15.081 6.897 5.325 353 1HG1 VAL 161 1HG1 VAL 161 14.550 7.713 7.438 354 2HG1 VAL 161 2HG1 VAL 161 15.420 9.226 7.184 355 3HG1 VAL 161 3HG1 VAL 161 16.312 7.739 7.505 356 1HG2 VAL 161 1HG2 VAL 161 15.376 9.527 4.162 357 2HG2 VAL 161 2HG2 VAL 161 14.199 9.577 5.474 358 3HG2 VAL 161 3HG2 VAL 161 13.975 8.456 4.130 359 H GLU 162 H GLU 162 16.863 5.825 3.573 360 HA GLU 162 HA GLU 162 16.959 7.403 1.024 361 1HB GLU 162 2HB GLU 162 18.443 4.859 1.770 362 2HB GLU 162 1HB GLU 162 18.487 5.625 0.182 363 1HG GLU 162 2HG GLU 162 19.341 7.718 1.303 364 2HG GLU 162 1HG GLU 162 19.477 6.790 2.797 365 H GLU 163 H GLU 163 15.889 6.316 -0.777 366 HA GLU 163 HA GLU 163 13.426 5.087 -0.250 367 1HB GLU 163 2HB GLU 163 15.329 5.225 -2.559 368 2HB GLU 163 1HB GLU 163 13.923 4.168 -2.696 369 1HG GLU 163 2HG GLU 163 12.726 5.992 -3.266 370 2HG GLU 163 1HG GLU 163 12.919 6.542 -1.601 371 H ASP 164 H ASP 164 12.784 2.991 0.176 372 HA ASP 164 HA ASP 164 14.940 0.931 0.434 373 1HB ASP 164 2HB ASP 164 13.257 1.831 2.290 374 2HB ASP 164 1HB ASP 164 12.170 0.658 1.548 375 H GLU 165 H GLU 165 14.908 0.225 -1.799 376 HA GLU 165 HA GLU 165 12.444 -0.522 -3.144 377 1HB GLU 165 2HB GLU 165 14.616 0.208 -4.192 378 2HB GLU 165 1HB GLU 165 15.311 -1.339 -3.702 379 1HG GLU 165 2HG GLU 165 14.288 -2.449 -5.385 380 2HG GLU 165 1HG GLU 165 12.748 -1.644 -5.080 381 H SER 166 H SER 166 14.009 -1.943 -0.572 382 HA SER 166 HA SER 166 13.108 -4.688 -1.389 383 1HB SER 166 2HB SER 166 15.601 -3.615 -0.369 384 2HB SER 166 1HB SER 166 14.972 -4.844 0.724 385 HG SER 166 HG SER 166 15.461 -6.290 -0.712 386 H ALA 167 H ALA 167 11.175 -3.078 -0.294 387 HA ALA 167 HA ALA 167 10.975 -4.074 2.530 388 1HB ALA 167 1HB ALA 167 9.461 -1.800 2.474 389 2HB ALA 167 2HB ALA 167 10.715 -1.391 1.302 390 3HB ALA 167 3HB ALA 167 11.157 -1.833 2.952 391 H MET 168 H MET 168 9.822 -5.896 1.299 392 HA MET 168 HA MET 168 6.965 -5.124 0.807 393 1HB MET 168 2HB MET 168 8.925 -6.798 -0.732 394 2HB MET 168 1HB MET 168 7.211 -7.209 -0.811 395 1HG MET 168 2HG MET 168 7.161 -4.477 -1.144 396 2HG MET 168 1HG MET 168 8.644 -4.927 -1.989 397 1HE MET 168 1HE MET 168 5.236 -4.696 -1.564 398 2HE MET 168 2HE MET 168 4.491 -6.181 -2.152 399 3HE MET 168 3HE MET 168 4.604 -4.778 -3.213 400 HA PRO 169 HA PRO 169 6.312 -8.188 3.943 401 1HB PRO 169 2HB PRO 169 3.588 -8.316 3.728 402 2HB PRO 169 1HB PRO 169 4.430 -6.974 4.527 403 1HG PRO 169 2HG PRO 169 3.248 -7.112 1.802 404 2HG PRO 169 1HG PRO 169 3.277 -5.768 2.955 405 1HD PRO 169 2HD PRO 169 4.945 -5.957 0.796 406 2HD PRO 169 1HD PRO 169 5.344 -5.066 2.281 407 H LYS 170 H LYS 170 7.372 -9.491 1.910 408 HA LYS 170 HA LYS 170 5.370 -11.348 0.718 409 1HB LYS 170 2HB LYS 170 7.297 -10.051 -0.481 410 2HB LYS 170 1HB LYS 170 8.342 -11.294 0.209 411 1HG LYS 170 2HG LYS 170 7.362 -13.002 -1.036 412 2HG LYS 170 1HG LYS 170 5.849 -12.119 -1.244 413 1HD LYS 170 2HD LYS 170 6.568 -11.243 -3.187 414 2HD LYS 170 1HD LYS 170 8.023 -10.618 -2.408 415 1HE LYS 170 2HE LYS 170 9.069 -12.111 -3.816 416 2HE LYS 170 1HE LYS 170 8.635 -13.279 -2.551 417 1HZ LYS 170 1HZ LYS 170 6.354 -13.227 -3.801 418 2HZ LYS 170 2HZ LYS 170 7.613 -14.229 -4.348 419 3HZ LYS 170 3HZ LYS 170 7.311 -12.743 -5.116 420 H LYS 171 H LYS 171 5.658 -13.656 0.952 421 HA LYS 171 HA LYS 171 7.723 -14.812 2.626 422 1HB LYS 171 2HB LYS 171 6.143 -13.435 4.155 423 2HB LYS 171 1HB LYS 171 4.963 -14.709 3.851 424 1HG LYS 171 2HG LYS 171 7.363 -16.047 4.466 425 2HG LYS 171 1HG LYS 171 7.242 -14.733 5.637 426 1HD LYS 171 2HD LYS 171 5.551 -15.750 6.727 427 2HD LYS 171 1HD LYS 171 4.667 -16.024 5.224 428 1HE LYS 171 2HE LYS 171 6.773 -17.825 5.033 429 2HE LYS 171 1HE LYS 171 6.331 -17.891 6.751 430 1HZ LYS 171 1HZ LYS 171 3.934 -17.845 5.824 431 2HZ LYS 171 2HZ LYS 171 4.794 -19.310 5.807 432 3HZ LYS 171 3HZ LYS 171 4.646 -18.390 4.385 433 H ASP 172 H ASP 172 7.695 -16.274 0.775 434 HA ASP 172 HA ASP 172 7.043 -18.266 -0.318 435 1HB ASP 172 2HB ASP 172 5.903 -18.314 2.431 436 2HB ASP 172 1HB ASP 172 5.256 -19.500 1.297 437 H ALA 173 H ALA 173 5.828 -16.222 -1.515 438 HA ALA 173 HA ALA 173 3.896 -15.538 -2.697 439 1HB ALA 173 1HB ALA 173 3.127 -17.352 -3.844 440 2HB ALA 173 2HB ALA 173 2.636 -18.184 -2.368 441 3HB ALA 173 3HB ALA 173 4.315 -18.252 -2.903 442 H ARG 174 H ARG 174 2.869 -14.120 -1.217 443 HA ARG 174 HA ARG 174 0.391 -15.109 -0.005 444 1HB ARG 174 2HB ARG 174 2.759 -15.287 1.454 445 2HB ARG 174 1HB ARG 174 2.015 -13.801 2.047 446 1HG ARG 174 2HG ARG 174 0.168 -14.899 2.899 447 2HG ARG 174 1HG ARG 174 0.268 -16.204 1.717 448 1HD ARG 174 2HD ARG 174 2.518 -16.795 2.942 449 2HD ARG 174 1HD ARG 174 1.815 -15.857 4.275 450 HE ARG 174 HE ARG 174 0.085 -17.906 3.011 451 1HH1 ARG 174 1HH1 ARG 174 0.139 -16.360 5.798 452 2HH1 ARG 174 2HH1 ARG 174 0.360 -17.721 6.846 453 1HH2 ARG 174 1HH2 ARG 174 1.208 -19.896 4.283 454 2HH2 ARG 174 2HH2 ARG 174 0.962 -19.723 5.989 Start of MODEL 18 1 1H ARG 113 1HT ARG 113 6.297 -13.257 -19.449 2 2H ARG 113 2HT ARG 113 6.541 -14.101 -17.994 3 3H ARG 113 3HT ARG 113 6.455 -14.945 -19.466 4 HA ARG 113 HA ARG 113 8.765 -14.268 -18.288 5 1HB ARG 113 2HB ARG 113 7.706 -15.071 -20.906 6 2HB ARG 113 1HB ARG 113 9.286 -14.296 -21.017 7 1HG ARG 113 2HG ARG 113 8.583 -16.643 -19.228 8 2HG ARG 113 1HG ARG 113 9.549 -16.720 -20.704 9 1HD ARG 113 2HD ARG 113 10.867 -14.753 -19.323 10 2HD ARG 113 1HD ARG 113 10.332 -15.812 -18.003 11 HE ARG 113 HE ARG 113 11.618 -17.036 -20.398 12 1HH1 ARG 113 1HH2 ARG 113 12.438 -15.626 -17.456 13 2HH1 ARG 113 2HH2 ARG 113 13.327 -16.986 -16.855 14 1HH2 ARG 113 1HH1 ARG 113 12.386 -19.084 -19.450 15 2HH2 ARG 113 2HH1 ARG 113 13.298 -18.944 -17.984 16 H ILE 114 H ILE 114 7.482 -12.451 -21.107 17 HA ILE 114 HA ILE 114 9.434 -10.295 -20.702 18 HB ILE 114 HB ILE 114 7.122 -10.827 -22.584 19 1HG1 ILE 114 2HG1 ILE 114 9.635 -10.477 -23.871 20 2HG1 ILE 114 1HG1 ILE 114 9.906 -11.543 -22.492 21 1HG2 ILE 114 1HG2 ILE 114 7.216 -8.439 -22.398 22 2HG2 ILE 114 2HG2 ILE 114 8.093 -8.854 -23.871 23 3HG2 ILE 114 3HG2 ILE 114 8.979 -8.443 -22.402 24 1HD1 ILE 114 1HD1 ILE 114 7.477 -12.392 -23.649 25 2HD1 ILE 114 2HD1 ILE 114 9.030 -13.229 -23.699 26 3HD1 ILE 114 3HD1 ILE 114 8.582 -12.121 -24.997 27 H GLU 115 H GLU 115 5.862 -10.565 -20.586 28 HA GLU 115 HA GLU 115 5.238 -7.942 -19.787 29 1HB GLU 115 2HB GLU 115 3.711 -9.855 -20.428 30 2HB GLU 115 1HB GLU 115 3.951 -10.507 -18.808 31 1HG GLU 115 2HG GLU 115 3.313 -7.764 -18.488 32 2HG GLU 115 1HG GLU 115 2.160 -8.418 -19.652 33 H THR 116 H THR 116 5.380 -10.707 -17.506 34 HA THR 116 HA THR 116 5.919 -10.732 -15.201 35 HB THR 116 HB THR 116 7.894 -8.585 -15.460 36 HG1 THR 116 1HG THR 116 7.792 -10.669 -17.376 37 1HG2 THR 116 1HG2 THR 116 7.668 -10.839 -14.011 38 2HG2 THR 116 2HG2 THR 116 9.229 -10.111 -14.391 39 3HG2 THR 116 3HG2 THR 116 8.630 -11.464 -15.350 40 H ASP 117 H ASP 117 6.802 -8.651 -13.520 41 HA ASP 117 HA ASP 117 4.321 -7.230 -13.022 42 1HB ASP 117 2HB ASP 117 6.049 -8.083 -11.359 43 2HB ASP 117 1HB ASP 117 7.078 -6.740 -11.863 44 H GLU 118 H GLU 118 3.733 -5.284 -13.891 45 HA GLU 118 HA GLU 118 5.470 -3.844 -15.721 46 1HB GLU 118 2HB GLU 118 2.777 -3.278 -14.443 47 2HB GLU 118 1HB GLU 118 3.485 -2.279 -15.712 48 1HG GLU 118 2HG GLU 118 2.949 -5.252 -15.974 49 2HG GLU 118 1HG GLU 118 1.890 -3.987 -16.600 50 H ARG 119 H ARG 119 3.719 -2.431 -12.958 51 HA ARG 119 HA ARG 119 6.133 -1.449 -11.644 52 1HB ARG 119 2HB ARG 119 4.841 0.024 -13.815 53 2HB ARG 119 1HB ARG 119 4.913 0.971 -12.330 54 1HG ARG 119 2HG ARG 119 7.240 -0.362 -13.743 55 2HG ARG 119 1HG ARG 119 6.947 1.370 -13.595 56 1HD ARG 119 2HD ARG 119 7.967 1.419 -11.575 57 2HD ARG 119 1HD ARG 119 6.930 0.109 -10.976 58 HE ARG 119 HE ARG 119 8.539 -1.389 -12.417 59 1HH1 ARG 119 1HH1 ARG 119 10.103 1.392 -12.565 60 2HH1 ARG 119 2HH1 ARG 119 11.428 0.998 -11.520 61 1HH2 ARG 119 1HH2 ARG 119 9.933 -1.870 -10.268 62 2HH2 ARG 119 2HH2 ARG 119 11.332 -0.850 -10.221 63 H ASP 120 H ASP 120 5.458 0.139 -9.844 64 HA ASP 120 HA ASP 120 2.601 -0.269 -9.034 65 1HB ASP 120 2HB ASP 120 4.396 -1.827 -8.006 66 2HB ASP 120 1HB ASP 120 4.953 -0.395 -7.139 67 H SER 121 H SER 121 5.624 1.518 -8.323 68 HA SER 121 HA SER 121 4.208 4.075 -8.358 69 1HB SER 121 2HB SER 121 4.253 4.514 -6.033 70 2HB SER 121 1HB SER 121 3.737 2.831 -6.122 71 HG SER 121 HG SER 121 6.367 3.811 -5.670 72 H THR 122 H THR 122 5.696 5.780 -8.583 73 HA THR 122 HA THR 122 8.599 5.034 -8.413 74 HB THR 122 HB THR 122 7.596 5.188 -10.717 75 HG1 THR 122 1HG THR 122 9.216 6.681 -11.457 76 1HG2 THR 122 1HG2 THR 122 7.314 8.124 -10.031 77 2HG2 THR 122 2HG2 THR 122 5.964 6.991 -10.112 78 3HG2 THR 122 3HG2 THR 122 6.901 7.352 -11.562 79 H ASN 123 H ASN 123 6.116 7.232 -7.491 80 HA