NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
633608 | 5z36 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1HT MET 1 6.347 -11.579 8.561 2 H2 MET 1 2HT MET 1 5.718 -13.151 8.429 3 H3 MET 1 3HT MET 1 6.258 -12.572 9.932 4 HA MET 1 HA MET 1 4.279 -10.856 8.810 5 HB2 MET 1 2HB MET 1 3.438 -12.896 7.773 6 HB3 MET 1 1HB MET 1 3.590 -13.771 9.297 7 HG2 MET 1 2HG MET 1 1.656 -12.913 10.117 8 HG3 MET 1 1HG MET 1 2.007 -11.298 9.502 9 HE1 MET 1 1HE MET 1 1.230 -14.937 8.380 10 HE2 MET 1 2HE MET 1 -0.325 -14.702 7.589 11 HE3 MET 1 3HE MET 1 -0.143 -14.298 9.294 12 HA PRO 2 HA PRO 2 5.098 -11.556 13.470 13 HB2 PRO 2 2HB PRO 2 6.383 -9.150 13.906 14 HB3 PRO 2 1HB PRO 2 7.203 -10.697 13.632 15 HG2 PRO 2 2HG PRO 2 6.722 -8.448 11.758 16 HG3 PRO 2 1HG PRO 2 8.107 -9.545 11.877 17 HD2 PRO 2 2HD PRO 2 6.177 -9.785 9.950 18 HD3 PRO 2 1HD PRO 2 7.109 -11.167 10.575 19 H GLU 3 H GLU 3 3.880 -10.521 15.094 20 HA GLU 3 HA GLU 3 1.601 -9.003 14.242 21 HB2 GLU 3 2HB GLU 3 2.791 -9.427 17.001 22 HB3 GLU 3 1HB GLU 3 1.216 -8.697 16.696 23 HG2 GLU 3 2HG GLU 3 0.510 -10.764 15.507 24 HG3 GLU 3 1HG GLU 3 2.067 -11.496 15.903 25 H GLU 4 H GLU 4 4.774 -8.141 15.436 26 HA GLU 4 HA GLU 4 4.028 -5.281 15.632 27 HB2 GLU 4 2HB GLU 4 5.488 -6.375 17.361 28 HB3 GLU 4 1HB GLU 4 6.706 -6.593 16.108 29 HG2 GLU 4 2HG GLU 4 6.711 -4.136 15.719 30 HG3 GLU 4 1HG GLU 4 5.565 -3.951 17.049 31 H ILE 5 H ILE 5 4.852 -3.723 14.199 32 HA ILE 5 HA ILE 5 6.252 -4.827 11.798 33 HB ILE 5 HB ILE 5 4.932 -2.253 11.430 34 HG12 ILE 5 2HG1 ILE 5 3.367 -3.270 13.070 35 HG13 ILE 5 1HG1 ILE 5 2.655 -3.051 11.477 36 HG21 ILE 5 1HG2 ILE 5 4.018 -3.466 9.469 37 HG22 ILE 5 2HG2 ILE 5 4.784 -4.934 10.070 38 HG23 ILE 5 3HG2 ILE 5 5.775 -3.558 9.586 39 HD11 ILE 5 1HD1 ILE 5 4.025 -5.621 11.838 40 HD12 ILE 5 2HD1 ILE 5 2.451 -5.266 11.127 41 HD13 ILE 5 3HD1 ILE 5 2.620 -5.399 12.878 42 HA PRO 6 HA PRO 6 9.152 -1.741 13.558 43 HB2 PRO 6 2HB PRO 6 11.443 -3.122 12.928 44 HB3 PRO 6 1HB PRO 6 10.528 -3.368 14.427 45 HG2 PRO 6 2HG PRO 6 10.695 -5.059 12.025 46 HG3 PRO 6 1HG PRO 6 10.342 -5.501 13.701 47 HD2 PRO 6 2HD PRO 6 8.461 -5.235 11.615 48 HD3 PRO 6 1HD PRO 6 8.094 -5.381 13.347 49 H ASP 7 H ASP 7 11.007 -0.564 12.374 50 HA ASP 7 HA ASP 7 10.145 0.148 9.748 51 HB2 ASP 7 2HB ASP 7 12.280 1.433 9.651 52 HB3 ASP 7 1HB ASP 7 11.378 1.724 11.138 53 H VAL 8 H VAL 8 10.551 -0.800 7.832 54 HA VAL 8 HA VAL 8 12.988 -2.487 7.532 55 HB VAL 8 HB VAL 8 11.028 -3.966 8.023 56 HG11 VAL 8 1HG1 VAL 8 9.046 -3.753 6.944 57 HG12 VAL 8 2HG1 VAL 8 9.826 -3.529 5.377 58 HG13 VAL 8 3HG1 VAL 8 9.638 -2.160 6.473 59 HG21 VAL 8 1HG2 VAL 8 12.111 -5.444 6.713 60 HG22 VAL 8 2HG2 VAL 8 12.872 -4.107 5.851 61 HG23 VAL 8 3HG2 VAL 8 11.335 -4.761 5.284 62 H ARG 9 H ARG 9 13.926 -2.293 5.486 63 HA ARG 9 HA ARG 9 12.445 -0.602 3.506 64 HB2 ARG 9 2HB ARG 9 14.229 0.699 4.589 65 HB3 ARG 9 1HB ARG 9 15.403 -0.546 4.161 66 HG2 ARG 9 2HG ARG 9 14.950 -0.157 1.765 67 HG3 ARG 9 1HG ARG 9 13.779 1.089 2.191 68 HD2 ARG 9 2HD ARG 9 15.619 2.307 3.400 69 HD3 ARG 9 1HD ARG 9 16.755 1.120 2.760 70 HE ARG 9 HE ARG 9 15.170 2.333 0.655 71 HH11 ARG 9 1HH1 ARG 9 16.250 3.770 -0.711 72 HH12 ARG 9 2HH1 ARG 9 17.790 4.406 -0.236 73 HH21 ARG 9 1HH2 ARG 9 17.858 2.700 2.784 74 HH22 ARG 9 2HH2 ARG 9 18.702 3.799 1.744 75 H LYS 10 H LYS 10 12.156 -1.636 1.612 76 HA LYS 10 HA LYS 10 14.256 -3.516 0.670 77 HB2 LYS 10 2HB LYS 10 11.295 -4.162 0.779 78 HB3 LYS 10 1HB LYS 10 12.519 -5.151 -0.015 79 HG2 LYS 10 2HG LYS 10 13.710 -5.362 2.167 80 HG3 LYS 10 1HG LYS 10 12.396 -4.472 2.938 81 HD2 LYS 10 2HD LYS 10 10.797 -6.211 2.109 82 HD3 LYS 10 1HD LYS 10 12.171 -7.128 1.492 83 HE2 LYS 10 2HE LYS 10 12.636 -6.356 4.241 84 HE3 LYS 10 1HE LYS 10 11.106 -7.222 4.098 85 HZ1 LYS 10 1HZ LYS 10 13.046 -8.484 2.498 86 HZ2 LYS 10 2HZ LYS 10 12.207 -9.105 3.840 87 HZ3 LYS 10 3HZ LYS 10 13.677 -8.283 4.060 88 H SER 11 H SER 11 14.154 -3.834 -1.681 89 HA SER 11 HA SER 11 12.281 -2.139 -3.186 90 HB2 SER 11 2HB SER 11 13.953 -0.755 -4.201 91 HB3 SER 11 1HB SER 11 14.161 -0.641 -2.451 92 HG SER 11 HG SER 11 15.769 -2.325 -2.702 93 H VAL 12 H VAL 12 12.240 -2.660 -5.416 94 HA VAL 12 HA VAL 12 14.101 -4.671 -6.462 95 HB VAL 12 HB VAL 12 11.216 -5.293 -5.892 96 HG11 VAL 12 1HG1 VAL 12 11.438 -6.032 -8.120 97 HG12 VAL 12 2HG1 VAL 12 11.844 -7.466 -7.177 98 HG13 VAL 12 3HG1 VAL 12 13.126 -6.487 -7.891 99 HG21 VAL 12 1HG2 VAL 12 12.618 -5.949 -4.081 100 HG22 VAL 12 2HG2 VAL 12 13.884 -6.515 -5.172 101 HG23 VAL 12 3HG2 VAL 12 12.381 -7.422 -5.021 102 H VAL 13 H VAL 13 13.789 -5.008 -8.767 103 HA VAL 13 HA VAL 13 12.399 -2.697 -10.008 104 HB VAL 13 HB VAL 13 14.394 -4.611 -11.249 105 HG11 VAL 13 1HG1 VAL 13 14.590 -2.562 -12.824 106 HG12 VAL 13 2HG1 VAL 13 13.054 -2.051 -12.124 107 HG13 VAL 13 3HG1 VAL 13 13.161 -3.583 -12.989 108 HG21 VAL 13 1HG2 VAL 13 15.270 -1.871 -10.784 109 HG22 VAL 13 2HG2 VAL 13 16.058 -3.383 -10.337 110 HG23 VAL 13 3HG2 VAL 13 14.839 -2.677 -9.275 111 H VAL 14 H VAL 14 10.664 -3.012 -11.312 112 HA VAL 14 HA VAL 14 9.932 -5.831 -11.991 113 HB VAL 14 HB VAL 14 8.445 -5.120 -10.228 114 HG11 VAL 14 1HG1 VAL 14 7.030 -2.985 -10.758 115 HG12 VAL 14 2HG1 VAL 14 8.360 -2.579 -11.842 116 HG13 VAL 14 3HG1 VAL 14 8.660 -2.784 -10.115 117 HG21 VAL 14 1HG2 VAL 14 6.977 -4.615 -12.835 118 HG22 VAL 14 2HG2 VAL 14 6.310 -5.268 -11.342 119 HG23 VAL 14 3HG2 VAL 14 7.447 -6.226 -12.291 120 H ALA 15 H ALA 15 8.601 -6.017 -13.957 121 HA ALA 15 HA ALA 15 9.502 -4.189 -16.027 122 HB1 ALA 15 1HB ALA 15 8.336 -5.608 -17.557 123 HB2 ALA 15 2HB ALA 15 7.278 -6.222 -16.287 124 HB3 ALA 15 3HB ALA 15 8.979 -6.688 -16.319 125 H ALA 16 H ALA 16 8.649 -2.115 -15.549 126 HA ALA 16 HA ALA 16 5.910 -1.633 -16.322 127 HB1 ALA 16 1HB ALA 16 4.859 -1.240 -14.265 128 HB2 ALA 16 2HB ALA 16 6.391 -1.067 -13.405 129 HB3 ALA 16 3HB ALA 16 5.835 -2.663 -13.904 130 H SER 17 H SER 17 5.380 0.702 -16.068 131 HA SER 17 HA SER 17 7.860 2.343 -16.040 132 HB2 SER 17 2HB SER 17 5.092 2.989 -17.105 133 HB3 SER 17 1HB SER 17 6.499 4.042 -17.217 134 HG SER 17 HG SER 17 5.796 1.884 -18.724 135 H VAL 18 H VAL 18 7.881 4.258 -14.681 136 HA VAL 18 HA VAL 18 6.685 3.943 -12.156 137 HB VAL 18 HB VAL 18 7.385 6.228 -11.706 138 HG11 VAL 18 1HG1 VAL 18 9.637 5.766 -11.929 139 HG12 VAL 18 2HG1 VAL 18 9.471 5.306 -13.618 140 HG13 VAL 18 3HG1 VAL 18 8.994 4.180 -12.352 141 HG21 VAL 18 1HG2 VAL 18 8.508 7.298 -13.912 142 HG22 VAL 18 2HG2 VAL 18 6.843 7.639 -13.444 143 HG23 VAL 18 3HG2 VAL 18 7.184 6.419 -14.671 144 H GLU 19 H GLU 19 5.541 5.847 -14.945 145 HA GLU 19 HA GLU 19 3.237 6.919 -13.622 146 HB2 GLU 19 2HB GLU 19 4.097 7.696 -15.855 147 HB3 GLU 19 1HB GLU 19 3.482 6.198 -16.550 148 HG2 GLU 19 2HG GLU 19 1.207 6.777 -15.717 149 HG3 GLU 19 1HG GLU 19 1.841 8.314 -15.130 150 H HIS 20 H HIS 20 3.875 3.909 -15.349 151 HA HIS 20 HA HIS 20 1.191 2.892 -15.295 152 HB2 HIS 20 2HB HIS 20 2.745 1.835 -16.781 153 HB3 HIS 20 1HB HIS 20 3.879 1.518 -15.466 154 HD1 HIS 20 1HD HIS 20 0.951 0.115 -17.190 155 HD2 HIS 20 2HD HIS 20 2.842 -0.458 -13.507 156 HE1 HIS 20 1HE HIS 20 0.050 -2.049 -16.240 157 HE2 HIS 20 2HE HIS 20 1.213 -2.424 -14.027 158 H CYS 21 H CYS 21 3.959 2.500 -13.122 159 HA CYS 21 HA CYS 21 2.945 0.617 -11.325 160 HB2 CYS 21 2HB CYS 21 4.577 3.108 -10.751 161 HB3 CYS 21 1HB CYS 21 4.381 1.761 -9.635 162 HG CYS 21 HG CYS 21 5.642 0.221 -11.336 163 H PHE 22 H PHE 22 2.390 4.118 -11.413 164 HA PHE 22 HA PHE 22 0.588 3.933 -9.122 165 HB2 PHE 22 2HB PHE 22 1.898 6.074 -10.580 166 HB3 PHE 22 1HB PHE 22 0.202 6.444 -10.238 167 HD1 PHE 22 1HD PHE 22 -0.498 6.995 -8.048 168 HD2 PHE 22 2HD PHE 22 3.332 5.162 -8.678 169 HE1 PHE 22 1HE PHE 22 0.034 7.284 -5.645 170 HE2 PHE 22 2HE PHE 22 3.867 5.458 -6.281 171 HZ PHE 22 HZ PHE 22 2.221 6.508 -4.769 172 H GLU 23 H GLU 23 0.302 3.985 -12.610 173 HA GLU 23 HA GLU 23 -2.460 4.664 -12.766 174 HB2 GLU 23 2HB GLU 23 -1.016 4.447 -14.766 175 HB3 GLU 23 1HB GLU 23 -0.909 2.712 -14.478 176 HG2 GLU 23 2HG GLU 23 -3.366 2.528 -14.692 177 HG3 GLU 23 1HG GLU 23 -3.452 4.257 -15.040 178 H VAL 24 H VAL 24 -0.780 1.615 -12.157 179 HA VAL 24 HA VAL 24 -3.106 -0.047 -12.097 180 HB VAL 24 HB VAL 24 -0.469 -0.336 -10.627 181 HG11 VAL 24 1HG1 VAL 24 -2.836 -2.115 -11.049 182 HG12 VAL 24 2HG1 VAL 24 -1.822 -1.918 -9.619 183 HG13 VAL 24 3HG1 VAL 24 -1.228 -2.838 -11.002 184 HG21 VAL 24 1HG2 VAL 24 0.452 -0.977 -12.582 185 HG22 VAL 24 2HG2 VAL 24 -0.965 -0.289 -13.374 186 HG23 VAL 24 3HG2 VAL 24 -0.924 -2.008 -12.975 187 H PHE 25 H PHE 25 -1.319 1.713 -9.578 188 HA PHE 25 HA PHE 25 -2.858 0.842 -7.348 189 HB2 PHE 25 2HB PHE 25 -1.207 3.297 -7.908 190 HB3 PHE 25 1HB PHE 25 -2.053 3.100 -6.381 191 HD1 PHE 25 1HD PHE 25 -0.859 0.044 -8.048 192 HD2 PHE 25 2HD PHE 25 0.153 3.154 -5.252 193 HE1 PHE 25 1HE PHE 25 0.980 -1.331 -7.185 194 HE2 PHE 25 2HE PHE 25 2.000 1.761 -4.393 195 HZ PHE 25 HZ PHE 25 2.412 -0.485 -5.360 196 H THR 26 H THR 26 -3.271 3.629 -9.510 197 HA THR 26 HA THR 26 -5.737 4.335 -8.071 198 HB THR 26 HB THR 26 -5.785 6.238 -9.739 199 HG1 THR 26 1HG THR 26 -4.266 4.846 -11.111 200 HG21 THR 26 1HG2 THR 26 -4.838 7.183 -7.916 201 HG22 THR 26 2HG2 THR 26 -3.280 6.894 -8.698 202 HG23 THR 26 3HG2 THR 26 -3.924 5.715 -7.555 203 H SER 27 H SER 27 -4.968 2.178 -10.497 204 HA SER 27 HA SER 27 -7.493 2.640 -11.979 205 HB2 SER 27 2HB SER 27 -5.152 0.818 -12.488 206 HB3 SER 27 1HB SER 27 -6.616 0.795 -13.449 207 HG SER 27 HG SER 27 -6.220 3.122 -13.718 208 H ARG 28 H ARG 28 -5.834 -0.296 -10.680 209 HA ARG 28 HA ARG 28 -8.366 -1.110 -9.415 210 HB2 ARG 28 2HB ARG 28 -8.091 -3.401 -10.675 211 HB3 ARG 28 1HB ARG 28 -8.943 -2.066 -11.442 212 HG2 ARG 28 2HG ARG 28 -7.406 -2.985 -13.061 213 HG3 ARG 28 1HG ARG 28 -6.771 -1.424 -12.567 214 HD2 ARG 28 2HD ARG 28 -5.171 -2.484 -11.090 215 HD3 ARG 28 1HD ARG 28 -5.897 -4.067 -11.365 216 HE ARG 28 HE ARG 28 -4.024 -2.720 -13.134 217 HH11 ARG 28 1HH1 ARG 28 -3.505 -3.827 -15.036 218 HH12 ARG 28 2HH1 ARG 28 -4.504 -5.141 -15.557 219 HH21 ARG 28 1HH2 ARG 28 -6.696 -4.885 -12.883 220 HH22 ARG 28 2HH2 ARG 28 -6.312 -5.740 -14.339 221 HA PRO 29 HA PRO 29 -4.311 -2.597 -7.459 222 HB2 PRO 29 2HB PRO 29 -4.923 -1.629 -4.944 223 HB3 PRO 29 1HB PRO 29 -3.944 -0.766 -6.145 224 HG2 PRO 29 2HG PRO 29 -6.822 -0.446 -5.465 225 HG3 PRO 29 1HG PRO 29 -5.603 0.777 -5.846 226 HD2 PRO 29 2HD PRO 29 -7.442 0.006 -7.672 227 HD3 PRO 29 1HD PRO 29 -5.789 0.446 -8.152 228 H ALA 30 H ALA 30 -7.698 -2.726 -6.488 229 HA ALA 30 HA ALA 30 -7.248 -4.939 -4.633 230 HB1 ALA 30 1HB ALA 30 -9.374 -4.570 -3.956 231 HB2 ALA 30 2HB ALA 30 -9.989 -4.470 -5.604 232 HB3 ALA 30 3HB ALA 30 -9.215 -3.071 -4.862 233 H ASP 31 H ASP 31 -8.348 -4.572 -7.953 234 HA ASP 31 HA ASP 31 -9.446 -7.117 -8.401 235 HB2 ASP 31 2HB ASP 31 -9.383 -5.195 -10.028 236 HB3 ASP 31 1HB ASP 31 -7.707 -5.624 -10.373 237 H TRP 32 H TRP 32 -5.993 -6.249 -8.206 238 HA TRP 32 HA TRP 32 -5.303 -9.022 -9.029 239 HB2 TRP 32 2HB TRP 32 -3.414 -8.130 -9.857 240 HB3 TRP 32 1HB TRP 32 -4.007 -6.531 -9.393 241 HD1 TRP 32 HD TRP 32 -1.749 -9.361 -8.187 242 HE1 TRP 32 1HE TRP 32 -0.308 -8.513 -6.229 243 HE3 TRP 32 3HE TRP 32 -3.822 -4.783 -7.531 244 HZ2 TRP 32 2HZ TRP 32 -0.083 -6.177 -4.597 245 HZ3 TRP 32 3HZ TRP 32 -2.981 -3.245 -5.763 246 HH2 TRP 32 HH TRP 32 -1.107 -3.939 -4.302 247 H TRP 33 H TRP 33 -5.778 -7.282 -6.096 248 HA TRP 33 HA TRP 33 -3.775 -8.270 -4.423 249 HB2 TRP 33 2HB TRP 33 -6.184 -6.977 -3.981 250 HB3 TRP 33 1HB TRP 33 -6.405 -8.521 -3.155 251 HD1 TRP 33 HD TRP 33 -3.516 -9.091 -2.175 252 HE1 TRP 33 1HE TRP 33 -2.441 -7.649 -0.327 253 HE3 TRP 33 3HE TRP 33 -6.390 -4.886 -2.546 254 HZ2 TRP 33 2HZ TRP 33 -2.761 -5.057 0.838 255 HZ3 TRP 33 3HZ TRP 33 -5.984 -2.949 -1.059 256 HH2 TRP 33 HH TRP 33 -4.175 -3.029 0.632 257 HA PRO 34 HA PRO 34 -5.855 -12.503 -4.187 258 HB2 PRO 34 2HB PRO 34 -8.322 -12.888 -5.173 259 HB3 PRO 34 1HB PRO 34 -8.066 -11.965 -3.679 260 HG2 PRO 34 2HG PRO 34 -8.843 -11.018 -6.353 261 HG3 PRO 34 1HG PRO 34 -9.095 -10.269 -4.770 262 HD2 PRO 34 2HD PRO 34 -6.992 -9.707 -6.703 263 HD3 PRO 34 1HD PRO 34 -7.324 -8.887 -5.163 264 HA PRO 35 HA PRO 35 -4.820 -13.452 -8.584 265 HB2 PRO 35 2HB PRO 35 -2.769 -15.151 -8.102 266 HB3 PRO 35 1HB PRO 35 -2.570 -13.390 -8.028 267 HG2 PRO 35 2HG PRO 35 -2.812 -15.361 -5.825 268 HG3 PRO 35 1HG PRO 35 -1.863 -13.870 -5.912 269 HD2 PRO 35 2HD PRO 35 -4.326 -14.141 -4.607 270 HD3 PRO 35 1HD PRO 35 -3.575 -12.604 -5.085 271 H SER 36 H SER 36 -4.366 -16.099 -6.221 272 HA SER 36 HA SER 36 -6.680 -17.581 -6.788 273 HB2 SER 36 2HB SER 36 -6.342 -18.318 -8.898 274 HB3 SER 36 1HB SER 36 -4.695 -17.693 -8.920 275 HG SER 36 HG SER 36 -5.556 -20.214 -8.604 276 H HIS 37 H HIS 37 -3.173 -18.320 -6.712 277 HA HIS 37 HA HIS 37 -3.362 -20.602 -5.051 278 HB2 HIS 37 2HB HIS 37 -1.136 -18.547 -5.217 279 HB3 HIS 37 1HB HIS 37 -0.985 -20.143 -4.481 280 HD1 HIS 37 1HD HIS 37 -0.807 -18.404 -7.707 281 HD2 HIS 37 2HD HIS 37 -1.416 -22.331 -6.436 282 HE1 HIS 37 1HE HIS 37 -0.436 -19.879 -9.735 283 HE2 HIS 37 2HE HIS 37 -0.806 -22.271 -8.972 284 H VAL 38 H VAL 38 -3.199 -17.159 -4.219 285 HA VAL 38 HA VAL 38 -3.590 -17.906 -1.349 286 HB VAL 38 HB VAL 38 -2.597 -15.297 -2.541 287 HG11 VAL 38 1HG1 VAL 38 -1.902 -15.157 0.031 288 HG12 VAL 38 2HG1 VAL 38 -3.300 -16.218 0.217 289 HG13 VAL 38 3HG1 VAL 38 -3.492 -14.625 -0.516 290 HG21 VAL 38 1HG2 VAL 38 -0.787 -16.746 -2.805 291 HG22 VAL 38 2HG2 VAL 38 -1.250 -17.737 -1.421 292 HG23 VAL 38 3HG2 VAL 38 -0.507 -16.157 -1.166 293 H LEU 39 H LEU 39 -5.488 -17.326 -0.387 294 HA LEU 39 HA LEU 39 -7.425 -15.772 -2.040 295 HB2 LEU 39 2HB LEU 39 -8.017 -17.485 0.391 296 HB3 LEU 39 1HB LEU 39 -9.171 -16.847 -0.778 297 HG LEU 39 HG LEU 39 -8.821 -19.148 -1.359 298 HD11 LEU 39 1HD1 LEU 39 -8.168 -18.927 -3.613 299 HD12 LEU 39 2HD1 LEU 39 -6.967 -17.692 -3.238 300 HD13 LEU 39 3HD1 LEU 39 -8.686 -17.299 -3.176 301 HD21 LEU 39 1HD2 LEU 39 -6.339 -18.860 -0.189 302 HD22 LEU 39 2HD2 LEU 39 -5.927 -18.955 -1.900 303 HD23 LEU 39 3HD2 LEU 39 -6.843 -20.255 -1.141 304 H VAL 40 H VAL 40 -8.733 -14.141 -0.966 305 HA VAL 40 HA VAL 40 -7.276 -12.854 1.289 306 HB VAL 40 HB VAL 40 -7.702 -11.456 -0.721 307 HG11 VAL 40 1HG1 VAL 40 -10.023 -10.859 -1.299 308 HG12 VAL 40 2HG1 VAL 40 -10.620 -11.966 -0.063 309 HG13 VAL 40 3HG1 VAL 40 -9.762 -12.596 -1.468 310 HG21 VAL 40 1HG2 VAL 40 -8.742 -9.566 0.440 311 HG22 VAL 40 2HG2 VAL 40 -7.667 -10.425 1.542 312 HG23 VAL 40 3HG2 VAL 40 -9.409 -10.656 1.653 313 H LYS 41 H LYS 41 -8.307 -12.536 3.280 314 HA LYS 41 HA LYS 41 -10.458 -14.265 3.986 315 HB2 LYS 41 2HB LYS 41 -9.432 -11.777 5.364 316 HB3 LYS 41 1HB LYS 41 -10.553 -12.926 6.093 317 HG2 LYS 41 2HG LYS 41 -8.871 -14.732 5.756 318 HG3 LYS 41 1HG LYS 41 -7.745 -13.534 5.123 319 HD2 LYS 41 2HD LYS 41 -7.228 -13.875 7.463 320 HD3 LYS 41 1HD LYS 41 -7.959 -12.279 7.291 321 HE2 LYS 41 2HE LYS 41 -9.921 -12.911 8.337 322 HE3 LYS 41 1HE LYS 41 -9.773 -14.595 7.833 323 HZ1 LYS 41 1HZ LYS 41 -8.422 -15.096 9.562 324 HZ2 LYS 41 2HZ LYS 41 -9.282 -13.824 10.291 325 HZ3 LYS 41 3HZ LYS 41 -7.736 -13.547 9.642 326 H LYS 42 H LYS 42 -10.399 -10.855 3.049 327 HA LYS 42 HA LYS 42 -13.391 -10.907 2.996 328 HB2 LYS 42 2HB LYS 42 -13.367 -8.513 3.334 329 HB3 LYS 42 1HB LYS 42 -12.342 -9.239 4.572 330 HG2 LYS 42 2HG LYS 42 -10.352 -8.777 3.122 331 HG3 LYS 42 1HG LYS 42 -11.416 -7.925 2.000 332 HD2 LYS 42 2HD LYS 42 -12.144 -6.506 4.005 333 HD3 LYS 42 1HD LYS 42 -10.763 -7.196 4.859 334 HE2 LYS 42 2HE LYS 42 -9.342 -6.442 2.866 335 HE3 LYS 42 1HE LYS 42 -10.741 -5.490 2.365 336 HZ1 LYS 42 1HZ LYS 42 -9.650 -3.989 3.669 337 HZ2 LYS 42 2HZ LYS 42 -9.017 -5.169 4.715 338 HZ3 LYS 42 3HZ LYS 42 -10.647 -4.707 4.838 339 H GLU 43 H GLU 43 -14.384 -10.317 1.062 340 HA GLU 43 HA GLU 43 -12.645 -10.332 -1.308 341 HB2 GLU 43 2HB GLU 43 -14.767 -11.651 -1.199 342 HB3 GLU 43 1HB GLU 43 -15.655 -10.130 -1.141 343 HG2 GLU 43 2HG GLU 43 -14.596 -9.472 -3.305 344 HG3 GLU 43 1HG GLU 43 -13.841 -11.064 -3.380 345 H ARG 44 H ARG 44 -11.965 -8.488 -2.290 346 HA ARG 44 HA ARG 44 -12.773 -5.886 -1.366 347 HB2 ARG 44 2HB ARG 44 -11.735 -5.663 -4.017 348 HB3 ARG 44 1HB ARG 44 -10.923 -5.297 -2.497 349 HG2 ARG 44 2HG ARG 44 -9.579 -6.930 -3.642 350 HG3 ARG 44 1HG ARG 44 -10.371 -7.765 -2.309 351 HD2 ARG 44 2HD ARG 44 -11.286 -9.206 -3.783 352 HD3 ARG 44 1HD ARG 44 -12.138 -7.862 -4.545 353 HE ARG 44 HE ARG 44 -9.440 -7.896 -5.486 354 HH11 ARG 44 1HH1 ARG 44 -9.032 -8.766 -7.533 355 HH12 ARG 44 2HH1 ARG 44 -10.197 -9.823 -8.259 356 HH21 ARG 44 1HH2 ARG 44 -12.408 -9.645 -5.591 357 HH22 ARG 44 2HH2 ARG 44 -12.110 -10.319 -7.159 358 H ALA 45 H ALA 45 -14.269 -4.451 -2.274 359 HA ALA 45 HA ALA 45 -16.111 -5.669 -4.300 360 HB1 ALA 45 1HB ALA 45 -16.541 -4.162 -1.783 361 HB2 ALA 45 2HB ALA 45 -17.538 -5.409 -2.534 362 HB3 ALA 45 3HB ALA 45 -17.613 -3.747 -3.120 363 H GLY 46 H GLY 46 -14.866 -2.520 -3.146 364 HA2 GLY 46 2HA GLY 46 -14.774 -1.612 -5.962 365 HA3 GLY 46 1HA GLY 46 -15.798 -0.687 -4.867 366 H LEU 47 H LEU 47 -13.778 0.707 -5.986 367 HA LEU 47 HA LEU 47 -12.077 1.281 -3.661 368 HB2 LEU 47 2HB LEU 47 -10.295 1.314 -5.888 369 HB3 LEU 47 1HB LEU 47 -10.195 0.323 -4.434 370 HG LEU 47 HG LEU 47 -11.611 -1.393 -5.482 371 HD11 LEU 47 1HD1 LEU 47 -13.012 -0.772 -7.144 372 HD12 LEU 47 2HD1 LEU 47 -11.607 -0.619 -8.197 373 HD13 LEU 47 3HD1 LEU 47 -12.195 0.782 -7.305 374 HD21 LEU 47 1HD2 LEU 47 -9.043 -1.075 -5.943 375 HD22 LEU 47 2HD2 LEU 47 -9.591 -0.699 -7.574 376 HD23 LEU 47 3HD2 LEU 47 -9.957 -2.268 -6.866 377 H ALA 48 H ALA 48 -11.789 3.463 -3.507 378 HA ALA 48 HA ALA 48 -12.444 5.105 -5.919 379 HB1 ALA 48 1HB ALA 48 -12.293 6.395 -3.246 380 HB2 ALA 48 2HB ALA 48 -13.619 5.255 -3.473 381 HB3 ALA 48 3HB ALA 48 -13.454 6.645 -4.548 382 H PHE 49 H PHE 49 -10.824 6.431 -6.733 383 HA PHE 49 HA PHE 49 -8.379 6.802 -5.059 384 HB2 PHE 49 2HB PHE 49 -8.682 5.302 -7.576 385 HB3 PHE 49 1HB PHE 49 -7.345 6.450 -7.560 386 HD1 PHE 49 1HD PHE 49 -8.718 3.383 -6.102 387 HD2 PHE 49 2HD PHE 49 -5.507 6.226 -5.959 388 HE1 PHE 49 1HE PHE 49 -7.357 1.779 -4.802 389 HE2 PHE 49 2HE PHE 49 -4.140 4.625 -4.653 390 HZ PHE 49 HZ PHE 49 -5.056 2.399 -4.079 391 H GLU 50 H GLU 50 -7.802 8.927 -5.072 392 HA GLU 50 HA GLU 50 -8.260 10.454 -7.589 393 HB2 GLU 50 2HB GLU 50 -8.482 12.241 -5.374 394 HB3 GLU 50 1HB GLU 50 -9.673 11.889 -6.612 395 HG2 GLU 50 2HG GLU 50 -9.240 10.153 -4.165 396 HG3 GLU 50 1HG GLU 50 -10.473 11.408 -4.274 397 HA PRO 51 HA PRO 51 -3.957 11.461 -6.759 398 HB2 PRO 51 2HB PRO 51 -3.481 13.195 -8.740 399 HB3 PRO 51 1HB PRO 51 -3.880 11.499 -9.091 400 HG2 PRO 51 2HG PRO 51 -5.636 13.911 -9.194 401 HG3 PRO 51 1HG PRO 51 -5.505 12.566 -10.340 402 HD2 PRO 51 2HD PRO 51 -7.475 12.748 -8.405 403 HD3 PRO 51 1HD PRO 51 -6.917 11.225 -9.133 404 H PHE 52 H PHE 52 -2.757 12.996 -5.579 405 HA PHE 52 HA PHE 52 -2.826 15.733 -5.556 406 HB2 PHE 52 2HB PHE 52 -4.370 16.106 -3.455 407 HB3 PHE 52 1HB PHE 52 -5.063 16.101 -5.068 408 HD1 PHE 52 1HD PHE 52 -7.256 15.575 -3.974 409 HD2 PHE 52 2HD PHE 52 -3.931 12.859 -3.752 410 HE1 PHE 52 1HE PHE 52 -8.781 13.733 -3.319 411 HE2 PHE 52 2HE PHE 52 -5.463 11.029 -3.124 412 HZ PHE 52 HZ PHE 52 -7.870 11.454 -2.908 413 H VAL 53 H VAL 53 -2.232 16.736 -3.346 414 HA VAL 53 HA VAL 53 -0.264 14.954 -2.061 415 HB VAL 53 HB VAL 53 0.754 17.018 -2.258 416 HG11 VAL 53 1HG1 VAL 53 -0.953 18.204 -3.409 417 HG12 VAL 53 2HG1 VAL 53 -0.621 19.174 -1.974 418 HG13 VAL 53 3HG1 VAL 53 -2.044 18.134 -2.023 419 HG21 VAL 53 1HG2 VAL 53 -0.864 17.696 0.204 420 HG22 VAL 53 2HG2 VAL 53 0.817 18.099 -0.143 421 HG23 VAL 53 3HG2 VAL 53 0.370 16.435 0.226 422 H GLY 54 H GLY 54 -0.475 14.268 0.145 423 HA2 GLY 54 