ASN 123 HA ASN 123 8.076 9.366 -6.781 81 1HB ASN 123 2HB ASN 123 5.404 9.253 -7.748 82 2HB ASN 123 1HB ASN 123 5.331 9.941 -6.125 83 1HD2 ASN 123 1HD2 ASN 123 6.154 10.617 -9.411 84 2HD2 ASN 123 2HD2 ASN 123 6.829 12.153 -9.155 85 H ARG 124 H ARG 124 5.087 8.381 -5.124 86 HA ARG 124 HA ARG 124 6.327 8.701 -2.504 87 1HB ARG 124 2HB ARG 124 3.686 8.200 -3.723 88 2HB ARG 124 1HB ARG 124 3.901 7.451 -2.141 89 1HG ARG 124 2HG ARG 124 3.357 9.482 -1.298 90 2HG ARG 124 1HG ARG 124 4.990 9.958 -1.762 91 1HD ARG 124 2HD ARG 124 3.811 11.585 -2.916 92 2HD ARG 124 1HD ARG 124 3.745 10.302 -4.142 93 HE ARG 124 HE ARG 124 1.564 9.614 -2.861 94 1HH1 ARG 124 1HH1 ARG 124 1.522 11.928 -4.926 95 2HH1 ARG 124 2HH1 ARG 124 0.537 13.075 -4.081 96 1HH2 ARG 124 1HH2 ARG 124 0.834 11.472 -1.020 97 2HH2 ARG 124 2HH2 ARG 124 0.150 12.818 -1.869 98 H ALA 125 H ALA 125 7.313 7.101 -1.317 99 HA ALA 125 HA ALA 125 6.601 4.264 -1.728 100 1HB ALA 125 1HB ALA 125 8.725 5.545 -3.123 101 2HB ALA 125 2HB ALA 125 8.334 3.826 -3.105 102 3HB ALA 125 3HB ALA 125 9.461 4.486 -1.919 103 H SER 126 H SER 126 9.063 3.325 -0.498 104 HA SER 126 HA SER 126 8.640 4.381 2.276 105 1HB SER 126 2HB SER 126 9.643 1.683 1.319 106 2HB SER 126 1HB SER 126 9.238 2.116 2.977 107 HG SER 126 HG SER 126 7.430 1.175 2.209 108 H PHE 127 H PHE 127 10.500 4.775 3.563 109 HA PHE 127 HA PHE 127 13.110 4.777 2.079 110 1HB PHE 127 2HB PHE 127 12.164 6.723 4.202 111 2HB PHE 127 1HB PHE 127 13.558 6.899 3.136 112 HD1 PHE 127 1HD PHE 127 9.845 6.760 3.228 113 HD2 PHE 127 2HD PHE 127 13.328 7.729 0.911 114 HE1 PHE 127 1HE PHE 127 8.407 7.835 1.517 115 HE2 PHE 127 2HE PHE 127 11.891 8.804 -0.801 116 HZ PHE 127 HZ PHE 127 9.430 8.856 -0.499 117 H LYS 128 H LYS 128 14.917 4.083 3.272 118 HA LYS 128 HA LYS 128 14.346 3.019 6.003 119 1HB LYS 128 2HB LYS 128 14.624 1.217 4.456 120 2HB LYS 128 1HB LYS 128 16.005 1.997 3.693 121 1HG LYS 128 2HG LYS 128 17.237 0.651 5.049 122 2HG LYS 128 1HG LYS 128 16.852 1.831 6.298 123 1HD LYS 128 2HD LYS 128 15.650 0.304 7.426 124 2HD LYS 128 1HD LYS 128 14.650 -0.001 6.004 125 1HE LYS 128 2HE LYS 128 16.004 -1.769 5.269 126 2HE LYS 128 1HE LYS 128 17.416 -1.190 6.173 127 1HZ LYS 128 1HZ LYS 128 15.050 -2.624 7.146 128 2HZ LYS 128 2HZ LYS 128 15.775 -1.486 8.179 129 3HZ LYS 128 3HZ LYS 128 16.676 -2.802 7.593 130 H CYS 129 H CYS 129 15.904 3.422 7.594 131 HA CYS 129 HA CYS 129 17.842 5.571 6.989 132 1HB CYS 129 2HB CYS 129 16.244 5.705 8.874 133 2HB CYS 129 1HB CYS 129 16.938 4.242 9.557 134 HA PRO 130 HA PRO 130 21.065 2.509 6.882 135 1HB PRO 130 2HB PRO 130 23.146 4.248 6.550 136 2HB PRO 130 1HB PRO 130 22.037 3.801 5.238 137 1HG PRO 130 2HG PRO 130 22.131 6.272 6.875 138 2HG PRO 130 1HG PRO 130 21.693 6.056 5.175 139 1HD PRO 130 2HD PRO 130 19.892 6.400 7.239 140 2HD PRO 130 1HD PRO 130 19.510 5.666 5.667 141 H VAL 131 H VAL 131 20.736 5.036 9.247 142 HA VAL 131 HA VAL 131 23.087 4.140 10.792 143 HB VAL 131 HB VAL 131 21.036 6.333 10.993 144 1HG1 VAL 131 1HG1 VAL 131 22.814 5.235 13.150 145 2HG1 VAL 131 2HG1 VAL 131 21.170 5.860 13.275 146 3HG1 VAL 131 3HG1 VAL 131 22.524 6.972 13.078 147 1HG2 VAL 131 1HG2 VAL 131 24.068 6.386 11.053 148 2HG2 VAL 131 2HG2 VAL 131 22.983 7.753 10.801 149 3HG2 VAL 131 3HG2 VAL 131 23.126 6.502 9.567 150 H CYS 132 H CYS 132 19.766 4.811 11.922 151 HA CYS 132 HA CYS 132 20.034 2.627 13.874 152 1HB CYS 132 2HB CYS 132 18.066 3.581 14.836 153 2HB CYS 132 1HB CYS 132 19.023 4.940 14.252 154 H SER 133 H SER 133 19.596 2.357 10.771 155 HA SER 133 HA SER 133 18.473 0.887 9.318 156 1HB SER 133 2HB SER 133 18.014 -1.340 10.633 157 2HB SER 133 1HB SER 133 19.667 -0.775 10.424 158 HG SER 133 HG SER 133 19.378 -1.248 12.575 159 H SER 134 H SER 134 16.685 2.821 10.697 160 HA SER 134 HA SER 134 14.235 1.303 11.287 161 1HB SER 134 2HB SER 134 15.168 4.149 11.268 162 2HB SER 134 1HB SER 134 13.435 3.839 11.236 163 HG SER 134 HG SER 134 13.608 2.749 13.153 164 H THR 135 H THR 135 12.244 2.683 10.008 165 HA THR 135 HA THR 135 12.903 3.012 7.154 166 HB THR 135 HB THR 135 10.919 0.879 7.935 167 HG1 THR 135 1HG THR 135 12.537 -0.259 8.594 168 1HG2 THR 135 1HG2 THR 135 10.802 1.589 5.638 169 2HG2 THR 135 2HG2 THR 135 11.628 0.032 5.657 170 3HG2 THR 135 3HG2 THR 135 12.556 1.520 5.469 171 H PHE 136 H PHE 136 10.954 3.687 5.898 172 HA PHE 136 HA PHE 136 8.613 4.544 7.512 173 1HB PHE 136 2HB PHE 136 10.220 6.488 5.838 174 2HB PHE 136 1HB PHE 136 8.939 6.861 6.989 175 HD1 PHE 136 1HD PHE 136 9.316 6.375 9.450 176 HD2 PHE 136 2HD PHE 136 12.476 6.272 6.544 177 HE1 PHE 136 1HE PHE 136 10.992 6.565 11.267 178 HE2 PHE 136 2HE PHE 136 14.154 6.459 8.361 179 HZ PHE 136 HZ PHE 136 13.412 6.607 10.723 180 H THR 137 H THR 137 6.912 5.491 6.049 181 HA THR 137 HA THR 137 7.078 4.346 3.278 182 HB THR 137 HB THR 137 4.403 4.534 3.934 183 HG1 THR 137 1HG THR 137 5.547 3.423 6.219 184 1HG2 THR 137 1HG2 THR 137 6.145 2.580 3.199 185 2HG2 THR 137 2HG2 THR 137 4.469 2.273 3.650 186 3HG2 THR 137 3HG2 THR 137 5.754 2.062 4.838 187 H ASP 138 H ASP 138 5.107 5.535 1.977 188 HA ASP 138 HA ASP 138 5.889 8.207 1.515 189 1HB ASP 138 2HB ASP 138 3.511 8.303 0.491 190 2HB ASP 138 1HB ASP 138 4.614 7.072 -0.124 191 H LEU 139 H LEU 139 3.169 7.003 3.526 192 HA LEU 139 HA LEU 139 2.110 9.488 4.343 193 1HB LEU 139 2HB LEU 139 1.074 8.211 6.055 194 2HB LEU 139 1HB LEU 139 1.368 7.039 4.771 195 HG LEU 139 HG LEU 139 3.729 6.967 6.210 196 1HD1 LEU 139 1HD1 LEU 139 2.915 8.266 8.050 197 2HD1 LEU 139 2HD1 LEU 139 2.853 6.584 8.579 198 3HD1 LEU 139 3HD1 LEU 139 1.377 7.403 8.065 199 1HD2 LEU 139 1HD2 LEU 139 2.100 4.963 7.301 200 2HD2 LEU 139 2HD2 LEU 139 3.094 4.828 5.851 201 3HD2 LEU 139 3HD2 LEU 139 1.399 5.294 5.718 202 H GLU 140 H GLU 140 5.137 7.996 5.135 203 HA GLU 140 HA GLU 140 5.586 9.807 7.456 204 1HB GLU 140 2HB GLU 140 7.075 7.463 6.230 205 2HB GLU 140 1HB GLU 140 7.690 8.383 7.603 206 1HG GLU 140 2HG GLU 140 4.948 7.689 8.106 207 2HG GLU 140 1HG GLU 140 5.835 6.232 7.652 208 H ALA 141 H ALA 141 6.330 9.454 4.088 209 HA ALA 141 HA ALA 141 8.808 10.834 3.885 210 1HB ALA 141 1HB ALA 141 8.370 10.520 1.671 211 2HB ALA 141 2HB ALA 141 6.817 11.350 1.776 212 3HB ALA 141 3HB ALA 141 6.941 9.650 2.226 213 H ASN 142 H ASN 142 5.495 12.027 4.243 214 HA ASN 142 HA ASN 142 6.110 14.805 3.659 215 1HB ASN 142 2HB ASN 142 3.848 13.559 5.257 216 2HB ASN 142 1HB ASN 142 3.831 15.140 4.473 217 1HD2 ASN 142 1HD2 ASN 142 1.811 13.593 3.599 218 2HD2 ASN 142 2HD2 ASN 142 2.138 12.894 2.088 219 H GLN 143 H GLN 143 5.781 12.897 6.660 220 HA GLN 143 HA GLN 143 6.388 15.225 8.353 221 1HB GLN 143 2HB GLN 143 5.991 13.653 10.137 222 2HB GLN 143 1HB GLN 143 4.818 13.289 8.871 223 1HG GLN 143 2HG GLN 143 6.292 11.495 8.023 224 2HG GLN 143 1HG GLN 143 7.455 11.853 9.301 225 1HE2 GLN 143 1HE2 GLN 143 3.867 11.382 9.199 226 2HE2 GLN 143 2HE2 GLN 143 3.832 10.293 10.502 227 H LEU 144 H LEU 144 8.236 13.071 6.517 228 HA LEU 144 HA LEU 144 10.591 13.328 8.357 229 1HB LEU 144 2HB LEU 144 9.865 11.385 6.142 230 2HB LEU 144 1HB LEU 144 11.426 11.386 6.965 231 HG LEU 144 HG LEU 144 8.705 10.926 8.216 232 1HD1 LEU 144 1HD1 LEU 144 9.981 9.064 6.956 233 2HD1 LEU 144 2HD1 LEU 144 9.460 8.715 8.604 234 3HD1 LEU 144 3HD1 LEU 144 11.140 9.142 8.283 235 1HD2 LEU 144 1HD2 LEU 144 11.380 11.609 9.380 236 2HD2 LEU 144 2HD2 LEU 144 10.363 10.454 10.240 237 3HD2 LEU 144 3HD2 LEU 144 9.770 12.085 9.923 238 H PHE 145 H PHE 145 9.299 14.162 5.231 239 HA PHE 145 HA PHE 145 11.786 14.700 3.869 240 1HB PHE 145 2HB PHE 145 9.687 14.345 2.702 241 2HB PHE 145 1HB PHE 145 8.942 15.704 3.543 242 HD1 PHE 145 1HD PHE 145 9.731 18.034 3.099 243 HD2 PHE 145 2HD PHE 145 11.113 14.677 0.802 244 HE1 PHE 145 1HE PHE 145 10.560 19.576 1.344 245 HE2 PHE 145 2HE PHE 145 11.942 16.219 -0.953 246 HZ PHE 145 HZ PHE 145 11.665 18.670 -0.683 247 H ASP 146 H ASP 146 13.026 16.567 3.852 248 HA ASP 146 HA ASP 146 12.009 18.939 5.375 249 1HB ASP 146 2HB ASP 146 14.547 17.339 5.646 250 2HB ASP 146 1HB ASP 146 14.522 19.040 6.113 251 HA PRO 147 HA PRO 147 13.388 20.975 1.698 252 1HB PRO 147 2HB PRO 147 13.194 23.544 2.620 253 2HB PRO 147 1HB PRO 147 11.781 22.570 2.164 254 1HG PRO 147 2HG PRO 147 12.870 23.175 4.864 255 2HG PRO 147 1HG PRO 147 11.188 23.043 4.328 256 1HD PRO 147 2HD PRO 147 12.510 21.075 5.694 257 2HD PRO 147 1HD PRO 147 11.148 20.774 4.593 258 H MET 148 H MET 148 14.759 21.842 4.871 259 HA MET 148 HA MET 148 17.013 23.323 4.104 260 1HB MET 148 2HB MET 148 18.003 22.255 6.199 261 2HB MET 148 1HB MET 148 16.416 22.995 6.408 262 1HG MET 148 2HG MET 148 15.379 20.989 6.750 263 2HG MET 148 1HG MET 148 16.391 20.154 5.572 264 1HE MET 148 1HE MET 148 16.512 18.666 9.352 265 2HE MET 148 2HE MET 148 16.213 18.120 7.704 266 3HE MET 148 3HE MET 148 15.238 19.420 8.385 267 H THR 149 H THR 149 16.389 19.900 3.685 268 HA THR 149 HA THR 149 19.123 19.606 2.481 269 HB THR 149 HB THR 149 18.880 18.437 4.638 270 HG1 THR 149 1HG THR 149 19.161 16.248 3.743 271 1HG2 THR 149 1HG2 THR 149 16.255 17.954 3.640 272 2HG2 THR 149 2HG2 THR 149 16.909 17.539 5.225 273 3HG2 THR 149 3HG2 THR 149 17.026 16.389 3.893 274 H GLY 150 H GLY 150 15.767 19.499 1.975 275 1HA GLY 150 2HA GLY 150 14.485 18.840 0.124 276 2HA GLY 150 1HA GLY 150 16.001 18.770 -0.776 277 H THR 151 H THR 151 15.313 16.874 2.120 278 HA THR 151 HA THR 151 14.863 14.430 0.495 279 HB THR 151 HB THR 151 16.871 13.827 2.437 280 HG1 THR 151 1HG THR 151 18.343 15.332 2.147 281 1HG2 THR 151 1HG2 THR 151 16.680 12.538 0.452 282 2HG2 THR 151 2HG2 THR 151 18.204 13.410 0.288 283 3HG2 THR 151 3HG2 THR 151 16.772 13.968 -0.577 284 H PHE 152 H PHE 152 15.078 12.533 2.459 285 HA PHE 152 HA PHE 152 13.034 13.431 4.449 286 1HB PHE 152 2HB PHE 152 13.842 10.694 3.414 287 2HB PHE 152 1HB PHE 152 12.521 11.003 4.540 288 HD1 PHE 152 1HD PHE 152 13.712 11.465 1.072 289 HD2 PHE 152 2HD PHE 152 10.437 11.994 3.801 290 HE1 PHE 152 1HE PHE 152 12.199 11.937 -0.836 291 HE2 PHE 152 2HE PHE 152 8.925 12.467 1.893 292 HZ PHE 152 HZ PHE 152 9.806 12.439 -0.424 293 H ARG 153 H ARG 153 13.727 13.637 6.542 294 HA ARG 153 HA ARG 153 16.346 12.418 7.290 295 1HB ARG 153 2HB ARG 153 14.696 14.769 8.144 296 2HB ARG 153 1HB ARG 153 15.831 14.072 9.302 297 1HG ARG 153 2HG ARG 153 17.332 14.188 6.983 298 2HG ARG 153 1HG ARG 153 16.366 15.661 6.891 299 1HD ARG 153 2HD ARG 153 17.122 16.348 9.115 300 2HD ARG 153 1HD ARG 153 18.016 14.826 9.305 301 HE ARG 153 HE ARG 153 18.666 16.915 7.264 302 1HH1 ARG 153 1HH1 ARG 153 19.963 15.452 9.901 303 2HH1 ARG 153 2HH1 ARG 153 21.382 14.833 9.125 304 1HH2 ARG 153 1HH2 ARG 153 20.264 15.553 5.921 305 2HH2 ARG 153 2HH2 ARG 153 21.552 14.890 6.870 306 H CYS 154 H CYS 154 16.470 10.929 8.939 307 HA CYS 154 HA CYS 154 14.390 9.235 9.682 308 1HB CYS 154 2HB CYS 154 16.921 9.129 10.058 309 2HB CYS 154 1HB CYS 154 16.647 10.121 11.489 310 H THR 155 H THR 155 13.556 9.069 12.098 311 HA THR 155 HA THR 155 12.628 11.796 12.943 312 HB THR 155 HB THR 155 10.927 9.647 13.832 313 HG1 THR 155 1HG THR 155 10.579 8.565 12.035 314 1HG2 THR 155 1HG2 THR 155 10.196 11.952 13.524 315 2HG2 THR 155 2HG2 THR 155 9.268 10.900 12.456 316 3HG2 THR 155 3HG2 THR 155 10.586 11.874 11.807 317 H PHE 156 H PHE 156 14.195 8.863 13.927 318 HA PHE 156 HA PHE 156 13.980 9.701 16.780 319 1HB PHE 156 2HB PHE 156 15.065 7.112 16.617 320 2HB PHE 156 1HB PHE 156 13.450 7.549 17.138 321 HD1 PHE 156 1HD PHE 156 15.463 6.786 14.084 322 HD2 PHE 156 2HD PHE 156 11.565 6.920 15.880 323 HE1 PHE 156 1HE PHE 156 14.506 5.672 12.092 324 HE2 PHE 156 2HE PHE 156 10.607 5.800 13.886 325 HZ PHE 156 HZ PHE 156 12.080 5.172 11.992 326 H CYS 157 H CYS 157 16.235 8.646 14.265 327 HA CYS 157 HA CYS 157 18.461 9.605 16.018 328 1HB CYS 157 2HB CYS 157 19.621 7.734 15.415 329 2HB CYS 157 1HB CYS 157 18.030 7.111 15.009 330 H HIS 158 H HIS 158 16.593 10.807 13.794 331 HA HIS 158 HA HIS 158 16.780 12.296 11.967 332 1HB HIS 158 2HB HIS 158 18.943 13.022 13.948 333 2HB HIS 158 1HB HIS 158 18.453 14.085 12.626 334 HD1 HIS 158 1HD HIS 158 16.376 15.466 12.976 335 HD2 HIS 158 2HD HIS 158 16.710 12.404 15.787 336 HE1 HIS 158 1HE HIS 158 14.507 15.820 14.649 337 H THR 159 H THR 159 18.422 9.781 11.507 338 HA THR 159 HA THR 159 20.810 10.832 10.106 339 HB THR 159 HB THR 159 19.587 8.117 10.612 340 HG1 THR 159 1HG THR 159 21.903 9.507 11.415 341 1HG2 THR 159 1HG2 THR 159 20.677 8.379 8.283 342 2HG2 THR 159 2HG2 THR 159 21.250 7.065 9.302 343 3HG2 THR 159 3HG2 THR 159 22.195 8.546 9.163 344 H GLU 160 H GLU 160 20.944 10.955 7.832 345 HA GLU 160 HA GLU 160 18.627 11.429 6.286 346 1HB GLU 160 2HB GLU 160 21.011 12.060 5.797 347 2HB GLU 160 1HB GLU 160 21.322 10.378 5.365 348 1HG GLU 160 2HG GLU 160 19.136 10.829 3.844 349 2HG GLU 160 1HG GLU 160 19.803 12.461 3.888 350 H VAL 161 H VAL 161 17.070 9.993 5.626 351 HA VAL 161 HA VAL 161 17.556 7.094 5.765 352 HB VAL 161 HB VAL 161 15.134 7.041 5.159 353 1HG1 VAL 161 1HG1 VAL 161 15.730 7.281 7.509 354 2HG1 VAL 161 2HG1 VAL 161 14.329 8.295 7.166 355 3HG1 VAL 161 3HG1 VAL 161 15.929 9.022 7.312 356 1HG2 VAL 161 1HG2 VAL 161 14.457 9.770 5.403 357 2HG2 VAL 161 2HG2 VAL 161 14.322 8.766 3.959 358 3HG2 VAL 161 3HG2 VAL 161 15.785 9.708 4.244 359 H GLU 162 H GLU 162 16.500 5.854 3.767 360 HA GLU 162 HA GLU 162 17.271 7.137 1.185 361 1HB GLU 162 2HB GLU 162 18.368 4.624 2.457 362 2HB GLU 162 1HB GLU 162 18.445 4.875 0.713 363 1HG GLU 162 2HG GLU 162 19.826 6.784 0.930 364 2HG GLU 162 1HG GLU 162 19.446 6.967 2.644 365 H GLU 163 H GLU 163 16.056 6.307 -0.583 366 HA GLU 163 HA GLU 163 13.481 5.285 -0.181 367 1HB GLU 163 2HB GLU 163 15.394 4.885 -2.505 368 2HB GLU 163 1HB GLU 163 13.646 4.669 -2.593 369 1HG GLU 163 2HG GLU 163 13.216 6.935 -2.434 370 2HG GLU 163 1HG GLU 163 14.689 7.256 -1.516 371 H ASP 164 H ASP 164 12.769 3.300 0.502 372 HA ASP 164 HA ASP 164 14.659 1.098 0.893 373 1HB ASP 164 2HB ASP 164 12.985 1.467 2.554 374 2HB ASP 164 1HB ASP 164 11.703 1.556 1.345 375 H GLU 165 H GLU 165 15.257 0.018 -0.979 376 HA GLU 165 HA GLU 165 13.264 -0.459 -3.120 377 1HB GLU 165 2HB GLU 165 16.219 -1.089 -2.805 378 2HB GLU 165 1HB GLU 165 15.293 -1.342 -4.285 379 1HG GLU 165 2HG GLU 165 15.226 1.362 -2.995 380 2HG GLU 165 1HG GLU 165 16.655 0.903 -3.924 381 H SER 166 H SER 166 13.664 -1.868 -0.266 382 HA SER 166 HA SER 166 13.619 -4.683 -1.283 383 1HB SER 166 2HB SER 166 14.664 -3.263 1.062 384 2HB SER 166 1HB SER 166 13.768 -4.718 1.488 385 HG SER 166 HG SER 166 15.090 -5.864 0.025 386 H ALA 167 H ALA 167 12.278 -3.408 1.737 387 HA ALA 167 HA ALA 167 10.119 -3.689 2.665 388 1HB ALA 167 1HB ALA 167 9.969 -1.937 0.778 389 2HB ALA 167 2HB ALA 167 8.454 -2.674 1.299 390 3HB ALA 167 3HB ALA 167 9.233 -3.217 -0.186 391 H MET 168 H MET 168 7.776 -4.664 1.245 392 HA MET 168 HA MET 168 6.722 -6.709 0.698 393 1HB MET 168 2HB MET 168 9.361 -6.658 -0.569 394 2HB MET 168 1HB MET 168 8.772 -8.293 -0.273 395 1HG MET 168 2HG MET 168 6.868 -7.994 -1.601 396 2HG MET 168 1HG MET 168 6.945 -6.236 -1.482 397 1HE MET 168 1HE MET 168 7.497 -7.974 -5.110 398 2HE MET 168 2HE MET 168 6.443 -8.186 -3.715 399 3HE MET 168 3HE MET 168 7.837 -9.241 -3.923 400 HA PRO 169 HA PRO 169 8.762 -8.531 4.497 401 1HB PRO 169 2HB PRO 169 6.816 -7.881 6.305 402 2HB PRO 169 1HB PRO 169 8.188 -6.817 5.940 403 1HG PRO 169 2HG PRO 169 5.372 -6.654 5.017 404 2HG PRO 169 1HG PRO 169 6.512 -5.359 5.407 405 1HD PRO 169 2HD PRO 169 5.872 -6.164 2.851 406 2HD PRO 169 1HD PRO 169 7.365 -5.309 3.298 407 H LYS 170 H LYS 170 5.326 -8.507 5.209 408 HA LYS 170 HA LYS 170 4.987 -11.273 5.476 409 1HB LYS 170 2HB LYS 170 3.166 -9.000 4.666 410 2HB LYS 170 1HB LYS 170 2.541 -10.635 4.888 411 1HG LYS 170 2HG LYS 170 2.993 -10.646 7.173 412 2HG LYS 170 1HG LYS 170 4.259 -9.425 7.030 413 1HD LYS 170 2HD LYS 170 2.744 -7.664 6.945 414 2HD LYS 170 1HD LYS 170 1.444 -8.679 6.318 415 1HE LYS 170 2HE LYS 170 1.006 -9.634 8.452 416 2HE LYS 170 1HE LYS 170 2.551 -9.060 9.111 417 1HZ LYS 170 1HZ LYS 170 1.846 -6.826 8.956 418 2HZ LYS 170 2HZ LYS 170 0.558 -7.661 9.682 419 3HZ LYS 170 3HZ LYS 170 0.478 -7.231 8.041 420 H LYS 171 H LYS 171 3.635 -12.702 3.959 421 HA LYS 171 HA LYS 171 4.050 -12.091 1.071 422 1HB LYS 171 2HB LYS 171 5.875 -13.529 2.492 423 2HB LYS 171 1HB LYS 171 4.791 -14.819 1.971 424 1HG LYS 171 2HG LYS 171 5.414 -14.629 -0.205 425 2HG LYS 171 1HG LYS 171 5.436 -12.867 -0.139 426 1HD LYS 171 2HD LYS 171 7.559 -14.141 1.453 427 2HD LYS 171 1HD LYS 171 7.680 -14.452 -0.280 428 1HE LYS 171 2HE LYS 171 7.992 -12.202 -0.802 429 2HE LYS 171 1HE LYS 171 7.136 -11.645 0.650 430 1HZ LYS 171 1HZ LYS 171 9.088 -13.056 1.757 431 2HZ LYS 171 2HZ LYS 171 9.230 -11.395 1.425 432 3HZ LYS 171 3HZ LYS 171 9.892 -12.539 0.356 433 H ASP 172 H ASP 172 2.999 -13.971 -0.253 434 HA ASP 172 HA ASP 172 0.695 -15.208 1.185 435 1HB ASP 172 2HB ASP 172 -0.126 -13.082 0.383 436 2HB ASP 172 1HB ASP 172 0.614 -13.335 -1.197 437 H ALA 173 H ALA 173 2.759 -16.768 0.434 438 HA ALA 173 HA ALA 173 3.454 -18.515 -1.011 439 1HB ALA 173 1HB ALA 173 1.375 -19.390 -0.131 440 2HB ALA 173 2HB ALA 173 1.422 -19.770 -1.853 441 3HB ALA 173 3HB ALA 173 0.434 -18.429 -1.273 442 H ARG 174 H ARG 174 2.629 -19.406 -3.447 443 HA ARG 174 HA ARG 174 2.705 -16.982 -5.218 444 1HB ARG 174 2HB ARG 174 4.896 -18.082 -5.019 445 2HB ARG 174 1HB ARG 174 4.172 -19.632 -5.451 446 1HG ARG 174 2HG ARG 174 5.039 -18.903 -7.502 447 2HG ARG 174 1HG ARG 174 3.360 -18.366 -7.593 448 1HD ARG 174 2HD ARG 174 