2HA GLY 54 -1.692 13.774 2.125 424 HA3 GLY 54 1HA GLY 54 -2.541 15.313 1.888 425 H GLY 55 H GLY 55 -2.253 12.878 -0.537 426 HA2 GLY 55 2HA GLY 55 -5.036 12.889 -1.136 427 HA3 GLY 55 1HA GLY 55 -3.827 11.810 -1.823 428 H ARG 56 H ARG 56 -6.123 10.623 -1.552 429 HA ARG 56 HA ARG 56 -5.661 8.791 0.729 430 HB2 ARG 56 2HB ARG 56 -8.270 10.253 0.264 431 HB3 ARG 56 1HB ARG 56 -8.065 8.910 1.386 432 HG2 ARG 56 2HG ARG 56 -6.290 10.237 2.557 433 HG3 ARG 56 1HG ARG 56 -6.674 11.600 1.506 434 HD2 ARG 56 2HD ARG 56 -9.060 11.439 2.303 435 HD3 ARG 56 1HD ARG 56 -8.524 10.245 3.484 436 HE ARG 56 HE ARG 56 -7.444 11.984 4.702 437 HH11 ARG 56 1HH1 ARG 56 -7.128 14.180 5.131 438 HH12 ARG 56 2HH1 ARG 56 -7.540 15.353 3.925 439 HH21 ARG 56 1HH2 ARG 56 -8.620 12.999 1.621 440 HH22 ARG 56 2HH2 ARG 56 -8.387 14.685 1.940 441 H TYR 57 H TYR 57 -6.394 6.723 0.360 442 HA TYR 57 HA TYR 57 -7.781 6.217 -2.237 443 HB2 TYR 57 2HB TYR 57 -5.827 4.345 -0.868 444 HB3 TYR 57 1HB TYR 57 -6.548 4.145 -2.462 445 HD1 TYR 57 1HD TYR 57 -3.534 4.614 -1.203 446 HD2 TYR 57 2HD TYR 57 -6.267 6.839 -3.670 447 HE1 TYR 57 1HE TYR 57 -1.637 5.862 -2.196 448 HE2 TYR 57 2HE TYR 57 -4.376 8.090 -4.642 449 HH TYR 57 HH TYR 57 -1.124 7.789 -3.381 450 H TYR 58 H TYR 58 -9.581 4.928 -2.104 451 HA TYR 58 HA TYR 58 -10.323 3.987 0.641 452 HB2 TYR 58 2HB TYR 58 -12.214 4.803 -1.573 453 HB3 TYR 58 1HB TYR 58 -12.581 4.576 0.135 454 HD1 TYR 58 1HD TYR 58 -12.578 6.416 1.561 455 HD2 TYR 58 2HD TYR 58 -10.344 6.599 -2.106 456 HE1 TYR 58 1HE TYR 58 -12.002 8.783 2.023 457 HE2 TYR 58 2HE TYR 58 -9.769 8.954 -1.643 458 HH TYR 58 HH TYR 58 -10.693 10.846 -0.330 459 H GLU 59 H GLU 59 -11.101 1.924 0.865 460 HA GLU 59 HA GLU 59 -11.377 0.280 -1.626 461 HB2 GLU 59 2HB GLU 59 -9.342 -0.264 -0.240 462 HB3 GLU 59 1HB GLU 59 -10.423 -0.685 1.088 463 HG2 GLU 59 2HG GLU 59 -11.528 -2.361 -0.390 464 HG3 GLU 59 1HG GLU 59 -10.353 -1.984 -1.651 465 H TRP 60 H TRP 60 -13.154 -1.072 -1.709 466 HA TRP 60 HA TRP 60 -15.158 -0.695 0.475 467 HB2 TRP 60 2HB TRP 60 -15.279 -0.885 -2.454 468 HB3 TRP 60 1HB TRP 60 -16.473 -1.890 -1.635 469 HD1 TRP 60 HD TRP 60 -17.711 -0.397 0.529 470 HE1 TRP 60 1HE TRP 60 -18.776 1.942 0.272 471 HE3 TRP 60 3HE TRP 60 -15.355 1.194 -3.713 472 HZ2 TRP 60 2HZ TRP 60 -18.626 4.199 -1.498 473 HZ3 TRP 60 3HZ TRP 60 -15.826 3.429 -4.660 474 HH2 TRP 60 HH TRP 60 -17.455 4.930 -3.562 475 H ASP 61 H ASP 61 -15.706 -2.473 1.680 476 HA ASP 61 HA ASP 61 -14.827 -5.145 0.630 477 HB2 ASP 61 2HB ASP 61 -15.025 -4.211 3.506 478 HB3 ASP 61 1HB ASP 61 -14.603 -5.845 2.998 479 H ILE 62 H ILE 62 -16.361 -6.760 0.609 480 HA ILE 62 HA ILE 62 -19.089 -6.127 0.533 481 HB ILE 62 HB ILE 62 -19.422 -8.642 0.896 482 HG12 ILE 62 2HG1 ILE 62 -17.238 -9.925 0.555 483 HG13 ILE 62 1HG1 ILE 62 -16.416 -8.454 1.041 484 HG21 ILE 62 1HG2 ILE 62 -18.316 -9.164 -1.304 485 HG22 ILE 62 2HG2 ILE 62 -17.580 -7.562 -1.237 486 HG23 ILE 62 3HG2 ILE 62 -19.335 -7.724 -1.321 487 HD11 ILE 62 1HD1 ILE 62 -17.339 -10.429 2.750 488 HD12 ILE 62 2HD1 ILE 62 -18.568 -9.177 2.880 489 HD13 ILE 62 3HD1 ILE 62 -16.882 -8.796 3.223 490 H ASP 63 H ASP 63 -17.078 -6.879 3.287 491 HA ASP 63 HA ASP 63 -19.493 -6.877 5.041 492 HB2 ASP 63 2HB ASP 63 -16.630 -7.746 5.519 493 HB3 ASP 63 1HB ASP 63 -17.822 -7.610 6.812 494 H GLY 64 H GLY 64 -16.729 -5.045 4.074 495 HA2 GLY 64 2HA GLY 64 -17.219 -3.110 6.288 496 HA3 GLY 64 1HA GLY 64 -15.685 -3.259 5.439 497 H THR 65 H THR 65 -18.071 -1.193 5.755 498 HA THR 65 HA THR 65 -19.024 -0.563 3.163 499 HB THR 65 HB THR 65 -18.360 1.525 5.211 500 HG1 THR 65 1HG THR 65 -20.016 0.857 6.446 501 HG21 THR 65 1HG2 THR 65 -19.911 2.754 4.124 502 HG22 THR 65 2HG2 THR 65 -21.014 1.386 3.976 503 HG23 THR 65 3HG2 THR 65 -19.700 1.587 2.818 504 H GLU 66 H GLU 66 -18.037 2.263 3.229 505 HA GLU 66 HA GLU 66 -15.550 1.789 1.686 506 HB2 GLU 66 2HB GLU 66 -17.570 3.335 0.992 507 HB3 GLU 66 1HB GLU 66 -16.814 4.479 2.082 508 HG2 GLU 66 2HG GLU 66 -14.678 4.181 0.854 509 HG3 GLU 66 1HG GLU 66 -15.526 3.163 -0.305 510 H ILE 67 H ILE 67 -13.574 2.303 2.552 511 HA ILE 67 HA ILE 67 -13.439 4.288 4.737 512 HB ILE 67 HB ILE 67 -12.090 2.745 6.146 513 HG12 ILE 67 2HG1 ILE 67 -13.098 0.654 4.209 514 HG13 ILE 67 1HG1 ILE 67 -11.439 1.248 4.269 515 HG21 ILE 67 1HG2 ILE 67 -14.843 1.670 5.493 516 HG22 ILE 67 2HG2 ILE 67 -14.550 3.115 6.463 517 HG23 ILE 67 3HG2 ILE 67 -13.991 1.542 7.033 518 HD11 ILE 67 1HD1 ILE 67 -12.890 -0.046 6.595 519 HD12 ILE 67 2HD1 ILE 67 -11.199 0.452 6.565 520 HD13 ILE 67 3HD1 ILE 67 -11.744 -0.880 5.545 521 H VAL 68 H VAL 68 -11.132 4.792 5.309 522 HA VAL 68 HA VAL 68 -9.484 4.705 2.822 523 HB VAL 68 HB VAL 68 -9.127 6.425 5.298 524 HG11 VAL 68 1HG1 VAL 68 -7.816 7.778 3.488 525 HG12 VAL 68 2HG1 VAL 68 -7.789 6.249 2.608 526 HG13 VAL 68 3HG1 VAL 68 -7.052 6.359 4.206 527 HG21 VAL 68 1HG2 VAL 68 -10.727 7.789 4.493 528 HG22 VAL 68 2HG2 VAL 68 -11.081 6.595 3.247 529 HG23 VAL 68 3HG2 VAL 68 -9.905 7.870 2.934 530 H TRP 69 H TRP 69 -7.749 3.348 2.803 531 HA TRP 69 HA TRP 69 -6.814 2.290 5.446 532 HB2 TRP 69 2HB TRP 69 -6.400 0.236 4.457 533 HB3 TRP 69 1HB TRP 69 -7.775 0.777 3.499 534 HD1 TRP 69 HD TRP 69 -3.965 0.438 3.346 535 HE1 TRP 69 1HE TRP 69 -3.232 0.507 0.883 536 HE3 TRP 69 3HE TRP 69 -8.431 1.501 1.118 537 HZ2 TRP 69 2HZ TRP 69 -4.376 0.916 -1.689 538 HZ3 TRP 69 3HZ TRP 69 -8.570 1.704 -1.348 539 HH2 TRP 69 HH TRP 69 -6.560 1.413 -2.741 540 H GLY 70 H GLY 70 -5.946 4.573 3.259 541 HA2 GLY 70 2HA GLY 70 -3.152 4.467 4.135 542 HA3 GLY 70 1HA GLY 70 -3.370 4.218 2.406 543 H ARG 71 H ARG 71 -1.919 6.337 2.861 544 HA ARG 71 HA ARG 71 -3.672 8.601 2.162 545 HB2 ARG 71 2HB ARG 71 -2.941 8.363 4.798 546 HB3 ARG 71 1HB ARG 71 -1.630 9.349 4.155 547 HG2 ARG 71 2HG ARG 71 -3.391 10.829 3.095 548 HG3 ARG 71 1HG ARG 71 -4.589 9.940 4.034 549 HD2 ARG 71 2HD ARG 71 -3.974 11.930 5.276 550 HD3 ARG 71 1HD ARG 71 -3.312 10.524 6.112 551 HE ARG 71 HE ARG 71 -1.381 11.580 4.255 552 HH11 ARG 71 1HH1 ARG 71 0.369 12.715 5.126 553 HH12 ARG 71 2HH1 ARG 71 0.267 13.330 6.743 554 HH21 ARG 71 1HH2 ARG 71 -2.941 12.133 7.279 555 HH22 ARG 71 2HH2 ARG 71 -1.607 13.003 7.959 556 H ILE 72 H ILE 72 -1.983 10.591 1.856 557 HA ILE 72 HA ILE 72 0.503 9.524 0.626 558 HB ILE 72 HB ILE 72 -1.540 11.321 -0.693 559 HG12 ILE 72 2HG1 ILE 72 -1.050 9.566 -2.554 560 HG13 ILE 72 1HG1 ILE 72 -0.347 8.606 -1.254 561 HG21 ILE 72 1HG2 ILE 72 0.174 11.441 -2.560 562 HG22 ILE 72 2HG2 ILE 72 1.356 10.827 -1.404 563 HG23 ILE 72 3HG2 ILE 72 0.566 12.378 -1.119 564 HD11 ILE 72 1HD1 ILE 72 -2.811 9.519 -0.249 565 HD12 ILE 72 2HD1 ILE 72 -2.424 7.887 -0.770 566 HD13 ILE 72 3HD1 ILE 72 -3.139 9.029 -1.906 567 H LEU 73 H LEU 73 2.097 11.392 0.215 568 HA LEU 73 HA LEU 73 1.710 13.491 2.310 569 HB2 LEU 73 2HB LEU 73 4.152 11.981 1.417 570 HB3 LEU 73 1HB LEU 73 4.291 13.520 2.261 571 HG LEU 73 HG LEU 73 2.494 11.400 3.389 572 HD11 LEU 73 1HD1 LEU 73 4.322 10.374 4.581 573 HD12 LEU 73 2HD1 LEU 73 5.471 11.540 3.925 574 HD13 LEU 73 3HD1 LEU 73 4.723 10.346 2.866 575 HD21 LEU 73 1HD2 LEU 73 3.122 13.961 4.141 576 HD22 LEU 73 2HD2 LEU 73 4.286 13.031 5.083 577 HD23 LEU 73 3HD2 LEU 73 2.561 12.715 5.253 578 H GLU 74 H GLU 74 3.174 12.835 -0.858 579 HA GLU 74 HA GLU 74 2.369 15.342 -1.982 580 HB2 GLU 74 2HB GLU 74 4.149 16.158 -0.395 581 HB3 GLU 74 1HB GLU 74 5.315 15.163 -1.269 582 HG2 GLU 74 2HG GLU 74 4.737 16.388 -3.363 583 HG3 GLU 74 1HG GLU 74 3.666 17.429 -2.426 584 H TRP 75 H TRP 75 3.071 15.477 -4.236 585 HA TRP 75 HA TRP 75 4.215 12.904 -5.237 586 HB2 TRP 75 2HB TRP 75 2.911 13.321 -7.298 587 HB3 TRP 75 1HB TRP 75 1.863 13.243 -5.879 588 HD1 TRP 75 HD TRP 75 1.112 15.658 -4.815 589 HE1 TRP 75 1HE TRP 75 0.629 17.891 -6.010 590 HE3 TRP 75 3HE TRP 75 3.461 14.800 -9.267 591 HZ2 TRP 75 2HZ TRP 75 1.169 19.147 -8.524 592 HZ3 TRP 75 3HZ TRP 75 3.460 16.528 -11.044 593 HH2 TRP 75 HH TRP 75 2.318 18.698 -10.678 594 H ASP 76 H ASP 76 6.077 13.045 -6.418 595 HA ASP 76 HA ASP 76 7.085 15.759 -7.065 596 HB2 ASP 76 2HB ASP 76 8.391 13.773 -5.840 597 HB3 ASP 76 1HB ASP 76 8.756 13.343 -7.512 598 HA PRO 77 HA PRO 77 5.511 15.193 -11.251 599 HB2 PRO 77 2HB PRO 77 7.871 16.917 -11.877 600 HB3 PRO 77 1HB PRO 77 6.195 17.051 -12.421 601 HG2 PRO 77 2HG PRO 77 7.198 18.594 -10.471 602 HG3 PRO 77 1HG PRO 77 5.505 18.076 -10.512 603 HD2 PRO 77 2HD PRO 77 7.669 17.221 -8.692 604 HD3 PRO 77 1HD PRO 77 5.908 17.112 -8.478 605 HA PRO 78 HA PRO 78 9.704 13.560 -13.259 606 HB2 PRO 78 2HB PRO 78 11.336 12.549 -11.170 607 HB3 PRO 78 1HB PRO 78 11.681 13.949 -12.197 608 HG2 PRO 78 2HG PRO 78 10.536 13.849 -9.464 609 HG3 PRO 78 1HG PRO 78 11.600 15.056 -10.207 610 HD2 PRO 78 2HD PRO 78 9.000 15.578 -9.836 611 HD3 PRO 78 1HD PRO 78 9.843 16.135 -11.298 612 H HIS 79 H HIS 79 10.063 11.658 -10.333 613 HA HIS 79 HA HIS 79 7.849 9.879 -10.873 614 HB2 HIS 79 2HB HIS 79 9.469 7.921 -11.272 615 HB3 HIS 79 1HB HIS 79 9.218 9.022 -12.625 616 HD1 HIS 79 1HD HIS 79 11.519 9.279 -9.580 617 HD2 HIS 79 2HD HIS 79 11.706 9.438 -13.744 618 HE1 HIS 79 1HE HIS 79 13.921 9.830 -10.172 619 HE2 HIS 79 2HE HIS 79 14.045 9.930 -12.702 620 H ARG 80 H ARG 80 8.699 11.411 -8.668 621 HA ARG 80 HA ARG 80 9.440 9.235 -6.758 622 HB2 ARG 80 2HB ARG 80 11.419 10.666 -7.140 623 HB3 ARG 80 1HB ARG 80 10.470 12.089 -6.706 624 HG2 ARG 80 2HG ARG 80 10.129 11.223 -4.456 625 HG3 ARG 80 1HG ARG 80 10.958 9.723 -4.882 626 HD2 ARG 80 2HD ARG 80 12.550 11.119 -3.736 627 HD3 ARG 80 1HD ARG 80 12.993 11.106 -5.439 628 HE ARG 80 HE ARG 80 11.313 13.318 -5.146 629 HH11 ARG 80 1HH1 ARG 80 12.144 15.379 -4.751 630 HH12 ARG 80 2HH1 ARG 80 13.705 15.544 -4.019 631 HH21 ARG 80 1HH2 ARG 80 14.247 12.128 -3.778 632 HH22 ARG 80 2HH2 ARG 80 14.895 13.703 -3.466 633 H LEU 81 H LEU 81 8.375 9.355 -4.743 634 HA LEU 81 HA LEU 81 6.715 11.669 -4.097 635 HB2 LEU 81 2HB LEU 81 4.584 10.363 -4.178 636 HB3 LEU 81 1HB LEU 81 5.289 10.665 -5.767 637 HG LEU 81 HG LEU 81 6.504 8.299 -4.978 638 HD11 LEU 81 1HD1 LEU 81 4.651 6.871 -4.239 639 HD12 LEU 81 2HD1 LEU 81 3.587 8.278 -4.187 640 HD13 LEU 81 3HD1 LEU 81 4.957 8.167 -3.083 641 HD21 LEU 81 1HD2 LEU 81 5.125 7.299 -6.719 642 HD22 LEU 81 2HD2 LEU 81 5.576 8.929 -7.212 643 HD23 LEU 81 3HD2 LEU 81 3.955 8.613 -6.591 644 H ALA 82 H ALA 82 6.137 11.687 -1.964 645 HA ALA 82 HA ALA 82 6.944 9.316 -0.327 646 HB1 ALA 82 1HB ALA 82 8.007 11.594 0.156 647 HB2 ALA 82 2HB ALA 82 7.208 10.830 1.530 648 HB3 ALA 82 3HB ALA 82 6.405 12.137 0.656 649 H MET 83 H MET 83 5.316 8.571 1.277 650 HA MET 83 HA MET 83 2.671 9.865 1.001 651 HB2 MET 83 2HB MET 83 1.930 7.235 0.831 652 HB3 MET 83 1HB MET 83 2.048 8.334 -0.542 653 HG2 MET 83 2HG MET 83 4.425 7.630 -0.856 654 HG3 MET 83 1HG MET 83 4.219 6.461 0.451 655 HE1 MET 83 1HE MET 83 2.406 4.909 0.616 656 HE2 MET 83 2HE MET 83 1.751 3.949 -0.708 657 HE3 MET 83 3HE MET 83 0.986 5.475 -0.275 658 H THR 84 H THR 84 1.234 9.493 2.695 659 HA THR 84 HA THR 84 2.413 8.074 5.054 660 HB THR 84 HB THR 84 0.526 10.426 4.826 661 HG1 THR 84 1HG THR 84 2.650 10.192 6.615 662 HG21 THR 84 1HG2 THR 84 0.438 10.186 7.396 663 HG22 THR 84 2HG2 THR 84 0.933 8.515 7.124 664 HG23 THR 84 3HG2 THR 84 -0.584 9.108 6.445 665 H TRP 85 H TRP 85 0.830 6.757 6.319 666 HA TRP 85 HA TRP 85 -1.369 5.787 4.539 667 HB2 TRP 85 2HB TRP 85 0.436 4.447 6.505 668 HB3 TRP 85 1HB TRP 85 -1.196 3.803 6.311 669 HD1 TRP 85 HD TRP 85 0.734 5.369 3.404 670 HE1 TRP 85 1HE TRP 85 1.193 3.550 1.640 671 HE3 TRP 85 3HE TRP 85 -0.911 1.253 5.937 672 HZ2 TRP 85 2HZ TRP 85 0.902 0.720 1.340 673 HZ3 TRP 85 3HZ TRP 85 -0.810 -0.990 4.890 674 HH2 TRP 85 HH TRP 85 0.094 -1.262 2.597 675 H ARG 86 H ARG 86 -3.482 6.010 5.233 676 HA ARG 86 HA ARG 86 -3.856 6.904 8.070 677 HB2 ARG 86 2HB ARG 86 -4.522 8.600 6.408 678 HB3 ARG 86 1HB ARG 86 -5.617 7.436 5.660 679 HG2 ARG 86 2HG ARG 86 -6.853 7.253 7.814 680 HG3 ARG 86 1HG ARG 86 -5.786 8.473 8.508 681 HD2 ARG 86 2HD ARG 86 -7.507 8.908 6.052 682 HD3 ARG 86 1HD ARG 86 -7.957 9.409 7.682 683 HE ARG 86 HE ARG 86 -5.353 10.422 6.811 684 HH11 ARG 86 1HH1 ARG 86 -5.240 12.670 6.595 685 HH12 ARG 86 2HH1 ARG 86 -6.701 13.598 6.570 686 HH21 ARG 86 1HH2 ARG 86 -8.773 10.839 6.922 687 HH22 ARG 86 2HH2 ARG 86 -8.703 12.561 6.753 688 H ILE 87 H ILE 87 -4.424 5.106 9.211 689 HA ILE 87 HA ILE 87 -6.901 3.714 8.400 690 HB ILE 87 HB ILE 87 -4.979 2.399 7.427 691 HG12 ILE 87 2HG1 ILE 87 -6.282 0.833 9.651 692 HG13 ILE 87 1HG1 ILE 87 -7.258 1.481 8.331 693 HG21 ILE 87 1HG2 ILE 87 -4.321 1.443 10.174 694 HG22 ILE 87 2HG2 ILE 87 -3.650 2.999 9.683 695 HG23 ILE 87 3HG2 ILE 87 -3.293 1.549 8.745 696 HD11 ILE 87 1HD1 ILE 87 -4.783 -0.200 7.875 697 HD12 ILE 87 2HD1 ILE 87 -6.009 0.254 6.694 698 HD13 ILE 87 3HD1 ILE 87 -6.405 -0.886 7.978 699 H ASP 88 H ASP 88 -7.841 2.496 10.225 700 HA ASP 88 HA ASP 88 -6.795 3.471 12.853 701 HB2 ASP 88 2HB ASP 88 -9.047 4.340 12.189 702 HB3 ASP 88 1HB ASP 88 -9.636 2.682 12.223 703 H GLY 89 H GLY 89 -7.653 1.973 14.678 704 HA2 GLY 89 2HA GLY 89 -6.408 -0.575 14.379 705 HA3 GLY 89 1HA GLY 89 -7.466 -0.123 15.716 706 H HIS 90 H HIS 90 -9.831 0.380 14.139 707 HA HIS 90 HA HIS 90 -10.503 -2.446 13.479 708 HB2 HIS 90 2HB HIS 90 -11.810 -0.558 15.059 709 HB3 HIS 90 1HB HIS 90 -12.757 -0.600 13.574 710 HD1 HIS 90 1HD HIS 90 -13.343 -1.955 16.543 711 HD2 HIS 90 2HD HIS 90 -12.397 -3.865 12.957 712 HE1 HIS 90 1HE HIS 90 -14.213 -4.328 16.743 713 HE2 HIS 90 2HE HIS 90 -13.644 -5.498 14.565 714 H TRP 91 H TRP 91 -9.079 -0.851 11.546 715 HA TRP 91 HA TRP 91 -9.191 -0.273 9.275 716 HB2 TRP 91 2HB TRP 91 -11.529 -2.169 9.548 717 HB3 TRP 91 1HB TRP 91 -11.067 -1.463 8.002 718 HD1 TRP 91 HD TRP 91 -8.615 -2.072 7.061 719 HE1 TRP 91 1HE TRP 91 -7.151 -4.157 7.443 720 HE3 TRP 91 3HE TRP 91 -10.841 -3.970 11.237 721 HZ2 TRP 91 2HZ TRP 91 -6.954 -6.342 9.280 722 HZ3 TRP 91 3HZ TRP 91 -10.007 -6.051 12.283 723 HH2 TRP 91 HH TRP 91 -8.063 -7.241 11.309 724 H GLN 92 H GLN 92 -10.200 1.702 10.929 725 HA GLN 92 HA GLN 92 -12.576 2.686 9.391 726 HB2 GLN 92 2HB GLN 92 -11.814 3.340 12.256 727 HB3 GLN 92 1HB GLN 92 -13.222 3.956 11.393 728 HG2 GLN 92 2HG GLN 92 -14.029 1.618 11.103 729 HG3 GLN 92 1HG GLN 92 -12.658 1.057 12.060 730 HE21 GLN 92 1HE2 GLN 92 -13.363 3.976 13.414 731 HE22 GLN 92 2HE2 GLN 92 -14.467 3.492 14.609 732 H SER 93 H SER 93 -12.590 5.006 8.997 733 HA SER 93 HA SER 93 -9.831 6.107 8.810 734 HB2 SER 93 2HB SER 93 -11.195 5.946 6.718 735 HB3 SER 93 1HB SER 93 -12.371 7.043 7.438 736 HG SER 93 HG SER 93 -11.059 8.656 7.085 737 H VAL 94 H VAL 94 -9.311 8.026 9.830 738 HA VAL 94 HA VAL 94 -11.485 9.429 11.326 739 HB VAL 94 HB VAL 94 -9.370 9.770 12.990 740 HG11 VAL 94 1HG1 VAL 94 -10.358 7.665 14.188 741 HG12 VAL 94 2HG1 VAL 94 -11.512 7.661 12.855 742 HG13 VAL 94 3HG1 VAL 94 -11.401 9.061 13.922 743 HG21 VAL 94 1HG2 VAL 94 -7.948 7.920 13.080 744 HG22 VAL 94 2HG2 VAL 94 -8.179 8.083 11.339 745 HG23 VAL 94 3HG2 VAL 94 -9.091 6.872 12.241 746 HA PRO 95 HA PRO 95 -9.987 13.217 9.677 747 HB2 PRO 95 2HB PRO 95 -9.625 14.669 12.082 748 HB3 PRO 95 1HB PRO 95 -11.086 14.627 11.080 749 HG2 PRO 95 2HG PRO 95 -10.464 13.178 13.573 750 HG3 PRO 95 1HG PRO 95 -12.027 13.697 12.921 751 HD2 PRO 95 2HD PRO 95 -11.229 11.095 12.890 752 HD3 PRO 95 1HD PRO 95 -12.277 11.785 11.630 753 H ASP 96 H ASP 96 -8.218 11.833 12.387 754 HA ASP 96 HA ASP 96 -5.681 12.405 11.029 755 HB2 ASP 96 2HB ASP 96 -6.357 14.413 12.580 756 HB3 ASP 96 1HB ASP 96 -5.878 13.313 13.874 757 H ASP 97 H ASP 97 -4.043 10.990 11.750 758 HA ASP 97 HA ASP 97 -5.006 8.836 13.565 759 HB2 ASP 97 2HB ASP 97 -2.998 8.887 11.319 760 HB3 ASP 97 1HB ASP 97 -3.066 7.562 12.481 761 H ASP 98 H ASP 98 -4.182 8.919 15.579 762 HA ASP 98 HA ASP 98 -1.896 10.537 16.280 763 HB2 ASP 98 2HB ASP 98 -3.374 8.374 17.791 764 HB3 ASP 98 1HB ASP 98 -2.131 9.404 18.498 765 H ARG 99 H ARG 99 -2.415 7.235 15.339 766 HA ARG 99 HA ARG 99 0.408 6.538 15.950 767 HB2 ARG 99 2HB ARG 99 -0.703 4.208 15.094 768 HB3 ARG 99 1HB ARG 99 -0.746 4.740 16.775 769 HG2 ARG 99 2HG ARG 99 -2.943 5.702 16.490 770 HG3 ARG 99 1HG ARG 99 -2.894 5.421 14.749 771 HD2 ARG 99 2HD ARG 99 -4.234 3.671 15.746 772 HD3 ARG 99 1HD ARG 99 -2.706 2.956 15.226 773 HE ARG 99 HE ARG 99 -2.727 3.858 18.017 774 HH11 ARG 99 1HH1 ARG 99 -2.462 2.209 19.539 775 HH12 ARG 99 2HH1 ARG 99 -2.636 0.557 19.045 776 HH21 ARG 99 1HH2 ARG 99 -3.325 1.340 15.739 777 HH22 ARG 99 2HH2 ARG 99 -3.123 0.066 16.893 778 H ALA 100 H ALA 100 -0.232 8.285 13.724 779 HA ALA 100 HA ALA 100 -0.084 6.611 11.310 780 HB1 ALA 100 1HB ALA 100 0.488 9.352 10.745 781 HB2 ALA 100 2HB ALA 100 -0.835 9.301 11.908 782 HB3 ALA 100 3HB ALA 100 -0.977 8.447 10.371 783 H SER 101 H SER 101 1.720 6.586 9.887 784 HA SER 101 HA SER 101 4.286 7.606 11.038 785 HB2 SER 101 2HB SER 101 5.398 5.571 10.314 786 HB3 SER 101 1HB SER 101 4.028 5.126 11.326 787 HG SER 101 HG SER 101 3.335 5.401 8.713 788 H GLU 102 H GLU 102 6.021 7.711 9.257 789 HA GLU 102 HA GLU 102 4.724 8.707 6.756 790 HB2 GLU 102 2HB GLU 102 7.434 9.373 7.938 791 HB3 GLU 102 1HB GLU 102 6.761 10.068 6.463 792 HG2 GLU 102 2HG GLU 102 4.845 10.948 7.783 793 HG3 GLU 102 1HG GLU 102 5.592 10.317 9.251 794 H ILE 103 H ILE 103 5.376 7.900 4.780 795 HA ILE 103 HA ILE 103 7.469 5.758 4.827 796 HB ILE 103 HB ILE 103 5.020 5.901 3.040 797 HG12 ILE 103 2HG1 ILE 103 5.555 4.072 5.399 798 HG13 ILE 103 1HG1 ILE 103 4.507 5.492 5.467 799 HG21 ILE 103 1HG2 ILE 103 5.682 3.807 2.199 800 HG22 ILE 103 2HG2 ILE 103 6.759 3.497 3.559 801 HG23 ILE 103 3HG2 ILE 103 7.211 4.672 2.326 802 HD11 ILE 103 1HD1 ILE 103 4.141 3.019 3.759 803 HD12 ILE 103 2HD1 ILE 103 3.203 4.495 3.533 804 HD13 ILE 103 3HD1 ILE 103 3.085 3.596 5.047 805 H GLU 104 H GLU 104 9.004 5.864 3.191 806 HA GLU 104 HA GLU 104 8.789 8.215 1.347 807 HB2 GLU 104 2HB GLU 104 10.710 8.224 2.970 808 HB3 GLU 104 1HB GLU 104 11.295 6.741 2.215 809 HG2 GLU 104 2HG GLU 104 11.387 7.931 0.027 810 HG3 GLU 104 1HG GLU 104 10.904 9.418 0.845 811 H VAL 105 H VAL 105 8.402 7.656 -0.742 812 HA VAL 105 HA VAL 105 9.438 5.030 -1.704 813 HB VAL 105 HB VAL 105 6.803 6.223 -2.575 814 HG11 VAL 105 1HG1 VAL 105 7.792 3.364 -2.653 815 HG12 VAL 105 2HG1 VAL 105 8.033 4.495 -3.984 816 HG13 VAL 105 3HG1 VAL 105 6.399 4.044 -3.494 817 HG21 VAL 105 1HG2 VAL 105 5.855 4.371 -1.056 818 HG22 VAL 105 2HG2 VAL 105 6.467 5.818 -0.256 819 HG23 VAL 105 3HG2 VAL 105 7.443 4.351 -0.289 820 H ASP 106 H ASP 106 10.383 5.096 -3.743 821 HA ASP 106 HA ASP 106 10.112 7.641 -5.284 822 HB2 ASP 106 2HB ASP 106 12.702 6.161 -4.758 823 HB3 ASP 106 1HB ASP 106 12.519 7.619 -5.736 824 H PHE 107 H PHE 107 9.987 7.325 -7.526 825 HA PHE 107 HA PHE 107 10.246 4.493 -8.448 826 HB2 PHE 107 2HB PHE 107 8.336 6.659 -9.362 827 HB3 PHE 107 1HB PHE 107 8.486 5.067 -10.095 828 HD1 PHE 107 1HD PHE 107 7.145 3.320 -9.319 829 HD2 PHE 107 2HD PHE 107 7.961 6.662 -6.748 830 HE1 PHE 107 1HE PHE 107 5.611 2.381 -7.610 831 HE2 PHE 107 2HE PHE 107 6.432 5.723 -5.043 832 HZ PHE 107 HZ PHE 107 5.252 3.583 -5.472 833 H VAL 108 H VAL 108 11.400 4.134 -10.311 834 HA VAL 108 HA VAL 108 12.468 6.513 -11.758 835 HB VAL 108 HB VAL 108 14.107 4.030 -11.446 836 HG11 VAL 108 1HG1 VAL 108 14.662 5.962 -13.010 837 HG12 VAL 108 2HG1 VAL 108 15.929 5.524 -11.863 838 HG13 VAL 108 3HG1 VAL 108 14.921 6.940 -11.564 839 HG21 VAL 108 1HG2 VAL 108 15.168 5.467 -9.486 840 HG22 VAL 108 2HG2 VAL 108 13.815 4.382 -9.169 841 HG23 VAL 108 3HG2 VAL 108 13.530 6.110 -9.371 842 HA PRO 109 HA PRO 109 10.633 3.924 -14.999 843 HB2 PRO 109 2HB PRO 109 10.901 5.658 -17.072 844 HB3 PRO 109 1HB PRO 109 9.652 5.845 -15.826 845 HG2 PRO 109 2HG PRO 109 12.246 7.257 -16.132 846 HG3 PRO 109 1HG PRO 109 10.672 7.883 -15.622 847 HD2 PRO 109 2HD