3.949 -16.161 -7.544 449 2HD ARG 174 1HD ARG 174 5.189 -16.430 -6.303 450 HE ARG 174 HE ARG 174 5.937 -17.643 -8.826 451 1HH1 ARG 174 1HH1 ARG 174 6.885 -15.452 -6.530 452 2HH1 ARG 174 2HH1 ARG 174 7.681 -14.360 -7.614 453 1HH2 ARG 174 1HH2 ARG 174 6.482 -15.908 -10.475 454 2HH2 ARG 174 2HH2 ARG 174 7.455 -14.620 -9.847 Start of MODEL 19 1 1H ARG 113 1HT ARG 113 -18.950 1.571 -5.058 2 2H ARG 113 2HT ARG 113 -19.241 3.141 -5.638 3 3H ARG 113 3HT ARG 113 -19.104 2.861 -3.968 4 HA ARG 113 HA ARG 113 -16.809 2.564 -4.056 5 1HB ARG 113 2HB ARG 113 -15.735 2.053 -6.253 6 2HB ARG 113 1HB ARG 113 -16.977 0.874 -5.826 7 1HG ARG 113 2HG ARG 113 -18.153 1.371 -7.679 8 2HG ARG 113 1HG ARG 113 -18.174 3.081 -7.250 9 1HD ARG 113 2HD ARG 113 -17.039 2.938 -9.371 10 2HD ARG 113 1HD ARG 113 -15.766 3.180 -8.158 11 HE ARG 113 HE ARG 113 -16.179 0.398 -8.327 12 1HH1 ARG 113 1HH1 ARG 113 -16.553 1.088 -11.250 13 2HH1 ARG 113 2HH1 ARG 113 -14.932 0.955 -11.846 14 1HH2 ARG 113 1HH2 ARG 113 -13.483 1.050 -8.698 15 2HH2 ARG 113 2HH2 ARG 113 -13.193 0.937 -10.402 16 H ILE 114 H ILE 114 -16.731 4.778 -3.436 17 HA ILE 114 HA ILE 114 -17.392 7.075 -4.832 18 HB ILE 114 HB ILE 114 -14.872 6.566 -3.216 19 1HG1 ILE 114 2HG1 ILE 114 -16.819 7.768 -1.613 20 2HG1 ILE 114 1HG1 ILE 114 -17.710 6.556 -2.532 21 1HG2 ILE 114 1HG2 ILE 114 -15.247 8.996 -2.584 22 2HG2 ILE 114 2HG2 ILE 114 -16.442 9.070 -3.880 23 3HG2 ILE 114 3HG2 ILE 114 -14.752 8.732 -4.256 24 1HD1 ILE 114 1HD1 ILE 114 -16.747 4.853 -1.402 25 2HD1 ILE 114 2HD1 ILE 114 -16.182 6.072 -0.260 26 3HD1 ILE 114 3HD1 ILE 114 -15.137 5.549 -1.582 27 H GLU 115 H GLU 115 -16.581 8.168 -6.615 28 HA GLU 115 HA GLU 115 -14.822 6.831 -8.457 29 1HB GLU 115 2HB GLU 115 -16.575 9.042 -8.361 30 2HB GLU 115 1HB GLU 115 -15.009 9.697 -8.841 31 1HG GLU 115 2HG GLU 115 -15.726 9.044 -10.922 32 2HG GLU 115 1HG GLU 115 -15.051 7.500 -10.401 33 H THR 116 H THR 116 -12.609 7.103 -8.805 34 HA THR 116 HA THR 116 -10.829 7.784 -6.775 35 HB THR 116 HB THR 116 -10.418 8.248 -9.744 36 HG1 THR 116 1HG THR 116 -9.713 5.828 -8.676 37 1HG2 THR 116 1HG2 THR 116 -8.110 7.697 -9.281 38 2HG2 THR 116 2HG2 THR 116 -8.497 7.280 -7.612 39 3HG2 THR 116 3HG2 THR 116 -8.604 8.956 -8.149 40 H ASP 117 H ASP 117 -12.217 9.944 -9.245 41 HA ASP 117 HA ASP 117 -12.428 12.303 -9.231 42 1HB ASP 117 2HB ASP 117 -12.767 11.534 -6.699 43 2HB ASP 117 1HB ASP 117 -11.233 12.378 -6.488 44 H GLU 118 H GLU 118 -10.276 11.511 -10.603 45 HA GLU 118 HA GLU 118 -8.120 12.170 -11.316 46 1HB GLU 118 2HB GLU 118 -9.194 14.455 -9.670 47 2HB GLU 118 1HB GLU 118 -7.578 14.552 -10.371 48 1HG GLU 118 2HG GLU 118 -8.401 14.924 -12.438 49 2HG GLU 118 1HG GLU 118 -9.535 13.579 -12.301 50 H ARG 119 H ARG 119 -5.885 12.894 -10.350 51 HA ARG 119 HA ARG 119 -5.479 11.355 -7.828 52 1HB ARG 119 2HB ARG 119 -3.116 11.355 -8.619 53 2HB ARG 119 1HB ARG 119 -4.218 10.722 -9.843 54 1HG ARG 119 2HG ARG 119 -4.035 12.612 -11.186 55 2HG ARG 119 1HG ARG 119 -3.594 13.655 -9.834 56 1HD ARG 119 2HD ARG 119 -1.522 13.405 -10.897 57 2HD ARG 119 1HD ARG 119 -1.460 12.059 -9.742 58 HE ARG 119 HE ARG 119 -1.563 11.746 -12.581 59 1HH1 ARG 119 1HH2 ARG 119 -1.668 10.036 -9.749 60 2HH1 ARG 119 2HH2 ARG 119 -2.633 8.726 -10.342 61 1HH2 ARG 119 1HH1 ARG 119 -3.402 10.301 -13.335 62 2HH2 ARG 119 2HH1 ARG 119 -3.613 8.876 -12.374 63 H ASP 120 H ASP 120 -3.763 12.294 -6.331 64 HA ASP 120 HA ASP 120 -3.456 15.238 -6.416 65 1HB ASP 120 2HB ASP 120 -5.559 13.904 -5.031 66 2HB ASP 120 1HB ASP 120 -4.433 14.504 -3.812 67 H SER 121 H SER 121 -2.988 12.232 -4.548 68 HA SER 121 HA SER 121 -0.213 13.148 -3.922 69 1HB SER 121 2HB SER 121 -2.372 12.190 -2.029 70 2HB SER 121 1HB SER 121 -0.670 12.233 -1.580 71 HG SER 121 HG SER 121 -2.438 14.219 -1.596 72 H THR 122 H THR 122 -1.581 11.052 -5.713 73 HA THR 122 HA THR 122 -1.117 8.431 -4.660 74 HB THR 122 HB THR 122 -1.009 9.509 -7.497 75 HG1 THR 122 1HG THR 122 -3.233 8.587 -7.360 76 1HG2 THR 122 1HG2 THR 122 -0.359 7.386 -7.953 77 2HG2 THR 122 2HG2 THR 122 -2.028 6.954 -7.587 78 3HG2 THR 122 3HG2 THR 122 -0.788 6.816 -6.340 79 H ASN 123 H ASN 123 0.993 8.646 -3.578 80 HA ASN 123 HA ASN 123 3.235 8.038 -5.398 81 1HB ASN 123 2HB ASN 123 4.554 9.929 -4.206 82 2HB ASN 123 1HB ASN 123 3.397 10.404 -5.449 83 1HD2 ASN 123 1HD2 ASN 123 3.587 9.917 -1.879 84 2HD2 ASN 123 2HD2 ASN 123 2.470 11.140 -1.507 85 H ARG 124 H ARG 124 3.198 6.012 -4.196 86 HA ARG 124 HA ARG 124 3.630 6.077 -1.280 87 1HB ARG 124 2HB ARG 124 3.347 3.708 -1.467 88 2HB ARG 124 1HB ARG 124 2.235 4.408 -2.643 89 1HG ARG 124 2HG ARG 124 4.588 4.169 -4.086 90 2HG ARG 124 1HG ARG 124 4.586 2.716 -3.085 91 1HD ARG 124 2HD ARG 124 2.817 1.806 -4.207 92 2HD ARG 124 1HD ARG 124 1.969 3.362 -4.314 93 HE ARG 124 HE ARG 124 4.322 3.465 -5.944 94 1HH1 ARG 124 1HH2 ARG 124 1.361 1.718 -5.742 95 2HH1 ARG 124 2HH2 ARG 124 1.097 1.703 -7.454 96 1HH2 ARG 124 1HH1 ARG 124 3.923 3.578 -8.177 97 2HH2 ARG 124 2HH1 ARG 124 2.547 2.755 -8.831 98 H ALA 125 H ALA 125 5.596 5.420 -0.267 99 HA ALA 125 HA ALA 125 7.907 4.594 -1.867 100 1HB ALA 125 1HB ALA 125 9.193 6.653 -1.390 101 2HB ALA 125 2HB ALA 125 7.785 7.341 -0.581 102 3HB ALA 125 3HB ALA 125 7.737 7.021 -2.316 103 H SER 126 H SER 126 8.911 3.166 -0.536 104 HA SER 126 HA SER 126 8.652 3.485 2.415 105 1HB SER 126 2HB SER 126 9.927 1.151 1.035 106 2HB SER 126 1HB SER 126 8.902 1.172 2.468 107 HG SER 126 HG SER 126 7.150 1.709 1.075 108 H PHE 127 H PHE 127 10.303 4.805 3.165 109 HA PHE 127 HA PHE 127 13.018 4.567 1.976 110 1HB PHE 127 2HB PHE 127 12.051 6.413 4.170 111 2HB PHE 127 1HB PHE 127 13.399 6.663 3.061 112 HD1 PHE 127 1HD PHE 127 13.043 7.424 0.787 113 HD2 PHE 127 2HD PHE 127 9.718 6.612 3.383 114 HE1 PHE 127 1HE PHE 127 11.520 8.558 -0.808 115 HE2 PHE 127 2HE PHE 127 8.197 7.746 1.788 116 HZ PHE 127 HZ PHE 127 9.096 8.720 -0.307 117 H LYS 128 H LYS 128 14.881 4.383 3.495 118 HA LYS 128 HA LYS 128 14.227 3.067 6.079 119 1HB LYS 128 2HB LYS 128 14.532 1.334 4.367 120 2HB LYS 128 1HB LYS 128 16.087 2.035 3.925 121 1HG LYS 128 2HG LYS 128 16.295 1.707 6.675 122 2HG LYS 128 1HG LYS 128 15.420 0.266 6.157 123 1HD LYS 128 2HD LYS 128 17.443 0.637 4.237 124 2HD LYS 128 1HD LYS 128 18.217 0.924 5.797 125 1HE LYS 128 2HE LYS 128 16.773 -1.276 6.430 126 2HE LYS 128 1HE LYS 128 17.056 -1.588 4.705 127 1HZ LYS 128 1HZ LYS 128 18.971 -2.389 5.752 128 2HZ LYS 128 2HZ LYS 128 19.049 -1.080 6.834 129 3HZ LYS 128 3HZ LYS 128 19.429 -0.855 5.193 130 H CYS 129 H CYS 129 15.819 3.373 7.678 131 HA CYS 129 HA CYS 129 17.752 5.545 7.124 132 1HB CYS 129 2HB CYS 129 16.130 5.629 9.004 133 2HB CYS 129 1HB CYS 129 16.855 4.173 9.672 134 HA PRO 130 HA PRO 130 20.962 2.467 7.000 135 1HB PRO 130 2HB PRO 130 23.052 4.199 6.702 136 2HB PRO 130 1HB PRO 130 21.950 3.776 5.377 137 1HG PRO 130 2HG PRO 130 22.058 6.228 7.038 138 2HG PRO 130 1HG PRO 130 21.610 6.030 5.338 139 1HD PRO 130 2HD PRO 130 19.825 6.358 7.430 140 2HD PRO 130 1HD PRO 130 19.425 5.673 5.840 141 H VAL 131 H VAL 131 20.680 5.036 9.334 142 HA VAL 131 HA VAL 131 22.986 4.138 10.923 143 HB VAL 131 HB VAL 131 20.888 6.286 11.085 144 1HG1 VAL 131 1HG1 VAL 131 22.929 5.626 13.233 145 2HG1 VAL 131 2HG1 VAL 131 21.188 5.390 13.385 146 3HG1 VAL 131 3HG1 VAL 131 21.846 7.018 13.224 147 1HG2 VAL 131 1HG2 VAL 131 23.925 6.294 11.080 148 2HG2 VAL 131 2HG2 VAL 131 22.894 7.724 11.039 149 3HG2 VAL 131 3HG2 VAL 131 22.904 6.604 9.678 150 H CYS 132 H CYS 132 19.628 4.720 12.010 151 HA CYS 132 HA CYS 132 19.931 2.513 13.942 152 1HB CYS 132 2HB CYS 132 17.959 3.439 14.925 153 2HB CYS 132 1HB CYS 132 18.910 4.812 14.368 154 H SER 133 H SER 133 19.502 2.282 10.846 155 HA SER 133 HA SER 133 18.370 0.844 9.363 156 1HB SER 133 2HB SER 133 17.978 -1.418 10.537 157 2HB SER 133 1HB SER 133 19.618 -0.778 10.539 158 HG SER 133 HG SER 133 17.928 -1.267 12.608 159 H SER 134 H SER 134 16.567 2.747 10.791 160 HA SER 134 HA SER 134 14.124 1.203 11.349 161 1HB SER 134 2HB SER 134 15.075 4.029 11.429 162 2HB SER 134 1HB SER 134 13.339 3.768 11.298 163 HG SER 134 HG SER 134 13.321 3.108 13.293 164 H THR 135 H THR 135 12.158 2.752 10.083 165 HA THR 135 HA THR 135 12.834 3.033 7.236 166 HB THR 135 HB THR 135 10.757 0.978 7.937 167 HG1 THR 135 1HG THR 135 12.286 -0.183 8.759 168 1HG2 THR 135 1HG2 THR 135 11.389 0.109 5.730 169 2HG2 THR 135 2HG2 THR 135 12.663 1.322 5.605 170 3HG2 THR 135 3HG2 THR 135 10.971 1.818 5.617 171 H PHE 136 H PHE 136 10.983 3.793 5.956 172 HA PHE 136 HA PHE 136 8.580 4.674 7.463 173 1HB PHE 136 2HB PHE 136 10.303 6.621 5.910 174 2HB PHE 136 1HB PHE 136 8.985 6.994 7.020 175 HD1 PHE 136 1HD PHE 136 12.524 6.298 6.694 176 HD2 PHE 136 2HD PHE 136 9.264 6.483 9.484 177 HE1 PHE 136 1HE PHE 136 14.139 