PRO 109 12.704 7.267 -13.869 848 HD3 PRO 109 1HD PRO 109 10.980 7.250 -13.426 849 H ASN 110 H ASN 110 11.616 2.369 -16.135 850 HA ASN 110 HA ASN 110 14.312 2.900 -17.280 851 HB2 ASN 110 2HB ASN 110 14.148 1.248 -15.309 852 HB3 ASN 110 1HB ASN 110 13.316 0.184 -16.442 853 HD21 ASN 110 1HD2 ASN 110 15.367 -1.197 -15.982 854 HD22 ASN 110 2HD2 ASN 110 16.720 -0.906 -16.966 855 H GLY 111 H GLY 111 14.300 2.794 -19.476 856 HA2 GLY 111 2HA GLY 111 12.058 2.327 -21.064 857 HA3 GLY 111 1HA GLY 111 13.707 2.104 -21.650 858 H SER 112 H SER 112 12.120 0.403 -22.818 859 HA SER 112 HA SER 112 11.759 -1.886 -23.186 860 HB2 SER 112 2HB SER 112 13.281 -2.839 -20.869 861 HB3 SER 112 1HB SER 112 13.505 -3.195 -22.578 862 HG SER 112 HG SER 112 14.499 -1.063 -21.030 863 H GLY 113 H GLY 113 10.375 -0.192 -20.932 864 HA2 GLY 113 2HA GLY 113 8.512 -0.620 -19.557 865 HA3 GLY 113 1HA GLY 113 8.547 -2.290 -20.134 866 H GLY 114 H GLY 114 10.452 -0.115 -18.015 867 HA2 GLY 114 2HA GLY 114 10.483 -2.239 -15.975 868 HA3 GLY 114 1HA GLY 114 12.048 -1.706 -16.576 869 H THR 115 H THR 115 10.415 -1.402 -13.940 870 HA THR 115 HA THR 115 11.126 1.477 -13.605 871 HB THR 115 HB THR 115 8.517 0.134 -12.969 872 HG1 THR 115 1HG THR 115 8.754 2.816 -13.571 873 HG21 THR 115 1HG2 THR 115 8.133 2.254 -11.510 874 HG22 THR 115 2HG2 THR 115 9.892 2.302 -11.402 875 HG23 THR 115 3HG2 THR 115 9.010 0.896 -10.807 876 H ARG 116 H ARG 116 12.251 1.876 -11.748 877 HA ARG 116 HA ARG 116 12.664 -0.434 -9.907 878 HB2 ARG 116 2HB ARG 116 14.691 0.625 -10.925 879 HB3 ARG 116 1HB ARG 116 14.245 2.150 -10.152 880 HG2 ARG 116 2HG ARG 116 14.326 0.995 -7.934 881 HG3 ARG 116 1HG ARG 116 14.912 -0.455 -8.751 882 HD2 ARG 116 2HD ARG 116 16.275 2.254 -8.777 883 HD3 ARG 116 1HD ARG 116 16.792 0.854 -7.838 884 HE ARG 116 HE ARG 116 16.727 -0.102 -10.429 885 HH11 ARG 116 1HH1 ARG 116 18.495 0.019 -11.830 886 HH12 ARG 116 2HH1 ARG 116 19.692 1.246 -11.589 887 HH21 ARG 116 1HH2 ARG 116 18.115 2.611 -8.818 888 HH22 ARG 116 2HH2 ARG 116 19.478 2.713 -9.881 889 H VAL 117 H VAL 117 11.717 -0.325 -7.903 890 HA VAL 117 HA VAL 117 10.814 2.370 -6.963 891 HB VAL 117 HB VAL 117 9.397 -0.274 -6.576 892 HG11 VAL 117 1HG1 VAL 117 9.088 1.316 -4.717 893 HG12 VAL 117 2HG1 VAL 117 7.599 1.145 -5.647 894 HG13 VAL 117 3HG1 VAL 117 8.617 2.570 -5.864 895 HG21 VAL 117 1HG2 VAL 117 8.674 0.128 -8.688 896 HG22 VAL 117 2HG2 VAL 117 9.294 1.779 -8.676 897 HG23 VAL 117 3HG2 VAL 117 7.721 1.422 -7.966 898 H GLU 118 H GLU 118 11.325 2.891 -4.913 899 HA GLU 118 HA GLU 118 12.509 0.750 -3.186 900 HB2 GLU 118 2HB GLU 118 13.168 3.722 -3.220 901 HB3 GLU 118 1HB GLU 118 13.907 2.514 -2.170 902 HG2 GLU 118 2HG GLU 118 14.786 1.335 -4.160 903 HG3 GLU 118 1HG GLU 118 14.071 2.567 -5.199 904 H LEU 119 H LEU 119 10.750 0.277 -1.869 905 HA LEU 119 HA LEU 119 9.278 2.594 -0.698 906 HB2 LEU 119 2HB LEU 119 7.945 0.927 -2.000 907 HB3 LEU 119 1HB LEU 119 8.420 -0.304 -0.842 908 HG LEU 119 HG LEU 119 7.297 2.162 0.345 909 HD11 LEU 119 1HD1 LEU 119 5.746 0.355 -1.502 910 HD12 LEU 119 2HD1 LEU 119 5.719 2.115 -1.404 911 HD13 LEU 119 3HD1 LEU 119 4.948 1.149 -0.145 912 HD21 LEU 119 1HD2 LEU 119 6.139 0.462 1.741 913 HD22 LEU 119 2HD2 LEU 119 7.878 0.180 1.688 914 HD23 LEU 119 3HD2 LEU 119 6.794 -0.810 0.712 915 H ALA 120 H ALA 120 9.690 3.047 1.383 916 HA ALA 120 HA ALA 120 10.580 0.830 3.186 917 HB1 ALA 120 1HB ALA 120 11.658 3.519 3.765 918 HB2 ALA 120 2HB ALA 120 12.274 2.786 2.286 919 HB3 ALA 120 3HB ALA 120 12.458 1.950 3.829 920 H HIS 121 H HIS 121 9.444 0.803 5.102 921 HA HIS 121 HA HIS 121 7.826 3.235 5.765 922 HB2 HIS 121 2HB HIS 121 6.030 1.897 6.466 923 HB3 HIS 121 1HB HIS 121 6.593 1.070 5.017 924 HD1 HIS 121 1HD HIS 121 6.949 0.867 8.804 925 HD2 HIS 121 2HD HIS 121 7.354 -1.566 5.442 926 HE1 HIS 121 1HE HIS 121 7.259 -1.501 9.667 927 HE2 HIS 121 2HE HIS 121 7.536 -2.983 7.625 928 H VAL 122 H VAL 122 8.247 4.101 7.738 929 HA VAL 122 HA VAL 122 9.772 2.423 9.688 930 HB VAL 122 HB VAL 122 11.027 4.494 10.284 931 HG11 VAL 122 1HG1 VAL 122 11.230 2.915 7.889 932 HG12 VAL 122 2HG1 VAL 122 12.527 3.643 8.836 933 HG13 VAL 122 3HG1 VAL 122 11.759 4.560 7.540 934 HG21 VAL 122 1HG2 VAL 122 8.977 5.688 8.697 935 HG22 VAL 122 2HG2 VAL 122 10.509 5.962 7.866 936 HG23 VAL 122 3HG2 VAL 122 10.304 6.498 9.533 937 H LYS 123 H LYS 123 9.526 3.029 11.913 938 HA LYS 123 HA LYS 123 8.223 3.554 13.780 939 HB2 LYS 123 2HB LYS 123 7.857 5.954 11.992 940 HB3 LYS 123 1HB LYS 123 7.058 5.857 13.562 941 HG2 LYS 123 2HG LYS 123 9.159 6.992 13.893 942 HG3 LYS 123 1HG LYS 123 9.317 5.377 14.585 943 HD2 LYS 123 2HD LYS 123 10.563 4.590 12.702 944 HD3 LYS 123 1HD LYS 123 10.173 6.027 11.758 945 HE2 LYS 123 2HE LYS 123 12.496 5.714 13.139 946 HE3 LYS 123 1HE LYS 123 11.782 7.284 12.771 947 HZ1 LYS 123 1HZ LYS 123 12.269 7.179 15.095 948 HZ2 LYS 123 2HZ LYS 123 11.434 5.709 15.263 949 HZ3 LYS 123 3HZ LYS 123 10.584 7.136 14.907 950 H LEU 124 H LEU 124 7.023 1.941 11.623 951 HA LEU 124 HA LEU 124 4.241 2.720 11.375 952 HB2 LEU 124 2HB LEU 124 5.618 1.135 9.873 953 HB3 LEU 124 1HB LEU 124 5.299 -0.077 11.106 954 HG LEU 124 HG LEU 124 2.848 0.453 10.888 955 HD11 LEU 124 1HD1 LEU 124 3.985 2.351 8.902 956 HD12 LEU 124 2HD1 LEU 124 2.526 2.487 9.881 957 HD13 LEU 124 3HD1 LEU 124 2.518 1.499 8.422 958 HD21 LEU 124 1HD2 LEU 124 4.587 -0.978 9.096 959 HD22 LEU 124 2HD2 LEU 124 3.192 -0.365 8.210 960 HD23 LEU 124 3HD2 LEU 124 2.958 -1.398 9.620 961 H HIS 125 H HIS 125 6.128 0.568 13.425 962 HA HIS 125 HA HIS 125 4.215 -0.826 14.860 963 HB2 HIS 125 2HB HIS 125 6.548 -1.172 15.320 964 HB3 HIS 125 1HB HIS 125 6.729 0.487 15.880 965 HD1 HIS 125 1HD HIS 125 4.280 -2.316 16.771 966 HD2 HIS 125 2HD HIS 125 6.778 0.456 18.635 967 HE1 HIS 125 1HE HIS 125 3.975 -2.639 19.267 968 HE2 HIS 125 2HE HIS 125 5.492 -0.957 20.410 969 H ARG 126 H ARG 126 4.579 2.579 14.798 970 HA ARG 126 HA ARG 126 3.730 3.387 17.319 971 HB2 ARG 126 2HB ARG 126 2.996 4.460 14.603 972 HB3 ARG 126 1HB ARG 126 2.495 5.253 16.096 973 HG2 ARG 126 2HG ARG 126 4.869 5.360 16.805 974 HG3 ARG 126 1HG ARG 126 5.347 4.651 15.267 975 HD2 ARG 126 2HD ARG 126 4.264 6.558 14.085 976 HD3 ARG 126 1HD ARG 126 3.895 7.285 15.649 977 HE ARG 126 HE ARG 126 6.468 7.341 14.332 978 HH11 ARG 126 1HH1 ARG 126 8.171 8.276 15.491 979 HH12 ARG 126 2HH1 ARG 126 8.024 8.481 17.205 980 HH21 ARG 126 1HH2 ARG 126 4.845 7.104 17.364 981 HH22 ARG 126 2HH2 ARG 126 6.141 7.815 18.265 982 H HIS 127 H HIS 127 1.794 1.794 14.819 983 HA HIS 127 HA HIS 127 -0.677 2.284 16.322 984 HB2 HIS 127 2HB HIS 127 -1.668 0.650 14.652 985 HB3 HIS 127 1HB HIS 127 -0.991 2.116 13.966 986 HD1 HIS 127 1HD HIS 127 1.912 0.352 14.802 987 HD2 HIS 127 2HD HIS 127 -0.959 -0.189 11.824 988 HE1 HIS 127 1HE HIS 127 3.008 -1.027 12.976 989 HE2 HIS 127 2HE HIS 127 1.268 -1.372 11.172 990 H GLY 128 H GLY 128 1.647 -0.341 15.978 991 HA2 GLY 128 2HA GLY 128 1.573 -2.545 16.908 992 HA3 GLY 128 1HA GLY 128 1.519 -1.561 18.371 993 H ASP 129 H ASP 129 0.220 -3.119 19.483 994 HA ASP 129 HA ASP 129 -1.789 -4.152 20.134 995 HB2 ASP 129 2HB ASP 129 -2.863 -1.702 18.706 996 HB3 ASP 129 1HB ASP 129 -3.827 -2.758 19.740 997 H GLY 130 H GLY 130 -0.793 -5.453 17.958 998 HA2 GLY 130 2HA GLY 130 -1.617 -7.036 16.392 999 HA3 GLY 130 1HA GLY 130 -3.238 -6.363 16.626 1000 H ALA 131 H ALA 131 -0.371 -4.503 15.834 1001 HA ALA 131 HA ALA 131 -1.568 -2.941 13.823 1002 HB1 ALA 131 1HB ALA 131 1.024 -2.967 13.044 1003 HB2 ALA 131 2HB ALA 131 1.191 -3.589 14.683 1004 HB3 ALA 131 3HB ALA 131 0.430 -2.024 14.410 1005 H TRP 132 H TRP 132 0.537 -5.837 13.371 1006 HA TRP 132 HA TRP 132 0.276 -5.904 10.540 1007 HB2 TRP 132 2HB TRP 132 1.892 -7.318 11.882 1008 HB3 TRP 132 1HB TRP 132 0.527 -8.354 12.309 1009 HD1 TRP 132 HD TRP 132 -0.752 -9.576 10.262 1010 HE1 TRP 132 1HE TRP 132 0.122 -10.345 7.965 1011 HE3 TRP 132 3HE TRP 132 3.590 -6.864 9.998 1012 HZ2 TRP 132 2HZ TRP 132 2.345 -9.879 6.248 1013 HZ3 TRP 132 3HZ TRP 132 5.058 -7.058 8.014 1014 HH2 TRP 132 HH TRP 132 4.446 -8.561 6.141 1015 H ASN 133 H ASN 133 -1.851 -7.021 13.107 1016 HA ASN 133 HA ASN 133 -3.574 -8.705 11.630 1017 HB2 ASN 133 2HB ASN 133 -3.627 -8.064 14.152 1018 HB3 ASN 133 1HB ASN 133 -4.621 -6.705 13.630 1019 HD21 ASN 133 1HD2 ASN 133 -6.401 -7.809 14.910 1020 HD22 ASN 133 2HD2 ASN 133 -7.267 -9.070 14.172 1021 H ILE 134 H ILE 134 -3.530 -5.179 11.961 1022 HA ILE 134 HA ILE 134 -5.838 -4.596 10.416 1023 HB ILE 134 HB ILE 134 -3.265 -3.040 10.716 1024 HG12 ILE 134 2HG1 ILE 134 -5.902 -2.812 12.196 1025 HG13 ILE 134 1HG1 ILE 134 -4.456 -3.592 12.844 1026 HG21 ILE 134 1HG2 ILE 134 -6.024 -2.209 9.797 1027 HG22 ILE 134 2HG2 ILE 134 -4.569 -2.274 8.802 1028 HG23 ILE 134 3HG2 ILE 134 -4.691 -1.100 10.113 1029 HD11 ILE 134 1HD1 ILE 134 -4.198 -1.454 13.712 1030 HD12 ILE 134 2HD1 ILE 134 -4.972 -0.687 12.325 1031 HD13 ILE 134 3HD1 ILE 134 -3.320 -1.288 12.191 1032 H HIS 135 H HIS 135 -2.423 -4.922 9.545 1033 HA HIS 135 HA HIS 135 -2.766 -4.557 6.721 1034 HB2 HIS 135 2HB HIS 135 -0.560 -4.296 7.614 1035 HB3 HIS 135 1HB HIS 135 -0.611 -5.889 8.376 1036 HD1 HIS 135 1HD HIS 135 -1.839 -5.324 4.880 1037 HD2 HIS 135 2HD HIS 135 1.487 -6.963 6.782 1038 HE1 HIS 135 1HE HIS 135 -0.568 -6.581 3.096 1039 HE2 HIS 135 2HE HIS 135 1.485 -7.567 4.235 1040 H LYS 136 H LYS 136 -2.979 -7.361 8.846 1041 HA LYS 136 HA LYS 136 -2.832 -9.427 6.940 1042 HB2 LYS 136 2HB LYS 136 -2.994 -9.751 9.419 1043 HB3 LYS 136 1HB LYS 136 -4.703 -9.356 9.308 1044 HG2 LYS 136 2HG LYS 136 -5.026 -11.219 7.729 1045 HG3 LYS 136 1HG LYS 136 -3.322 -11.632 7.887 1046 HD2 LYS 136 2HD LYS 136 -3.668 -11.942 10.342 1047 HD3 LYS 136 1HD LYS 136 -5.392 -11.659 10.098 1048 HE2 LYS 136 2HE LYS 136 -5.089 -13.556 8.258 1049 HE3 LYS 136 1HE LYS 136 -3.721 -14.002 9.278 1050 HZ1 LYS 136 1HZ LYS 136 -5.370 -15.158 10.299 1051 HZ2 LYS 136 2HZ LYS 136 -6.585 -14.047 9.878 1052 HZ3 LYS 136 3HZ LYS 136 -5.514 -13.698 11.149 1053 H ALA 137 H ALA 137 -5.659 -7.442 7.857 1054 HA ALA 137 HA ALA 137 -7.482 -8.864 6.134 1055 HB1 ALA 137 1HB ALA 137 -7.502 -5.999 7.110 1056 HB2 ALA 137 2HB ALA 137 -8.397 -7.355 7.793 1057 HB3 ALA 137 3HB ALA 137 -8.823 -6.728 6.203 1058 H LEU 138 H LEU 138 -5.246 -6.179 5.692 1059 HA LEU 138 HA LEU 138 -6.003 -5.654 2.944 1060 HB2 LEU 138 2HB LEU 138 -3.415 -5.064 4.406 1061 HB3 LEU 138 1HB LEU 138 -3.911 -4.359 2.871 1062 HG LEU 138 HG LEU 138 -5.371 -4.060 5.510 1063 HD11 LEU 138 1HD1 LEU 138 -4.589 -1.799 5.506 1064 HD12 LEU 138 2HD1 LEU 138 -3.974 -1.945 3.859 1065 HD13 LEU 138 3HD1 LEU 138 -3.176 -2.803 5.177 1066 HD21 LEU 138 1HD2 LEU 138 -6.021 -3.368 2.676 1067 HD22 LEU 138 2HD2 LEU 138 -6.471 -2.206 3.923 1068 HD23 LEU 138 3HD2 LEU 138 -7.098 -3.853 3.985 1069 H ASP 139 H ASP 139 -4.622 -8.242 4.449 1070 HA ASP 139 HA ASP 139 -3.803 -10.246 3.532 1071 HB2 ASP 139 2HB ASP 139 -4.748 -8.957 1.270 1072 HB3 ASP 139 1HB ASP 139 -3.056 -9.268 0.893 1073 H GLY 140 H GLY 140 -1.898 -10.399 4.646 1074 HA2 GLY 140 2HA GLY 140 0.489 -9.112 3.390 1075 HA3 GLY 140 1HA GLY 140 0.326 -9.286 5.138 1076 HA PRO 141 HA PRO 141 0.619 -13.874 3.599 1077 HB2 PRO 141 2HB PRO 141 1.126 -14.156 0.889 1078 HB3 PRO 141 1HB PRO 141 -0.477 -14.282 1.635 1079 HG2 PRO 141 2HG PRO 141 0.769 -12.002 0.196 1080 HG3 PRO 141 1HG PRO 141 -0.912 -12.563 0.189 1081 HD2 PRO 141 2HD PRO 141 -0.135 -10.386 1.609 1082 HD3 PRO 141 1HD PRO 141 -1.434 -11.467 2.165 1083 H SER 142 H SER 142 2.574 -15.042 3.608 1084 HA SER 142 HA SER 142 5.006 -13.412 3.094 1085 HB2 SER 142 2HB SER 142 5.797 -14.411 4.952 1086 HB3 SER 142 1HB SER 142 4.270 -15.271 5.119 1087 HG SER 142 HG SER 142 5.340 -16.993 4.607 1088 HA PRO 143 HA PRO 143 5.646 -17.640 0.665 1089 HB2 PRO 143 2HB PRO 143 2.812 -18.201 -0.010 1090 HB3 PRO 143 1HB PRO 143 4.096 -19.320 0.488 1091 HG2 PRO 143 2HG PRO 143 2.084 -18.641 2.119 1092 HG3 PRO 143 1HG PRO 143 3.719 -18.973 2.716 1093 HD2 PRO 143 2HD PRO 143 2.332 -16.345 2.380 1094 HD3 PRO 143 1HD PRO 143 3.516 -16.850 3.606 1095 H GLY 144 H GLY 144 3.034 -15.374 -0.018 1096 HA2 GLY 144 2HA GLY 144 4.056 -15.111 -2.811 1097 HA3 GLY 144 1HA GLY 144 2.349 -14.924 -2.403 1098 H GLU 145 H GLU 145 5.530 -13.606 -1.507 1099 HA GLU 145 HA GLU 145 4.773 -11.311 -0.166 1100 HB2 GLU 145 2HB GLU 145 6.986 -11.547 -2.207 1101 HB3 GLU 145 1HB GLU 145 6.848 -10.277 -1.002 1102 HG2 GLU 145 2HG GLU 145 6.796 -12.130 0.752 1103 HG3 GLU 145 1HG GLU 145 7.304 -13.223 -0.537 1104 H THR 146 H THR 146 4.669 -9.032 -0.940 1105 HA THR 146 HA THR 146 2.574 -8.618 -2.781 1106 HB THR 146 HB THR 146 4.718 -6.566 -2.271 1107 HG1 THR 146 1HG THR 146 4.214 -6.537 -0.252 1108 HG21 THR 146 1HG2 THR 146 3.124 -5.033 -2.844 1109 HG22 THR 146 2HG2 THR 146 1.813 -5.981 -2.144 1110 HG23 THR 146 3HG2 THR 146 2.458 -6.403 -3.730 1111 H LEU 147 H LEU 147 6.083 -8.399 -3.285 1112 HA LEU 147 HA LEU 147 6.058 -7.403 -5.924 1113 HB2 LEU 147 2HB LEU 147 8.016 -9.410 -4.786 1114 HB3 LEU 147 1HB LEU 147 8.303 -8.279 -6.106 1115 HG LEU 147 HG LEU 147 7.343 -6.763 -3.895 1116 HD11 LEU 147 1HD1 LEU 147 8.882 -7.286 -2.144 1117 HD12 LEU 147 2HD1 LEU 147 9.765 -8.418 -3.167 1118 HD13 LEU 147 3HD1 LEU 147 8.142 -8.818 -2.610 1119 HD21 LEU 147 1HD2 LEU 147 8.887 -6.046 -5.730 1120 HD22 LEU 147 2HD2 LEU 147 10.145 -7.044 -5.005 1121 HD23 LEU 147 3HD2 LEU 147 9.511 -5.653 -4.125 1122 H ALA 148 H ALA 148 5.541 -10.684 -4.740 1123 HA ALA 148 HA ALA 148 5.840 -11.981 -7.284 1124 HB1 ALA 148 1HB ALA 148 5.612 -13.803 -5.997 1125 HB2 ALA 148 2HB ALA 148 3.948 -13.358 -5.616 1126 HB3 ALA 148 3HB ALA 148 5.274 -12.752 -4.623 1127 H ARG 149 H ARG 149 2.860 -11.091 -5.513 1128 HA ARG 149 HA ARG 149 1.173 -11.888 -7.709 1129 HB2 ARG 149 2HB ARG 149 -0.490 -10.377 -6.257 1130 HB3 ARG 149 1HB ARG 149 -0.009 -11.999 -5.756 1131 HG2 ARG 149 2HG ARG 149 1.411 -11.221 -4.109 1132 HG3 ARG 149 1HG ARG 149 1.755 -9.719 -4.968 1133 HD2 ARG 149 2HD ARG 149 0.342 -9.391 -2.925 1134 HD3 ARG 149 1HD ARG 149 -0.428 -8.832 -4.410 1135 HE ARG 149 HE ARG 149 -2.091 -10.457 -4.058 1136 HH11 ARG 149 1HH1 ARG 149 -2.971 -12.275 -3.050 1137 HH12 ARG 149 2HH1 ARG 149 -1.984 -13.225 -1.990 1138 HH21 ARG 149 1HH2 ARG 149 0.832 -11.244 -2.409 1139 HH22 ARG 149 2HH2 ARG 149 0.171 -12.643 -1.630 1140 H PHE 150 H PHE 150 1.838 -8.590 -6.416 1141 HA PHE 150 HA PHE 150 0.358 -7.323 -8.525 1142 HB2 PHE 150 2HB PHE 150 0.606 -5.518 -7.234 1143 HB3 PHE 150 1HB PHE 150 1.562 -6.511 -6.130 1144 HD1 PHE 150 1HD PHE 150 4.056 -6.849 -6.788 1145 HD2 PHE 150 2HD PHE 150 1.587 -3.674 -8.267 1146 HE1 PHE 150 1HE PHE 150 6.079 -5.553 -7.344 1147 HE2 PHE 150 2HE PHE 150 3.613 -2.360 -8.832 1148 HZ PHE 150 HZ PHE 150 5.857 -3.296 -8.375 1149 H ALA 151 H ALA 151 3.835 -8.050 -8.221 1150 HA ALA 151 HA ALA 151 4.553 -6.441 -10.507 1151 HB1 ALA 151 1HB ALA 151 6.062 -7.447 -8.615 1152 HB2 ALA 151 2HB ALA 151 6.713 -7.268 -10.243 1153 HB3 ALA 151 3HB ALA 151 6.148 -8.843 -9.689 1154 H ASN 152 H ASN 152 3.875 -9.903 -10.106 1155 HA ASN 152 HA ASN 152 4.449 -10.701 -12.769 1156 HB2 ASN 152 2HB ASN 152 2.394 -11.801 -10.850 1157 HB3 ASN 152 1HB ASN 152 2.935 -12.614 -12.316 1158 HD21 ASN 152 1HD2 ASN 152 3.315 -13.797 -9.744 1159 HD22 ASN 152 2HD2 ASN 152 4.983 -13.828 -9.408 1160 H VAL 153 H VAL 153 1.404 -9.517 -11.359 1161 HA VAL 153 HA VAL 153 -0.121 -9.856 -13.769 1162 HB VAL 153 HB VAL 153 -1.728 -8.309 -12.654 1163 HG11 VAL 153 1HG1 VAL 153 -0.502 -10.608 -11.120 1164 HG12 VAL 153 2HG1 VAL 153 -1.969 -10.617 -12.101 1165 HG13 VAL 153 3HG1 VAL 153 -1.952 -9.778 -10.549 1166 HG21 VAL 153 1HG2 VAL 153 -0.133 -6.834 -11.555 1167 HG22 VAL 153 2HG2 VAL 153 0.486 -8.183 -10.610 1168 HG23 VAL 153 3HG2 VAL 153 -1.150 -7.596 -10.330 1169 H ILE 154 H ILE 154 1.759 -7.146 -12.473 1170 HA ILE 154 HA ILE 154 0.891 -5.221 -14.390 1171 HB ILE 154 HB ILE 154 3.403 -5.467 -12.753 1172 HG12 ILE 154 2HG1 ILE 154 1.106 -3.494 -12.646 1173 HG13 ILE 154 1HG1 ILE 154 1.218 -4.930 -11.631 1174 HG21 ILE 154 1HG2 ILE 154 3.511 -2.928 -13.524 1175 HG22 ILE 154 2HG2 ILE 154 2.676 -3.574 -14.935 1176 HG23 ILE 154 3HG2 ILE 154 4.255 -4.208 -14.479 1177 HD11 ILE 154 1HD1 ILE 154 3.412 -4.116 -10.781 1178 HD12 ILE 154 2HD1 ILE 154 2.087 -3.014 -10.400 1179 HD13 ILE 154 3HD1 ILE 154 3.197 -2.638 -11.721 1180 HBC 969 201 HBC PDM 155 6.038 -10.083 1.370 1181 HBD 969 201 HBD PDM 155 4.612 -9.800 2.394 1182 HBE 969 201 HBE PDM 155 6.202 -9.172 2.889 1183 HBA 969 201 HBA PDM 155 4.664 -8.289 0.408 1184 HBB 969 201 HBB PDM 155 4.730 -7.386 1.939 1185 HA0 969 201 0HA PDM 155 7.728 -8.443 -0.664 1186 HAY 969 201 HAY PDM 155 7.088 -6.858 -1.163 1187 HAZ 969 201 HAZ PDM 155 5.999 -8.263 -1.044 1188 HBF 969 201 HBF PDM 155 8.106 -8.701 1.183 1189 HAQ 969 201 HAQ PDM 155 5.546 -4.647 -4.213 1190 HAL 969 201 HAL PDM 155 7.392 -4.109 -7.073 1191 HAM 969 201 HAM PDM 155 9.102 -2.315 -7.086 1192 HAN 969 201 HAN PDM 155 10.022 -1.470 -4.951 1193 HAE 969 201 HAE PDM 155 10.258 -1.649 -0.152 1194 HAS 969 201 HAS PDM 155 9.163 -1.809 2.764 1195 HAT 969 201 HAT PDM 155 10.720 -2.217 2.004 1196 HAU 969 201 HAU PDM 155 9.815 -3.463 2.893 1197 HAV 969 201 HAV PDM 155 6.283 -5.909 3.156 Start of MODEL 2 1 H1 MET 1 1HT MET 1 4.818 -13.333 9.896 2 H2 MET 1 2HT MET 1 5.769 -12.720 11.162 3 H3 MET 1 3HT MET 1 6.005 -12.166 9.573 4 HA MET 1 HA MET 1 4.577 -10.532 9.923 5 HB2 MET 1 2HB MET 1 2.156 -11.407 10.644 6 HB3 MET 1 1HB MET 1 2.766 -11.633 9.004 7 HG2 MET 1 2HG MET 1 3.142 -13.891 9.305 8 HG3 MET 1 1HG MET 1 3.449 -13.715 11.034 9 HE1 MET 1 1HE MET 1 0.676 -12.502 8.639 10 HE2 MET 1 2HE MET 1 -0.638 -13.638 8.935 11 HE3 MET 1 3HE MET 1 0.861 -14.207 8.206 12 HA PRO 2 HA PRO 2 5.349 -10.941 14.548 13 HB2 PRO 2 2HB PRO 2 6.680 -8.344 14.086 14 HB3 PRO 2 1HB PRO 2 7.278 -9.781 14.935 15 HG2 PRO 2 2HG PRO 2 8.207 -9.032 12.526 16 HG3 PRO 2 1HG PRO 2 8.112 -10.726 13.036 17 HD2 PRO 2 2HD PRO 2 6.355 -9.228 11.136 18 HD3 PRO 2 1HD PRO 2 6.836 -10.941 11.124 19 H GLU 3 H GLU 3 4.197 -9.801 16.149 20 HA GLU 3 HA GLU 3 1.925 -8.278 15.328 21 HB2 GLU 3 2HB GLU 3 3.258 -8.529 18.040 22 HB3 GLU 3 1HB GLU 3 1.676 -7.804 17.767 23 HG2 GLU 3 2HG GLU 3 0.888 -9.940 16.773 24 HG3 GLU 3 1HG GLU 3 2.459 -10.661 17.127 25 H GLU 4 H GLU 4 5.174 -7.368 16.298 26 HA GLU 4 HA GLU 4 4.436 -4.499 16.346 27 HB2 GLU 4 2HB GLU 4 5.968 -5.459 18.078 28 HB3 GLU 4 1HB GLU 4 7.127 -5.795 16.795 29 HG2 GLU 4 2HG GLU 4 7.137 -3.375 16.204 30 HG3 GLU 4 1HG GLU 4 6.063 -3.069 17.571 31 H ILE 5 H ILE 5 5.114 -3.044 14.771 32 HA ILE 5 HA ILE 5 6.521 -4.229 12.413 33 HB ILE 5 HB ILE 5 5.015 -1.780 11.897 34 HG12 ILE 5 2HG1 ILE 5 3.556 -2.806 13.638 35 HG13 ILE 5 1HG1 ILE 5 2.804 -2.732 12.050 36 HG21 ILE 5 1HG2 ILE 5 5.037 -4.556 10.722 37 HG22 ILE 5 2HG2 ILE 5 5.923 -3.151 10.130 38 HG23 ILE 5 3HG2 ILE 5 4.162 -3.187 10.042 39 HD11 ILE 5 1HD1 ILE 5 4.358 -5.173 12.542 40 HD12 ILE 5 2HD1 ILE 5 2.759 -4.971 11.830 41 HD13 ILE 5 3HD1 ILE 5 2.946 -4.988 13.582 42 HA PRO 6 HA PRO 6 9.211 -0.829 13.901 43 HB2 PRO 6 2HB PRO 6 11.590 -2.097 13.445 44 HB3 PRO 6 1HB PRO 6 10.642 -2.322 14.928 45 HG2 PRO 6 2HG PRO 6 10.975 -4.119 12.611 46 HG3 PRO 6 1HG PRO 6 10.662 -4.503 14.309 47 HD2 PRO 6 2HD PRO 6 8.755 -4.502 12.236 48 HD3 PRO 6 1HD PRO 6 8.404 -4.548 13.977 49 H ASP 7 H ASP 7 10.995 0.349 12.662 50 HA ASP 7 HA ASP 7 10.177 0.794 9.965 51 HB2 ASP 7 2HB ASP 7 12.225 2.207 9.837 52 HB3 ASP 7 1HB ASP 7 11.277 2.533 11.287 53 H VAL 8 H VAL 8 10.698 -0.306 8.153 54 HA VAL 8 HA VAL 8 13.289 -1.755 8.032 55 HB VAL 8 HB VAL 8 11.578 -3.431 8.670 56 HG11 VAL 8 1HG1 VAL 8 9.841 -4.009 6.935 57 HG12 VAL 8 2HG1 VAL 8 10.238 -2.503 6.113 58 HG13 VAL 8 3HG1 VAL 8 9.574 -2.470 7.744 59 HG21 VAL 8 1HG2 