6.405 8.573 178 HE2 PHE 136 2HE PHE 136 10.879 6.590 11.364 179 HZ PHE 136 HZ PHE 136 13.315 6.552 10.907 180 H THR 137 H THR 137 6.946 5.595 5.929 181 HA THR 137 HA THR 137 7.302 4.536 3.139 182 HB THR 137 HB THR 137 4.631 4.544 3.508 183 HG1 THR 137 1HG THR 137 4.669 3.619 5.842 184 1HG2 THR 137 1HG2 THR 137 5.027 2.154 4.509 185 2HG2 THR 137 2HG2 THR 137 6.730 2.528 4.244 186 3HG2 THR 137 3HG2 THR 137 5.608 2.518 2.884 187 H ASP 138 H ASP 138 5.271 5.693 1.827 188 HA ASP 138 HA ASP 138 6.042 8.375 1.372 189 1HB ASP 138 2HB ASP 138 3.690 8.449 0.308 190 2HB ASP 138 1HB ASP 138 4.795 7.204 -0.275 191 H LEU 139 H LEU 139 3.203 7.181 3.221 192 HA LEU 139 HA LEU 139 2.156 9.632 4.079 193 1HB LEU 139 2HB LEU 139 1.059 8.326 5.721 194 2HB LEU 139 1HB LEU 139 1.430 7.160 4.452 195 HG LEU 139 HG LEU 139 3.707 6.986 5.901 196 1HD1 LEU 139 1HD1 LEU 139 3.114 7.016 8.294 197 2HD1 LEU 139 2HD1 LEU 139 1.492 7.579 7.890 198 3HD1 LEU 139 3HD1 LEU 139 2.887 8.611 7.578 199 1HD2 LEU 139 1HD2 LEU 139 1.243 5.503 6.813 200 2HD2 LEU 139 2HD2 LEU 139 2.888 4.894 6.629 201 3HD2 LEU 139 3HD2 LEU 139 1.911 5.239 5.202 202 H GLU 140 H GLU 140 5.088 8.006 5.091 203 HA GLU 140 HA GLU 140 5.504 9.842 7.381 204 1HB GLU 140 2HB GLU 140 7.158 7.595 6.176 205 2HB GLU 140 1HB GLU 140 7.497 8.400 7.709 206 1HG GLU 140 2HG GLU 140 4.834 7.677 7.959 207 2HG GLU 140 1HG GLU 140 5.542 6.306 7.105 208 H ALA 141 H ALA 141 6.249 9.622 4.030 209 HA ALA 141 HA ALA 141 8.766 11.043 4.005 210 1HB ALA 141 1HB ALA 141 8.510 10.163 1.932 211 2HB ALA 141 2HB ALA 141 7.400 11.492 1.594 212 3HB ALA 141 3HB ALA 141 6.775 9.950 2.177 213 H ASN 142 H ASN 142 5.538 12.023 4.619 214 HA ASN 142 HA ASN 142 5.932 14.808 3.698 215 1HB ASN 142 2HB ASN 142 3.673 13.420 5.178 216 2HB ASN 142 1HB ASN 142 3.587 15.019 4.439 217 1HD2 ASN 142 1HD2 ASN 142 3.811 11.545 3.716 218 2HD2 ASN 142 2HD2 ASN 142 3.392 11.687 2.077 219 H GLN 143 H GLN 143 6.258 12.932 6.615 220 HA GLN 143 HA GLN 143 6.293 15.406 8.289 221 1HB GLN 143 2HB GLN 143 5.920 13.910 10.116 222 2HB GLN 143 1HB GLN 143 4.916 13.298 8.803 223 1HG GLN 143 2HG GLN 143 6.908 11.797 8.193 224 2HG GLN 143 1HG GLN 143 7.574 12.232 9.767 225 1HE2 GLN 143 1HE2 GLN 143 4.278 11.317 8.580 226 2HE2 GLN 143 2HE2 GLN 143 4.009 10.162 9.795 227 H LEU 144 H LEU 144 8.383 13.080 6.819 228 HA LEU 144 HA LEU 144 10.629 13.773 8.662 229 1HB LEU 144 2HB LEU 144 10.276 11.669 6.500 230 2HB LEU 144 1HB LEU 144 11.698 11.823 7.532 231 HG LEU 144 HG LEU 144 8.865 11.294 8.478 232 1HD1 LEU 144 1HD1 LEU 144 10.353 9.452 7.332 233 2HD1 LEU 144 2HD1 LEU 144 9.508 9.076 8.834 234 3HD1 LEU 144 3HD1 LEU 144 11.226 9.476 8.864 235 1HD2 LEU 144 1HD2 LEU 144 10.812 10.799 10.485 236 2HD2 LEU 144 2HD2 LEU 144 9.572 12.054 10.479 237 3HD2 LEU 144 3HD2 LEU 144 11.171 12.390 9.814 238 H PHE 145 H PHE 145 9.349 14.558 5.582 239 HA PHE 145 HA PHE 145 11.793 15.086 4.142 240 1HB PHE 145 2HB PHE 145 9.578 14.770 3.113 241 2HB PHE 145 1HB PHE 145 8.984 16.219 3.921 242 HD1 PHE 145 1HD PHE 145 11.734 15.086 1.634 243 HD2 PHE 145 2HD PHE 145 9.106 18.272 2.816 244 HE1 PHE 145 1HE PHE 145 12.570 16.471 -0.244 245 HE2 PHE 145 2HE PHE 145 9.942 19.658 0.939 246 HZ PHE 145 HZ PHE 145 11.674 18.759 -0.593 247 H ASP 146 H ASP 146 12.942 17.047 3.945 248 HA ASP 146 HA ASP 146 12.051 19.362 5.606 249 1HB ASP 146 2HB ASP 146 14.550 19.437 6.329 250 2HB ASP 146 1HB ASP 146 13.510 18.231 7.086 251 HA PRO 147 HA PRO 147 13.356 21.394 1.898 252 1HB PRO 147 2HB PRO 147 13.116 23.962 2.811 253 2HB PRO 147 1HB PRO 147 11.722 22.960 2.361 254 1HG PRO 147 2HG PRO 147 12.799 23.603 5.055 255 2HG PRO 147 1HG PRO 147 11.121 23.422 4.523 256 1HD PRO 147 2HD PRO 147 12.506 21.500 5.897 257 2HD PRO 147 1HD PRO 147 11.138 21.159 4.814 258 H MET 148 H MET 148 15.069 21.245 4.798 259 HA MET 148 HA MET 148 17.107 23.241 4.366 260 1HB MET 148 2HB MET 148 18.230 22.058 6.150 261 2HB MET 148 1HB MET 148 16.502 22.001 6.496 262 1HG MET 148 2HG MET 148 16.328 19.746 5.700 263 2HG MET 148 1HG MET 148 17.951 19.796 5.013 264 1HE MET 148 1HE MET 148 16.626 20.056 9.291 265 2HE MET 148 2HE MET 148 16.123 18.566 8.497 266 3HE MET 148 3HE MET 148 15.710 20.119 7.779 267 H THR 149 H THR 149 16.415 20.329 2.727 268 HA THR 149 HA THR 149 18.961 20.512 1.237 269 HB THR 149 HB THR 149 19.546 19.087 3.111 270 HG1 THR 149 1HG THR 149 18.933 17.594 0.781 271 1HG2 THR 149 1HG2 THR 149 18.198 17.424 3.982 272 2HG2 THR 149 2HG2 THR 149 17.407 17.110 2.437 273 3HG2 THR 149 3HG2 THR 149 16.962 18.530 3.383 274 H GLY 150 H GLY 150 16.006 18.584 1.753 275 1HA GLY 150 2HA GLY 150 14.370 18.624 -0.174 276 2HA GLY 150 1HA GLY 150 15.765 18.361 -1.221 277 H THR 151 H THR 151 15.563 16.751 1.875 278 HA THR 151 HA THR 151 14.757 14.211 0.510 279 HB THR 151 HB THR 151 16.833 13.872 2.530 280 HG1 THR 151 1HG THR 151 17.594 15.275 0.202 281 1HG2 THR 151 1HG2 THR 151 16.333 13.117 -0.332 282 2HG2 THR 151 2HG2 THR 151 16.522 12.075 1.078 283 3HG2 THR 151 3HG2 THR 151 17.931 12.864 0.371 284 H PHE 152 H PHE 152 14.896 12.489 2.614 285 HA PHE 152 HA PHE 152 13.023 13.701 4.616 286 1HB PHE 152 2HB PHE 152 13.411 10.800 3.819 287 2HB PHE 152 1HB PHE 152 12.072 11.477 4.746 288 HD1 PHE 152 1HD PHE 152 10.691 13.365 3.593 289 HD2 PHE 152 2HD PHE 152 13.234 10.620 1.484 290 HE1 PHE 152 1HE PHE 152 9.472 13.853 1.488 291 HE2 PHE 152 2HE PHE 152 12.015 11.106 -0.620 292 HZ PHE 152 HZ PHE 152 10.134 12.723 -0.618 293 H ARG 153 H ARG 153 13.608 13.601 6.779 294 HA ARG 153 HA ARG 153 16.221 12.278 7.399 295 1HB ARG 153 2HB ARG 153 14.722 14.684 8.344 296 2HB ARG 153 1HB ARG 153 15.771 13.868 9.506 297 1HG ARG 153 2HG ARG 153 16.967 14.262 6.836 298 2HG ARG 153 1HG ARG 153 16.640 15.749 7.726 299 1HD ARG 153 2HD ARG 153 17.732 14.201 9.703 300 2HD ARG 153 1HD ARG 153 18.632 13.638 8.280 301 HE ARG 153 HE ARG 153 18.319 16.569 8.629 302 1HH1 ARG 153 1HH2 ARG 153 20.248 14.476 7.088 303 2HH1 ARG 153 2HH2 ARG 153 21.751 14.988 7.782 304 1HH2 ARG 153 1HH1 ARG 153 20.258 16.914 10.249 305 2HH2 ARG 153 2HH1 ARG 153 21.756 16.366 9.573 306 H CYS 154 H CYS 154 16.388 10.925 9.212 307 HA CYS 154 HA CYS 154 14.283 9.174 9.872 308 1HB CYS 154 2HB CYS 154 16.810 9.040 10.243 309 2HB CYS 154 1HB CYS 154 16.551 10.025 11.679 310 H THR 155 H THR 155 13.452 8.980 12.285 311 HA THR 155 HA THR 155 12.556 11.703 13.176 312 HB THR 155 HB THR 155 10.823 9.571 14.031 313 HG1 THR 155 1HG THR 155 10.828 8.331 12.361 314 1HG2 THR 155 1HG2 THR 155 9.626 11.480 13.765 315 2HG2 THR 155 2HG2 THR 155 9.485 10.967 12.084 316 3HG2 THR 155 3HG2 THR 155 10.738 12.115 12.552 317 H PHE 156 H PHE 156 14.043 8.698 14.117 318 HA PHE 156 HA PHE 156 13.855 9.497 16.983 319 1HB PHE 156 2HB PHE 156 14.943 6.916 16.790 320 2HB PHE 156 1HB PHE 156 13.316 7.338 17.296 321 HD1 PHE 156 1HD PHE 156 15.378 6.642 14.259 322 HD2 PHE 156 2HD PHE 156 11.457 6.698 16.007 323 HE1 PHE 156 1HE PHE 156 14.460 5.551 12.238 324 HE2 PHE 156 2HE PHE 156 10.537 5.599 13.983 325 HZ PHE 156 HZ PHE 156 12.040 5.022 12.097 326 H CYS 157 H CYS 157 16.121 8.451 14.462 327 HA CYS 157 HA CYS 157 18.338 9.404 16.229 328 1HB CYS 157 2HB CYS 157 19.520 7.566 15.572 329 2HB CYS 157 1HB CYS 157 17.934 6.934 15.158 330 H HIS 158 H HIS 158 16.449 10.637 14.029 331 HA HIS 158 HA HIS 158 16.607 12.210 12.275 332 1HB HIS 158 2HB HIS 158 18.770 12.836 14.282 333 2HB HIS 158 1HB HIS 158 18.369 13.939 12.964 334 HD1 HIS 158 1HD HIS 158 16.308 15.372 13.241 335 HD2 HIS 158 2HD HIS 158 16.494 12.323 16.076 336 HE1 HIS 158 1HE HIS 158 14.411 15.789 14.867 337 H THR 159 H THR 159 18.324 9.699 11.770 338 HA THR 159 HA THR 159 20.639 10.815 10.313 339 HB THR 159 HB THR 159 19.452 8.076 10.775 340 HG1 THR 159 1HG THR 159 20.949 9.493 12.215 341 1HG2 THR 159 1HG2 THR 159 20.514 8.412 8.439 342 2HG2 THR 159 2HG2 THR 159 21.106 7.073 9.417 343 3HG2 THR 159 3HG2 THR 159 22.039 8.565 9.310 344 H GLU 160 H GLU 160 20.828 10.598 7.957 345 HA GLU 160 HA GLU 160 18.467 11.287 6.489 346 1HB GLU 160 2HB GLU 160 20.973 11.681 6.007 347 2HB GLU 160 1HB GLU 160 20.975 10.045 5.346 348 1HG GLU 160 2HG GLU 160 19.536 10.606 3.594 349 2HG GLU 160 1HG GLU 160 18.875 11.997 4.453 350 H VAL 161 H VAL 161 17.144 10.007 5.126 351 HA VAL 161 HA VAL 161 17.411 7.043 5.508 352 HB VAL 161 HB VAL 161 14.923 7.110 5.103 353 1HG1 VAL 161 1HG1 VAL 161 15.921 8.920 7.324 354 2HG1 VAL 161 2HG1 VAL 161 15.890 7.158 7.392 355 3HG1 VAL 161 3HG1 VAL 161 14.380 8.063 7.296 356 1HG2 VAL 161 1HG2 VAL 161 13.930 8.996 4.362 357 2HG2 VAL 161 2HG2 VAL 161 15.538 9.694 4.170 358 3HG2 VAL 161 3HG2 VAL 161 14.644 9.941 5.670 359 H GLU 162 H GLU 162 16.558 5.750 3.621 360 HA GLU 162 HA GLU 162 16.757 7.157 0.993 361 1HB GLU 162 2HB GLU 