VAL 8 13.522 -3.753 6.902 60 HG22 VAL 8 2HG2 VAL 8 12.176 -3.970 5.784 61 HG23 VAL 8 3HG2 VAL 8 12.345 -5.036 7.179 62 H ARG 9 H ARG 9 14.221 -1.699 5.964 63 HA ARG 9 HA ARG 9 12.618 -0.273 3.870 64 HB2 ARG 9 2HB ARG 9 14.416 1.136 4.844 65 HB3 ARG 9 1HB ARG 9 15.601 -0.082 4.367 66 HG2 ARG 9 2HG ARG 9 14.910 0.196 2.000 67 HG3 ARG 9 1HG ARG 9 13.779 1.456 2.493 68 HD2 ARG 9 2HD ARG 9 15.690 2.747 3.447 69 HD3 ARG 9 1HD ARG 9 16.792 1.516 2.828 70 HE ARG 9 HE ARG 9 15.450 3.570 1.242 71 HH11 ARG 9 1HH1 ARG 9 15.973 3.576 -0.958 72 HH12 ARG 9 2HH1 ARG 9 16.777 2.205 -1.646 73 HH21 ARG 9 1HH2 ARG 9 16.891 0.440 1.336 74 HH22 ARG 9 2HH2 ARG 9 17.297 0.429 -0.348 75 H LYS 10 H LYS 10 12.358 -1.417 2.033 76 HA LYS 10 HA LYS 10 14.474 -3.347 1.224 77 HB2 LYS 10 2HB LYS 10 11.510 -3.990 1.335 78 HB3 LYS 10 1HB LYS 10 12.757 -5.036 0.655 79 HG2 LYS 10 2HG LYS 10 13.895 -5.055 2.879 80 HG3 LYS 10 1HG LYS 10 12.550 -4.123 3.538 81 HD2 LYS 10 2HD LYS 10 10.993 -5.941 2.820 82 HD3 LYS 10 1HD LYS 10 12.389 -6.888 2.305 83 HE2 LYS 10 2HE LYS 10 13.189 -6.291 4.803 84 HE3 LYS 10 1HE LYS 10 11.444 -6.246 5.055 85 HZ1 LYS 10 1HZ LYS 10 12.660 -8.490 3.591 86 HZ2 LYS 10 2HZ LYS 10 11.210 -8.444 4.475 87 HZ3 LYS 10 3HZ LYS 10 12.702 -8.472 5.286 88 H SER 11 H SER 11 14.267 -3.911 -1.118 89 HA SER 11 HA SER 11 12.469 -2.234 -2.719 90 HB2 SER 11 2HB SER 11 14.205 -1.042 -3.885 91 HB3 SER 11 1HB SER 11 14.400 -0.759 -2.154 92 HG SER 11 HG SER 11 15.700 -2.983 -3.138 93 H VAL 12 H VAL 12 12.408 -2.861 -4.931 94 HA VAL 12 HA VAL 12 14.104 -5.074 -5.843 95 HB VAL 12 HB VAL 12 11.181 -5.432 -5.232 96 HG11 VAL 12 1HG1 VAL 12 11.523 -7.665 -6.461 97 HG12 VAL 12 2HG1 VAL 12 12.946 -6.913 -7.183 98 HG13 VAL 12 3HG1 VAL 12 11.346 -6.227 -7.467 99 HG21 VAL 12 1HG2 VAL 12 12.582 -6.136 -3.429 100 HG22 VAL 12 2HG2 VAL 12 13.740 -6.881 -4.531 101 HG23 VAL 12 3HG2 VAL 12 12.155 -7.611 -4.294 102 H VAL 13 H VAL 13 13.779 -5.508 -8.135 103 HA VAL 13 HA VAL 13 12.593 -3.157 -9.510 104 HB VAL 13 HB VAL 13 14.496 -5.259 -10.580 105 HG11 VAL 13 1HG1 VAL 13 13.256 -4.263 -12.383 106 HG12 VAL 13 2HG1 VAL 13 14.828 -3.465 -12.351 107 HG13 VAL 13 3HG1 VAL 13 13.413 -2.653 -11.680 108 HG21 VAL 13 1HG2 VAL 13 16.240 -3.966 -9.877 109 HG22 VAL 13 2HG2 VAL 13 15.073 -3.350 -8.705 110 HG23 VAL 13 3HG2 VAL 13 15.376 -2.461 -10.198 111 H VAL 14 H VAL 14 10.894 -3.398 -10.877 112 HA VAL 14 HA VAL 14 9.966 -6.175 -11.467 113 HB VAL 14 HB VAL 14 8.512 -5.283 -9.744 114 HG11 VAL 14 1HG1 VAL 14 8.829 -2.812 -11.354 115 HG12 VAL 14 2HG1 VAL 14 8.641 -3.004 -9.611 116 HG13 VAL 14 3HG1 VAL 14 7.227 -3.074 -10.665 117 HG21 VAL 14 1HG2 VAL 14 7.414 -6.465 -11.657 118 HG22 VAL 14 2HG2 VAL 14 7.163 -4.907 -12.444 119 HG23 VAL 14 3HG2 VAL 14 6.363 -5.259 -10.920 120 H ALA 15 H ALA 15 8.700 -6.332 -13.471 121 HA ALA 15 HA ALA 15 9.742 -4.593 -15.556 122 HB1 ALA 15 1HB ALA 15 7.410 -6.473 -15.892 123 HB2 ALA 15 2HB ALA 15 9.052 -7.098 -15.735 124 HB3 ALA 15 3HB ALA 15 8.640 -6.028 -17.076 125 H ALA 16 H ALA 16 8.944 -2.456 -15.104 126 HA ALA 16 HA ALA 16 6.234 -1.927 -15.970 127 HB1 ALA 16 1HB ALA 16 5.192 -1.364 -13.928 128 HB2 ALA 16 2HB ALA 16 6.725 -1.323 -13.054 129 HB3 ALA 16 3HB ALA 16 6.036 -2.868 -13.554 130 H SER 17 H SER 17 5.761 0.427 -15.805 131 HA SER 17 HA SER 17 8.283 2.008 -15.792 132 HB2 SER 17 2HB SER 17 5.568 2.687 -16.967 133 HB3 SER 17 1HB SER 17 7.024 3.666 -17.111 134 HG SER 17 HG SER 17 6.850 2.408 -18.942 135 H VAL 18 H VAL 18 8.347 3.923 -14.464 136 HA VAL 18 HA VAL 18 7.021 3.789 -11.993 137 HB VAL 18 HB VAL 18 7.859 5.977 -11.562 138 HG11 VAL 18 1HG1 VAL 18 9.423 3.972 -12.717 139 HG12 VAL 18 2HG1 VAL 18 10.015 5.346 -11.782 140 HG13 VAL 18 3HG1 VAL 18 9.929 5.448 -13.538 141 HG21 VAL 18 1HG2 VAL 18 6.896 7.216 -13.384 142 HG22 VAL 18 2HG2 VAL 18 7.808 6.287 -14.573 143 HG23 VAL 18 3HG2 VAL 18 8.643 7.415 -13.506 144 H GLU 19 H GLU 19 6.108 5.609 -14.911 145 HA GLU 19 HA GLU 19 3.790 6.850 -13.791 146 HB2 GLU 19 2HB GLU 19 4.821 7.458 -15.999 147 HB3 GLU 19 1HB GLU 19 4.175 5.955 -16.654 148 HG2 GLU 19 2HG GLU 19 1.885 6.689 -16.008 149 HG3 GLU 19 1HG GLU 19 2.560 8.223 -15.459 150 H HIS 20 H HIS 20 4.317 3.730 -15.380 151 HA HIS 20 HA HIS 20 1.571 2.896 -15.370 152 HB2 HIS 20 2HB HIS 20 3.062 1.647 -16.757 153 HB3 HIS 20 1HB HIS 20 4.164 1.344 -15.409 154 HD1 HIS 20 1HD HIS 20 1.103 0.065 -17.035 155 HD2 HIS 20 2HD HIS 20 3.042 -0.474 -13.373 156 HE1 HIS 20 1HE HIS 20 0.051 -1.963 -15.947 157 HE2 HIS 20 2HE HIS 20 1.236 -2.315 -13.743 158 H CYS 21 H CYS 21 4.238 2.489 -13.095 159 HA CYS 21 HA CYS 21 3.120 0.718 -11.260 160 HB2 CYS 21 2HB CYS 21 4.764 3.199 -10.692 161 HB3 CYS 21 1HB CYS 21 4.546 1.851 -9.583 162 HG CYS 21 HG CYS 21 5.976 0.355 -11.078 163 H PHE 22 H PHE 22 2.712 4.251 -11.396 164 HA PHE 22 HA PHE 22 0.778 4.132 -9.202 165 HB2 PHE 22 2HB PHE 22 2.273 6.226 -10.559 166 HB3 PHE 22 1HB PHE 22 0.582 6.675 -10.283 167 HD1 PHE 22 1HD PHE 22 -0.218 7.164 -8.109 168 HD2 PHE 22 2HD PHE 22 3.602 5.270 -8.622 169 HE1 PHE 22 1HE PHE 22 0.220 7.389 -5.680 170 HE2 PHE 22 2HE PHE 22 4.044 5.502 -6.199 171 HZ PHE 22 HZ PHE 22 2.351 6.551 -4.732 172 H GLU 23 H GLU 23 0.683 4.192 -12.690 173 HA GLU 23 HA GLU 23 -2.001 5.084 -13.008 174 HB2 GLU 23 2HB GLU 23 -0.441 4.712 -14.910 175 HB3 GLU 23 1HB GLU 23 -0.549 2.979 -14.616 176 HG2 GLU 23 2HG GLU 23 -2.996 3.074 -14.977 177 HG3 GLU 23 1HG GLU 23 -2.858 4.796 -15.344 178 H VAL 24 H VAL 24 -0.635 1.871 -12.369 179 HA VAL 24 HA VAL 24 -3.168 0.514 -12.391 180 HB VAL 24 HB VAL 24 -0.582 -0.232 -10.982 181 HG11 VAL 24 1HG1 VAL 24 -1.907 -2.526 -11.743 182 HG12 VAL 24 2HG1 VAL 24 -3.229 -1.471 -11.243 183 HG13 VAL 24 3HG1 VAL 24 -1.922 -1.837 -10.122 184 HG21 VAL 24 1HG2 VAL 24 -0.536 -1.781 -13.106 185 HG22 VAL 24 2HG2 VAL 24 -0.003 -0.107 -13.253 186 HG23 VAL 24 3HG2 VAL 24 -1.618 -0.569 -13.792 187 H PHE 25 H PHE 25 -1.204 1.996 -9.835 188 HA PHE 25 HA PHE 25 -2.635 1.162 -7.555 189 HB2 PHE 25 2HB PHE 25 -1.252 3.773 -8.212 190 HB3 PHE 25 1HB PHE 25 -1.927 3.437 -6.627 191 HD1 PHE 25 1HD PHE 25 0.481 3.888 -5.931 192 HD2 PHE 25 2HD PHE 25 -0.654 0.445 -8.255 193 HE1 PHE 25 1HE PHE 25 2.570 2.747 -5.276 194 HE2 PHE 25 2HE PHE 25 1.426 -0.685 -7.587 195 HZ PHE 25 HZ PHE 25 3.032 0.455 -6.102 196 H THR 26 H THR 26 -3.233 4.025 -9.608 197 HA THR 26 HA THR 26 -5.685 4.566 -8.119 198 HB THR 26 HB THR 26 -5.887 6.484 -9.758 199 HG1 THR 26 1HG THR 26 -3.424 5.347 -10.537 200 HG21 THR 26 1HG2 THR 26 -3.542 7.431 -8.797 201 HG22 THR 26 2HG2 THR 26 -3.747 6.025 -7.751 202 HG23 THR 26 3HG2 THR 26 -4.993 7.277 -7.803 203 H SER 27 H SER 27 -4.947 2.475 -10.587 204 HA SER 27 HA SER 27 -7.532 2.876 -11.980 205 HB2 SER 27 2HB SER 27 -5.410 2.393 -13.257 206 HB3 SER 27 1HB SER 27 -5.429 0.787 -12.546 207 HG SER 27 HG SER 27 -6.940 1.862 -14.559 208 H ARG 28 H ARG 28 -5.860 -0.084 -10.782 209 HA ARG 28 HA ARG 28 -8.191 -0.805 -9.156 210 HB2 ARG 28 2HB ARG 28 -8.558 -2.952 -10.431 211 HB3 ARG 28 1HB ARG 28 -9.098 -1.503 -11.267 212 HG2 ARG 28 2HG ARG 28 -6.274 -2.371 -11.717 213 HG3 ARG 28 1HG ARG 28 -7.536 -3.354 -12.451 214 HD2 ARG 28 2HD ARG 28 -8.029 -0.511 -12.864 215 HD3 ARG 28 1HD ARG 28 -6.459 -1.002 -13.493 216 HE ARG 28 HE ARG 28 -9.073 -1.891 -14.495 217 HH11 ARG 28 1HH1 ARG 28 -8.972 -3.139 -16.377 218 HH12 ARG 28 2HH1 ARG 28 -7.446 -3.766 -16.903 219 HH21 ARG 28 1HH2 ARG 28 -5.667 -2.377 -14.270 220 HH22 ARG 28 2HH2 ARG 28 -5.574 -3.335 -15.710 221 HA PRO 29 HA PRO 29 -3.989 -2.615 -8.036 222 HB2 PRO 29 2HB PRO 29 -4.396 -2.070 -5.306 223 HB3 PRO 29 1HB PRO 29 -3.365 -1.161 -6.421 224 HG2 PRO 29 2HG PRO 29 -6.020 -0.510 -5.372 225 HG3 PRO 29 1HG PRO 29 -4.765 0.553 -6.017 226 HD2 PRO 29 2HD PRO 29 -7.103 -0.106 -7.345 227 HD3 PRO 29 1HD PRO 29 -5.628 0.480 -8.139 228 H ALA 30 H ALA 30 -7.218 -2.982 -6.632 229 HA ALA 30 HA ALA 30 -6.598 -5.458 -5.250 230 HB1 ALA 30 1HB ALA 30 -9.334 -4.613 -6.211 231 HB2 ALA 30 2HB ALA 30 -8.578 -3.904 -4.788 232 HB3 ALA 30 3HB ALA 30 -8.935 -5.627 -4.826 233 H ASP 31 H ASP 31 -7.963 -4.644 -8.407 234 HA ASP 31 HA ASP 31 -8.760 -7.210 -9.247 235 HB2 ASP 31 2HB ASP 31 -9.189 -5.126 -10.519 236 HB3 ASP 31 1HB ASP 31 -7.481 -5.065 -10.960 237 H TRP 32 H TRP 32 -5.567 -6.117 -8.569 238 HA TRP 32 HA TRP 32 -3.948 -7.470 -10.377 239 HB2 TRP 32 2HB TRP 32 -3.687 -7.270 -7.371 240 HB3 TRP 32 1HB TRP 32 -2.452 -8.021 -8.368 241 HD1 TRP 32 HD TRP 32 -2.558 -5.844 -10.790 242 HE1 TRP 32 1HE TRP 32 -1.513 -3.538 -10.375 243 HE3 TRP 32 3HE TRP 32 -2.623 -5.751 -5.702 244 HZ2 TRP 32 2HZ TRP 32 -0.788 -1.867 -8.168 245 HZ3 TRP 32 3HZ TRP 32 -1.752 -3.802 -4.469 246 HH2 TRP 32 HH TRP 32 -0.833 -1.862 -5.684 247 H TRP 33 H TRP 33 -5.829 -8.887 -7.707 248 HA TRP 33 HA TRP 33 -4.840 -11.574 -8.328 249 HB2 TRP 33 2HB TRP 33 -5.410 -11.760 -6.150 250 HB3 TRP 33 1HB TRP 33 -6.409 -10.308 -6.216 251 HD1 TRP 33 HD TRP 33 -6.574 -14.072 -6.427 252 HE1 TRP 33 1HE TRP 33 -9.040 -14.816 -6.560 253 HE3 TRP 33 3HE TRP 33 -8.828 -9.539 -7.102 254 HZ2 TRP 33 2HZ TRP 33 -11.625 -13.642 -6.906 255 HZ3 TRP 33 3HZ TRP 33 -11.291 -9.380 -7.330 256 HH2 TRP 33 HH TRP 33 -12.690 -11.425 -7.234 257 HA PRO 34 HA PRO 34 -8.098 -12.017 -11.428 258 HB2 PRO 34 2HB PRO 34 -7.559 -14.569 -12.195 259 HB3 PRO 34 1HB PRO 34 -6.556 -13.191 -12.687 260 HG2 PRO 34 2HG PRO 34 -6.074 -15.223 -10.572 261 HG3 PRO 34 1HG PRO 34 -4.931 -14.464 -11.693 262 HD2 PRO 34 2HD PRO 34 -5.229 -13.706 -9.053 263 HD3 PRO 34 1HD PRO 34 -4.607 -12.640 -10.331 264 HA PRO 35 HA PRO 35 -11.495 -14.000 -9.424 265 HB2 PRO 35 2HB PRO 35 -12.649 -15.353 -11.581 266 HB3 PRO 35 1HB PRO 35 -12.936 -13.656 -11.158 267 HG2 PRO 35 2HG PRO 35 -11.163 -14.817 -13.230 268 HG3 PRO 35 1HG PRO 35 -12.086 -13.305 -13.245 269 HD2 PRO 35 2HD PRO 35 -9.396 -13.355 -12.854 270 HD3 PRO 35 1HD PRO 35 -10.443 -12.130 -12.101 271 H SER 36 H SER 36 -11.786 -15.909 -8.293 272 HA SER 36 HA SER 36 -10.914 -18.467 -9.468 273 HB2 SER 36 2HB SER 36 -8.852 -17.496 -8.438 274 HB3 SER 36 1HB SER 36 -9.689 -17.446 -6.888 275 HG SER 36 HG SER 36 -8.378 -19.360 -7.290 276 H HIS 37 H HIS 37 -11.572 -20.309 -8.081 277 HA HIS 37 HA HIS 37 -14.119 -19.728 -6.740 278 HB2 HIS 37 2HB HIS 37 -12.643 -22.351 -7.142 279 HB3 HIS 37 1HB HIS 37 -14.296 -22.186 -6.547 280 HD1 HIS 37 1HD HIS 37 -15.950 -20.817 -8.288 281 HD2 HIS 37 2HD HIS 37 -12.508 -22.537 -9.900 282 HE1 HIS 37 1HE HIS 37 -16.321 -20.957 -10.792 283 HE2 HIS 37 2HE HIS 37 -14.233 -22.002 -11.782 284 H VAL 38 H VAL 38 -11.004 -19.505 -5.781 285 HA VAL 38 HA VAL 38 -11.487 -20.603 -3.053 286 HB VAL 38 HB VAL 38 -8.914 -19.575 -4.291 287 HG11 VAL 38 1HG1 VAL 38 -7.844 -20.622 -2.369 288 HG12 VAL 38 2HG1 VAL 38 -9.396 -21.228 -1.793 289 HG13 VAL 38 3HG1 VAL 38 -9.071 -19.495 -1.793 290 HG21 VAL 38 1HG2 VAL 38 -8.322 -21.980 -4.457 291 HG22 VAL 38 2HG2 VAL 38 -9.733 -21.593 -5.441 292 HG23 VAL 38 3HG2 VAL 38 -9.936 -22.407 -3.889 293 H LEU 39 H LEU 39 -11.526 -19.221 -1.277 294 HA LEU 39 HA LEU 39 -12.209 -16.477 -1.717 295 HB2 LEU 39 2HB LEU 39 -11.402 -18.002 0.770 296 HB3 LEU 39 1HB LEU 39 -11.838 -16.294 0.811 297 HG LEU 39 HG LEU 39 -13.765 -17.787 1.332 298 HD11 LEU 39 1HD1 LEU 39 -15.196 -16.341 0.320 299 HD12 LEU 39 2HD1 LEU 39 -14.563 -16.690 -1.289 300 HD13 LEU 39 3HD1 LEU 39 -13.723 -15.547 -0.239 301 HD21 LEU 39 1HD2 LEU 39 -12.914 -19.589 -0.308 302 HD22 LEU 39 2HD2 LEU 39 -13.682 -18.623 -1.570 303 HD23 LEU 39 3HD2 LEU 39 -14.652 -19.300 -0.262 304 H VAL 40 H VAL 40 -10.987 -14.580 -1.314 305 HA VAL 40 HA VAL 40 -8.106 -14.907 -1.798 306 HB VAL 40 HB VAL 40 -8.147 -12.406 -1.981 307 HG11 VAL 40 1HG1 VAL 40 -9.161 -12.410 -4.090 308 HG12 VAL 40 2HG1 VAL 40 -10.439 -13.513 -3.579 309 HG13 VAL 40 3HG1 VAL 40 -8.801 -14.118 -3.835 310 HG21 VAL 40 1HG2 VAL 40 -11.125 -12.434 -1.917 311 HG22 VAL 40 2HG2 VAL 40 -10.008 -11.146 -1.472 312 HG23 VAL 40 3HG2 VAL 40 -10.308 -12.476 -0.357 313 H LYS 41 H LYS 41 -6.469 -14.308 -0.328 314 HA LYS 41 HA LYS 41 -7.027 -14.617 2.448 315 HB2 LYS 41 2HB LYS 41 -4.799 -15.004 1.380 316 HB3 LYS 41 1HB LYS 41 -4.624 -13.259 1.218 317 HG2 LYS 41 2HG LYS 41 -4.861 -13.015 3.672 318 HG3 LYS 41 1HG LYS 41 -4.980 -14.769 3.820 319 HD2 LYS 41 2HD LYS 41 -2.733 -14.970 2.747 320 HD3 LYS 41 1HD LYS 41 -2.610 -13.210 2.748 321 HE2 LYS 41 2HE LYS 41 -3.282 -14.553 5.331 322 HE3 LYS 41 1HE LYS 41 -1.621 -14.673 4.751 323 HZ1 LYS 41 1HZ LYS 41 -2.653 -12.584 6.125 324 HZ2 LYS 41 2HZ LYS 41 -2.731 -12.032 4.519 325 HZ3 LYS 41 3HZ LYS 41 -1.246 -12.532 5.179 326 H LYS 42 H LYS 42 -6.609 -11.716 0.459 327 HA LYS 42 HA LYS 42 -7.154 -10.020 2.830 328 HB2 LYS 42 2HB LYS 42 -6.195 -8.266 1.674 329 HB3 LYS 42 1HB LYS 42 -5.376 -9.600 0.873 330 HG2 LYS 42 2HG LYS 42 -7.879 -8.216 -0.151 331 HG3 LYS 42 1HG LYS 42 -6.251 -7.962 -0.756 332 HD2 LYS 42 2HD LYS 42 -6.103 -10.154 -1.630 333 HD3 LYS 42 1HD LYS 42 -7.493 -10.702 -0.701 334 HE2 LYS 42 2HE LYS 42 -8.168 -10.368 -3.021 335 HE3 LYS 42 1HE LYS 42 -8.945 -9.152 -2.007 336 HZ1 LYS 42 1HZ LYS 42 -7.934 -7.553 -3.130 337 HZ2 LYS 42 2HZ LYS 42 -7.331 -8.718 -4.209 338 HZ3 LYS 42 3HZ LYS 42 -6.408 -8.242 -2.864 339 H GLU 43 H GLU 43 -8.862 -8.227 2.451 340 HA GLU 43 HA GLU 43 -11.141 -9.411 0.918 341 HB2 GLU 43 2HB GLU 43 -11.173 -7.717 3.419 342 HB3 GLU 43 1HB GLU 43 -12.599 -8.312 2.580 343 HG2 GLU 43 2HG GLU 43 -11.806 -10.643 2.933 344 HG3 GLU 43 1HG GLU 43 -10.436 -10.012 3.850 345 H ARG 44 H ARG 44 -11.061 -8.253 -0.989 346 HA ARG 44 HA ARG 44 -11.380 -5.298 -0.733 347 HB2 ARG 44 2HB ARG 44 -9.656 -6.802 -2.714 348 HB3 ARG 44 1HB ARG 44 -10.165 -5.131 -2.965 349 HG2 ARG 44 2HG ARG 44 -9.148 -4.509 -0.789 350 HG3 ARG 44 1HG ARG 44 -8.593 -6.166 -0.587 351 HD2 ARG 44 2HD ARG 44 -7.394 -5.898 -2.824 352 HD3 ARG 44 1HD ARG 44 -7.749 -4.176 -2.696 353 HE ARG 44 HE ARG 44 -6.539 -4.924 -0.264 354 HH11 ARG 44 1HH1 ARG 44 -4.325 -4.593 0.046 355 HH12 ARG 44 2HH1 ARG 44 -3.285 -4.442 -1.330 356 HH21 ARG 44 1HH2 ARG 44 -5.843 -4.832 -3.639 357 HH22 ARG 44 2HH2 ARG 44 -4.145 -4.578 -3.417 358 H ALA 45 H ALA 45 -12.958 -4.415 -2.070 359 HA ALA 45 HA ALA 45 -14.366 -6.285 -3.926 360 HB1 ALA 45 1HB ALA 45 -15.379 -5.553 -1.473 361 HB2 ALA 45 2HB ALA 45 -16.359 -6.046 -2.855 362 HB3 ALA 45 3HB ALA 45 -16.079 -4.333 -2.536 363 H GLY 46 H GLY 46 -14.039 -2.912 -2.851 364 HA2 GLY 46 2HA GLY 46 -14.029 -2.070 -5.705 365 HA3 GLY 46 1HA GLY 46 -15.153 -1.283 -4.598 366 H LEU 47 H LEU 47 -13.233 0.308 -5.820 367 HA LEU 47 HA LEU 47 -11.638 1.089 -3.458 368 HB2 LEU 47 2HB LEU 47 -10.388 0.537 -6.164 369 HB3 LEU 47 1HB LEU 47 -9.572 1.313 -4.810 370 HG LEU 47 HG LEU 47 -10.292 -0.814 -3.471 371 HD11 LEU 47 1HD1 LEU 47 -9.963 -2.449 -5.846 372 HD12 LEU 47 2HD1 LEU 47 -11.399 -1.442 -5.983 373 HD13 LEU 47 3HD1 LEU 47 -11.215 -2.529 -4.609 374 HD21 LEU 47 1HD2 LEU 47 -7.953 -0.111 -4.230 375 HD22 LEU 47 2HD2 LEU 47 -8.187 -1.185 -5.608 376 HD23 LEU 47 3HD2 LEU 47 -8.194 -1.835 -3.970 377 H ALA 48 H ALA 48 -11.529 3.265 -3.262 378 HA ALA 48 HA ALA 48 -12.401 4.904 -5.601 379 HB1 ALA 48 1HB ALA 48 -12.140 6.204 -2.951 380 HB2 ALA 48 2HB ALA 48 -13.386 4.961 -3.042 381 HB3 ALA 48 3HB ALA 48 -13.432 6.338 -4.142 382 H PHE 49 H PHE 49 -10.886 6.342 -6.454 383 HA PHE 49 HA PHE 49 -8.337 6.674 -4.928 384 HB2 PHE 49 2HB PHE 49 -8.812 5.348 -7.506 385 HB3 PHE 49 1HB PHE 49 -7.509 6.534 -7.529 386 HD1 PHE 49 1HD PHE 49 -8.538 3.241 -6.461 387 HD2 PHE 49 2HD PHE 49 -5.658 6.355 -5.818 388 HE1 PHE 49 1HE PHE 49 -7.000 1.599 -5.417 389 HE2 PHE 49 2HE PHE 49 -4.121 4.719 -4.762 390 HZ PHE 49 HZ PHE 49 -4.787 2.338 -4.582 391 H GLU 50 H GLU 50 -7.744 8.775 -4.839 392 HA GLU 50 HA GLU 50 -8.536 10.547 -7.107 393 HB2 GLU 50 2HB GLU 50 -9.019 10.876 -4.194 394 HB3 GLU 50 1HB GLU 50 -8.580 12.314 -5.108 395 HG2 GLU 50 2HG GLU 50 -11.059 11.826 -4.904 396 HG3 GLU 50 1HG GLU 50 -10.465 12.077 -6.547 397 HA PRO 51 HA PRO 51 -4.129 11.504 -6.651 398 HB2 PRO 51 2HB PRO 51 -3.832 13.222 -8.678 399 HB3 PRO 51 1HB PRO 51 -4.248 11.524 -8.994 400 HG2 PRO 51 2HG PRO 51 -6.012 13.930 -8.977 401 HG3 PRO 51 1HG PRO 51 -5.982 12.564 -10.106 402 HD2 PRO 51 2HD PRO 51 -7.765 12.800 -7.982 403 HD3 PRO 51 1HD PRO 51 -7.320 11.271 -8.776 404 H PHE 52 H PHE 52 -2.926 13.093 -5.509 405 HA PHE 52 HA PHE 52 -3.120 15.835 -5.505 406 HB2 PHE 52 2HB PHE 52 -4.583 16.146 -3.344 407 HB3 PHE 52 1HB PHE 52 -5.361 16.075 -4.916 408 HD1 PHE 52 1HD PHE 52 -7.446 15.451 -3.607 409 HD2 PHE 52 2HD PHE 52 -3.983 12.900 -3.693 410 HE1 PHE 52 1HE PHE 52 -8.810 13.534 -2.817 411 HE2 PHE 52 2HE PHE 52 -5.357 11.006 -2.938 412 HZ PHE 52 HZ PHE 52 -7.743 11.308 -2.485 413 H VAL 53 H VAL 53 -2.553 16.861 -3.279 414 HA VAL 53 HA VAL 53 -0.428 15.218 -2.052 415 HB VAL 53 HB VAL 53 -1.191 18.111 -1.603 416 HG11 VAL 53 1HG1 VAL 53 1.562 17.163 -1.117 417 HG12 VAL 53 2HG1 VAL 53 0.350 16.547 0.007 418 HG13 VAL 53 3HG1 VAL 53 0.578 18.285 -0.179 419 HG21 VAL 53 1HG2 VAL 53 1.251 17.955 -2.960 420 HG22 VAL 53 2HG2 VAL 53 -0.295 18.456 -3.644 421 HG23 VAL 53 3HG2 VAL 53 0.217 16.772 -3.763 422 H GLY 54 H GLY 54 -0.550 14.553 0.161 423 HA2 GLY 54 2HA GLY 54 -1.668 14.060 2.199 424 HA3 GLY 54 1HA GLY 54 -2.581 15.565 1.968 425 H GLY 55 H GLY 55 -2.269 13.139 -0.433 426 HA2 GLY 55 2HA GLY 55 -5.057 13.003 -0.974 427 HA3 GLY 55 1HA GLY 55 -3.794 11.990 -1.669 428 H ARG 56 H ARG 56 -6.080 10.701 -1.351 429 HA ARG 56 HA ARG 56 -5.424 8.869 0.890 430 HB2 ARG 56 2HB ARG 56 -8.132 10.190 0.567 431 HB3 ARG 56 1HB ARG 56 -7.793 8.853 1.664 432 HG2 ARG 56 2HG ARG 56 -6.039 10.267 2.761 433 HG3 ARG 56 1HG ARG 56 -6.545 11.613 1.740 434 HD2 ARG 56 2HD ARG 56 -8.877 11.326 2.649 435 HD3 ARG 56 1HD ARG 56 -8.224 10.151 3.790 436 HE ARG 56 HE ARG 56 -6.625 12.301 4.262 437 HH11 ARG 56 1HH1 ARG 56 -7.134 14.032 5.625 438 HH12 ARG 56 2HH1 ARG 56 -8.795 14.438 5.902 439 HH21 ARG 56 1HH2 ARG 56 -10.028 11.920 3.861 440 HH22 ARG 56 2HH2 ARG 56 -10.433 13.242 4.904 441 H TYR 57 H TYR 57 -6.106 6.756 0.542 442 HA TYR 57 HA TYR 57 -7.529 6.225 -2.031 443 HB2 TYR 57 2HB TYR 57 -5.440 4.460 -0.714 444 HB3 TYR 57 1HB TYR 57 -6.251 4.148 -2.246 445 HD1 TYR 57 1HD TYR 57 -6.187 6.743 -3.634 446 HD2 TYR 57 2HD TYR 57 -3.195 4.878 -1.170 447 HE1 TYR 57 1HE TYR 57 -4.437 8.038 -4.786 448 HE2 TYR 57 2HE TYR 57 -1.438 6.171 -2.344 449 HH TYR 57 HH TYR 57 -2.030 8.840 -4.171 450 H TYR 58 H TYR 58 -9.256 4.850 -1.909 451 HA TYR 58 HA TYR 58 -9.941 3.840 0.824 452 HB2 TYR 58 2HB TYR 58 -11.890 4.580 -1.361 453 HB3 TYR 58 1HB TYR 58 -12.219 4.359 0.358 454 HD1 TYR 58 1HD TYR 58 -10.115 6.449 -1.964 455 HD2 TYR 58 2HD TYR 58 -12.244 6.219 1.770 456 HE1 TYR 58 1HE TYR 58 -9.657 8.847 -1.548 457 HE2 TYR 58 2HE TYR 58 -11.780 8.620 2.178 458 HH TYR 58 HH TYR 58 -11.043 10.739 0.036 459 H GLU 59 H GLU 59 -10.656 1.739 1.009 460 HA GLU 59 HA GLU 59 -10.933 0.155 -1.512 461 HB2 GLU 59 2HB GLU 59 -9.745 -1.686 -0.507 462 HB3 GLU 59 1HB GLU 59 -8.740 -0.252 -0.315 463 HG2 GLU 59 2HG GLU 59 -9.715 0.044 1.984 464 HG3 GLU 59 1HG GLU 59 -10.530 -1.508 1.782 465 H TRP 60 H TRP 60 -12.587 -1.356 -1.502 466 HA TRP 60 HA TRP 60 -14.419 -1.221 0.853 467 HB2 TRP 60 2HB TRP 60 -14.775 -1.518 -2.075 468 HB3 TRP 60 1HB TRP 60 -15.839 -2.513 -1.079 469 HD1 TRP 60 HD TRP 60 -17.034 -0.995 1.033 470 HE1 TRP 60 1HE TRP 60 -18.177 1.308 0.776 471 HE3 TRP 60 3HE TRP 60 -14.922 0.560 -3.338 472 HZ2 TRP 60 2HZ TRP 60 -18.174 3.524 -1.055 473 HZ3 TRP 60 3HZ TRP 60 -15.493 2.751 -4.319 474 HH2 TRP 60 HH TRP 60 -17.109 4.232 -3.190 475 H ASP 61 H ASP 61 -14.669 -3.062 2.068 476 HA ASP 61 HA ASP 61 -13.446 -5.571 0.985 477 HB2 ASP 61 2HB ASP 61 -14.080 -4.816 3.850 478 HB3 ASP 61 1HB ASP 61 -13.307 -6.309 3.329 479 H ILE 62 H ILE 62 -14.720 -7.373 0.784 480 HA ILE 62 HA ILE 62 -17.490 -7.093 0.426 481 HB ILE 62 HB ILE 62 -16.678 -9.765 1.342 482 HG12 ILE 62 2HG1 ILE 62 -15.375 -9.978 -0.919 483 HG13 ILE 62 1HG1 ILE 62 -15.127 -8.248 -0.725 484 HG21 ILE 62 1HG2 ILE 62 -17.742 -8.663 -1.265 485 HG22 ILE 62 2HG2 ILE 62 -18.732 -9.274 0.060 486 HG23 ILE 62 3HG2 ILE 62 -17.668 -10.369 -0.824 487 HD11 ILE 62 1HD1 ILE 62 -13.973 -10.495 0.797 488 HD12 ILE 62 2HD1 ILE 62 -14.530 -9.141 1.779 489 HD13 ILE 62 3HD1 ILE 62 -13.329 -8.878 0.513 490 H ASP 63 H ASP 63 -15.690 -7.727 3.362 491 HA ASP 63 HA ASP 63 -18.261 -8.038 4.844 492 HB2 ASP 63 2HB ASP 63 -15.396 -8.622 5.654 493 HB3 ASP 63 1HB ASP 63 -16.783 -8.776 6.734 494 H GLY 64 H GLY 64 -15.644 -5.882 4.225 495 HA2 GLY 64 2HA GLY 64 -16.518 -4.153 6.493 496 HA3 GLY 64 1HA GLY 64 -14.913 -4.085 5.776 497 H THR 65 H THR 65 -17.310 -2.184 6.062 498 HA THR 65 HA THR 65 -18.316 -1.483 3.496 499 HB THR 65 HB THR 65 -19.011 -0.639 5.847 500 HG1 THR 65 1HG THR 65 -19.546 1.461 4.860 501 HG21 THR 65 1HG2 THR 65 -17.264 1.712 5.357 502 HG22 THR 65 2HG2 THR 65 -16.479 0.272 6.009 503 HG23 THR 65 3HG2 THR 65 -17.821 1.015 6.876 504 H GLU 66 H GLU 66 -17.471 1.350 3.481 505 HA GLU 66 HA GLU 66 -15.039 1.019 1.873 506 HB2 GLU 66 2HB GLU 66 -17.010 2.716 1.504 507 HB3 GLU 66 1HB GLU 66 -16.159 3.682 2.698 508 HG2 GLU 66 2HG GLU 66 -14.092 3.471 1.320 509 HG3 GLU 66 1HG GLU 66 -15.052 2.665 0.083 510 H ILE 67 H ILE 67 -12.983 1.385 2.620 511 HA ILE 67 HA ILE 67 -12.663 2.860 5.193 512 HB ILE 67 HB ILE 67 -11.316 0.228 4.541 513 HG12 ILE 67 2HG1 ILE 67 -13.451 0.820 6.601 514 HG13 ILE 67 1HG1 ILE 67 -13.775 0.055 5.045 515 HG21 ILE 67 1HG2 ILE 67 -10.816 2.341 6.467 516 HG22 ILE 67 2HG2 ILE 67 -9.855 0.903 6.120 517 HG23 ILE 67 3HG2 ILE 67 -11.181 0.820 7.280 518 HD11 ILE 67 1HD1 ILE 67 -11.564 -1.162 6.562 519 HD12 ILE 67 2HD1 ILE 67 -12.892 -1.930 5.694 520 HD13 ILE 67 3HD1 ILE 67 -13.147 -1.315 7.326 521 H VAL 68 H VAL 68 -10.600 3.859 5.456 522 HA VAL 68 HA VAL 68 -9.089 4.177 2.903 523 HB VAL 68 HB VAL 68 -8.884 5.793 5.467 524 HG11 VAL 68 1HG1 VAL 68 -7.978 6.444 2.648 525 HG12 VAL 68 2HG1 VAL 68 -6.913 5.795 3.896 526 HG13 VAL 68 3HG1 VAL 68 -7.658 7.380 4.109 527 HG21 VAL 68 1HG2 VAL 68 -11.006 5.727 3.629 528 HG22 VAL 68 2HG2 VAL 68 -10.059 7.146 3.179 529 HG23 VAL 68 3HG2 VAL 68 -10.686 6.988 4.820 530 H TRP 69 H TRP 69 -7.162 3.084 2.749 531 HA TRP 69 HA TRP 69 -6.030 2.004 5.302 532 HB2 TRP 69 2HB TRP 69 -5.306 0.119 4.153 533 HB3 TRP 69 1HB TRP 69 -6.815 0.487 3.320 534 HD1 TRP 69 HD TRP 69 -3.018 0.772 2.914 535 HE1 TRP 69 1HE TRP 69 -2.481 1.120 0.418 536 HE3 TRP 69 3HE TRP 69 -7.745 1.303 1.060 537 HZ2 TRP 69 2HZ TRP 69 -3.872 1.556 -2.042 538 HZ3 TRP 69 3HZ TRP 69 -8.103 1.676 -1.363 539 HH2 TRP 69 HH TRP 69 -6.185 1.804 -2.909 540 H GLY 70 H GLY 70 -5.423 4.503 3.195 541 HA2 GLY 70 2HA GLY 70 -2.663 4.651 4.149 542 HA3 GLY 70 1HA GLY 70 -2.795 4.404 2.413 543 H ARG 71 H ARG 71 -1.552 6.613 2.965 544 HA ARG 71 HA ARG 71 -3.485 8.758 2.294 545 HB2 ARG 71 2HB ARG 71 -2.527 8.591 4.874 546 HB3 ARG 71 1HB ARG 71 -1.332 9.635 4.109 547 HG2 ARG 71 2HG ARG 71 -3.258 11.001 3.190 548 HG3 ARG 71 1HG ARG 71 -4.317 10.074 4.253 549 HD2 ARG 71 2HD ARG 71 -1.951 11.763 5.118 550 HD3 ARG 71 1HD ARG 71 -3.652 12.159 5.354 551 HE ARG 71 HE ARG 71 -2.814 9.601 6.528 552 HH11 ARG 71 1HH1 ARG 71 -2.999 9.504 8.779 553 HH12 ARG 71 2HH1 ARG 71 -3.267 10.962 9.676 554 HH21 ARG 71 1HH2 ARG 71 -3.285 12.999 6.871 555 HH22 ARG 71 2HH2 ARG 71 -3.429 12.940 8.596 556 H ILE 72 H ILE 72 -1.911 10.815 1.819 557 HA ILE 72 HA ILE 72 0.495 9.803 0.388 558 HB ILE 72 HB ILE 72 -1.725 11.509 -0.717 559 HG12 ILE 72 2HG1 ILE 72 -1.255 9.918 -2.688 560 HG13 ILE 72 1HG1 ILE 72 -0.291 8.982 -1.548 561 HG21 ILE 72 1HG2 ILE 72 1.154 11.368 -1.610 562 HG22 ILE 72 2HG2 ILE 72 0.208 12.809 -1.230 563 HG23 ILE 72 3HG2 ILE 72 -0.150 11.874 -2.682 564 HD11 ILE 72 1HD1 ILE 72 -2.168 8.009 -0.786 565 HD12 ILE 72 2HD1 ILE 72 -3.138 8.987 -1.887 566 HD13 ILE 72 3HD1 ILE 72 -2.770 9.580 -0.273 567 H LEU 73 H LEU 73 2.084 11.587 -0.057 568 HA LEU 73 HA LEU 73 1.842 13.760 1.982 569 HB2 LEU 73 2HB LEU 73 4.189 12.146 1.019 570 HB3 LEU 73 1HB LEU 73 4.433 13.736 1.738 571 HG LEU 73 HG LEU 73 2.665 11.769 3.150 572 HD11 LEU 73 1HD1 LEU 73 5.681 11.823 3.430 573 HD12 LEU 73 2HD1 LEU 73 4.802 10.584 2.536 574 HD13 LEU 73 3HD1 LEU 73 4.552 10.760 4.272 575 HD21 LEU 73 1HD2 LEU 73 2.975 13.179 4.930 576 HD22 LEU 73 2HD2 LEU 73 3.385 14.336 3.667 577 HD23 LEU 73 3HD2 LEU 73 4.664 13.480 4.526 578 H GLU 74 H GLU 74 3.148 12.955 -1.223 579 HA GLU 74 HA GLU 74 2.263 15.367 -2.465 580 HB2 GLU 74 2HB GLU 74 4.053 16.357 -0.991 581 HB3 GLU 74 1HB GLU 74 5.232 15.333 -1.812 582 HG2 GLU 74 2HG GLU 74 4.581 16.374 -3.978 583 HG3 GLU 74 1HG GLU 74 3.484 17.447 -3.107 584 H TRP 75 H TRP 75 2.885 15.363 -4.746 585 HA TRP 75 HA TRP 75 4.034 12.744 -5.598 586 HB2 TRP 75 2HB TRP 75 2.787 13.010 -7.660 587 HB3 TRP 75 1HB TRP 75 1.684 13.273 -6.307 588 HD1 TRP 75 HD TRP 75 1.272 15.926 -5.633 589 HE1 TRP 75 1HE TRP 75 1.081 17.973 -7.189 590 HE3 TRP 75 3HE TRP 75 3.488 14.049 -9.833 591 HZ2 TRP 75 2HZ TRP 75 1.776 18.715 -9.863 592 HZ3 TRP 75 3HZ TRP 75 3.709 15.445 -11.868 593 HH2 TRP 75 HH TRP 75 2.857 17.774 -11.889 594 H ASP 76 H ASP 76 5.942 12.755 -6.704 595 HA ASP 76 HA ASP 76 7.065 15.404 -7.462 596 HB2 ASP 76 2HB ASP 76 8.207 13.476 -5.964 597 HB3 ASP 76 1HB ASP 76 8.757 12.975 -7.563 598 HA PRO 77 HA PRO 77 5.782 14.304 -11.672 599 HB2 PRO 77 2HB PRO 77 7.955 16.255 -12.298 600 HB3 PRO 77 1HB PRO 77 6.313 16.143 -12.946 601 HG2 PRO 77 2HG PRO 77 6.994 17.948 -11.090 602 HG3 PRO 77 1HG PRO 77 5.385 17.214 -11.161 603 HD2 PRO 77 2HD PRO 77 7.554 16.772 -9.195 604 HD3 PRO 77 1HD PRO 77 5.806 16.506 -9.023 605 HA PRO 78 HA PRO 78 10.364 13.164 -13.228 606 HB2 PRO 78 2HB PRO 78 11.730 12.394 -10.822 607 HB3 PRO 78 1HB PRO 78 12.171 13.683 -11.949 608 HG2 PRO 78 2HG PRO 78 10.708 13.839 -9.392 609 HG3 PRO 78 1HG PRO 78 11.723 15.049 -10.197 610 HD2 PRO 78 2HD PRO 78 9.054 15.319 -10.130 611 HD3 PRO 78 1HD PRO 78 9.989 15.796 -11.565 612 H HIS 79 H HIS 79 10.443 11.382 -10.186 613 HA HIS 79 HA HIS 79 8.517 9.394 -10.954 614 HB2 HIS 79 2HB HIS 79 10.220 7.564 -11.270 615 HB3 HIS 79 1HB HIS 79 10.222 8.762 -12.563 616 HD1 HIS 79 1HD HIS 79 11.838 9.099 -9.135 617 HD2 HIS 79 2HD HIS 79 12.936 8.929 -13.156 618 HE1 HIS 79 1HE HIS 79 14.324 9.583 -9.222 619 HE2 HIS 79 2HE HIS 79 15.002 9.479 -11.663 620 H ARG 80 H ARG 80 8.930 10.974 -8.684 621 HA ARG 80 HA ARG 80 9.663 8.876 -6.687 622 HB2 ARG 80 2HB ARG 80 11.541 10.398 -6.711 623 HB3 ARG 80 1HB ARG 80 10.468 11.797 -6.637 624 HG2 ARG 80 2HG ARG 80 9.787 11.279 -4.411 625 HG3 ARG 80 1HG ARG 80 10.502 9.667 -4.494 626 HD2 ARG 80 2HD ARG 80 12.012 11.033 -3.224 627 HD3 ARG 80 1HD ARG 80 12.749 10.787 -4.801 628 HE ARG 80 HE ARG 80 11.619 13.326 -3.793 629 HH11 ARG 80 1HH1 ARG 80 12.157 15.126 -5.039 630 HH12 ARG 80 2HH1 ARG 80 12.903 14.903 -6.587 631 HH21 ARG 80 1HH2 ARG 80 12.917 11.445 -6.387 632 HH22 ARG 80 2HH2 ARG 80 13.332 12.824 -7.346 633 H LEU 81 H LEU 81 8.169 8.655 -5.080 634 HA LEU 81 HA LEU 81 6.194 10.851 -4.703 635 HB2 LEU 81 2HB LEU 81 5.539 7.931 -5.111 636 HB3 LEU 81 1HB LEU 81 4.377 9.151 -4.597 637 HG LEU 81 HG LEU 81 5.578 10.284 -6.830 638 HD11 LEU 81 1HD1 LEU 81 5.363 8.509 -8.554 639 HD12 LEU 81 2HD1 LEU 81 5.081 7.335 -7.270 640 HD13 LEU 81 3HD1 LEU 81 6.635 8.157 -7.384 641 HD21 LEU 81 1HD2 LEU 81 3.036 8.636 -6.744 642 HD22 LEU 81 2HD2 LEU 81 3.399 9.946 -7.866 643 HD23 LEU 81 3HD2 LEU 81 3.164 10.292 -6.153 644 H ALA 82 H ALA 82 5.943 11.313 -2.604 645 HA ALA 82 HA ALA 82 6.813 9.281 -0.586 646 HB1 ALA 82 1HB ALA 82 6.678 12.302 -0.553 647 HB2 ALA 82 2HB ALA 82 8.054 11.264 -0.179 648 HB3 ALA 82 3HB ALA 82 6.706 11.382 0.952 649 H MET 83 H MET 83 5.225 8.700 1.043 650 HA MET 83 HA MET 83 2.632 10.096 0.822 651 HB2 MET 83 2HB MET 83 1.537 7.743 0.727 652 HB3 MET 83 1HB MET 83 2.185 8.437 -0.760 653 HG2 MET 83 2HG MET 83 4.188 7.133 -0.601 654 HG3 MET 83 1HG MET 83 3.809 6.635 1.048 655 HE1 MET 83 1HE MET 83 1.452 6.805 -2.238 656 HE2 MET 83 2HE MET 83 1.969 5.252 -2.891 657 HE3 MET 83 3HE MET 83 3.161 6.515 -2.594 658 H THR 84 H THR 84 1.290 9.940 2.610 659 HA THR 84 HA THR 84 2.538 8.699 5.020 660 HB THR 84 HB THR 84 0.501 10.894 4.622 661 HG1 THR 84 1HG THR 84 2.565 10.851 6.502 662 HG21 THR 84 1HG2 THR 84 0.934 9.173 7.068 663 HG22 THR 84 2HG2 THR 84 -0.588 9.546 6.260 664 HG23 THR 84 3HG2 THR 84 0.258 10.798 7.168 665 H TRP 85 H TRP 85 0.991 7.427 6.435 666 HA TRP 85 HA TRP 85 -1.021 6.062 4.701 667 HB2 TRP 85 2HB TRP 85 0.823 5.122 6.845 668 HB3 TRP 85 1HB TRP 85 -0.739 4.313 6.700 669 HD1 TRP 85 HD TRP 85 0.939 5.698 3.586 670 HE1 TRP 85 1HE TRP 85 1.673 3.738 2.084 671 HE3 TRP 85 3HE TRP 85 0.033 1.784 6.738 672 HZ2 TRP 85 2HZ TRP 85 1.854 0.887 2.201 673 HZ3 TRP 85 3HZ TRP 85 0.496 -0.542 6.018 674 HH2 TRP 85 HH TRP 85 1.405 -0.995 3.756 675 H ARG 86 H ARG 86 -3.161 6.258 5.235 676 HA ARG 86 HA ARG 86 -3.794 7.212 8.010 677 HB2 ARG 86 2HB ARG 86 -4.400 8.796 6.151 678 HB3 ARG 86 1HB ARG 86 -5.485 7.559 5.517 679 HG2 ARG 86 2HG ARG 86 -6.681 7.530 7.699 680 HG3 ARG 86 1HG ARG 86 -5.635 8.833 8.265 681 HD2 ARG 86 2HD ARG 86 -6.427 10.227 6.334 682 HD3 ARG 86 1HD ARG 86 -7.571 8.945 5.936 683 HE ARG 86 HE ARG 86 -7.727 9.957 8.696 684 HH11 ARG 86 1HH1 ARG 86 -9.715 10.879 9.235 685 HH12 ARG 86 2HH1 ARG 86 -10.860 11.232 7.984 686 HH21 ARG 86 1HH2 ARG 86 -8.832 10.057 5.431 687 HH22 ARG 86 2HH2 ARG 86 -10.360 10.766 5.832 688 H ILE 87 H ILE 87 -4.276 5.295 9.077 689 HA ILE 87 HA ILE 87 -6.592 3.779 8.011 690 HB ILE 87 HB ILE 87 -4.426 2.618 7.353 691 HG12 ILE 87 2HG1 ILE 87 -6.074 0.991 9.297 692 HG13 ILE 87 1HG1 ILE 87 -6.736 1.530 7.754 693 HG21 ILE 87 1HG2 ILE 87 -2.976 1.791 8.955 694 HG22 ILE 87 2HG2 ILE 87 -4.231 1.694 10.190 695 HG23 ILE 87 3HG2 ILE 87 -3.519 3.254 9.777 696 HD11 ILE 87 1HD1 ILE 87 -5.652 -0.796 7.783 697 HD12 ILE 87 2HD1 ILE 87 -4.110 0.048 7.932 698 HD13 ILE 87 3HD1 ILE 87 -5.122 0.303 6.511 699 H ASP 88 H ASP 88 -7.608 2.423 9.719 700 HA ASP 88 HA ASP 88 -7.218 3.684 12.391 701 HB2 ASP 88 2HB ASP 88 -9.464 3.830 11.274 702 HB3 ASP 88 1HB ASP 88 -9.588 2.082 11.445 703 H GLY 89 H GLY 89 -8.182 1.984 14.130 704 HA2 GLY 89 2HA GLY 89 -6.238 -0.208 14.119 705 HA3 GLY 89 1HA GLY 89 -7.346 0.188 15.434 706 H HIS 90 H HIS 90 -9.791 -0.186 14.694 707 HA HIS 90 HA HIS 90 -9.885 -3.002 13.834 708 HB2 HIS 90 2HB HIS 90 -11.417 -1.406 15.597 709 HB3 HIS 90 1HB HIS 90 -12.498 -1.869 14.288 710 HD1 HIS 90 1HD HIS 90 -11.922 -3.078 17.420 711 HD2 HIS 90 2HD HIS 90 -11.502 -4.897 13.687 712 HE1 HIS 90 1HE HIS 90 -12.023 -5.579 17.826 713 HE2 HIS 90 2HE HIS 90 -11.769 -6.696 15.562 714 H TRP 91 H TRP 91 -9.129 -1.202 11.790 715 HA TRP 91 HA TRP 91 -9.643 -0.690 9.566 716 HB2 TRP 91 2HB TRP 91 -11.519 -2.981 10.149 717 HB3 TRP 91 1HB TRP 91 -11.472 -2.208 8.571 718 HD1 TRP 91 HD TRP 91 -9.115 -2.275 7.250 719 HE1 TRP 91 1HE TRP 91 -7.235 -4.026 7.315 720 HE3 TRP 91 3HE TRP 91 -10.270 -4.653 11.607 721 HZ2 TRP 91 2HZ TRP 91 -6.340 -6.174 9.010 722 HZ3 TRP 91 3HZ TRP 91 -8.902 -6.544 12.420 723 HH2 TRP 91 HH TRP 91 -6.936 -7.307 11.127 724 H GLN 92 H GLN 92 -11.134 0.736 11.798 725 HA GLN 92 HA GLN 92 -13.597 1.475 10.265 726 HB2 GLN 92 2HB GLN 92 -12.896 2.075 13.155 727 HB3 GLN 92 1HB GLN 92 -14.424 2.447 12.357 728 HG2 GLN 92 2HG GLN 92 -14.686 -0.025 11.894 729 HG3 GLN 92 1HG GLN 92 -13.275 -0.290 12.907 730 HE21 GLN 92 1HE2 GLN 92 -14.681 2.359 14.268 731 HE22 GLN 92 2HE2 GLN 92 -15.692 1.604 15.405 732 H SER 93 H SER 93 -12.989 3.106 8.883 733 HA SER 93 HA SER 93 -10.877 4.897 9.111 734 HB2 SER 93 2HB SER 93 -12.332 4.724 7.117 735 HB3 SER 93 1HB SER 93 -13.631 5.523 8.003 736 HG SER 93 HG SER 93 -12.167 6.850 6.614 737 H VAL 94 H VAL 94 -10.485 6.777 10.222 738 HA VAL 94 HA VAL 94 -12.639 7.779 12.043 739 HB VAL 94 HB VAL 94 -10.437 8.462 13.423 740 HG11 VAL 94 1HG1 VAL 94 -10.743 6.301 14.693 741 HG12 VAL 94 2HG1 VAL 94 -11.825 5.768 13.406 742 HG13 VAL 94 3HG1 VAL 94 -12.243 7.176 14.383 743 HG21 VAL 94 1HG2 VAL 94 -9.179 7.162 11.463 744 HG22 VAL 94 2HG2 VAL 94 -9.576 5.765 12.463 745 HG23 VAL 94 3HG2 VAL 94 -8.606 7.078 13.129 746 HA PRO 95 HA PRO 95 -12.113 11.811 10.361 747 HB2 PRO 95 2HB PRO 95 -11.601 13.245 12.754 748 HB3 PRO 95 1HB PRO 95 -13.177 12.989 11.986 749 HG2 PRO 95 2HG PRO 95 -11.947 11.595 14.277 750 HG3 PRO 95 1HG PRO 95 -13.655 11.864 13.895 751 HD2 PRO 95 2HD PRO 95 -12.477 9.433 13.609 752 HD3 PRO 95 1HD PRO 95 -13.792 9.980 12.544 753 H ASP 96 H ASP 96 -9.707 10.717 12.693 754 HA ASP 96 HA ASP 96 -7.559 11.703 10.964 755 HB2 ASP 96 2HB ASP 96 -8.287 13.621 12.579 756 HB3 ASP 96 1HB ASP 96 -7.487 12.642 13.811 757 H ASP 97 H ASP 97 -5.588 10.623 11.432 758 HA ASP 97 HA ASP 97 -5.878 8.359 13.337 759 HB2 ASP 97 2HB ASP 97 -4.114 8.754 10.911 760 HB3 ASP 97 1HB ASP 97 -3.985 7.380 12.008 761 H ASP 98 H ASP 98 -4.824 8.647 15.230 762 HA ASP 98 HA ASP 98 -2.666 10.611 15.469 763 HB2 ASP 98 2HB ASP 98 -3.878 8.646 17.428 764 HB3 ASP 98 1HB ASP 98 -2.619 9.806 17.848 765 H ARG 99 H ARG 99 -3.016 7.403 14.571 766 HA ARG 99 HA ARG 99 -0.263 6.637 15.363 767 HB2 ARG 99 2HB ARG 99 -1.987 4.710 13.921 768 HB3 ARG 99 1HB ARG 99 -1.008 4.481 15.370 769 HG2 ARG 99 2HG ARG 99 -2.702 5.683 16.709 770 HG3 ARG 99 1HG ARG 99 -3.692 5.890 15.262 771 HD2 ARG 99 2HD ARG 99 -3.818 3.430 15.009 772 HD3 ARG 99 1HD ARG 99 -2.881 3.239 16.492 773 HE ARG 99 HE ARG 99 -5.706 3.901 16.338 774 HH11 ARG 99 1HH1 ARG 99 -6.747 4.248 18.314 775 HH12 ARG 99 2HH1 ARG 99 -5.801 4.530 19.738 776 HH21 ARG 99 1HH2 ARG 99 -2.761 4.285 18.087 777 HH22 ARG 99 2HH2 ARG 99 -3.544 4.552 19.609 778 H ALA 100 H ALA 100 -0.838 8.579 13.222 779 HA ALA 100 HA ALA 100 -0.400 7.098 10.725 780 HB1 ALA 100 1HB ALA 100 -1.630 8.914 10.115 781 HB2 ALA 100 2HB ALA 100 -0.061 9.720 10.055 782 HB3 ALA 100 3HB ALA 100 -1.076 9.869 11.490 783 H SER 101 H SER 101 1.480 7.168 9.491 784 HA SER 101 HA SER 101 3.882 8.420 10.740 785 HB2 SER 101 2HB SER 101 5.195 6.436 10.271 786 HB3 SER 101 1HB SER 101 3.782 5.943 11.199 787 HG SER 101 HG SER 101 4.527 5.298 8.661 788 H GLU 102 H GLU 102 5.723 8.479 9.018 789 HA GLU 102 HA GLU 102 4.470 9.210 6.403 790 HB2 GLU 102 2HB GLU 102 7.096 10.110 7.626 791 HB3 GLU 102 1HB GLU 102 6.456 10.645 6.072 792 HG2 GLU 102 2HG GLU 102 4.442 11.529 7.236 793 HG3 GLU 102 1HG GLU 102 5.156 11.062 8.780 794 H ILE 103 H ILE 103 5.220 8.280 4.531 795 HA ILE 103 HA ILE 103 7.436 6.286 4.797 796 HB ILE 103 HB ILE 103 4.980 6.089 3.025 797 HG12 ILE 103 2HG1 ILE 103 5.693 4.530 5.528 798 HG13 ILE 103 1HG1 ILE 103 4.517 5.845 5.475 799 HG21 ILE 103 1HG2 ILE 103 7.173 4.983 2.278 800 HG22 ILE 103 2HG2 ILE 103 5.776 3.919 2.432 801 HG23 ILE 103 3HG2 ILE 103 7.006 3.944 3.694 802 HD11 ILE 103 1HD1 ILE 103 3.474 4.438 3.507 803 HD12 ILE 103 2HD1 ILE 103 3.135 3.991 5.178 804 HD13 ILE 103 3HD1 ILE 103 4.352 3.107 4.257 805 H GLU 104 H GLU 104 9.003 6.375 3.209 806 HA GLU 104 HA GLU 104 8.638 8.484 1.112 807 HB2 GLU 104 2HB GLU 104 10.484 8.861 2.771 808 HB3 GLU 104 1HB GLU 104 11.234 7.365 2.211 809 HG2 GLU 104 2HG GLU 104 11.304 8.304 -0.097 810 HG3 GLU 104 1HG GLU 104 10.658 9.821 0.528 811 H VAL 105 H VAL 105 8.574 7.768 -0.971 812 HA VAL 105 HA VAL 105 9.788 5.114 -1.575 813 HB VAL 105 HB VAL 105 7.157 6.082 -2.709 814 HG11 VAL 105 1HG1 VAL 105 8.474 4.448 -4.054 815 HG12 VAL 105 2HG1 VAL 105 6.957 3.767 -3.469 816 HG13 VAL 105 3HG1 VAL 105 8.474 3.349 -2.674 817 HG21 VAL 105 1HG2 VAL 105 7.816 4.708 -0.174 818 HG22 VAL 105 2HG2 VAL 105 6.551 3.934 -1.127 819 HG23 VAL 105 3HG2 VAL 105 6.370 5.613 -0.620 820 H ASP 106 H ASP 106 11.043 5.130 -3.395 821 HA ASP 106 HA ASP 106 10.845 7.531 -5.176 822 HB2 ASP 106 2HB ASP 106 13.269 5.868 -4.429 823 HB3 ASP 106 1HB ASP 106 13.273 7.159 -5.635 824 H PHE 107 H PHE 107 10.479 7.106 -7.329 825 HA PHE 107 HA PHE 107 10.652 4.248 -8.184 826 HB2 PHE 107 2HB PHE 107 8.830 6.467 -9.167 827 HB3 PHE 107 1HB PHE 107 8.912 4.852 -9.853 828 HD1 PHE 107 1HD PHE 107 8.248 6.688 -6.671 829 HD2 PHE 107 2HD PHE 107 7.677 3.077 -8.924 830 HE1 PHE 107 1HE PHE 107 6.628 5.884 -4.974 831 HE2 PHE 107 2HE PHE 107 6.061 2.271 -7.226 832 HZ PHE 107 HZ PHE 107 5.533 3.675 -5.252 833 H VAL 108 H VAL 108 11.785 3.803 -10.064 834 HA VAL 108 HA VAL 108 12.964 6.126 -11.520 835 HB VAL 108 HB VAL 108 14.558 3.630 -11.320 836 HG11 VAL 108 1HG1 VAL 108 16.397 5.212 -11.335 837 HG12 VAL 108 2HG1 VAL 108 15.295 6.556 -11.040 838 HG13 VAL 108 3HG1 VAL 108 15.244 5.696 -12.579 839 HG21 VAL 108 1HG2 VAL 108 15.493 4.374 -9.123 840 HG22 VAL 108 2HG2 VAL 108 13.808 3.870 -9.007 841 HG23 VAL 108 3HG2 VAL 108 14.215 5.586 -9.026 842 HA PRO 109 HA PRO 109 11.085 3.662 -14.808 843 HB2 PRO 109 2HB PRO 109 11.697 5.280 -16.910 844 HB3 PRO 109 1HB PRO 109 10.409 5.666 -15.755 845 HG2 PRO 109 2HG PRO 109 13.176 6.731 -15.928 846 HG3 PRO 109 1HG PRO 109 11.665 7.568 -15.539 847 HD2 PRO 109 2HD PRO 109 13.490 6.766 -13.639 848 HD3 PRO 109 1HD PRO 109 11.755 6.975 -13.311 849 H ASN 110 H ASN 110 12.094 1.877 -15.470 850 HA ASN 110 HA ASN 110 14.770 2.098 -16.744 851 HB2 ASN 110 2HB ASN 110 14.666 0.902 -14.490 852 HB3 ASN 110 1HB ASN 110 13.725 -0.341 -15.316 853 HD21 ASN 110 1HD2 ASN 110 16.035 -1.340 -14.371 854 HD22 ASN 110 2HD2 ASN 110 17.216 -1.492 -15.580 855 H GLY 111 H GLY 111 14.581 1.718 -18.904 856 HA2 GLY 111 2HA GLY 111 13.920 0.658 -20.896 857 HA3 GLY 111 1HA GLY 111 13.336 -0.677 -19.901 858 H SER 112 H SER 112 11.723 -0.262 -21.915 859 HA SER 112 HA SER 112 9.768 1.831 -21.576 860 HB2 SER 112 2HB SER 112 8.488 0.646 -23.252 861 HB3 SER 112 1HB SER 112 10.185 0.559 -23.711 862 HG SER 112 HG SER 112 9.078 -1.438 -22.077 863 H GLY 113 H GLY 113 10.200 -1.323 -20.136 864 HA2 GLY 113 2HA GLY 113 7.744 -0.826 -18.530 865 HA3 GLY 113 1HA GLY 113 7.919 -2.387 -19.338 866 H GLY 114 H GLY 114 10.399 -0.428 -17.659 867 HA2 GLY 114 2HA GLY 114 10.610 -2.592 -15.631 868 HA3 GLY 114 1HA GLY 114 12.059 -2.031 -16.459 869 H THR 115 H THR 115 10.568 -1.722 -13.594 870 HA THR 115 HA THR 115 11.611 1.054 -13.272 871 HB THR 115 HB THR 115 8.887 0.053 -12.432 872 HG1 THR 115 1HG THR 115 9.916 1.731 -14.304 873 HG21 THR 115 1HG2 THR 115 10.486 2.410 -11.421 874 HG22 THR 115 2HG2 THR 115 9.728 1.130 -10.474 875 HG23 THR 115 3HG2 THR 115 8.729 2.328 -11.293 876 H ARG 116 H ARG 116 12.664 1.419 -11.369 877 HA ARG 116 HA ARG 116 12.865 -0.889 -9.485 878 HB2 ARG 116 2HB ARG 116 14.996 -0.048 -10.511 879 HB3 ARG 116 1HB ARG 116 14.690 1.525 -9.768 880 HG2 ARG 116 2HG ARG 116 14.667 0.441 -7.532 881 HG3 ARG 116 1HG ARG 116 15.048 -1.103 -8.296 882 HD2 ARG 116 2HD ARG 116 17.127 -0.082 -9.231 883 HD3 ARG 116 1HD ARG 116 16.763 1.397 -8.344 884 HE ARG 116 HE ARG 116 16.821 -0.949 -6.621 885 HH11 ARG 116 1HH1 ARG 116 18.539 -1.043 -5.155 886 HH12 ARG 116 2HH1 ARG 116 19.910 -0.007 -5.381 887 HH21 ARG 116 1HH2 ARG 116 18.647 1.484 -8.246 888 HH22 ARG 116 2HH2 ARG 116 19.970 1.422 -7.130 889 H VAL 117 H VAL 117 11.906 -0.617 -7.492 890 HA VAL 117 HA VAL 117 11.227 2.187 -6.689 891 HB VAL 117 HB VAL 117 9.577 -0.302 -6.216 892 HG11 VAL 117 1HG1 VAL 117 7.893 1.301 -5.393 893 HG12 VAL 117 2HG1 VAL 117 9.023 2.628 -5.665 894 HG13 VAL 117 3HG1 VAL 117 9.377 1.407 -4.442 895 HG21 VAL 117 1HG2 VAL 117 9.230 0.142 -8.477 896 HG22 VAL 117 2HG2 VAL 117 9.507 1.873 -8.281 897 HG23 VAL 117 3HG2 VAL 117 7.991 1.156 -7.737 898 H GLU 118 H GLU 118 11.672 2.760 -4.637 899 HA GLU 118 HA GLU 118 12.701 0.633 -2.795 900 