162 18.489 5.005 2.160 362 2HB GLU 162 1HB GLU 162 18.186 4.986 0.423 363 1HG GLU 162 2HG GLU 162 18.818 7.669 1.355 364 2HG GLU 162 1HG GLU 162 20.105 6.530 1.754 365 H GLU 163 H GLU 163 15.760 5.898 -0.758 366 HA GLU 163 HA GLU 163 13.334 4.589 -0.091 367 1HB GLU 163 2HB GLU 163 15.095 4.912 -2.479 368 2HB GLU 163 1HB GLU 163 13.833 3.684 -2.573 369 1HG GLU 163 2HG GLU 163 12.803 6.130 -1.400 370 2HG GLU 163 1HG GLU 163 13.519 6.446 -2.981 371 H ASP 164 H ASP 164 12.951 2.538 0.641 372 HA ASP 164 HA ASP 164 15.166 0.627 0.916 373 1HB ASP 164 2HB ASP 164 13.481 1.006 2.674 374 2HB ASP 164 1HB ASP 164 12.202 0.503 1.566 375 H GLU 165 H GLU 165 15.717 -0.443 -0.973 376 HA GLU 165 HA GLU 165 13.499 -1.440 -2.723 377 1HB GLU 165 2HB GLU 165 15.105 -1.318 -4.492 378 2HB GLU 165 1HB GLU 165 15.349 0.145 -3.538 379 1HG GLU 165 2HG GLU 165 17.219 -0.902 -2.354 380 2HG GLU 165 1HG GLU 165 16.951 -2.411 -3.227 381 H SER 166 H SER 166 14.975 -2.616 -0.171 382 HA SER 166 HA SER 166 15.765 -5.230 -1.405 383 1HB SER 166 2HB SER 166 16.864 -3.498 0.594 384 2HB SER 166 1HB SER 166 16.426 -5.020 1.368 385 HG SER 166 HG SER 166 17.849 -4.874 -1.078 386 H ALA 167 H ALA 167 13.388 -3.674 0.571 387 HA ALA 167 HA ALA 167 12.251 -6.360 1.280 388 1HB ALA 167 1HB ALA 167 11.781 -5.556 3.444 389 2HB ALA 167 2HB ALA 167 11.898 -3.871 2.942 390 3HB ALA 167 3HB ALA 167 13.359 -4.846 3.100 391 H MET 168 H MET 168 10.073 -6.601 0.818 392 HA MET 168 HA MET 168 7.975 -6.100 -0.144 393 1HB MET 168 2HB MET 168 8.680 -3.518 1.288 394 2HB MET 168 1HB MET 168 7.066 -3.921 0.702 395 1HG MET 168 2HG MET 168 8.570 -5.780 2.541 396 2HG MET 168 1HG MET 168 7.599 -4.451 3.177 397 1HE MET 168 1HE MET 168 5.536 -6.791 4.326 398 2HE MET 168 2HE MET 168 4.542 -5.475 3.705 399 3HE MET 168 3HE MET 168 6.159 -5.134 4.315 400 HA PRO 169 HA PRO 169 10.092 -3.594 -3.486 401 1HB PRO 169 2HB PRO 169 10.346 -5.602 -5.326 402 2HB PRO 169 1HB PRO 169 11.589 -5.247 -4.109 403 1HG PRO 169 2HG PRO 169 9.544 -7.400 -4.152 404 2HG PRO 169 1HG PRO 169 11.209 -7.435 -3.558 405 1HD PRO 169 2HD PRO 169 8.994 -7.218 -1.946 406 2HD PRO 169 1HD PRO 169 10.622 -6.666 -1.495 407 H LYS 170 H LYS 170 8.821 -2.669 -5.124 408 HA LYS 170 HA LYS 170 6.302 -4.108 -5.885 409 1HB LYS 170 2HB LYS 170 5.954 -2.391 -4.107 410 2HB LYS 170 1HB LYS 170 6.634 -1.172 -5.184 411 1HG LYS 170 2HG LYS 170 4.345 -0.928 -5.582 412 2HG LYS 170 1HG LYS 170 4.815 -2.042 -6.867 413 1HD LYS 170 2HD LYS 170 4.158 -3.952 -5.404 414 2HD LYS 170 1HD LYS 170 3.591 -2.797 -4.198 415 1HE LYS 170 2HE LYS 170 1.614 -3.269 -5.387 416 2HE LYS 170 1HE LYS 170 2.198 -1.817 -6.224 417 1HZ LYS 170 1HZ LYS 170 2.186 -4.585 -7.117 418 2HZ LYS 170 2HZ LYS 170 3.603 -3.711 -7.460 419 3HZ LYS 170 3HZ LYS 170 2.100 -3.154 -8.023 420 H LYS 171 H LYS 171 7.483 -4.618 -7.900 421 HA LYS 171 HA LYS 171 7.065 -2.620 -9.969 422 1HB LYS 171 2HB LYS 171 9.596 -2.790 -8.535 423 2HB LYS 171 1HB LYS 171 9.819 -3.066 -10.264 424 1HG LYS 171 2HG LYS 171 7.993 -0.925 -10.062 425 2HG LYS 171 1HG LYS 171 9.261 -0.587 -8.884 426 1HD LYS 171 2HD LYS 171 10.896 -1.240 -10.807 427 2HD LYS 171 1HD LYS 171 9.509 -0.962 -11.860 428 1HE LYS 171 2HE LYS 171 10.845 1.029 -10.001 429 2HE LYS 171 1HE LYS 171 10.636 1.147 -11.759 430 1HZ LYS 171 1HZ LYS 171 8.556 1.272 -9.656 431 2HZ LYS 171 2HZ LYS 171 8.170 0.919 -11.272 432 3HZ LYS 171 3HZ LYS 171 8.887 2.406 -10.872 433 H ASP 172 H ASP 172 8.406 -3.530 -12.054 434 HA ASP 172 HA ASP 172 7.303 -6.059 -12.718 435 1HB ASP 172 2HB ASP 172 9.268 -4.121 -13.784 436 2HB ASP 172 1HB ASP 172 9.465 -5.769 -14.381 437 H ALA 173 H ALA 173 9.166 -7.752 -13.672 438 HA ALA 173 HA ALA 173 10.714 -9.428 -13.055 439 1HB ALA 173 1HB ALA 173 11.883 -7.055 -12.662 440 2HB ALA 173 2HB ALA 173 12.674 -8.555 -12.181 441 3HB ALA 173 3HB ALA 173 11.826 -7.583 -10.980 442 H ARG 174 H ARG 174 10.218 -11.164 -11.776 443 HA ARG 174 HA ARG 174 8.373 -11.203 -9.671 444 1HB ARG 174 2HB ARG 174 9.935 -12.989 -11.058 445 2HB ARG 174 1HB ARG 174 10.623 -13.100 -9.438 446 1HG ARG 174 2HG ARG 174 7.741 -13.026 -9.273 447 2HG ARG 174 1HG ARG 174 8.249 -14.314 -10.369 448 1HD ARG 174 2HD ARG 174 10.046 -14.522 -8.243 449 2HD ARG 174 1HD ARG 174 8.490 -14.183 -7.461 450 HE ARG 174 HE ARG 174 7.932 -16.051 -9.481 451 1HH1 ARG 174 1HH2 ARG 174 10.542 -17.276 -8.908 452 2HH1 ARG 174 2HH2 ARG 174 10.202 -18.326 -7.573 453 1HH2 ARG 174 1HH1 ARG 174 7.198 -16.787 -6.782 454 2HH2 ARG 174 2HH1 ARG 174 8.310 -18.051 -6.371 Start of MODEL 20 1 1H ARG 113 1HT ARG 113 -15.683 21.138 -6.129 2 2H ARG 113 2HT ARG 113 -17.176 20.421 -6.512 3 3H ARG 113 3HT ARG 113 -15.733 19.769 -7.128 4 HA ARG 113 HA ARG 113 -16.618 19.771 -4.288 5 1HB ARG 113 2HB ARG 113 -16.962 18.080 -6.579 6 2HB ARG 113 1HB ARG 113 -15.934 17.239 -5.418 7 1HG ARG 113 2HG ARG 113 -17.631 17.842 -3.633 8 2HG ARG 113 1HG ARG 113 -18.690 18.394 -4.932 9 1HD ARG 113 2HD ARG 113 -17.547 15.710 -5.386 10 2HD ARG 113 1HD ARG 113 -18.646 15.816 -3.997 11 HE ARG 113 HE ARG 113 -20.200 17.066 -5.672 12 1HH1 ARG 113 1HH1 ARG 113 -20.186 14.020 -5.802 13 2HH1 ARG 113 2HH1 ARG 113 -20.049 13.759 -7.509 14 1HH2 ARG 113 1HH2 ARG 113 -19.038 17.006 -8.191 15 2HH2 ARG 113 2HH2 ARG 113 -19.398 15.451 -8.862 16 H ILE 114 H ILE 114 -14.913 19.865 -2.889 17 HA ILE 114 HA ILE 114 -12.157 19.421 -3.916 18 HB ILE 114 HB ILE 114 -11.547 20.550 -1.812 19 1HG1 ILE 114 2HG1 ILE 114 -14.252 21.217 -0.967 20 2HG1 ILE 114 1HG1 ILE 114 -13.981 19.475 -0.923 21 1HG2 ILE 114 1HG2 ILE 114 -12.865 21.677 -3.944 22 2HG2 ILE 114 2HG2 ILE 114 -12.118 22.592 -2.635 23 3HG2 ILE 114 3HG2 ILE 114 -13.844 22.230 -2.584 24 1HD1 ILE 114 1HD1 ILE 114 -12.066 21.483 0.288 25 2HD1 ILE 114 2HD1 ILE 114 -12.052 19.731 0.491 26 3HD1 ILE 114 3HD1 ILE 114 -13.347 20.691 1.205 27 H GLU 115 H GLU 115 -11.138 18.783 -1.243 28 HA GLU 115 HA GLU 115 -10.757 16.903 0.147 29 1HB GLU 115 2HB GLU 115 -13.534 17.154 -0.287 30 2HB GLU 115 1HB GLU 115 -13.172 15.445 -0.528 31 1HG GLU 115 2HG GLU 115 -13.027 15.173 1.699 32 2HG GLU 115 1HG GLU 115 -11.684 16.316 1.738 33 H THR 116 H THR 116 -12.667 15.610 -2.598 34 HA THR 116 HA THR 116 -10.960 13.298 -2.925 35 HB THR 116 HB THR 116 -13.009 14.629 -4.728 36 HG1 THR 116 1HG THR 116 -14.248 12.798 -3.819 37 1HG2 THR 116 1HG2 THR 116 -12.092 13.163 -6.223 38 2HG2 THR 116 2HG2 THR 116 -13.102 12.004 -5.356 39 3HG2 THR 116 3HG2 THR 116 -11.390 12.153 -4.958 40 H ASP 117 H ASP 117 -10.761 16.575 -4.025 41 HA ASP 117 HA ASP 117 -9.041 15.951 -6.341 42 1HB ASP 117 2HB ASP 117 -10.782 17.966 -5.641 43 2HB ASP 117 1HB ASP 117 -9.217 18.713 -5.321 44 H GLU 118 H GLU 118 -8.527 15.908 -3.085 45 HA GLU 118 HA GLU 118 -5.895 17.286 -3.125 46 1HB GLU 118 2HB GLU 118 -7.944 16.496 -1.196 47 2HB GLU 118 1HB GLU 118 -6.321 16.077 -0.645 48 1HG GLU 118 2HG GLU 118 -6.917 18.805 -1.784 49 2HG GLU 118 1HG GLU 118 -7.208 18.446 -0.082 50 H ARG 119 H ARG 119 -4.340 15.804 -1.505 51 HA ARG 119 HA ARG 119 -2.977 13.876 -1.392 52 1HB ARG 119 2HB ARG 119 -5.731 13.068 -1.786 53 2HB ARG 119 1HB ARG 119 -4.641 11.921 -2.567 54 1HG ARG 119 2HG ARG 119 -3.327 12.309 -0.222 55 2HG ARG 119 1HG ARG 119 -4.994 12.529 0.312 56 1HD ARG 119 2HD ARG 119 -5.605 10.341 -0.247 57 2HD ARG 119 1HD ARG 119 -4.302 10.179 -1.440 58 HE ARG 119 HE ARG 119 -3.735 10.373 1.494 59 1HH1 ARG 119 1HH2 ARG 119 -2.079 10.122 -1.317 60 2HH1 ARG 119 2HH2 ARG 119 -1.324 8.598 -0.989 61 1HH2 ARG 119 1HH1 ARG 119 -3.291 7.919 1.784 62 2HH2 ARG 119 2HH1 ARG 119 -2.010 7.352 0.765 63 H ASP 120 H ASP 120 -1.303 13.867 -2.835 64 HA ASP 120 HA ASP 120 -1.894 13.125 -5.676 65 1HB ASP 120 2HB ASP 120 -1.625 15.555 -5.500 66 2HB ASP 120 1HB ASP 120 -0.111 15.345 -4.621 67 H SER 121 H SER 121 -1.046 11.223 -3.869 68 HA SER 121 HA SER 121 1.609 10.828 -3.226 69 1HB SER 121 2HB SER 121 -0.698 9.183 -4.025 70 2HB SER 121 1HB SER 121 0.855 8.387 -4.270 71 HG SER 121 HG SER 121 1.235 8.448 -2.158 72 H THR 122 H THR 122 3.143 11.724 -4.663 73 HA THR 122 HA THR 122 3.109 10.940 -7.518 74 HB THR 122 HB THR 122 5.394 12.388 -7.078 75 HG1 THR 122 1HG THR 122 4.335 14.045 -5.559 76 1HG2 THR 122 1HG2 THR 122 3.947 13.189 -8.712 77 2HG2 THR 122 2HG2 THR 122 3.745 14.410 -7.456 78 3HG2 THR 122 3HG2 THR 122 2.545 13.132 -7.646 79 H ASN 123 H ASN 123 5.644 10.936 -4.981 80 HA ASN 123 HA ASN 123 6.775 8.464 -6.239 81 1HB ASN 123 2HB ASN 123 8.833 9.250 -4.955 82 2HB ASN 123 1HB ASN 123 8.286 10.343 -6.226 83 1HD2 ASN 123 1HD2 ASN 123 8.642 12.430 -5.414 84 2HD2 ASN 123 2HD2 ASN 123 8.144 12.963 -3.881 85 H ARG 124 H ARG 124 4.579 7.996 -4.617 86 HA ARG 124 HA ARG 124 5.000 7.689 -1.835 87 1HB ARG 124 2HB ARG 124 3.217 5.928 -2.110 88 2HB ARG 124 1HB ARG 124 