HB2 GLU 118 2HB GLU 118 13.527 3.559 -2.930 901 HB3 GLU 118 1HB GLU 118 14.185 2.348 -1.833 902 HG2 GLU 118 2HG GLU 118 15.013 1.054 -3.774 903 HG3 GLU 118 1HG GLU 118 14.385 2.293 -4.859 904 H LEU 119 H LEU 119 10.967 0.323 -1.418 905 HA LEU 119 HA LEU 119 9.534 2.753 -0.455 906 HB2 LEU 119 2HB LEU 119 8.229 0.905 -1.597 907 HB3 LEU 119 1HB LEU 119 8.637 -0.128 -0.237 908 HG LEU 119 HG LEU 119 7.468 2.531 0.428 909 HD11 LEU 119 1HD1 LEU 119 6.108 1.731 -1.513 910 HD12 LEU 119 2HD1 LEU 119 5.189 1.774 -0.008 911 HD13 LEU 119 3HD1 LEU 119 5.788 0.238 -0.632 912 HD21 LEU 119 1HD2 LEU 119 6.489 -0.079 1.496 913 HD22 LEU 119 2HD2 LEU 119 6.787 1.437 2.343 914 HD23 LEU 119 3HD2 LEU 119 8.136 0.388 1.915 915 H ALA 120 H ALA 120 9.838 3.363 1.624 916 HA ALA 120 HA ALA 120 10.850 1.322 3.559 917 HB1 ALA 120 1HB ALA 120 12.657 2.583 4.137 918 HB2 ALA 120 2HB ALA 120 11.771 4.099 3.971 919 HB3 ALA 120 3HB ALA 120 12.436 3.305 2.543 920 H HIS 121 H HIS 121 9.504 1.202 5.276 921 HA HIS 121 HA HIS 121 7.726 3.533 5.850 922 HB2 HIS 121 2HB HIS 121 6.105 2.045 6.547 923 HB3 HIS 121 1HB HIS 121 6.954 0.996 5.411 924 HD1 HIS 121 1HD HIS 121 5.676 0.867 8.689 925 HD2 HIS 121 2HD HIS 121 9.309 -0.307 7.016 926 HE1 HIS 121 1HE HIS 121 6.706 -0.794 10.307 927 HE2 HIS 121 2HE HIS 121 8.915 -1.518 9.292 928 H VAL 122 H VAL 122 7.900 4.541 7.866 929 HA VAL 122 HA VAL 122 9.675 3.222 9.864 930 HB VAL 122 HB VAL 122 10.796 5.389 10.275 931 HG11 VAL 122 1HG1 VAL 122 11.150 5.083 7.357 932 HG12 VAL 122 2HG1 VAL 122 11.289 3.591 8.285 933 HG13 VAL 122 3HG1 VAL 122 12.338 4.959 8.656 934 HG21 VAL 122 1HG2 VAL 122 10.434 7.266 8.789 935 HG22 VAL 122 2HG2 VAL 122 8.858 6.771 9.405 936 HG23 VAL 122 3HG2 VAL 122 9.349 6.316 7.775 937 H LYS 123 H LYS 123 9.380 3.892 12.026 938 HA LYS 123 HA LYS 123 8.093 4.445 13.888 939 HB2 LYS 123 2HB LYS 123 7.459 6.716 12.001 940 HB3 LYS 123 1HB LYS 123 6.821 6.652 13.645 941 HG2 LYS 123 2HG LYS 123 8.856 7.930 13.741 942 HG3 LYS 123 1HG LYS 123 9.207 6.354 14.451 943 HD2 LYS 123 2HD LYS 123 10.346 5.609 12.505 944 HD3 LYS 123 1HD LYS 123 9.694 6.924 11.526 945 HE2 LYS 123 2HE LYS 123 11.608 7.267 13.851 946 HE3 LYS 123 1HE LYS 123 12.067 7.308 12.148 947 HZ1 LYS 123 1HZ LYS 123 11.724 9.508 12.487 948 HZ2 LYS 123 2HZ LYS 123 10.584 9.269 13.725 949 HZ3 LYS 123 3HZ LYS 123 10.130 9.076 12.099 950 H LEU 124 H LEU 124 6.930 2.615 11.902 951 HA LEU 124 HA LEU 124 4.099 3.208 11.686 952 HB2 LEU 124 2HB LEU 124 5.547 1.573 10.293 953 HB3 LEU 124 1HB LEU 124 5.284 0.451 11.624 954 HG LEU 124 HG LEU 124 2.812 0.858 11.392 955 HD11 LEU 124 1HD1 LEU 124 2.634 1.713 8.742 956 HD12 LEU 124 2HD1 LEU 124 3.830 2.795 9.455 957 HD13 LEU 124 3HD1 LEU 124 2.221 2.665 10.167 958 HD21 LEU 124 1HD2 LEU 124 3.194 -1.123 10.353 959 HD22 LEU 124 2HD2 LEU 124 4.592 -0.497 9.481 960 HD23 LEU 124 3HD2 LEU 124 2.966 -0.201 8.868 961 H HIS 125 H HIS 125 6.178 1.414 13.871 962 HA HIS 125 HA HIS 125 4.404 -0.005 15.451 963 HB2 HIS 125 2HB HIS 125 6.812 -0.045 15.840 964 HB3 HIS 125 1HB HIS 125 6.763 1.626 16.398 965 HD1 HIS 125 1HD HIS 125 4.821 -1.553 17.279 966 HD2 HIS 125 2HD HIS 125 6.692 1.672 19.150 967 HE1 HIS 125 1HE HIS 125 4.524 -1.898 19.773 968 HE2 HIS 125 2HE HIS 125 5.659 0.059 20.920 969 H ARG 126 H ARG 126 4.480 3.404 15.081 970 HA ARG 126 HA ARG 126 3.580 4.378 17.527 971 HB2 ARG 126 2HB ARG 126 2.689 5.088 14.738 972 HB3 ARG 126 1HB ARG 126 2.130 5.970 16.158 973 HG2 ARG 126 2HG ARG 126 4.479 6.428 16.780 974 HG3 ARG 126 1HG ARG 126 5.021 5.596 15.329 975 HD2 ARG 126 2HD ARG 126 3.659 7.220 13.971 976 HD3 ARG 126 1HD ARG 126 3.328 8.106 15.460 977 HE ARG 126 HE ARG 126 5.863 8.086 13.999 978 HH11 ARG 126 1HH1 ARG 126 7.466 9.432 14.852 979 HH12 ARG 126 2HH1 ARG 126 7.274 10.081 16.447 980 HH21 ARG 126 1HH2 ARG 126 4.213 8.545 16.991 981 HH22 ARG 126 2HH2 ARG 126 5.432 9.579 17.658 982 H HIS 127 H HIS 127 1.787 2.412 15.202 983 HA HIS 127 HA HIS 127 -0.686 2.692 16.762 984 HB2 HIS 127 2HB HIS 127 -1.568 0.975 15.150 985 HB3 HIS 127 1HB HIS 127 -0.968 2.438 14.379 986 HD1 HIS 127 1HD HIS 127 1.996 0.834 15.354 987 HD2 HIS 127 2HD HIS 127 -0.778 0.068 12.336 988 HE1 HIS 127 1HE HIS 127 3.186 -0.575 13.619 989 HE2 HIS 127 2HE HIS 127 1.508 -1.057 11.784 990 H GLY 128 H GLY 128 2.015 0.504 16.536 991 HA2 GLY 128 2HA GLY 128 2.396 -1.599 17.565 992 HA3 GLY 128 1HA GLY 128 1.888 -0.682 18.983 993 H ASP 129 H ASP 129 0.807 -2.394 19.995 994 HA ASP 129 HA ASP 129 -0.896 -3.973 20.372 995 HB2 ASP 129 2HB ASP 129 -2.386 -1.903 18.723 996 HB3 ASP 129 1HB ASP 129 -3.151 -3.155 19.702 997 H GLY 130 H GLY 130 -3.157 -4.295 18.361 998 HA2 GLY 130 2HA GLY 130 -1.928 -6.423 16.820 999 HA3 GLY 130 1HA GLY 130 -3.604 -5.877 16.674 1000 H ALA 131 H ALA 131 -0.564 -4.091 16.266 1001 HA ALA 131 HA ALA 131 -1.446 -2.550 14.071 1002 HB1 ALA 131 1HB ALA 131 1.177 -3.242 15.283 1003 HB2 ALA 131 2HB ALA 131 0.482 -1.662 14.930 1004 HB3 ALA 131 3HB ALA 131 1.212 -2.611 13.640 1005 H TRP 132 H TRP 132 0.620 -5.503 13.986 1006 HA TRP 132 HA TRP 132 0.699 -5.646 11.146 1007 HB2 TRP 132 2HB TRP 132 2.167 -6.995 12.659 1008 HB3 TRP 132 1HB TRP 132 0.772 -8.001 13.052 1009 HD1 TRP 132 HD TRP 132 -0.301 -9.442 11.049 1010 HE1 TRP 132 1HE TRP 132 0.751 -10.372 8.889 1011 HE3 TRP 132 3HE TRP 132 3.953 -6.593 10.820 1012 HZ2 TRP 132 2HZ TRP 132 3.077 -9.972 7.282 1013 HZ3 TRP 132 3HZ TRP 132 5.559 -6.899 8.963 1014 HH2 TRP 132 HH TRP 132 5.129 -8.582 7.195 1015 H ASN 133 H ASN 133 -1.727 -6.709 13.469 1016 HA ASN 133 HA ASN 133 -3.266 -8.412 11.808 1017 HB2 ASN 133 2HB ASN 133 -3.634 -7.779 14.294 1018 HB3 ASN 133 1HB ASN 133 -4.507 -6.380 13.669 1019 HD21 ASN 133 1HD2 ASN 133 -6.209 -7.883 15.022 1020 HD22 ASN 133 2HD2 ASN 133 -7.132 -8.913 14.037 1021 H ILE 134 H ILE 134 -3.276 -4.883 12.141 1022 HA ILE 134 HA ILE 134 -5.350 -4.324 10.274 1023 HB ILE 134 HB ILE 134 -2.850 -2.730 10.892 1024 HG12 ILE 134 2HG1 ILE 134 -5.621 -2.530 12.107 1025 HG13 ILE 134 1HG1 ILE 134 -4.260 -3.347 12.882 1026 HG21 ILE 134 1HG2 ILE 134 -4.156 -0.817 10.117 1027 HG22 ILE 134 2HG2 ILE 134 -5.534 -1.870 9.797 1028 HG23 ILE 134 3HG2 ILE 134 -4.059 -2.035 8.847 1029 HD11 ILE 134 1HD1 ILE 134 -4.594 -0.413 12.274 1030 HD12 ILE 134 2HD1 ILE 134 -2.992 -1.109 12.515 1031 HD13 ILE 134 3HD1 ILE 134 -4.188 -1.182 13.809 1032 H HIS 135 H HIS 135 -1.851 -4.722 9.947 1033 HA HIS 135 HA HIS 135 -1.689 -4.287 7.123 1034 HB2 HIS 135 2HB HIS 135 0.323 -4.237 8.483 1035 HB3 HIS 135 1HB HIS 135 0.056 -5.904 9.000 1036 HD1 HIS 135 1HD HIS 135 -0.848 -5.552 5.529 1037 HD2 HIS 135 2HD HIS 135 2.701 -6.216 7.612 1038 HE1 HIS 135 1HE HIS 135 0.799 -6.444 3.833 1039 HE2 HIS 135 2HE HIS 135 2.983 -6.836 5.084 1040 H LYS 136 H LYS 136 -2.395 -7.135 9.089 1041 HA LYS 136 HA LYS 136 -2.143 -9.146 7.132 1042 HB2 LYS 136 2HB LYS 136 -2.707 -9.533 9.547 1043 HB3 LYS 136 1HB LYS 136 -4.335 -8.969 9.208 1044 HG2 LYS 136 2HG LYS 136 -4.597 -10.746 7.528 1045 HG3 LYS 136 1HG LYS 136 -2.982 -11.329 7.906 1046 HD2 LYS 136 2HD LYS 136 -3.706 -11.668 10.275 1047 HD3 LYS 136 1HD LYS 136 -5.342 -11.207 9.803 1048 HE2 LYS 136 2HE LYS 136 -5.714 -13.166 8.657 1049 HE3 LYS 136 1HE LYS 136 -4.022 -13.339 8.193 1050 HZ1 LYS 136 1HZ LYS 136 -4.848 -13.604 11.011 1051 HZ2 LYS 136 2HZ LYS 136 -3.460 -14.212 10.244 1052 HZ3 LYS 136 3HZ LYS 136 -4.976 -14.919 9.947 1053 H ALA 137 H ALA 137 -4.736 -6.799 7.671 1054 HA ALA 137 HA ALA 137 -6.561 -7.908 5.739 1055 HB1 ALA 137 1HB ALA 137 -7.266 -5.371 5.611 1056 HB2 ALA 137 2HB ALA 137 -6.164 -5.205 6.976 1057 HB3 ALA 137 3HB ALA 137 -7.559 -6.278 7.096 1058 H LEU 138 H LEU 138 -3.909 -5.563 5.563 1059 HA LEU 138 HA LEU 138 -4.235 -5.078 2.718 1060 HB2 LEU 138 2HB LEU 138 -1.904 -4.599 4.597 1061 HB3 LEU 138 1HB LEU 138 -1.946 -4.068 2.919 1062 HG LEU 138 HG LEU 138 -3.973 -3.283 5.030 1063 HD11 LEU 138 1HD1 LEU 138 -1.505 -1.941 3.934 1064 HD12 LEU 138 2HD1 LEU 138 -1.988 -2.146 5.616 1065 HD13 LEU 138 3HD1 LEU 138 -2.839 -0.992 4.590 1066 HD21 LEU 138 1HD2 LEU 138 -3.747 -2.935 2.095 1067 HD22 LEU 138 2HD2 LEU 138 -4.150 -1.472 2.992 1068 HD23 LEU 138 3HD2 LEU 138 -5.179 -2.898 3.125 1069 H ASP 139 H ASP 139 -3.151 -7.685 4.530 1070 HA ASP 139 HA ASP 139 -2.305 -9.757 3.821 1071 HB2 ASP 139 2HB ASP 139 -3.209 -8.604 1.452 1072 HB3 ASP 139 1HB ASP 139 -1.540 -9.042 1.111 1073 H GLY 140 H GLY 140 -0.394 -9.892 4.907 1074 HA2 GLY 140 2HA GLY 140 1.995 -8.629 3.628 1075 HA3 GLY 140 1HA GLY 140 1.826 -8.793 5.375 1076 HA PRO 141 HA PRO 141 2.125 -13.409 3.857 1077 HB2 PRO 141 2HB PRO 141 2.833 -13.556 1.142 1078 HB3 PRO 141 1HB PRO 141 1.234 -13.899 1.824 1079 HG2 PRO 141 2HG PRO 141 2.222 -11.482 0.448 1080 HG3 PRO 141 1HG PRO 141 0.592 -12.168 0.502 1081 HD2 PRO 141 2HD PRO 141 1.300 -9.946 1.902 1082 HD3 PRO 141 1HD PRO 141 0.060 -11.085 2.473 1083 H SER 142 H SER 142 4.087 -14.547 3.994 1084 HA SER 142 HA SER 142 6.517 -12.926 3.971 1085 HB2 SER 142 2HB SER 142 7.107 -14.445 5.520 1086 HB3 SER 142 1HB SER 142 5.655 -15.380 5.174 1087 HG SER 142 HG SER 142 8.190 -15.939 4.570 1088 HA PRO 143 HA PRO 143 7.667 -15.780 0.333 1089 HB2 PRO 143 2HB PRO 143 5.861 -17.558 -0.640 1090 HB3 PRO 143 1HB PRO 143 6.904 -17.922 0.750 1091 HG2 PRO 143 2HG PRO 143 4.030 -17.220 0.675 1092 HG3 PRO 143 1HG PRO 143 4.912 -18.272 1.792 1093 HD2 PRO 143 2HD PRO 143 4.124 -15.626 2.309 1094 HD3 PRO 143 1HD PRO 143 5.314 -16.557 3.244 1095 H GLY 144 H GLY 144 4.139 -15.689 -0.289 1096 HA2 GLY 144 2HA GLY 144 4.565 -14.413 -2.881 1097 HA3 GLY 144 1HA GLY 144 2.999 -14.775 -2.149 1098 H GLU 145 H GLU 145 5.756 -12.830 -1.037 1099 HA GLU 145 HA GLU 145 4.409 -10.873 0.366 1100 HB2 GLU 145 2HB GLU 145 6.776 -10.409 -1.442 1101 HB3 GLU 145 1HB GLU 145 6.267 -9.358 -0.134 1102 HG2 GLU 145 2HG GLU 145 6.546 -11.336 1.425 1103 HG3 GLU 145 1HG GLU 145 7.329 -12.172 0.079 1104 H THR 146 H THR 146 4.470 -8.415 -0.467 1105 HA THR 146 HA THR 146 2.282 -8.061 -2.233 1106 HB THR 146 HB THR 146 4.502 -6.050 -1.872 1107 HG1 THR 146 1HG THR 146 4.030 -5.936 0.145 1108 HG21 THR 146 1HG2 THR 146 2.947 -4.472 -2.474 1109 HG22 THR 146 2HG2 THR 146 1.597 -5.400 -1.821 1110 HG23 THR 146 3HG2 THR 146 2.308 -5.847 -3.372 1111 H LEU 147 H LEU 147 5.765 -7.970 -2.793 1112 HA LEU 147 HA LEU 147 5.770 -7.119 -5.476 1113 HB2 LEU 147 2HB LEU 147 7.646 -9.173 -4.280 1114 HB3 LEU 147 1HB LEU 147 7.989 -8.037 -5.587 1115 HG LEU 147 HG LEU 147 7.090 -6.429 -3.485 1116 HD11 LEU 147 1HD1 LEU 147 7.335 -8.236 -1.889 1117 HD12 LEU 147 2HD1 LEU 147 8.651 -7.089 -1.637 1118 HD13 LEU 147 3HD1 LEU 147 8.951 -8.603 -2.493 1119 HD21 LEU 147 1HD2 LEU 147 9.417 -5.632 -3.454 1120 HD22 LEU 147 2HD2 LEU 147 8.898 -5.937 -5.114 1121 HD23 LEU 147 3HD2 LEU 147 9.935 -7.098 -4.288 1122 H ALA 148 H ALA 148 5.097 -10.297 -4.108 1123 HA ALA 148 HA ALA 148 5.326 -11.747 -6.573 1124 HB1 ALA 148 1HB ALA 148 3.378 -12.970 -4.885 1125 HB2 ALA 148 2HB ALA 148 4.670 -12.325 -3.868 1126 HB3 ALA 148 3HB ALA 148 5.050 -13.463 -5.162 1127 H ARG 149 H ARG 149 2.390 -10.591 -4.870 1128 HA ARG 149 HA ARG 149 0.687 -11.427 -7.033 1129 HB2 ARG 149 2HB ARG 149 -1.073 -10.147 -5.796 1130 HB3 ARG 149 1HB ARG 149 -0.217 -11.327 -4.810 1131 HG2 ARG 149 2HG ARG 149 0.153 -9.633 -3.363 1132 HG3 ARG 149 1HG ARG 149 1.327 -9.043 -4.534 1133 HD2 ARG 149 2HD ARG 149 -0.070 -7.171 -4.208 1134 HD3 ARG 149 1HD ARG 149 -0.728 -7.901 -5.673 1135 HE ARG 149 HE ARG 149 -2.702 -8.323 -4.469 1136 HH11 ARG 149 1HH1 ARG 149 -3.938 -8.491 -2.584 1137 HH12 ARG 149 2HH1 ARG 149 -3.159 -8.386 -1.042 1138 HH21 ARG 149 1HH2 ARG 149 0.013 -7.955 -2.376 1139 HH22 ARG 149 2HH2 ARG 149 -0.922 -8.082 -0.923 1140 H PHE 150 H PHE 150 1.566 -8.100 -5.958 1141 HA PHE 150 HA PHE 150 0.220 -6.952 -8.254 1142 HB2 PHE 150 2HB PHE 150 0.336 -5.082 -7.034 1143 HB3 PHE 150 1HB PHE 150 1.184 -6.009 -5.794 1144 HD1 PHE 150 1HD PHE 150 1.432 -3.290 -8.080 1145 HD2 PHE 150 2HD PHE 150 3.731 -6.369 -6.181 1146 HE1 PHE 150 1HE PHE 150 3.514 -2.015 -8.526 1147 HE2 PHE 150 2HE PHE 150 5.797 -5.113 -6.619 1148 HZ PHE 150 HZ PHE 150 5.701 -2.928 -7.796 1149 H ALA 151 H ALA 151 3.666 -7.628 -7.559 1150 HA ALA 151 HA ALA 151 4.571 -6.165 -9.878 1151 HB1 ALA 151 1HB ALA 151 6.688 -6.766 -9.259 1152 HB2 ALA 151 2HB ALA 151 6.226 -8.427 -8.903 1153 HB3 ALA 151 3HB ALA 151 5.875 -7.142 -7.745 1154 H ASN 152 H ASN 152 3.886 -9.615 -9.329 1155 HA ASN 152 HA ASN 152 4.766 -10.488 -11.907 1156 HB2 ASN 152 2HB ASN 152 3.875 -12.555 -11.362 1157 HB3 ASN 152 1HB ASN 152 4.061 -11.846 -9.758 1158 HD21 ASN 152 1HD2 ASN 152 2.062 -10.781 -8.823 1159 HD22 ASN 152 2HD2 ASN 152 0.535 -11.368 -9.287 1160 H VAL 153 H VAL 153 1.564 -9.429 -10.777 1161 HA VAL 153 HA VAL 153 0.220 -9.968 -13.260 1162 HB VAL 153 HB VAL 153 -1.511 -8.434 -12.357 1163 HG11 VAL 153 1HG1 VAL 153 -0.368 -10.757 -10.942 1164 HG12 VAL 153 2HG1 VAL 153 -2.032 -10.456 -11.438 1165 HG13 VAL 153 3HG1 VAL 153 -1.415 -9.743 -9.948 1166 HG21 VAL 153 1HG2 VAL 153 -0.101 -6.785 -11.309 1167 HG22 VAL 153 2HG2 VAL 153 0.605 -8.007 -10.258 1168 HG23 VAL 153 3HG2 VAL 153 -1.073 -7.538 -10.048 1169 H ILE 154 H ILE 154 1.922 -7.127 -12.002 1170 HA ILE 154 HA ILE 154 1.054 -5.313 -14.003 1171 HB ILE 154 HB ILE 154 3.503 -5.421 -12.267 1172 HG12 ILE 154 2HG1 ILE 154 1.222 -3.436 -12.433 1173 HG13 ILE 154 1HG1 ILE 154 1.259 -4.796 -11.316 1174 HG21 ILE 154 1HG2 ILE 154 3.788 -2.997 -13.169 1175 HG22 ILE 154 2HG2 ILE 154 2.853 -3.578 -14.544 1176 HG23 ILE 154 3HG2 ILE 154 4.390 -4.339 -14.139 1177 HD11 ILE 154 1HD1 ILE 154 3.362 -3.945 -10.348 1178 HD12 ILE 154 2HD1 ILE 154 2.069 -2.752 -10.212 1179 HD13 ILE 154 3HD1 ILE 154 3.310 -2.570 -11.453 1180 HBC 969 201 HBC PDM 155 6.339 -9.542 3.425 1181 HBD 969 201 HBD PDM 155 4.905 -9.068 2.483 1182 HBE 969 201 HBE PDM 155 5.363 -8.144 3.934 1183 HBA 969 201 HBA PDM 155 7.289 -7.219 2.858 1184 HBB 969 201 HBB PDM 155 7.192 -8.383 1.518 1185 HA0 969 201 0HA PDM 155 3.770 -5.936 1.681 1186 HAY 969 201 HAY PDM 155 4.382 -6.779 3.124 1187 HAZ 969 201 HAZ PDM 155 3.784 -7.714 1.730 1188 HBF 969 201 HBF PDM 155 6.528 -7.654 -0.188 1189 HAQ 969 201 HAQ PDM 155 5.440 -4.189 -5.017 1190 HAL 969 201 HAL PDM 155 7.453 -4.072 -6.646 1191 HAM 969 201 HAM PDM 155 9.282 -2.403 -6.721 1192 HAN 969 201 HAN PDM 155 10.263 -1.555 -4.613 1193 HAE 969 201 HAE PDM 155 10.518 -1.625 0.182 1194 HAS 969 201 HAS PDM 155 10.024 -3.296 3.257 1195 HAT 969 201 HAT PDM 155 9.345 -1.654 3.137 1196 HAU 969 201 HAU PDM 155 10.893 -2.036 2.347 1197 HAV 969 201 HAV PDM 155 6.084 -5.274 3.638 Start of MODEL 3 1 H1 MET 1 1HT MET 1 6.371 -12.425 9.880 2 H2 MET 1 2HT MET 1 6.508 -11.269 8.643 3 H3 MET 1 3HT MET 1 5.923 -12.826 8.294 4 HA MET 1 HA MET 1 4.383 -10.661 8.786 5 HB2 MET 1 2HB MET 1 3.724 -12.780 7.685 6 HB3 MET 1 1HB MET 1 3.724 -13.585 9.255 7 HG2 MET 1 2HG MET 1 1.621 -12.886 9.617 8 HG3 MET 1 1HG MET 1 2.152 -11.210 9.484 9 HE1 MET 1 1HE MET 1 0.569 -14.284 7.783 10 HE2 MET 1 2HE MET 1 -0.626 -13.381 6.855 11 HE3 MET 1 3HE MET 1 -0.497 -13.127 8.594 12 HA PRO 2 HA PRO 2 5.126 -11.490 13.440 13 HB2 PRO 2 2HB PRO 2 6.354 -9.082 13.991 14 HB3 PRO 2 1HB PRO 2 7.214 -10.597 13.664 15 HG2 PRO 2 2HG PRO 2 6.700 -8.287 11.874 16 HG3 PRO 2 1HG PRO 2 8.117 -9.344 11.978 17 HD2 PRO 2 2HD PRO 2 6.235 -9.572 10.005 18 HD3 PRO 2 1HD PRO 2 7.192 -10.948 10.602 19 H GLU 3 H GLU 3 3.908 -10.479 15.103 20 HA GLU 3 HA GLU 3 1.579 -9.032 14.273 21 HB2 GLU 3 2HB GLU 3 2.798 -9.416 17.025 22 HB3 GLU 3 1HB GLU 3 1.194 -8.752 16.726 23 HG2 GLU 3 2HG GLU 3 0.565 -10.846 15.548 24 HG3 GLU 3 1HG GLU 3 2.153 -11.514 15.928 25 H GLU 4 H GLU 4 4.732 -8.069 15.449 26 HA GLU 4 HA GLU 4 3.894 -5.240 15.682 27 HB2 GLU 4 2HB GLU 4 5.434 -6.294 17.366 28 HB3 GLU 4 1HB GLU 4 6.628 -6.456 16.082 29 HG2 GLU 4 2HG GLU 4 6.529 -3.996 15.711 30 HG3 GLU 4 1HG GLU 4 5.416 -3.863 17.076 31 H ILE 5 H ILE 5 4.722 -3.614 14.309 32 HA ILE 5 HA ILE 5 6.036 -4.632 11.822 33 HB ILE 5 HB ILE 5 4.671 -2.057 11.605 34 HG12 ILE 5 2HG1 ILE 5 3.185 -3.184 13.250 35 HG13 ILE 5 1HG1 ILE 5 2.408 -2.903 11.699 36 HG21 ILE 5 1HG2 ILE 5 5.476 -3.263 9.677 37 HG22 ILE 5 2HG2 ILE 5 3.714 -3.199 9.622 38 HG23 ILE 5 3HG2 ILE 5 4.525 -4.677 10.130 39 HD11 ILE 5 1HD1 ILE 5 2.455 -5.313 12.975 40 HD12 ILE 5 2HD1 ILE 5 3.843 -5.460 11.897 41 HD13 ILE 5 3HD1 ILE 5 2.248 -5.104 11.236 42 HA PRO 6 HA PRO 6 8.963 -1.576 13.584 43 HB2 PRO 6 2HB PRO 6 11.240 -2.981 13.038 44 HB3 PRO 6 1HB PRO 6 10.263 -3.252 14.494 45 HG2 PRO 6 2HG PRO 6 10.493 -4.880 12.045 46 HG3 PRO 6 1HG PRO 6 10.118 -5.372 13.702 47 HD2 PRO 6 2HD PRO 6 8.258 -5.039 11.602 48 HD3 PRO 6 1HD PRO 6 7.872 -5.233 13.324 49 H ASP 7 H ASP 7 10.835 -0.439 12.442 50 HA ASP 7 HA ASP 7 10.087 0.248 9.771 51 HB2 ASP 7 2HB ASP 7 12.249 1.499 9.754 52 HB3 ASP 7 1HB ASP 7 11.283 1.826 11.192 53 H VAL 8 H VAL 8 10.564 -0.760 7.893 54 HA VAL 8 HA VAL 8 13.004 -2.463 7.743 55 HB VAL 8 HB VAL 8 11.012 -3.918 8.204 56 HG11 VAL 8 1HG1 VAL 8 9.955 -3.585 5.480 57 HG12 VAL 8 2HG1 VAL 8 9.708 -2.178 6.514 58 HG13 VAL 8 3HG1 VAL 8 9.092 -3.754 7.009 59 HG21 VAL 8 1HG2 VAL 8 12.149 -5.453 7.010 60 HG22 VAL 8 2HG2 VAL 8 12.976 -4.150 6.155 61 HG23 VAL 8 3HG2 VAL 8 11.473 -4.811 5.513 62 H ARG 9 H ARG 9 14.016 -2.364 5.716 63 HA ARG 9 HA ARG 9 12.621 -0.715 3.638 64 HB2 ARG 9 2HB ARG 9 14.434 0.550 4.768 65 HB3 ARG 9 1HB ARG 9 15.577 -0.711 4.297 66 HG2 ARG 9 2HG ARG 9 15.044 -0.292 1.915 67 HG3 ARG 9 1HG ARG 9 13.939 0.994 2.397 68 HD2 ARG 9 2HD ARG 9 15.845 2.156 3.516 69 HD3 ARG 9 1HD ARG 9 16.928 0.908 2.900 70 HE ARG 9 HE ARG 9 15.377 2.130 0.775 71 HH11 ARG 9 1HH1 ARG 9 16.520 3.464 -0.649 72 HH12 ARG 9 2HH1 ARG 9 18.088 4.045 -0.199 73 HH21 ARG 9 1HH2 ARG 9 18.090 2.447 2.878 74 HH22 ARG 9 2HH2 ARG 9 18.977 3.470 1.797 75 H LYS 10 H LYS 10 12.369 -1.796 1.768 76 HA LYS 10 HA LYS 10 14.444 -3.765 0.952 77 HB2 LYS 10 2HB LYS 10 11.456 -4.298 0.877 78 HB3 LYS 10 1HB LYS 10 12.710 -5.368 0.251 79 HG2 LYS 10 2HG LYS 10 13.692 -5.495 2.541 80 HG3 LYS 10 1HG LYS 10 12.343 -4.531 3.141 81 HD2 LYS 10 2HD LYS 10 10.771 -6.265 2.260 82 HD3 LYS 10 1HD LYS 10 12.165 -7.251 1.816 83 HE2 LYS 10 2HE LYS 10 12.665 -6.547 4.465 84 HE3 LYS 10 1HE LYS 10 10.931 -6.867 4.433 85 HZ1 LYS 10 1HZ LYS 10 11.566 -8.990 4.612 86 HZ2 LYS 10 2HZ LYS 10 13.151 -8.682 4.085 87 HZ3 LYS 10 3HZ LYS 10 11.900 -8.884 2.953 88 H SER 11 H SER 11 14.330 -4.194 -1.420 89 HA SER 11 HA SER 11 12.689 -2.311 -2.981 90 HB2 SER 11 2HB SER 11 14.577 -1.270 -4.075 91 HB3 SER 11 1HB SER 11 14.731 -1.055 -2.331 92 HG SER 11 HG SER 11 16.205 -2.753 -2.302 93 H VAL 12 H VAL 12 12.453 -2.937 -5.142 94 HA VAL 12 HA VAL 12 14.020 -5.175 -6.211 95 HB VAL 12 HB VAL 12 11.132 -5.448 -5.437 96 HG11 VAL 12 1HG1 VAL 12 12.715 -6.919 -7.539 97 HG12 VAL 12 2HG1 VAL 12 11.114 -6.196 -7.687 98 HG13 VAL 12 3HG1 VAL 12 11.334 -7.667 -6.739 99 HG21 VAL 12 1HG2 VAL 12 12.075 -7.691 -4.621 100 HG22 VAL 12 2HG2 VAL 12 12.596 -6.257 -3.737 101 HG23 VAL 12 3HG2 VAL 12 13.671 -7.002 -4.921 102 H VAL 13 H VAL 13 13.536 -5.540 -8.489 103 HA VAL 13 HA VAL 13 12.333 -3.124 -9.735 104 HB VAL 13 HB VAL 13 14.135 -5.229 -10.961 105 HG11 VAL 13 1HG1 VAL 13 13.638 -4.235 -12.921 106 HG12 VAL 13 2HG1 VAL 13 14.179 -2.687 -12.273 107 HG13 VAL 13 3HG1 VAL 13 12.495 -3.178 -12.092 108 HG21 VAL 13 1HG2 VAL 13 15.203 -2.539 -10.643 109 HG22 VAL 13 2HG2 VAL 13 15.896 -4.080 -10.139 110 HG23 VAL 13 3HG2 VAL 13 14.750 -3.244 -9.091 111 H VAL 14 H VAL 14 10.591 -3.299 -11.064 112 HA VAL 14 HA VAL 14 9.526 -6.043 -11.587 113 HB VAL 14 HB VAL 14 8.209 -4.925 -9.830 114 HG11 VAL 14 1HG1 VAL 14 7.182 -2.831 -11.639 115 HG12 VAL 14 2HG1 VAL 14 8.865 -2.612 -11.155 116 HG13 VAL 14 3HG1 VAL 14 7.603 -2.733 -9.929 117 HG21 VAL 14 1HG2 VAL 14 7.205 -6.163 -12.021 118 HG22 VAL 14 2HG2 VAL 14 6.429 -4.588 -12.196 119 HG23 VAL 14 3HG2 VAL 14 6.187 -5.532 -10.728 120 H ALA 15 H ALA 15 8.325 -6.243 -13.594 121 HA ALA 15 HA ALA 15 9.354 -4.533 -15.708 122 HB1 ALA 15 1HB ALA 15 7.013 -6.365 -16.106 123 HB2 ALA 15 2HB ALA 15 8.594 -7.069 -15.768 124 HB3 ALA 15 3HB ALA 15 8.369 -6.045 -17.186 125 H ALA 16 H ALA 16 8.550 -2.395 -15.286 126 HA ALA 16 HA ALA 16 5.861 -1.871 -16.195 127 HB1 ALA 16 1HB ALA 16 6.218 -1.181 -13.295 128 HB2 ALA 16 2HB ALA 16 5.693 -2.807 -13.730 129 HB3 ALA 16 3HB ALA 16 4.729 -1.411 -14.211 130 H SER 17 H SER 17 5.386 0.492 -16.024 131 HA SER 17 HA SER 17 7.920 2.052 -15.977 132 HB2 SER 17 2HB SER 17 5.224 2.758 -17.180 133 HB3 SER 17 1HB SER 17 6.691 3.723 -17.308 134 HG SER 17 HG SER 17 7.340 1.302 -18.062 135 H VAL 18 H VAL 18 7.968 4.002 -14.695 136 HA VAL 18 HA VAL 18 6.698 3.901 -12.203 137 HB VAL 18 HB VAL 18 7.269 6.324 -12.024 138 HG11 VAL 18 1HG1 VAL 18 9.535 4.952 -13.431 139 HG12 VAL 18 2HG1 VAL 18 8.926 4.288 -11.919 140 HG13 VAL 18 3HG1 VAL 18 9.573 5.928 -11.964 141 HG21 VAL 18 1HG2 VAL 18 8.533 7.243 -14.054 142 HG22 VAL 18 2HG2 VAL 18 6.781 7.132 -14.221 143 HG23 VAL 18 3HG2 VAL 18 7.815 5.918 -14.971 144 H GLU 19 H GLU 19 5.660 5.653 -15.127 145 HA GLU 19 HA GLU 19 3.328 6.822 -13.963 146 HB2 GLU 19 2HB GLU 19 4.282 7.443 -16.200 147 HB3 GLU 19 1HB GLU 19 3.677 5.912 -16.825 148 HG2 GLU 19 2HG GLU 19 1.377 6.569 -16.129 149 HG3 GLU 19 1HG GLU 19 2.010 8.135 -15.621 150 H HIS 20 H HIS 20 3.923 3.701 -15.521 151 HA HIS 20 HA HIS 20 1.194 2.798 -15.434 152 HB2 HIS 20 2HB HIS 20 2.681 1.632 -16.903 153 HB3 HIS 20 1HB HIS 20 3.813 1.300 -15.587 154 HD1 HIS 20 1HD HIS 20 0.767 0.013 -17.212 155 HD2 HIS 20 2HD HIS 20 2.716 -0.558 -13.561 156 HE1 HIS 20 1HE HIS 20 -0.258 -2.043 -16.154 157 HE2 HIS 20 2HE HIS 20 0.939 -2.419 -13.960 158 H CYS 21 H CYS 21 3.973 2.269 -13.289 159 HA CYS 21 HA CYS 21 2.859 0.487 -11.459 160 HB2 CYS 21 2HB CYS 21 4.637 2.872 -10.868 161 HB3 CYS 21 1HB CYS 21 4.407 1.487 -9.807 162 HG CYS 21 HG CYS 21 6.565 1.302 -11.500 163 H PHE 22 H PHE 22 2.610 4.028 -11.480 164 HA PHE 22 HA PHE 22 0.796 3.938 -9.197 165 HB2 PHE 22 2HB PHE 22 2.324 5.982 -10.564 166 HB3 PHE 22 1HB PHE 22 0.665 6.512 -10.243 167 HD1 PHE 22 1HD PHE 22 3.645 4.934 -8.677 168 HD2 PHE 22 2HD PHE 22 -0.053 7.019 -8.036 169 HE1 PHE 22 1HE PHE 22 4.163 5.106 -6.266 170 HE2 PHE 22 2HE PHE 22 0.465 7.199 -5.617 171 HZ PHE 22 HZ PHE 22 2.578 6.234 -4.735 172 H GLU 23 H GLU 23 0.516 3.999 -12.663 173 HA GLU 23 HA GLU 23 -2.137 5.026 -12.857 174 HB2 GLU 23 2HB GLU 23 -0.715 4.553 -14.840 175 HB3 GLU 23 1HB GLU 23 -0.863 2.830 -14.501 176 HG2 GLU 23 2HG GLU 23 -3.319 2.998 -14.726 177 HG3 GLU 23 1HG GLU 23 -3.151 4.710 -15.129 178 H VAL 24 H VAL 24 -0.864 1.789 -12.211 179 HA VAL 24 HA VAL 24 -3.402 0.475 -12.070 180 HB VAL 24 HB VAL 24 -0.727 -0.159 -10.775 181 HG11 VAL 24 1HG1 VAL 24 -2.155 -2.511 -11.005 182 HG12 VAL 24 2HG1 VAL 24 -3.385 -1.358 -10.488 183 HG13 VAL 24 3HG1 VAL 24 -1.933 -1.593 -9.516 184 HG21 VAL 24 1HG2 VAL 24 -0.939 -2.010 -12.620 185 HG22 VAL 24 2HG2 VAL 24 -0.443 -0.385 -13.095 186 HG23 VAL 24 3HG2 VAL 24 -2.108 -0.909 -13.347 187 H PHE 25 H PHE 25 -1.365 2.110 -9.678 188 HA PHE 25 HA PHE 25 -2.840 1.468 -7.343 189 HB2 PHE 25 2HB PHE 25 -1.169 3.853 -8.115 190 HB3 PHE 25 1HB PHE 25 -1.895 3.704 -6.525 191 HD1 PHE 25 1HD PHE 25 -0.970 0.500 -8.011 192 HD2 PHE 25 2HD PHE 25 0.517 3.849 -5.748 193 HE1 PHE 25 1HE PHE 25 0.918 -0.860 -7.234 194 HE2 PHE 25 2HE PHE 25 2.421 2.473 -4.982 195 HZ PHE 25 HZ PHE 25 2.609 0.105 -5.718 196 H THR 26 H THR 26 -3.266 4.219 -9.587 197 HA THR 26 HA THR 26 -5.713 4.936 -8.079 198 HB THR 26 HB THR 26 -5.685 6.997 -9.387 199 HG1 THR 26 1HG THR 26 -4.663 5.838 -11.229 200 HG21 THR 26 1HG2 THR 26 -3.022 7.405 -8.762 201 HG22 THR 26 2HG2 THR 26 -3.489 6.080 -7.698 202 HG23 THR 26 3HG2 THR 26 -4.380 7.603 -7.652 203 H SER 27 H SER 27 -4.966 2.968 -10.682 204 HA SER 27 HA SER 27 -7.428 3.657 -12.170 205 HB2 SER 27 2HB SER 27 -5.258 1.632 -12.713 206 HB3 SER 27 1HB SER 27 -6.655 1.886 -13.741 207 HG SER 27 HG SER 27 -5.252 3.255 -14.606 208 H ARG 28 H ARG 28 -6.002 0.702 -10.687 209 HA ARG 28 HA ARG 28 -8.608 -0.067 -9.618 210 HB2 ARG 28 2HB ARG 28 -8.367 -2.314 -11.025 211 HB3 ARG 28 1HB ARG 28 -9.234 -0.924 -11.664 212 HG2 ARG 28 2HG ARG 28 -7.663 -1.827 -13.335 213 HG3 ARG 28 1HG ARG 28 -7.200 -0.199 -12.863 214 HD2 ARG 28 2HD ARG 28 -5.496 -1.098 -11.351 215 HD3 ARG 28 1HD ARG 28 -5.998 -2.747 -11.728 216 HE ARG 28 HE ARG 28 -4.304 -1.062 -13.379 217 HH11 ARG 28 1HH1 ARG 28 -3.649 -1.946 -15.352 218 HH12 ARG 28 2HH1 ARG 28 -4.475 -3.333 -15.981 219 HH21 ARG 28 1HH2 ARG 28 -6.687 -3.552 -13.319 220 HH22 ARG 28 2HH2 ARG 28 -6.195 -4.242 -14.830 221 HA PRO 29 HA PRO 29 -4.637 -1.812 -7.741 222 HB2 PRO 29 2HB PRO 29 -5.194 -0.965 -5.176 223 HB3 PRO 29 1HB PRO 29 -4.204 -0.069 -6.345 224 HG2 PRO 29 2HG PRO 29 -7.055 0.306 -5.599 225 HG3 PRO 29 1HG PRO 29 -5.810 1.502 -5.962 226 HD2 PRO 29 2HD PRO 29 -7.724 0.839 -7.762 227 HD3 PRO 29 1HD PRO 29 -6.083 1.308 -8.262 228 H ALA 30 H ALA 30 -7.862 -1.717 -6.238 229 HA ALA 30 HA ALA 30 -7.470 -4.173 -4.769 230 HB1 ALA 30 1HB ALA 30 -9.460 -2.126 -4.952 231 HB2 ALA 30 2HB ALA 30 -9.288 -3.372 -3.721 232 HB3 ALA 30 3HB ALA 30 -10.251 -3.687 -5.166 233 H ASP 31 H ASP 31 -8.669 -3.436 -7.988 234 HA ASP 31 HA ASP 31 -10.132 -5.793 -8.517 235 HB2 ASP 31 2HB ASP 31 -9.817 -3.757 -10.034 236 HB3 ASP 31 1HB ASP 31 -8.299 -4.506 -10.537 237 H TRP 32 H TRP 32 -6.614 -5.323 -8.419 238 HA TRP 32 HA TRP 32 -6.240 -8.096 -9.405 239 HB2 TRP 32 2HB TRP 32 -4.230 -7.379 -10.147 240 HB3 TRP 32 1HB TRP 32 -4.703 -5.751 -9.660 241 HD1 TRP 32 HD TRP 32 -2.907 -8.854 -8.264 242 HE1 TRP 32 1HE TRP 32 -1.312 -8.106 -6.389 243 HE3 TRP 32 3HE TRP 32 -4.044 -3.912 -8.094 244 HZ2 TRP 32 2HZ TRP 32 -0.608 -5.708 -5.013 245 HZ3 TRP 32 3HZ TRP 32 -2.884 -2.397 -6.491 246 HH2 TRP 32 HH TRP 32 -1.162 -3.291 -4.956 247 H TRP 33 H TRP 33 -6.384 -9.681 -7.914 248 HA TRP 33 HA TRP 33 -5.486 -9.097 -5.129 249 HB2 TRP 33 2HB TRP 33 -6.921 -11.487 -5.071 250 HB3 TRP 33 1HB TRP 33 -7.534 -9.904 -4.594 251 HD1 TRP 33 HD TRP 33 -9.545 -9.063 -5.896 252 HE1 TRP 33 1HE TRP 33 -10.667 -9.650 -8.141 253 HE3 TRP 33 3HE TRP 33 -6.218 -12.505 -7.672 254 HZ2 TRP 33 2HZ TRP 33 -10.213 -11.355 -10.394 255 HZ3 TRP 33 3HZ TRP 33 -6.585 -13.593 -9.867 256 HH2 TRP 33 HH TRP 33 -8.578 -13.023 -11.229 257 HA PRO 34 HA PRO 34 -2.224 -12.074 -5.285 258 HB2 PRO 34 2HB PRO 34 -3.548 -13.787 -3.256 259 HB3 PRO 34 1HB PRO 34 -1.940 -13.042 -3.229 260 HG2 PRO 34 2HG PRO 34 -3.986 -12.131 -1.749 261 HG3 PRO 34 1HG PRO 34 -2.717 -11.076 -2.389 262 HD2 PRO 34 2HD PRO 34 -5.545 -11.350 -3.263 263 HD3 PRO 34 1HD PRO 34 -4.444 -9.961 -3.388 264 HA PRO 35 HA PRO 35 -4.416 -15.177 -7.846 265 HB2 PRO 35 2HB PRO 35 -2.382 -15.633 -9.609 266 HB3 PRO 35 1HB PRO 35 -3.489 -14.255 -9.741 267 HG2 PRO 35 2HG PRO 35 -0.694 -14.350 -8.785 268 HG3 PRO 35 1HG PRO 35 -1.564 -13.056 -9.622 269 HD2 PRO 35 2HD PRO 35 -1.033 -13.133 -6.880 270 HD3 PRO 35 1HD PRO 35 -2.254 -12.106 -7.659 271 H SER 36 H SER 36 -1.696 -15.418 -5.855 272 HA SER 36 HA SER 36 -0.744 -18.046 -6.416 273 HB2 SER 36 2HB SER 36 -0.871 -16.606 -3.751 274 HB3 SER 36 1HB SER 36 0.133 -18.007 -4.114 275 HG SER 36 HG SER 36 0.976 -16.622 -5.884 276 H HIS 37 H HIS 37 -1.105 -19.938 -4.863 277 HA HIS 37 HA HIS 37 -3.703 -20.914 -4.985 278 HB2 HIS 37 2HB HIS 37 -1.626 -21.464 -2.844 279 HB3 HIS 37 1HB HIS 37 -3.069 -22.442 -3.115 280 HD1 HIS 37 1HD HIS 37 -0.321 -23.752 -3.491 281 HD2 HIS 37 2HD HIS 37 -2.413 -21.906 -6.593 282 HE1 HIS 37 1HE HIS 37 0.568 -24.744 -5.648 283 HE2 HIS 37 2HE HIS 37 -0.698 -23.628 -7.540 284 H VAL 38 H VAL 38 -2.353 -18.693 -2.611 285 HA VAL 38 HA VAL 38 -4.899 -18.809 -1.070 286 HB VAL 38 HB VAL 38 -2.316 -17.351 -0.431 287 HG11 VAL 38 1HG1 VAL 38 -3.531 -16.358 1.182 288 HG12 VAL 38 2HG1 VAL 38 -3.883 -17.948 1.861 289 HG13 VAL 38 3HG1 VAL 38 -4.972 -17.237 0.669 290 HG21 VAL 38 1HG2 VAL 38 -2.825 -20.104 -0.398 291 HG22 VAL 38 2HG2 VAL 38 -3.055 -19.596 1.275 292 HG23 VAL 38 3HG2 VAL 38 -1.526 -19.273 0.459 293 H LEU 39 H LEU 39 -6.380 -17.216 -1.288 294 HA LEU 39 HA LEU 39 -5.563 -14.713 -2.711 295 HB2 LEU 39 2HB LEU 39 -8.245 -16.133 -2.735 296 HB3 LEU 39 1HB LEU 39 -7.895 -14.606 -3.545 297 HG LEU 39 HG LEU 39 -5.885 -16.072 -4.557 298 HD11 LEU 39 1HD1 LEU 39 -8.121 -18.041 -3.983 299 HD12 LEU 39 2HD1 LEU 39 -6.471 -18.119 -3.365 300 HD13 LEU 39 3HD1 LEU 39 -6.778 -18.345 -5.086 301 HD21 LEU 39 1HD2 LEU 39 -7.551 -14.850 -5.875 302 HD22 LEU 39 2HD2 LEU 39 -8.762 -16.082 -5.523 303 HD23 LEU 39 3HD2 LEU 39 -7.365 -16.480 -6.522 304 H VAL 40 H VAL 40 -6.976 -12.795 -2.086 305 HA VAL 40 HA VAL 40 -6.902 -12.296 0.678 306 HB VAL 40 HB VAL 40 -8.803 -11.124 -1.389 307 HG11 VAL 40 1HG1 VAL 40 -9.560 -10.717 0.937 308 HG12 VAL 40 2HG1 VAL 40 -8.992 -9.230 0.181 309 HG13 VAL 40 3HG1 VAL 40 -7.967 -10.079 1.339 310 HG21 VAL 40 1HG2 VAL 40 -5.988 -10.935 -1.066 311 HG22 VAL 40 2HG2 VAL 40 -6.666 -9.402 -0.523 312 HG23 VAL 40 3HG2 VAL 40 -7.011 -9.992 -2.149 313 H LYS 41 H LYS 41 -8.188 -12.933 2.364 314 HA LYS 41 HA LYS 41 -10.146 -14.975 2.036 315 HB2 LYS 41 2HB LYS 41 -8.894 -14.506 4.152 316 HB3 LYS 41 1HB LYS 41 -9.886 -13.065 4.364 317 HG2 LYS 41 2HG LYS 41 -11.925 -14.480 4.335 318 HG3 LYS 41 1HG LYS 41 -10.907 -15.913 4.191 319 HD2 LYS 41 2HD LYS 41 -9.778 -15.254 6.333 320 HD3 LYS 41 1HD LYS 41 -10.952 -13.947 6.497 321 HE2 LYS 41 2HE LYS 41 -12.709 -15.882 6.146 322 HE3 LYS 41 1HE LYS 41 -11.382 -16.910 6.684 323 HZ1 LYS 41 1HZ LYS 41 -12.096 -14.484 8.196 324 HZ2 LYS 41 2HZ LYS 41 -11.299 -15.884 8.733 325 HZ3 LYS 41 3HZ LYS 41 -12.970 -15.920 8.425 326 H LYS 42 H LYS 42 -10.456 -11.459 2.357 327 HA LYS 42 HA LYS 42 -13.395 -11.674 2.144 328 HB2 LYS 42 2HB LYS 42 -11.613 -9.244 2.382 329 HB3 LYS 42 1HB LYS 42 -13.365 -9.254 2.503 330 HG2 LYS 42 2HG LYS 42 -13.132 -10.860 4.443 331 HG3 LYS 42 1HG LYS 42 -11.394 -10.555 4.391 332 HD2 LYS 42 2HD LYS 42 -13.559 -8.473 4.807 333 HD3 LYS 42 1HD LYS 42 -12.442 -9.072 6.034 334 HE2 LYS 42 2HE LYS 42 -10.628 -8.329 4.228 335 HE3 LYS 42 1HE LYS 42 -11.925 -7.242 3.727 336 HZ1 LYS 42 1HZ LYS 42 -10.905 -5.998 5.331 337 HZ2 LYS 42 2HZ LYS 42 -10.457 -7.344 6.267 338 HZ3 LYS 42 3HZ LYS 42 -12.065 -6.796 6.277 339 H GLU 43 H GLU 43 -14.533 -10.757 0.348 340 HA GLU 43 HA GLU 43 -12.924 -10.698 -2.126 341 HB2 GLU 43 2HB GLU 43 -15.089 -11.960 -2.011 342 HB3 GLU 43 1HB GLU 43 -15.914 -10.418 -1.811 343 HG2 GLU 43 2HG GLU 43 -14.929 -9.639 -3.960 344 HG3 GLU 43 1HG GLU 43 -14.210 -11.236 -4.177 345 H ARG 44 H ARG 44 -12.233 -8.806 -2.975 346 HA ARG 44 HA ARG 44 -12.819 -6.263 -1.774 347 HB2 ARG 44 2HB ARG 44 -11.664 -6.978 -4.491 348 HB3 ARG 44 1HB ARG 44 -11.647 -5.359 -3.787 349 HG2 ARG 44 2HG ARG 44 -10.308 -6.113 -1.915 350 HG3 ARG 44 1HG ARG 44 -10.458 -7.793 -2.425 351 HD2 ARG 44 2HD ARG 44 -9.230 -7.285 -4.490 352 HD3 ARG 44 1HD ARG 44 -9.089 -5.599 -4.001 353 HE ARG 44 HE ARG 44 -8.019 -7.208 -1.916 354 HH11 ARG 44 1HH1 ARG 44 -5.779 -7.459 -1.764 355 HH12 ARG 44 2HH1 ARG 44 -4.789 -7.158 -3.153 356 HH21 ARG 44 1HH2 ARG 44 -7.459 -6.331 -5.204 357 HH22 ARG 44 2HH2 ARG 44 -5.741 -6.520 -5.100 358 H ALA 45 H ALA 45 -14.336 -4.709 -2.368 359 HA ALA 45 HA ALA 45 -16.401 -5.627 -4.325 360 HB1 ALA 45 1HB ALA 45 -17.650 -5.381 -2.431 361 HB2 ALA 45 2HB ALA 45 -17.646 -3.682 -2.909 362 HB3 ALA 45 3HB ALA 45 -16.500 -4.262 -1.698 363 H GLY 46 H GLY 46 -14.786 -2.652 -3.148 364 HA2 GLY 46 2HA GLY 46 -14.901 -1.603 -5.910 365 HA3 GLY 46 1HA GLY 46 -15.787 -0.683 -4.701 366 H LEU 47 H LEU 47 -13.850 0.707 -5.889 367 HA LEU 47 HA LEU 47 -11.874 1.065 -3.732 368 HB2 LEU 47 2HB LEU 47 -10.362 1.239 -6.136 369 HB3 LEU 47 1HB LEU 47 -10.148 0.103 -4.807 370 HG LEU 47 HG LEU 47 -11.726 -1.461 -5.844 371 HD11 LEU 47 1HD1 LEU 47 -13.305 -0.654 -7.236 372 HD12 LEU 47 2HD1 LEU 47 -12.045 -0.410 -8.444 373 HD13 LEU 47 3HD1 LEU 47 -12.473 0.895 -7.343 374 HD21 LEU 47 1HD2 LEU 47 -10.223 -0.937 -8.269 375 HD22 LEU 47 2HD2 LEU 47 -10.060 -2.270 -7.129 376 HD23 LEU 47 3HD2 LEU 47 -9.207 -0.752 -6.841 377 H ALA 48 H ALA 48 -11.502 3.230 -3.453 378 HA ALA 48 HA ALA 48 -12.245 5.053 -5.707 379 HB1 ALA 48 1HB ALA 48 -13.338 5.000 -3.149 380 HB2 ALA 48 2HB ALA 48 -13.419 6.356 -4.274 381 HB3 ALA 48 3HB ALA 48 -12.143 6.296 -3.059 382 H PHE 49 H PHE 49 -10.659 6.473 -6.383 383 HA PHE 49 HA PHE 49 -8.263 6.793 -4.647 384 HB2 PHE 49 2HB PHE 49 -8.437 5.358 -7.202 385 HB3 PHE 49 1HB PHE 49 -7.164 6.580 -7.154 386 HD1 PHE 49 1HD PHE 49 -5.129 6.102 -6.110 387 HD2 PHE 49 2HD PHE 49 -8.599 3.766 -5.157 388 HE1 PHE 49 1HE PHE 49 -3.723 4.573 -4.763 389 HE2 PHE 49 2HE PHE 49 -7.200 2.237 -3.811 390 HZ PHE 49 HZ PHE 49 -4.754 2.641 -3.621 391 H GLU 50 H GLU 50 -7.689 8.903 -4.571 392 HA GLU 50 HA GLU 50 -8.239 10.580 -6.978 393 HB2 GLU 50 2HB GLU 50 -9.980 11.046 -5.309 394 HB3 GLU 50 1HB GLU 50 -8.751 11.357 -4.094 395 HG2 GLU 50 2HG GLU 50 -7.867 13.197 -5.599 396 HG3 GLU 50 1HG GLU 50 -9.294 12.951 -6.605 397 HA PRO 51 HA PRO 51 -3.910 11.513 -6.135 398 HB2 PRO 51 2HB PRO 51 -3.434 13.329 -8.059 399 HB3 PRO 51 1HB PRO 51 -3.769 11.630 -8.454 400 HG2 PRO 51 2HG PRO 51 -5.580 13.994 -8.582 401 HG3 PRO 51 1HG PRO 51 -5.408 12.642 -9.713 402 HD2 PRO 51 2HD PRO 51 -7.404 12.821 -7.803 403 HD3 PRO 51 1HD PRO 51 -6.842 11.303 -8.532 404 H PHE 52 H PHE 52 -2.734 13.016 -4.888 405 HA PHE 52 HA PHE 52 -2.958 15.783 -4.768 406 HB2 PHE 52 2HB PHE 52 -4.399 15.869 -2.545 407 HB3 PHE 52 1HB PHE 52 -5.180 15.939 -4.119 408 HD1 PHE 52 1HD PHE 52 -3.699 12.734 -3.050 409 HD2 PHE 52 2HD PHE 52 -7.283 15.105 -3.074 410 HE1 PHE 52 1HE PHE 52 -5.025 10.729 -2.513 411 HE2 PHE 52 2HE PHE 52 -8.601 13.078 -2.507 412 HZ PHE 52 HZ PHE 52 -7.454 10.887 -2.239 413 H VAL 53 H VAL 53 -2.375 16.649 -2.427 414 HA VAL 53 HA VAL 53 -0.236 14.881 -1.375 415 HB VAL 53 HB VAL 53 0.802 16.920 -1.482 416 HG11 VAL 53 1HG1 VAL 53 -0.468 19.083 -1.430 417 HG12 VAL 53 2HG1 VAL 53 -1.956 18.154 -1.250 418 HG13 VAL 53 3HG1 VAL 53 -0.986 17.993 -2.716 419 HG21 VAL 53 1HG2 VAL 53 -0.899 17.614 0.926 420 HG22 VAL 53 2HG2 VAL 53 0.762 18.103 0.598 421 HG23 VAL 53 3HG2 VAL 53 0.403 16.424 0.994 422 H GLY 54 H GLY 54 -0.336 14.123 0.833 423 HA2 GLY 54 2HA GLY 54 -1.471 13.549 2.843 424 HA3 GLY 54 1HA GLY 54 -2.355 15.082 2.686 425 H GLY 55 H GLY 55 -2.072 12.742 0.194 426 HA2 GLY 55 2HA GLY 55 -4.839 12.717 -0.432 427 HA3 GLY 55 1HA GLY 55 -3.598 11.677 -1.102 428 H ARG 56 H ARG 56 -5.879 10.455 -0.966 429 HA ARG 56 HA ARG 56 -5.486 8.572 1.295 430 HB2 ARG 56 2HB ARG 56 -8.089 10.007 0.719 431 HB3 ARG 56 1HB ARG 56 -7.941 8.620 1.798 432 HG2 ARG 56 2HG ARG 56 -6.261 9.900 3.139 433 HG3 ARG 56 1HG ARG 56 -6.559 11.300 2.109 434 HD2 ARG 56 2HD ARG 56 -8.618 9.886 3.827 435 HD3 ARG 56 1HD ARG 56 -7.906 11.468 4.148 436 HE ARG 56 HE ARG 56 -9.096 11.496 1.548 437 HH11 ARG 56 1HH1 ARG 56 -11.105 12.506 1.307 438 HH12 ARG 56 2HH1 ARG 56 -12.098 12.771 2.702 439 HH21 ARG 56 1HH2 ARG 56 -9.842 11.338 4.911 440 HH22 ARG 56 2HH2 ARG 56 -11.383 12.110 4.741 441 H TYR 57 H TYR 57 -6.197 6.491 0.883 442 HA TYR 57 HA TYR 57 -7.323 5.974 -1.837 443 HB2 TYR 57 2HB TYR 57 -5.521 4.136 -0.236 444 HB3 TYR 57 1HB TYR 57 -6.127 3.854 -1.861 445 HD1 TYR 57 1HD TYR 57 -3.220 4.322 -0.425 446 HD2 TYR 57 2HD TYR 57 -5.703 6.497 -3.190 447 HE1 TYR 57 1HE TYR 57 -1.220 5.451 -1.346 448 HE2 TYR 57 2HE TYR 57 -3.710 7.636 -4.085 449 HH TYR 57 HH TYR 57 -0.457 6.657 -3.117 450 H TYR 58 H TYR 58 -9.067 4.566 -1.914 451 HA TYR 58 HA TYR 58 -10.094 3.640 0.743 452 HB2 TYR 58 2HB TYR 58 -11.701 4.587 -1.629 453 HB3 TYR 58 1HB TYR 58 -12.310 4.216 -0.018 454 HD1 TYR 58 1HD TYR 58 -12.436 5.910 1.604 455 HD2 TYR 58 2HD TYR 58 -9.864 6.416 -1.798 456 HE1 TYR 58 1HE TYR 58 -11.943 8.232 2.315 457 HE2 TYR 58 2HE TYR 58 -9.367 8.728 -1.084 458 HH TYR 58 HH TYR 58 -10.925 10.134 1.802 459 H GLU 59 H GLU 59 -11.105 1.669 0.843 460 HA GLU 59 HA GLU 59 -11.296 0.021 -1.651 461 HB2 GLU 59 2HB GLU 59 -9.271 -0.653 -0.319 462 HB3 GLU 59 1HB GLU 59 -10.332 -0.995 1.048 463 HG2 GLU 59 2HG GLU 59 -11.588 -2.607 -0.382 464 HG3 GLU 59 1HG GLU 59 -10.427 -2.318 -1.678 465 H TRP 60 H TRP 60 -13.129 -1.290 -1.685 466 HA TRP 60 HA TRP 60 -15.080 -0.788 0.523 467 HB2 TRP 60 2HB TRP 60 -15.248 -0.975 -2.388 468 HB3 TRP 60 1HB TRP 60 -16.447 -1.983 -1.578 469 HD1 TRP 60 HD TRP 60 -17.719 -0.538 0.566 470 HE1 TRP 60 1HE TRP 60 -18.740 1.827 0.365 471 HE3 TRP 60 3HE TRP 60 -15.221 1.160 -3.556 472 HZ2 TRP 60 2HZ TRP 60 -18.508 4.140 -1.319 473 HZ3 TRP 60 3HZ TRP 60 -15.635 3.440 -4.433 474 HH2 TRP 60 HH TRP 60 -17.274 4.930 -3.321 475 H ASP 61 H ASP 61 -15.647 -2.506 1.780 476 HA ASP 61 HA ASP 61 -14.834 -5.232 0.829 477 HB2 ASP 61 2HB ASP 61 -15.128 -4.119 3.625 478 HB3 ASP 61 1HB ASP 61 -14.865 -5.824 3.278 479 H ILE 62 H ILE 62 -16.356 -6.869 0.914 480 HA ILE 62 HA ILE 62 -19.068 -6.271 0.517 481 HB ILE 62 HB ILE 62 -18.727 -8.870 1.773 482 HG12 ILE 62 2HG1 ILE 62 -17.200 -9.693 -0.093 483 HG13 ILE 62 1HG1 ILE 62 -16.773 -8.007 -0.346 484 HG21 ILE 62 1HG2 ILE 62 -19.225 -8.080 -1.103 485 HG22 ILE 62 2HG2 ILE 62 -20.484 -8.168 0.129 486 HG23 ILE 62 3HG2 ILE 62 -19.616 -9.627 -0.351 487 HD11 ILE 62 1HD1 ILE 62 -16.519 -8.263 2.386 488 HD12 ILE 62 2HD1 ILE 62 -15.183 -8.364 1.239 489 HD13 ILE 62 3HD1 ILE 62 -15.970 -9.836 1.808 490 H ASP 63 H ASP 63 -17.374 -7.030 3.532 491 HA ASP 63 HA ASP 63 -19.938 -6.659 5.008 492 HB2 ASP 63 2HB ASP 63 -17.253 -7.769 5.881 493 HB3 ASP 63 1HB ASP 63 -18.636 -7.557 6.956 494 H GLY 64 H GLY 64 -17.015 -5.091 4.185 495 HA2 GLY 64 2HA GLY 64 -17.415 -3.110 6.379 496 HA3 GLY 64 1HA GLY 64 -15.873 -3.375 5.573 497 H THR 65 H THR 65 -18.139 -1.167 5.808 498 HA THR 65 HA THR 65 -18.991 -0.490 3.198 499 HB THR 65 HB THR 65 -18.237 1.548 5.276 500 HG1 THR 65 1HG THR 65 -19.681 0.785 6.585 501 HG21 THR 65 1HG2 THR 65 -20.863 1.650 4.009 502 HG22 THR 65 2HG2 THR 65 -19.547 1.680 2.837 503 HG23 THR 65 3HG2 THR 65 -19.619 2.895 4.114 504 H GLU 66 H GLU 66 -17.862 2.266 3.233 505 HA GLU 66 HA GLU 66 -15.353 1.648 1.777 506 HB2 GLU 66 2HB GLU 66 -17.269 3.255 0.968 507 HB3 GLU 66 1HB GLU 66 -16.532 4.394 2.077 508 HG2 GLU 66 2HG GLU 66 -14.348 4.011 0.954 509 HG3 GLU 66 1HG GLU 66 -15.176 3.005 -0.231 510 H ILE 67 H ILE 67 -13.371 2.156 2.671 511 HA ILE 67 HA ILE 67 -13.311 4.110 4.902 512 HB ILE 67 HB ILE 67 -11.921 2.492 6.249 513 HG12 ILE 67 2HG1 ILE 67 -13.119 0.482 4.340 514 HG13 ILE 67 1HG1 ILE 67 -11.449 1.039 4.252 515 HG21 ILE 67 1HG2 ILE 67 -14.761 1.636 5.630 516 HG22 ILE 67 2HG2 ILE 67 -14.321 2.959 6.710 517 HG23 ILE 67 3HG2 ILE 67 -13.872 1.302 7.116 518 HD11 ILE 67 1HD1 ILE 67 -10.945 0.146 6.413 519 HD12 ILE 67 2HD1 ILE 67 -11.816 -1.122 5.551 520 HD13 ILE 67 3HD1 ILE 67 -12.650 -0.145 6.760 521 H VAL 68 H VAL 68 -11.053 4.665 5.544 522 HA VAL 68 HA VAL 68 -9.288 4.626 3.135 523 HB VAL 68 HB VAL 68 -9.017 6.367 5.599 524 HG11 VAL 68 1HG1 VAL 68 -7.945 6.552 2.770 525 HG12 VAL 68 2HG1 VAL 68 -7.012 6.197 4.223 526 HG13 VAL 68 3HG1 VAL 68 -7.731 7.792 4.005 527 HG21 VAL 68 1HG2 VAL 68 -9.974 7.902 3.443 528 HG22 VAL 68 2HG2 VAL 68 -10.849 7.486 4.916 529 HG23 VAL 68 3HG2 VAL 68 -10.996 6.465 3.486 530 H TRP 69 H TRP 69 -7.598 3.232 3.233 531 HA TRP 69 HA TRP 69 -6.685 2.356 5.950 532 HB2 TRP 69 2HB TRP 69 -5.615 0.513 4.258 533 HB3 TRP 69 1HB TRP 69 -7.178 0.332 5.056 534 HD1 TRP 69 HD TRP 69 -9.331 0.523 3.614 535 HE1 TRP 69 1HE TRP 69 -9.751 