2.839 7.450 -2.920 89 1HG ARG 124 2HG ARG 124 3.380 6.579 -5.058 90 2HG ARG 124 1HG ARG 124 4.225 5.192 -4.368 91 1HD ARG 124 2HD ARG 124 2.229 4.094 -3.794 92 2HD ARG 124 1HD ARG 124 1.287 5.598 -3.812 93 HE ARG 124 HE ARG 124 1.796 3.955 -6.114 94 1HH1 ARG 124 1HH2 ARG 124 -0.439 5.858 -6.093 95 2HH1 ARG 124 2HH2 ARG 124 0.092 7.105 -7.172 96 1HH2 ARG 124 1HH1 ARG 124 3.426 6.156 -7.050 97 2HH2 ARG 124 2HH1 ARG 124 2.282 7.276 -7.710 98 H ALA 125 H ALA 125 5.950 6.045 -0.596 99 HA ALA 125 HA ALA 125 6.671 3.445 -1.419 100 1HB ALA 125 1HB ALA 125 8.220 5.558 -2.611 101 2HB ALA 125 2HB ALA 125 8.364 3.819 -2.868 102 3HB ALA 125 3HB ALA 125 9.268 4.596 -1.569 103 H SER 126 H SER 126 8.962 2.873 -0.121 104 HA SER 126 HA SER 126 8.584 4.048 2.612 105 1HB SER 126 2HB SER 126 9.681 1.555 2.968 106 2HB SER 126 1HB SER 126 7.953 1.894 3.007 107 HG SER 126 HG SER 126 7.858 1.384 0.811 108 H PHE 127 H PHE 127 10.379 5.079 3.378 109 HA PHE 127 HA PHE 127 12.977 4.683 1.984 110 1HB PHE 127 2HB PHE 127 12.148 6.686 4.107 111 2HB PHE 127 1HB PHE 127 13.528 6.806 3.015 112 HD1 PHE 127 1HD PHE 127 9.835 6.930 3.246 113 HD2 PHE 127 2HD PHE 127 13.259 7.469 0.707 114 HE1 PHE 127 1HE PHE 127 8.403 8.033 1.549 115 HE2 PHE 127 2HE PHE 127 11.826 8.572 -0.990 116 HZ PHE 127 HZ PHE 127 9.399 8.855 -0.570 117 H LYS 128 H LYS 128 14.879 4.122 3.182 118 HA LYS 128 HA LYS 128 14.356 2.958 5.886 119 1HB LYS 128 2HB LYS 128 14.795 1.150 4.459 120 2HB LYS 128 1HB LYS 128 15.930 2.075 3.481 121 1HG LYS 128 2HG LYS 128 17.688 1.586 4.840 122 2HG LYS 128 1HG LYS 128 16.728 1.780 6.306 123 1HD LYS 128 2HD LYS 128 15.870 -0.543 4.774 124 2HD LYS 128 1HD LYS 128 17.580 -0.641 5.195 125 1HE LYS 128 2HE LYS 128 17.101 -0.374 7.546 126 2HE LYS 128 1HE LYS 128 15.402 0.012 7.208 127 1HZ LYS 128 1HZ LYS 128 16.596 -2.489 6.201 128 2HZ LYS 128 2HZ LYS 128 14.963 -2.128 6.491 129 3HZ LYS 128 3HZ LYS 128 16.017 -2.408 7.794 130 H CYS 129 H CYS 129 16.038 3.250 7.458 131 HA CYS 129 HA CYS 129 17.812 5.571 6.910 132 1HB CYS 129 2HB CYS 129 16.207 5.632 8.795 133 2HB CYS 129 1HB CYS 129 16.953 4.184 9.468 134 HA PRO 130 HA PRO 130 21.162 2.650 6.797 135 1HB PRO 130 2HB PRO 130 23.175 4.476 6.543 136 2HB PRO 130 1HB PRO 130 22.107 4.020 5.202 137 1HG PRO 130 2HG PRO 130 22.073 6.448 6.907 138 2HG PRO 130 1HG PRO 130 21.681 6.264 5.191 139 1HD PRO 130 2HD PRO 130 19.818 6.482 7.214 140 2HD PRO 130 1HD PRO 130 19.507 5.762 5.620 141 H VAL 131 H VAL 131 20.810 5.216 9.155 142 HA VAL 131 HA VAL 131 23.120 4.327 10.744 143 HB VAL 131 HB VAL 131 21.003 6.455 10.936 144 1HG1 VAL 131 1HG1 VAL 131 21.198 5.764 13.222 145 2HG1 VAL 131 2HG1 VAL 131 22.237 7.177 13.052 146 3HG1 VAL 131 3HG1 VAL 131 22.944 5.563 13.082 147 1HG2 VAL 131 1HG2 VAL 131 22.920 7.930 10.779 148 2HG2 VAL 131 2HG2 VAL 131 23.084 6.705 9.522 149 3HG2 VAL 131 3HG2 VAL 131 24.032 6.582 11.005 150 H CYS 132 H CYS 132 19.767 4.886 11.846 151 HA CYS 132 HA CYS 132 20.082 2.678 13.765 152 1HB CYS 132 2HB CYS 132 18.106 3.575 14.751 153 2HB CYS 132 1HB CYS 132 19.009 4.969 14.166 154 H SER 133 H SER 133 19.686 2.432 10.664 155 HA SER 133 HA SER 133 18.588 0.970 9.179 156 1HB SER 133 2HB SER 133 18.081 -1.258 10.552 157 2HB SER 133 1HB SER 133 19.728 -0.751 10.195 158 HG SER 133 HG SER 133 19.381 -1.268 12.419 159 H SER 134 H SER 134 16.789 2.834 10.813 160 HA SER 134 HA SER 134 14.349 1.270 11.241 161 1HB SER 134 2HB SER 134 15.142 4.179 11.270 162 2HB SER 134 1HB SER 134 13.459 3.698 11.459 163 HG SER 134 HG SER 134 14.685 3.917 13.451 164 H THR 135 H THR 135 12.313 2.501 10.040 165 HA THR 135 HA THR 135 12.978 3.043 7.197 166 HB THR 135 HB THR 135 10.989 0.892 7.922 167 HG1 THR 135 1HG THR 135 13.521 0.169 7.070 168 1HG2 THR 135 1HG2 THR 135 10.868 1.742 5.654 169 2HG2 THR 135 2HG2 THR 135 11.592 0.134 5.609 170 3HG2 THR 135 3HG2 THR 135 12.612 1.565 5.454 171 H PHE 136 H PHE 136 11.010 3.753 5.990 172 HA PHE 136 HA PHE 136 8.736 4.630 7.706 173 1HB PHE 136 2HB PHE 136 10.283 6.466 5.852 174 2HB PHE 136 1HB PHE 136 9.021 6.924 6.995 175 HD1 PHE 136 1HD PHE 136 12.539 5.962 6.597 176 HD2 PHE 136 2HD PHE 136 9.446 6.919 9.420 177 HE1 PHE 136 1HE PHE 136 14.248 6.265 8.369 178 HE2 PHE 136 2HE PHE 136 11.154 7.222 11.191 179 HZ PHE 136 HZ PHE 136 13.555 6.898 10.663 180 H THR 137 H THR 137 7.003 5.643 6.221 181 HA THR 137 HA THR 137 6.989 4.294 3.537 182 HB THR 137 HB THR 137 4.405 4.270 4.160 183 HG1 THR 137 1HG THR 137 4.662 3.721 6.617 184 1HG2 THR 137 1HG2 THR 137 5.411 2.173 5.771 185 2HG2 THR 137 2HG2 THR 137 6.601 2.435 4.496 186 3HG2 THR 137 3HG2 THR 137 4.924 2.085 4.079 187 H ASP 138 H ASP 138 5.027 5.362 2.228 188 HA ASP 138 HA ASP 138 5.666 8.024 1.601 189 1HB ASP 138 2HB ASP 138 3.223 7.984 0.711 190 2HB ASP 138 1HB ASP 138 4.353 6.785 0.083 191 H LEU 139 H LEU 139 3.148 6.844 3.857 192 HA LEU 139 HA LEU 139 2.016 9.357 4.538 193 1HB LEU 139 2HB LEU 139 1.056 8.146 6.336 194 2HB LEU 139 1HB LEU 139 1.360 6.908 5.119 195 HG LEU 139 HG LEU 139 3.728 6.834 6.400 196 1HD1 LEU 139 1HD1 LEU 139 3.262 7.007 8.849 197 2HD1 LEU 139 2HD1 LEU 139 1.676 7.676 8.469 198 3HD1 LEU 139 3HD1 LEU 139 3.136 8.560 8.022 199 1HD2 LEU 139 1HD2 LEU 139 2.110 5.206 8.004 200 2HD2 LEU 139 2HD2 LEU 139 2.883 4.740 6.488 201 3HD2 LEU 139 3HD2 LEU 139 1.226 5.345 6.484 202 H GLU 140 H GLU 140 5.073 7.925 5.373 203 HA GLU 140 HA GLU 140 5.572 9.880 7.552 204 1HB GLU 140 2HB GLU 140 7.389 7.743 6.406 205 2HB GLU 140 1HB GLU 140 7.458 8.467 8.014 206 1HG GLU 140 2HG GLU 140 5.036 7.521 8.272 207 2HG GLU 140 1HG GLU 140 5.485 6.475 6.926 208 H ALA 141 H ALA 141 6.100 9.454 4.182 209 HA ALA 141 HA ALA 141 8.584 10.854 3.839 210 1HB ALA 141 1HB ALA 141 7.154 9.354 2.260 211 2HB ALA 141 2HB ALA 141 8.006 10.724 1.548 212 3HB ALA 141 3HB ALA 141 6.279 10.840 1.889 213 H ASN 142 H ASN 142 5.207 11.946 4.031 214 HA ASN 142 HA ASN 142 5.711 14.684 3.256 215 1HB ASN 142 2HB ASN 142 3.529 13.583 5.050 216 2HB ASN 142 1HB ASN 142 3.437 14.993 3.995 217 1HD2 ASN 142 1HD2 ASN 142 1.563 12.872 3.702 218 2HD2 ASN 142 2HD2 ASN 142 1.858 12.082 2.228 219 H GLN 143 H GLN 143 6.160 12.898 6.212 220 HA GLN 143 HA GLN 143 6.504 15.431 7.766 221 1HB GLN 143 2HB GLN 143 6.363 13.845 9.703 222 2HB GLN 143 1HB GLN 143 4.942 13.776 8.660 223 1HG GLN 143 2HG GLN 143 5.616 11.739 7.675 224 2HG GLN 143 1HG GLN 143 7.280 11.920 8.231 225 1HE2 GLN 143 1HE2 GLN 143 4.134 10.697 9.091 226 2HE2 GLN 143 2HE2 GLN 143 4.542 10.163 10.649 227 H LEU 144 H LEU 144 8.193 12.620 6.522 228 HA LEU 144 HA LEU 144 10.607 13.080 8.144 229 1HB LEU 144 2HB LEU 144 9.758 11.227 5.913 230 2HB LEU 144 1HB LEU 144 11.415 11.239 6.515 231 HG LEU 144 HG LEU 144 9.061 10.953 8.382 232 1HD1 LEU 144 1HD1 LEU 144 9.299 8.543 8.245 233 2HD1 LEU 144 2HD1 LEU 144 10.648 8.698 7.118 234 3HD1 LEU 144 3HD1 LEU 144 9.021 9.160 6.616 235 1HD2 LEU 144 1HD2 LEU 144 12.034 10.404 8.498 236 2HD2 LEU 144 2HD2 LEU 144 10.914 9.731 9.681 237 3HD2 LEU 144 3HD2 LEU 144 11.087 11.479 9.527 238 H PHE 145 H PHE 145 9.300 14.231 5.170 239 HA PHE 145 HA PHE 145 11.794 14.739 3.777 240 1HB PHE 145 2HB PHE 145 9.460 14.491 2.823 241 2HB PHE 145 1HB PHE 145 9.094 16.087 3.480 242 HD1 PHE 145 1HD PHE 145 11.812 14.420 1.490 243 HD2 PHE 145 2HD PHE 145 9.356 17.899 2.049 244 HE1 PHE 145 1HE PHE 145 12.861 15.478 -0.492 245 HE2 PHE 145 2HE PHE 145 10.403 18.958 0.066 246 HZ PHE 145 HZ PHE 145 12.157 17.748 -1.204 247 H ASP 146 H ASP 146 13.118 16.521 3.928 248 HA ASP 146 HA ASP 146 12.175 18.861 5.548 249 1HB ASP 146 2HB ASP 146 14.765 17.289 5.693 250 2HB ASP 146 1HB ASP 146 14.550 18.860 6.463 251 HA PRO 147 HA PRO 147 13.673 20.999 1.974 252 1HB PRO 147 2HB PRO 147 13.598 23.531 3.007 253 2HB PRO 147 1HB PRO 147 12.142 22.650 2.503 254 1HG PRO 147 2HG PRO 147 13.252 23.066 5.232 255 2HG PRO 147 1HG PRO 147 11.568 23.064 4.688 256 1HD PRO 147 2HD PRO 147 12.743 20.956 5.961 257 2HD PRO 147 1HD PRO 147 11.394 20.786 4.817 258 H MET 148 H MET 148 15.160 21.217 5.142 259 HA MET 148 HA MET 148 17.440 22.811 4.542 260 1HB MET 148 2HB MET 148 18.379 21.663 6.520 261 2HB MET 148 1HB MET 148 16.688 22.090 6.790 262 1HG MET 148 2HG MET 148 16.144 19.725 5.912 263 2HG MET 148 1HG MET 148 17.856 19.380 6.157 264 1HE MET 148 1HE MET 148 18.218 21.491 8.923 265 2HE MET 148 2HE MET 148 19.080 20.174 8.131 266 3HE MET 148 3HE MET 148 18.532 19.984 9.794 267 H THR 149 H THR 149 16.907 19.295 4.170 268 HA THR 149 HA THR 149 19.549 19.098 2.773 269 HB THR 149 HB THR 149 19.270 17.611 4.664 270 HG1 THR 149 1HG THR 149 19.178 15.553 3.474 271 1HG2 THR 149 1HG2 THR 149 17.146 17.138 5.261 272 2HG2 THR 149 2HG2 THR 149 17.179 15.892 4.013 273 3HG2 THR 149 3HG2 THR 149 16.540 17.493 3.644 274 H GLY 150 H GLY 150 16.129 19.022 2.268 275 1HA GLY 150 2HA GLY 150 14.989 18.956 0.190 276 2HA GLY 150 1HA GLY 150 16.527 18.617 -0.604 277 H THR 151 H THR 151 16.027 16.592 2.061 278 HA THR 151 HA THR 151 14.827 14.451 0.340 279 HB THR 151 HB THR 151 16.999 13.832 2.305 280 HG1 THR 151 1HG THR 151 18.096 15.367 1.306 281 1HG2 THR 151 1HG2 THR 151 15.562 12.410 0.411 282 2HG2 THR 151 2HG2 THR 151 17.074 11.890 1.155 283 3HG2 THR 151 3HG2 THR 151 17.097 12.722 -0.400 284 H PHE 152 H PHE 152 15.106 12.464 2.417 285 HA PHE 152 HA PHE 152 13.084 13.501 4.367 286 1HB PHE 152 2HB PHE 152 13.720 10.720 3.330 287 2HB PHE 152 1HB PHE 152 12.454 11.086 4.503 288 HD1 PHE 152 1HD PHE 152 10.332 11.881 3.803 289 HD2 PHE 152 2HD PHE 152 13.623 11.840 1.043 290 HE1 PHE 152 1HE PHE 152 8.789 12.471 1.953 291 HE2 PHE 152 2HE PHE 152 12.080 12.428 -0.807 292 HZ PHE 152 HZ PHE 152 9.662 12.745 -0.352 293 H ARG 153 H ARG 153 13.749 13.647 6.473 294 HA ARG 153 HA ARG 153 16.329 12.344 7.222 295 1HB ARG 153 2HB ARG 153 14.766 14.760 8.050 296 2HB ARG 153 1HB ARG 153 15.868 14.033 9.222 297 1HG ARG 153 2HG ARG 153 17.605 14.074 7.294 298 2HG ARG 153 1HG ARG 153 16.512 15.228 6.529 299 1HD ARG 153 2HD ARG 153 17.741 16.750 7.745 300 2HD ARG 153 1HD ARG 153 16.641 16.269 9.052 301 HE ARG 153 HE ARG 153 18.710 14.348 8.988 302 1HH1 ARG 153 1HH2 ARG 153 17.766 17.204 10.479 303 2HH1 ARG 153 2HH2 ARG 153 19.318 17.571 11.158 304 1HH2 ARG 153 1HH1 ARG 153 20.956 15.033 9.452 305 2HH2 ARG 153 2HH1 ARG 153 21.125 16.341 10.575 306 H CYS 154 H CYS 154 16.395 10.825 8.828 307 HA CYS 154 HA CYS 154 14.290 9.204 9.612 308 1HB CYS 154 2HB CYS 154 16.831 9.084 9.984 309 2HB CYS 154 1HB CYS 154 16.551 10.057 11.424 310 H THR 155 H THR 155 13.381 9.067 11.967 311 HA THR 155 HA THR 155 12.568 11.821 12.833 312 HB THR 155 HB THR 155 10.779 9.750 13.716 313 HG1 THR 155 1HG THR 155 10.158 9.081 11.575 314 1HG2 THR 155 1HG2 THR 155 10.681 12.109 11.851 315 2HG2 THR 155 2HG2 THR 155 9.921 11.919 13.431 316 3HG2 THR 155 3HG2 THR 155 9.282 11.053 12.035 317 H PHE 156 H PHE 156 14.075 8.862 13.811 318 HA PHE 156 HA PHE 156 13.830 9.669 16.671 319 1HB PHE 156 2HB PHE 156 14.964 7.089 16.427 320 2HB PHE 156 1HB PHE 156 13.370 7.504 17.027 321 HD1 PHE 156 1HD PHE 156 15.278 6.723 13.928 322 HD2 PHE 156 2HD PHE 156 11.416 7.003 15.782 323 HE1 PHE 156 1HE PHE 156 14.247 5.659 11.945 324 HE2 PHE 156 2HE PHE 156 10.385 5.933 13.798 325 HZ PHE 156 HZ PHE 156 11.802 5.258 11.878 326 H CYS 157 H CYS 157 16.133 8.556 14.214 327 HA CYS 157 HA CYS 157 18.328 9.571 15.971 328 1HB CYS 157 2HB CYS 157 19.529 7.736 15.331 329 2HB CYS 157 1HB CYS 157 17.947 7.086 14.928 330 H HIS 158 H HIS 158 16.442 10.770 13.753 331 HA HIS 158 HA HIS 158 16.602 12.313 11.975 332 1HB HIS 158 2HB HIS 158 18.570 12.956 14.128 333 2HB HIS 158 1HB HIS 158 18.549 13.968 12.684 334 HD1 HIS 158 1HD HIS 158 16.487 15.452 12.287 335 HD2 HIS 158 2HD HIS 158 16.142 13.047 15.674 336 HE1 HIS 158 1HE HIS 158 14.448 16.274 13.544 337 H THR 159 H THR 159 18.346 9.802 11.536 338 HA THR 159 HA THR 159 20.669 10.907 10.089 339 HB THR 159 HB THR 159 19.484 8.161 10.536 340 HG1 THR 159 1HG THR 159 20.926 9.584 12.018 341 1HG2 THR 159 1HG2 THR 159 22.094 8.691 9.119 342 2HG2 THR 159 2HG2 THR 159 20.586 8.488 8.229 343 3HG2 THR 159 3HG2 THR 159 21.199 7.176 9.230 344 H GLU 160 H GLU 160 20.891 10.700 7.752 345 HA GLU 160 HA GLU 160 18.545 11.359 6.243 346 1HB GLU 160 2HB GLU 160 21.275 11.455 5.938 347 2HB GLU 160 1HB GLU 160 20.836 10.173 4.808 348 1HG GLU 160 2HG GLU 160 20.435 11.916 3.389 349 2HG GLU 160 1HG GLU 160 18.898 12.000 4.253 350 H VAL 161 H VAL 161 17.010 10.017 5.375 351 HA VAL 161 HA VAL 161 17.455 7.076 5.496 352 HB VAL 161 HB VAL 161 14.996 7.037 5.152 353 1HG1 VAL 161 1HG1 VAL 161 14.406 7.946 7.283 354 2HG1 VAL 161 2HG1 VAL 161 15.697 9.146 7.207 355 3HG1 VAL 161 3HG1 VAL 161 16.089 7.440 7.428 356 1HG2 VAL 161 1HG2 VAL 161 14.556 9.888 5.482 357 2HG2 VAL 161 2HG2 VAL 161 13.905 8.800 4.256 358 3HG2 VAL 161 3HG2 VAL 161 15.475 9.566 4.011 359 H GLU 162 H GLU 162 16.501 5.837 3.558 360 HA GLU 162 HA GLU 162 16.826 7.309 0.979 361 1HB GLU 162 2HB GLU 162 18.276 4.817 1.919 362 2HB GLU 162 1HB GLU 162 18.265 5.356 0.239 363 1HG GLU 162 2HG GLU 162 19.007 7.662 1.346 364 2HG GLU 162 1HG GLU 162 19.591 6.590 2.619 365 H GLU 163 H GLU 163 15.485 6.486 -0.662 366 HA GLU 163 HA GLU 163 13.138 5.081 -0.074 367 1HB GLU 163 2HB GLU 163 14.813 5.335 -2.586 368 2HB GLU 163 1HB GLU 163 13.210 4.597 -2.592 369 1HG GLU 163 2HG GLU 163 12.146 6.595 -2.303 370 2HG GLU 163 1HG GLU 163 13.391 7.213 -1.217 371 H ASP 164 H ASP 164 12.773 2.966 0.476 372 HA ASP 164 HA ASP 164 14.985 1.013 0.275 373 1HB ASP 164 2HB ASP 164 13.641 1.312 2.334 374 2HB ASP 164 1HB ASP 164 12.186 0.865 1.443 375 H GLU 165 H GLU 165 15.151 -0.060 -1.666 376 HA GLU 165 HA GLU 165 12.889 -0.401 -3.472 377 1HB GLU 165 2HB GLU 165 15.611 -1.740 -3.471 378 2HB GLU 165 1HB GLU 165 14.559 -1.476 -4.862 379 1HG GLU 165 2HG GLU 165 14.739 1.039 -4.260 380 2HG GLU 165 1HG GLU 165 16.127 0.557 -3.284 381 H SER 166 H SER 166 13.658 -1.936 -0.629 382 HA SER 166 HA SER 166 12.741 -4.626 -1.553 383 1HB SER 166 2HB SER 166 14.061 -5.435 0.145 384 2HB SER 166 1HB SER 166 14.845 -3.865 -0.010 385 HG SER 166 HG SER 166 13.243 -4.870 1.985 386 H ALA 167 H ALA 167 11.007 -2.167 -1.086 387 HA ALA 167 HA ALA 167 9.097 -3.472 0.807 388 1HB ALA 167 1HB ALA 167 10.278 -0.698 0.865 389 2HB ALA 167 2HB ALA 167 10.118 -1.854 2.187 390 3HB ALA 167 3HB ALA 167 8.695 -1.006 1.580 391 H MET 168 H MET 168 8.320 -3.965 -1.552 392 HA MET 168 HA MET 168 7.150 -1.765 -3.069 393 1HB MET 168 2HB MET 168 7.313 -4.747 -3.162 394 2HB MET 168 1HB MET 168 6.031 -3.977 -4.098 395 1HG MET 168 2HG MET 168 8.164 -4.292 -5.390 396 2HG MET 168 1HG MET 168 7.640 -2.611 -5.291 397 1HE MET 168 1HE MET 168 11.266 -4.639 -3.438 398 2HE MET 168 2HE MET 168 10.254 -5.154 -4.785 399 3HE MET 168 3HE MET 168 9.638 -5.263 -3.138 400 HA PRO 169 HA PRO 169 3.299 -1.545 -0.958 401 1HB PRO 169 2HB PRO 169 1.694 -0.669 -2.996 402 2HB PRO 169 1HB PRO 169 2.884 0.371 -2.188 403 1HG PRO 169 2HG PRO 169 3.067 -1.031 -4.804 404 2HG PRO 169 1HG PRO 169 3.652 0.574 -4.340 405 1HD PRO 169 2HD PRO 169 5.263 -1.622 -4.548 406 2HD PRO 169 1HD PRO 169 5.606 -0.244 -3.479 407 H LYS 170 H LYS 170 3.387 -3.233 -4.085 408 HA LYS 170 HA LYS 170 0.896 -4.596 -3.934 409 1HB LYS 170 2HB LYS 170 3.582 -5.095 -5.203 410 2HB LYS 170 1HB LYS 170 2.295 -6.289 -5.365 411 1HG LYS 170 2HG LYS 170 0.879 -4.783 -6.509 412 2HG LYS 170 1HG LYS 170 1.806 -3.378 -5.981 413 1HD LYS 170 2HD LYS 170 3.400 -5.332 -7.490 414 2HD LYS 170 1HD LYS 170 2.083 -4.622 -8.427 415 1HE LYS 170 2HE LYS 170 3.590 -2.675 -6.784 416 2HE LYS 170 1HE LYS 170 4.519 -3.417 -8.102 417 1HZ LYS 170 1HZ LYS 170 1.779 -2.321 -8.429 418 2HZ LYS 170 2HZ LYS 170 2.822 -2.862 -9.655 419 3HZ LYS 170 3HZ LYS 170 3.186 -1.445 -8.792 420 H LYS 171 H LYS 171 0.225 -6.251 -2.614 421 HA LYS 171 HA LYS 171 2.302 -7.659 -0.968 422 1HB LYS 171 2HB LYS 171 0.549 -7.824 0.718 423 2HB LYS 171 1HB LYS 171 0.649 -6.147 0.175 424 1HG LYS 171 2HG LYS 171 -1.141 -7.105 -1.618 425 2HG LYS 171 1HG LYS 171 -1.510 -8.142 -0.239 426 1HD LYS 171 2HD LYS 171 -2.890 -6.138 -0.110 427 2HD LYS 171 1HD LYS 171 -1.699 -6.099 1.190 428 1HE LYS 171 2HE LYS 171 -0.424 -4.422 0.148 429 2HE LYS 171 1HE LYS 171 -1.088 -4.785 -1.458 430 1HZ LYS 171 1HZ LYS 171 -2.918 -3.575 -1.067 431 2HZ LYS 171 2HZ LYS 171 -2.016 -2.843 0.172 432 3HZ LYS 171 3HZ LYS 171 -3.074 -4.122 0.531 433 H ASP 172 H ASP 172 0.473 -9.664 -0.039 434 HA ASP 172 HA ASP 172 0.368 -11.382 -2.465 435 1HB ASP 172 2HB ASP 172 0.956 -11.655 0.341 436 2HB ASP 172 1HB ASP 172 -0.353 -12.758 -0.084 437 H ALA 173 H ALA 173 -1.730 -10.197 0.164 438 HA ALA 173 HA ALA 173 -4.091 -10.443 -1.563 439 1HB ALA 173 1HB ALA 173 -3.239 -12.635 -0.032 440 2HB ALA 173 2HB ALA 173 -4.821 -12.438 -0.784 441 3HB ALA 173 3HB ALA 173 -4.571 -11.937 0.889 442 H ARG 174 H ARG 174 -5.769 -9.118 -0.797 443 HA ARG 174 HA ARG 174 -5.117 -7.434 1.569 444 1HB ARG 174 2HB ARG 174 -6.067 -6.964 -1.003 445 2HB ARG 174 1HB ARG 174 -7.511 -6.813 -0.003 446 1HG ARG 174 2HG ARG 174 -5.585 -5.471 1.473 447 2HG ARG 174 1HG ARG 174 -5.190 -5.039 -0.191 448 1HD ARG 174 2HD ARG 174 -6.889 -3.541 -0.133 449 2HD ARG 174 1HD ARG 174 -8.020 -4.902 0.015 450 HE ARG 174 HE ARG 174 -6.651 -4.062 2.499 451 1HH1 ARG 174 1HH2 ARG 174 -9.174 -3.047 0.491 452 2HH1 ARG 174 2HH2 ARG 174 -10.378 -3.023 1.737 453 1HH2 ARG 174 1HH1 ARG 174 -8.315 -4.465 4.123 454 2HH2 ARG 174 2HH1 ARG 174 -9.891 -3.827 3.794
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