0.662 1.075 536 HE3 TRP 69 3HE TRP 69 -4.601 1.512 2.003 537 HZ2 TRP 69 2HZ TRP 69 -8.262 1.118 -1.326 538 HZ3 TRP 69 3HZ TRP 69 -4.122 1.783 -0.410 539 HH2 TRP 69 HH TRP 69 -5.947 1.584 -2.067 540 H GLY 70 H GLY 70 -5.797 4.490 3.646 541 HA2 GLY 70 2HA GLY 70 -2.997 4.386 4.513 542 HA3 GLY 70 1HA GLY 70 -3.240 4.088 2.794 543 H ARG 71 H ARG 71 -1.764 6.216 3.182 544 HA ARG 71 HA ARG 71 -3.550 8.483 2.508 545 HB2 ARG 71 2HB ARG 71 -2.684 8.318 5.077 546 HB3 ARG 71 1HB ARG 71 -1.320 9.156 4.351 547 HG2 ARG 71 2HG ARG 71 -2.867 10.844 3.410 548 HG3 ARG 71 1HG ARG 71 -4.212 10.037 4.215 549 HD2 ARG 71 2HD ARG 71 -3.544 11.837 5.650 550 HD3 ARG 71 1HD ARG 71 -2.926 10.363 6.393 551 HE ARG 71 HE ARG 71 -0.868 11.302 4.731 552 HH11 ARG 71 1HH1 ARG 71 0.787 12.594 5.567 553 HH12 ARG 71 2HH1 ARG 71 0.515 13.494 7.021 554 HH21 ARG 71 1HH2 ARG 71 -2.745 12.378 7.416 555 HH22 ARG 71 2HH2 ARG 71 -1.484 13.373 8.068 556 H ILE 72 H ILE 72 -1.877 10.432 2.004 557 HA ILE 72 HA ILE 72 0.477 9.304 0.587 558 HB ILE 72 HB ILE 72 -1.424 11.374 -0.550 559 HG12 ILE 72 2HG1 ILE 72 -0.806 8.558 -1.481 560 HG13 ILE 72 1HG1 ILE 72 -2.248 9.012 -0.581 561 HG21 ILE 72 1HG2 ILE 72 0.024 11.027 -2.595 562 HG22 ILE 72 2HG2 ILE 72 1.151 10.161 -1.556 563 HG23 ILE 72 3HG2 ILE 72 0.815 11.867 -1.263 564 HD11 ILE 72 1HD1 ILE 72 -1.632 9.410 -3.422 565 HD12 ILE 72 2HD1 ILE 72 -2.221 10.862 -2.633 566 HD13 ILE 72 3HD1 ILE 72 -3.194 9.390 -2.606 567 H LEU 73 H LEU 73 2.138 11.095 0.160 568 HA LEU 73 HA LEU 73 1.964 13.154 2.326 569 HB2 LEU 73 2HB LEU 73 4.265 11.596 1.175 570 HB3 LEU 73 1HB LEU 73 4.541 13.111 2.030 571 HG LEU 73 HG LEU 73 2.845 10.922 3.233 572 HD11 LEU 73 1HD1 LEU 73 5.830 11.252 3.606 573 HD12 LEU 73 2HD1 LEU 73 5.083 10.014 2.597 574 HD13 LEU 73 3HD1 LEU 73 4.798 10.022 4.337 575 HD21 LEU 73 1HD2 LEU 73 4.120 12.128 5.290 576 HD22 LEU 73 2HD2 LEU 73 2.591 12.719 4.643 577 HD23 LEU 73 3HD2 LEU 73 4.106 13.470 4.149 578 H GLU 74 H GLU 74 3.331 12.569 -0.904 579 HA GLU 74 HA GLU 74 2.408 15.111 -1.920 580 HB2 GLU 74 2HB GLU 74 4.329 15.861 -0.486 581 HB3 GLU 74 1HB GLU 74 5.398 14.847 -1.460 582 HG2 GLU 74 2HG GLU 74 4.682 16.108 -3.491 583 HG3 GLU 74 1HG GLU 74 3.721 17.168 -2.460 584 H TRP 75 H TRP 75 2.730 15.202 -4.212 585 HA TRP 75 HA TRP 75 3.669 12.622 -5.355 586 HB2 TRP 75 2HB TRP 75 2.289 13.118 -7.262 587 HB3 TRP 75 1HB TRP 75 1.324 13.457 -5.822 588 HD1 TRP 75 HD TRP 75 1.096 16.064 -5.099 589 HE1 TRP 75 1HE TRP 75 1.118 18.199 -6.546 590 HE3 TRP 75 3HE TRP 75 3.224 14.221 -9.359 591 HZ2 TRP 75 2HZ TRP 75 1.931 19.015 -9.164 592 HZ3 TRP 75 3HZ TRP 75 3.610 15.696 -11.312 593 HH2 TRP 75 HH TRP 75 2.967 18.089 -11.220 594 H ASP 76 H ASP 76 5.680 12.646 -6.223 595 HA ASP 76 HA ASP 76 6.748 15.234 -7.235 596 HB2 ASP 76 2HB ASP 76 7.898 13.274 -5.589 597 HB3 ASP 76 1HB ASP 76 8.678 13.068 -7.159 598 HA PRO 77 HA PRO 77 5.776 14.028 -11.441 599 HB2 PRO 77 2HB PRO 77 8.636 14.916 -11.761 600 HB3 PRO 77 1HB PRO 77 7.247 15.220 -12.825 601 HG2 PRO 77 2HG PRO 77 8.092 17.040 -11.053 602 HG3 PRO 77 1HG PRO 77 6.382 16.845 -11.465 603 HD2 PRO 77 2HD PRO 77 7.746 16.232 -8.940 604 HD3 PRO 77 1HD PRO 77 6.001 16.352 -9.263 605 HA PRO 78 HA PRO 78 6.851 9.831 -12.206 606 HB2 PRO 78 2HB PRO 78 8.245 10.914 -14.635 607 HB3 PRO 78 1HB PRO 78 7.158 9.518 -14.492 608 HG2 PRO 78 2HG PRO 78 6.369 11.968 -15.384 609 HG3 PRO 78 1HG PRO 78 5.289 10.797 -14.614 610 HD2 PRO 78 2HD PRO 78 6.133 13.380 -13.603 611 HD3 PRO 78 1HD PRO 78 4.983 12.238 -12.876 612 H HIS 79 H HIS 79 8.409 10.158 -10.315 613 HA HIS 79 HA HIS 79 10.982 9.116 -10.989 614 HB2 HIS 79 2HB HIS 79 11.046 11.696 -11.600 615 HB3 HIS 79 1HB HIS 79 11.280 11.873 -9.859 616 HD1 HIS 79 1HD HIS 79 13.016 9.468 -9.217 617 HD2 HIS 79 2HD HIS 79 13.645 11.850 -12.584 618 HE1 HIS 79 1HE HIS 79 15.428 9.115 -9.904 619 HE2 HIS 79 2HE HIS 79 15.824 10.563 -11.949 620 H ARG 80 H ARG 80 9.119 11.010 -8.561 621 HA ARG 80 HA ARG 80 10.010 8.994 -6.574 622 HB2 ARG 80 2HB ARG 80 11.688 10.781 -6.408 623 HB3 ARG 80 1HB ARG 80 10.404 11.970 -6.164 624 HG2 ARG 80 2HG ARG 80 9.752 10.951 -4.086 625 HG3 ARG 80 1HG ARG 80 10.806 9.564 -4.374 626 HD2 ARG 80 2HD ARG 80 11.963 11.000 -2.838 627 HD3 ARG 80 1HD ARG 80 12.753 11.186 -4.400 628 HE ARG 80 HE ARG 80 10.735 13.171 -4.222 629 HH11 ARG 80 1HH1 ARG 80 11.310 15.278 -3.639 630 HH12 ARG 80 2HH1 ARG 80 12.794 15.552 -2.791 631 HH21 ARG 80 1HH2 ARG 80 13.687 12.202 -2.731 632 HH22 ARG 80 2HH2 ARG 80 14.141 13.811 -2.277 633 H LEU 81 H LEU 81 8.493 8.578 -5.023 634 HA LEU 81 HA LEU 81 6.214 10.468 -4.759 635 HB2 LEU 81 2HB LEU 81 6.027 7.506 -5.289 636 HB3 LEU 81 1HB LEU 81 4.677 8.461 -4.677 637 HG LEU 81 HG LEU 81 5.819 9.840 -6.904 638 HD11 LEU 81 1HD1 LEU 81 5.295 8.101 -8.648 639 HD12 LEU 81 2HD1 LEU 81 5.252 6.913 -7.346 640 HD13 LEU 81 3HD1 LEU 81 6.743 7.784 -7.695 641 HD21 LEU 81 1HD2 LEU 81 3.578 9.748 -7.742 642 HD22 LEU 81 2HD2 LEU 81 3.441 9.847 -5.988 643 HD23 LEU 81 3HD2 LEU 81 3.221 8.301 -6.804 644 H ALA 82 H ALA 82 5.846 10.892 -2.670 645 HA ALA 82 HA ALA 82 6.871 8.969 -0.614 646 HB1 ALA 82 1HB ALA 82 6.284 11.944 -0.380 647 HB2 ALA 82 2HB ALA 82 7.890 11.222 -0.489 648 HB3 ALA 82 3HB ALA 82 6.879 10.917 0.924 649 H MET 83 H MET 83 5.352 8.379 1.108 650 HA MET 83 HA MET 83 2.647 9.516 0.828 651 HB2 MET 83 2HB MET 83 1.810 7.017 0.874 652 HB3 MET 83 1HB MET 83 2.242 7.789 -0.652 653 HG2 MET 83 2HG MET 83 4.448 6.792 -0.604 654 HG3 MET 83 1HG MET 83 4.172 6.156 1.017 655 HE1 MET 83 1HE MET 83 1.756 6.213 -2.240 656 HE2 MET 83 2HE MET 83 2.458 4.775 -2.975 657 HE3 MET 83 3HE MET 83 3.484 6.161 -2.613 658 H THR 84 H THR 84 1.265 9.177 2.594 659 HA THR 84 HA THR 84 2.584 8.044 5.034 660 HB THR 84 HB THR 84 0.617 10.322 4.688 661 HG1 THR 84 1HG THR 84 2.244 11.269 6.107 662 HG21 THR 84 1HG2 THR 84 -0.371 9.153 6.474 663 HG22 THR 84 2HG2 THR 84 0.696 10.302 7.281 664 HG23 THR 84 3HG2 THR 84 1.186 8.617 7.104 665 H TRP 85 H TRP 85 0.976 6.893 6.508 666 HA TRP 85 HA TRP 85 -1.223 5.724 4.847 667 HB2 TRP 85 2HB TRP 85 0.610 4.532 6.899 668 HB3 TRP 85 1HB TRP 85 -0.979 3.813 6.622 669 HD1 TRP 85 HD TRP 85 1.766 5.202 4.259 670 HE1 TRP 85 1HE TRP 85 2.131 3.484 2.371 671 HE3 TRP 85 3HE TRP 85 -1.565 1.603 5.684 672 HZ2 TRP 85 2HZ TRP 85 1.141 0.922 1.572 673 HZ3 TRP 85 3HZ TRP 85 -1.834 -0.463 4.344 674 HH2 TRP 85 HH TRP 85 -0.487 -0.808 2.290 675 H ARG 86 H ARG 86 -3.295 5.981 5.551 676 HA ARG 86 HA ARG 86 -3.671 6.937 8.367 677 HB2 ARG 86 2HB ARG 86 -4.313 8.593 6.632 678 HB3 ARG 86 1HB ARG 86 -5.446 7.425 5.957 679 HG2 ARG 86 2HG ARG 86 -6.627 7.347 8.143 680 HG3 ARG 86 1HG ARG 86 -5.526 8.581 8.758 681 HD2 ARG 86 2HD ARG 86 -7.331 8.921 6.346 682 HD3 ARG 86 1HD ARG 86 -7.672 9.553 7.956 683 HE ARG 86 HE ARG 86 -5.080 10.407 6.927 684 HH11 ARG 86 1HH1 ARG 86 -4.901 12.616 6.472 685 HH12 ARG 86 2HH1 ARG 86 -6.334 13.581 6.353 686 HH21 ARG 86 1HH2 ARG 86 -8.485 10.941 7.007 687 HH22 ARG 86 2HH2 ARG 86 -8.363 12.633 6.657 688 H ILE 87 H ILE 87 -4.184 5.044 9.464 689 HA ILE 87 HA ILE 87 -6.692 3.705 8.645 690 HB ILE 87 HB ILE 87 -4.653 2.488 7.644 691 HG12 ILE 87 2HG1 ILE 87 -6.248 0.772 9.549 692 HG13 ILE 87 1HG1 ILE 87 -7.022 1.544 8.164 693 HG21 ILE 87 1HG2 ILE 87 -4.355 1.469 10.472 694 HG22 ILE 87 2HG2 ILE 87 -3.372 2.799 9.857 695 HG23 ILE 87 3HG2 ILE 87 -3.280 1.210 9.097 696 HD11 ILE 87 1HD1 ILE 87 -5.535 0.431 6.625 697 HD12 ILE 87 2HD1 ILE 87 -6.194 -0.794 7.707 698 HD13 ILE 87 3HD1 ILE 87 -4.552 -0.195 7.945 699 H ASP 88 H ASP 88 -7.716 2.598 10.421 700 HA ASP 88 HA ASP 88 -6.599 3.378 13.079 701 HB2 ASP 88 2HB ASP 88 -9.441 2.815 12.237 702 HB3 ASP 88 1HB ASP 88 -8.945 3.128 13.897 703 H GLY 89 H GLY 89 -7.259 1.807 14.864 704 HA2 GLY 89 2HA GLY 89 -6.145 -0.746 14.374 705 HA3 GLY 89 1HA GLY 89 -7.136 -0.345 15.778 706 H HIS 90 H HIS 90 -9.534 0.320 14.241 707 HA HIS 90 HA HIS 90 -10.313 -2.469 13.530 708 HB2 HIS 90 2HB HIS 90 -11.533 -0.545 15.171 709 HB3 HIS 90 1HB HIS 90 -12.538 -0.623 13.727 710 HD1 HIS 90 1HD HIS 90 -12.825 -1.997 16.794 711 HD2 HIS 90 2HD HIS 90 -12.317 -3.835 13.083 712 HE1 HIS 90 1HE HIS 90 -13.680 -4.371 17.047 713 HE2 HIS 90 2HE HIS 90 -13.375 -5.499 14.795 714 H TRP 91 H TRP 91 -8.898 -0.868 11.604 715 HA TRP 91 HA TRP 91 -9.052 -0.244 9.349 716 HB2 TRP 91 2HB TRP 91 -11.431 -2.082 9.652 717 HB3 TRP 91 1HB TRP 91 -10.986 -1.367 8.106 718 HD1 TRP 91 HD TRP 91 -8.383 -1.855 7.302 719 HE1 TRP 91 1HE TRP 91 -7.016 -4.023 7.558 720 HE3 TRP 91 3HE TRP 91 -11.007 -4.127 11.036 721 HZ2 TRP 91 2HZ TRP 91 -7.042 -6.404 9.138 722 HZ3 TRP 91 3HZ TRP 91 -10.326 -6.344 11.896 723 HH2 TRP 91 HH TRP 91 -8.342 -7.489 10.951 724 H GLN 92 H GLN 92 -10.185 1.612 11.254 725 HA GLN 92 HA GLN 92 -12.472 2.718 9.674 726 HB2 GLN 92 2HB GLN 92 -11.651 3.307 12.535 727 HB3 GLN 92 1HB GLN 92 -13.036 4.009 11.699 728 HG2 GLN 92 2HG GLN 92 -13.995 1.749 11.392 729 HG3 GLN 92 1HG GLN 92 -12.612 1.061 12.238 730 HE21 GLN 92 1HE2 GLN 92 -15.237 0.695 13.271 731 HE22 GLN 92 2HE2 GLN 92 -15.383 1.574 14.716 732 H SER 93 H SER 93 -12.413 5.004 9.206 733 HA SER 93 HA SER 93 -9.630 6.084 9.122 734 HB2 SER 93 2HB SER 93 -10.755 5.713 6.931 735 HB3 SER 93 1HB SER 93 -12.026 6.833 7.420 736 HG SER 93 HG SER 93 -9.371 7.669 7.646 737 H VAL 94 H VAL 94 -9.218 8.132 9.913 738 HA VAL 94 HA VAL 94 -11.507 9.645 11.099 739 HB VAL 94 HB VAL 94 -9.583 10.285 12.845 740 HG11 VAL 94 1HG1 VAL 94 -11.510 9.411 13.795 741 HG12 VAL 94 2HG1 VAL 94 -10.381 8.093 14.114 742 HG13 VAL 94 3HG1 VAL 94 -11.501 7.985 12.755 743 HG21 VAL 94 1HG2 VAL 94 -8.882 7.408 12.507 744 HG22 VAL 94 2HG2 VAL 94 -7.900 8.737 13.120 745 HG23 VAL 94 3HG2 VAL 94 -8.147 8.551 11.384 746 HA PRO 95 HA PRO 95 -10.057 13.241 9.019 747 HB2 PRO 95 2HB PRO 95 -9.660 14.925 11.289 748 HB3 PRO 95 1HB PRO 95 -11.079 14.860 10.233 749 HG2 PRO 95 2HG PRO 95 -10.650 13.657 12.882 750 HG3 PRO 95 1HG PRO 95 -12.157 14.118 12.076 751 HD2 PRO 95 2HD PRO 95 -11.415 11.522 12.393 752 HD3 PRO 95 1HD PRO 95 -12.363 12.074 10.995 753 H ASP 96 H ASP 96 -8.259 12.410 11.970 754 HA ASP 96 HA ASP 96 -5.735 12.770 10.465 755 HB2 ASP 96 2HB ASP 96 -6.339 14.155 13.086 756 HB3 ASP 96 1HB ASP 96 -4.735 14.054 12.363 757 H ASP 97 H ASP 97 -4.059 11.418 11.274 758 HA ASP 97 HA ASP 97 -4.973 9.459 13.328 759 HB2 ASP 97 2HB ASP 97 -3.072 9.286 11.006 760 HB3 ASP 97 1HB ASP 97 -2.947 8.152 12.351 761 H ASP 98 H ASP 98 -4.118 9.765 15.309 762 HA ASP 98 HA ASP 98 -1.840 11.472 15.791 763 HB2 ASP 98 2HB ASP 98 -3.275 9.474 17.553 764 HB3 ASP 98 1HB ASP 98 -2.024 10.577 18.123 765 H ARG 99 H ARG 99 -2.335 8.064 15.269 766 HA ARG 99 HA ARG 99 0.504 7.472 15.899 767 HB2 ARG 99 2HB ARG 99 -0.452 5.057 15.402 768 HB3 ARG 99 1HB ARG 99 -0.787 5.840 16.948 769 HG2 ARG 99 2HG ARG 99 -2.960 6.557 16.204 770 HG3 ARG 99 1HG ARG 99 -2.619 6.062 14.546 771 HD2 ARG 99 2HD ARG 99 -3.981 4.337 15.497 772 HD3 ARG 99 1HD ARG 99 -2.339 3.697 15.433 773 HE ARG 99 HE ARG 99 -2.276 3.733 17.803 774 HH11 ARG 99 1HH1 ARG 99 -3.276 3.994 19.813 775 HH12 ARG 99 2HH1 ARG 99 -4.781 4.846 19.912 776 HH21 ARG 99 1HH2 ARG 99 -4.952 5.478 16.507 777 HH22 ARG 99 2HH2 ARG 99 -5.730 5.687 18.040 778 H ALA 100 H ALA 100 -0.206 8.963 13.492 779 HA ALA 100 HA ALA 100 -0.010 7.017 11.292 780 HB1 ALA 100 1HB ALA 100 0.413 9.687 10.377 781 HB2 ALA 100 2HB ALA 100 -0.887 9.724 11.568 782 HB3 ALA 100 3HB ALA 100 -1.015 8.675 10.157 783 H SER 101 H SER 101 1.791 6.797 9.933 784 HA SER 101 HA SER 101 4.323 8.053 10.921 785 HB2 SER 101 2HB SER 101 5.493 6.007 10.335 786 HB3 SER 101 1HB SER 101 4.143 5.594 11.389 787 HG SER 101 HG SER 101 3.185 4.608 9.777 788 H GLU 102 H GLU 102 6.022 8.162 9.140 789 HA GLU 102 HA GLU 102 4.676 8.849 6.563 790 HB2 GLU 102 2HB GLU 102 7.323 9.809 7.688 791 HB3 GLU 102 1HB GLU 102 6.614 10.324 6.157 792 HG2 GLU 102 2HG GLU 102 4.629 11.175 7.392 793 HG3 GLU 102 1HG GLU 102 5.410 10.731 8.910 794 H ILE 103 H ILE 103 5.415 7.941 4.656 795 HA ILE 103 HA ILE 103 7.646 5.960 4.906 796 HB ILE 103 HB ILE 103 5.223 5.772 3.092 797 HG12 ILE 103 2HG1 ILE 103 5.867 4.304 5.671 798 HG13 ILE 103 1HG1 ILE 103 4.615 5.528 5.472 799 HG21 ILE 103 1HG2 ILE 103 6.602 3.304 3.634 800 HG22 ILE 103 2HG2 ILE 103 7.761 4.501 3.055 801 HG23 ILE 103 3HG2 ILE 103 6.344 4.101 2.083 802 HD11 ILE 103 1HD1 ILE 103 3.733 4.001 3.565 803 HD12 ILE 103 2HD1 ILE 103 3.434 3.504 5.231 804 HD13 ILE 103 3HD1 ILE 103 4.734 2.753 4.305 805 H GLU 104 H GLU 104 9.188 6.015 3.283 806 HA GLU 104 HA GLU 104 8.859 8.190 1.249 807 HB2 GLU 104 2HB GLU 104 11.398 6.977 2.388 808 HB3 GLU 104 1HB GLU 104 11.328 8.270 1.192 809 HG2 GLU 104 2HG GLU 104 10.071 9.673 2.817 810 HG3 GLU 104 1HG GLU 104 10.239 8.392 4.018 811 H VAL 105 H VAL 105 8.696 7.506 -0.836 812 HA VAL 105 HA VAL 105 9.882 4.869 -1.540 813 HB VAL 105 HB VAL 105 7.199 5.830 -2.540 814 HG11 VAL 105 1HG1 VAL 105 8.521 4.186 -3.916 815 HG12 VAL 105 2HG1 VAL 105 6.974 3.557 -3.348 816 HG13 VAL 105 3HG1 VAL 105 8.469 3.078 -2.545 817 HG21 VAL 105 1HG2 VAL 105 6.609 3.720 -0.952 818 HG22 VAL 105 2HG2 VAL 105 6.560 5.389 -0.385 819 HG23 VAL 105 3HG2 VAL 105 7.977 4.389 -0.063 820 H ASP 106 H ASP 106 11.021 4.903 -3.445 821 HA ASP 106 HA ASP 106 10.753 7.363 -5.139 822 HB2 ASP 106 2HB ASP 106 13.194 5.628 -4.645 823 HB3 ASP 106 1HB ASP 106 13.135 7.007 -5.747 824 H PHE 107 H PHE 107 10.234 7.002 -7.264 825 HA PHE 107 HA PHE 107 10.348 4.185 -8.256 826 HB2 PHE 107 2HB PHE 107 8.427 6.439 -8.905 827 HB3 PHE 107 1HB PHE 107 8.479 4.907 -9.772 828 HD1 PHE 107 1HD PHE 107 8.001 6.395 -6.387 829 HD2 PHE 107 2HD PHE 107 7.399 2.981 -8.919 830 HE1 PHE 107 1HE PHE 107 6.542 5.372 -4.665 831 HE2 PHE 107 2HE PHE 107 5.943 1.956 -7.191 832 HZ PHE 107 HZ PHE 107 5.515 3.152 -5.064 833 H VAL 108 H VAL 108 11.380 3.858 -10.235 834 HA VAL 108 HA VAL 108 12.285 6.282 -11.715 835 HB VAL 108 HB VAL 108 14.084 3.902 -11.471 836 HG11 VAL 108 1HG1 VAL 108 14.696 5.620 -13.072 837 HG12 VAL 108 2HG1 VAL 108 15.801 5.721 -11.700 838 HG13 VAL 108 3HG1 VAL 108 14.483 6.882 -11.857 839 HG21 VAL 108 1HG2 VAL 108 13.550 4.412 -9.157 840 HG22 VAL 108 2HG2 VAL 108 13.774 6.137 -9.445 841 HG23 VAL 108 3HG2 VAL 108 15.158 5.046 -9.506 842 HA PRO 109 HA PRO 109 10.598 3.722 -15.012 843 HB2 PRO 109 2HB PRO 109 11.145 5.330 -17.122 844 HB3 PRO 109 1HB PRO 109 9.881 5.726 -15.940 845 HG2 PRO 109 2HG PRO 109 12.652 6.784 -16.166 846 HG3 PRO 109 1HG PRO 109 11.146 7.639 -15.796 847 HD2 PRO 109 2HD PRO 109 12.962 6.872 -13.874 848 HD3 PRO 109 1HD PRO 109 11.225 7.086 -13.559 849 H ASN 110 H ASN 110 11.651 1.955 -15.666 850 HA ASN 110 HA ASN 110 14.327 2.236 -16.934 851 HB2 ASN 110 2HB ASN 110 14.249 1.047 -14.676 852 HB3 ASN 110 1HB ASN 110 13.336 -0.221 -15.498 853 HD21 ASN 110 1HD2 ASN 110 15.658 -1.179 -14.557 854 HD22 ASN 110 2HD2 ASN 110 16.847 -1.304 -15.763 855 H GLY 111 H GLY 111 14.149 1.847 -19.094 856 HA2 GLY 111 2HA GLY 111 13.537 0.751 -21.081 857 HA3 GLY 111 1HA GLY 111 12.966 -0.586 -20.081 858 H SER 112 H SER 112 11.354 -0.266 -22.086 859 HA SER 112 HA SER 112 9.368 1.808 -21.850 860 HB2 SER 112 2HB SER 112 8.104 0.517 -23.465 861 HB3 SER 112 1HB SER 112 9.805 0.446 -23.920 862 HG SER 112 HG SER 112 9.086 -1.507 -22.154 863 H GLY 113 H GLY 113 9.811 -1.295 -20.289 864 HA2 GLY 113 2HA GLY 113 7.392 -0.724 -18.660 865 HA3 GLY 113 1HA GLY 113 7.503 -2.299 -19.452 866 H GLY 114 H GLY 114 10.009 -0.349 -17.791 867 HA2 GLY 114 2HA GLY 114 10.255 -2.541 -15.795 868 HA3 GLY 114 1HA GLY 114 11.694 -1.954 -16.625 869 H THR 115 H THR 115 10.270 -1.719 -13.738 870 HA THR 115 HA THR 115 11.224 1.089 -13.396 871 HB THR 115 HB THR 115 8.596 -0.061 -12.445 872 HG1 THR 115 1HG THR 115 9.452 1.718 -14.329 873 HG21 THR 115 1HG2 THR 115 8.371 2.180 -11.269 874 HG22 THR 115 2HG2 THR 115 10.108 2.381 -11.501 875 HG23 THR 115 3HG2 THR 115 9.496 1.046 -10.526 876 H ARG 116 H ARG 116 12.354 1.458 -11.534 877 HA ARG 116 HA ARG 116 12.733 -0.878 -9.708 878 HB2 ARG 116 2HB ARG 116 14.784 0.017 -10.830 879 HB3 ARG 116 1HB ARG 116 14.478 1.583 -10.073 880 HG2 ARG 116 2HG ARG 116 14.624 0.535 -7.842 881 HG3 ARG 116 1HG ARG 116 14.944 -1.026 -8.598 882 HD2 ARG 116 2HD ARG 116 17.072 -0.082 -7.965 883 HD3 ARG 116 1HD ARG 116 16.945 0.023 -9.721 884 HE ARG 116 HE ARG 116 15.932 2.447 -8.704 885 HH11 ARG 116 1HH1 ARG 116 17.257 4.271 -8.578 886 HH12 ARG 116 2HH1 ARG 116 18.978 4.073 -8.536 887 HH21 ARG 116 1HH2 ARG 116 18.851 0.612 -8.707 888 HH22 ARG 116 2HH2 ARG 116 19.880 2.001 -8.610 889 H VAL 117 H VAL 117 11.848 -0.663 -7.678 890 HA VAL 117 HA VAL 117 11.190 2.112 -6.771 891 HB VAL 117 HB VAL 117 9.565 -0.383 -6.274 892 HG11 VAL 117 1HG1 VAL 117 8.968 2.543 -5.760 893 HG12 VAL 117 2HG1 VAL 117 9.431 1.376 -4.520 894 HG13 VAL 117 3HG1 VAL 117 7.906 1.185 -5.389 895 HG21 VAL 117 1HG2 VAL 117 9.454 1.764 -8.360 896 HG22 VAL 117 2HG2 VAL 117 7.946 1.058 -7.777 897 HG23 VAL 117 3HG2 VAL 117 9.169 0.032 -8.524 898 H GLU 118 H GLU 118 11.650 2.626 -4.695 899 HA GLU 118 HA GLU 118 12.767 0.462 -2.951 900 HB2 GLU 118 2HB GLU 118 13.554 3.400 -3.009 901 HB3 GLU 118 1HB GLU 118 14.264 2.155 -1.981 902 HG2 GLU 118 2HG GLU 118 15.025 0.944 -4.009 903 HG3 GLU 118 1HG GLU 118 14.366 2.235 -5.011 904 H LEU 119 H LEU 119 11.031 0.088 -1.569 905 HA LEU 119 HA LEU 119 9.615 2.479 -0.486 906 HB2 LEU 119 2HB LEU 119 8.288 0.692 -1.681 907 HB3 LEU 119 1HB LEU 119 8.726 -0.405 -0.380 908 HG LEU 119 HG LEU 119 7.579 2.206 0.457 909 HD11 LEU 119 1HD1 LEU 119 6.184 1.550 -1.513 910 HD12 LEU 119 2HD1 LEU 119 5.288 1.505 0.005 911 HD13 LEU 119 3HD1 LEU 119 5.861 0.005 -0.727 912 HD21 LEU 119 1HD2 LEU 119 7.196 -0.693 1.276 913 HD22 LEU 119 2HD2 LEU 119 6.403 0.673 2.057 914 HD23 LEU 119 3HD2 LEU 119 8.156 0.519 2.124 915 H ALA 120 H ALA 120 9.979 3.021 1.599 916 HA ALA 120 HA ALA 120 10.903 0.888 3.473 917 HB1 ALA 120 1HB ALA 120 12.778 2.033 4.069 918 HB2 ALA 120 2HB ALA 120 11.967 3.595 3.974 919 HB3 ALA 120 3HB ALA 120 12.583 2.831 2.508 920 H HIS 121 H HIS 121 9.320 0.748 5.012 921 HA HIS 121 HA HIS 121 7.855 3.240 5.730 922 HB2 HIS 121 2HB HIS 121 6.049 1.914 6.419 923 HB3 HIS 121 1HB HIS 121 6.667 1.023 5.032 924 HD1 HIS 121 1HD HIS 121 6.798 0.993 8.829 925 HD2 HIS 121 2HD HIS 121 7.545 -1.558 5.618 926 HE1 HIS 121 1HE HIS 121 7.135 -1.323 9.817 927 HE2 HIS 121 2HE HIS 121 7.622 -2.873 7.869 928 H VAL 122 H VAL 122 8.223 4.171 7.685 929 HA VAL 122 HA VAL 122 9.728 2.568 9.711 930 HB VAL 122 HB VAL 122 10.984 4.658 10.236 931 HG11 VAL 122 1HG1 VAL 122 11.333 2.879 8.112 932 HG12 VAL 122 2HG1 VAL 122 12.550 3.981 8.755 933 HG13 VAL 122 3HG1 VAL 122 11.557 4.469 7.381 934 HG21 VAL 122 1HG2 VAL 122 10.327 5.933 7.678 935 HG22 VAL 122 2HG2 VAL 122 10.446 6.650 9.283 936 HG23 VAL 122 3HG2 VAL 122 8.947 5.872 8.772 937 H LYS 123 H LYS 123 9.492 3.266 11.901 938 HA LYS 123 HA LYS 123 8.208 3.862 13.756 939 HB2 LYS 123 2HB LYS 123 7.768 6.191 11.888 940 HB3 LYS 123 1HB LYS 123 7.063 6.150 13.505 941 HG2 LYS 123 2HG LYS 123 9.162 7.297 13.706 942 HG3 LYS 123 1HG LYS 123 9.401 5.689 14.389 943 HD2 LYS 123 2HD LYS 123 10.557 4.923 12.460 944 HD3 LYS 123 1HD LYS 123 10.023 6.301 11.498 945 HE2 LYS 123 2HE LYS 123 12.463 6.183 12.631 946 HE3 LYS 123 1HE LYS 123 11.605 7.704 12.387 947 HZ1 LYS 123 1HZ LYS 123 11.087 6.178 14.835 948 HZ2 LYS 123 2HZ LYS 123 11.047 7.857 14.578 949 HZ3 LYS 123 3HZ LYS 123 12.536 7.053 14.724 950 H LEU 124 H LEU 124 6.972 2.160 11.686 951 HA LEU 124 HA LEU 124 4.182 2.932 11.478 952 HB2 LEU 124 2HB LEU 124 5.593 1.257 10.036 953 HB3 LEU 124 1HB LEU 124 5.142 0.104 11.289 954 HG LEU 124 HG LEU 124 2.733 1.021 10.932 955 HD11 LEU 124 1HD1 LEU 124 4.041 2.716 9.209 956 HD12 LEU 124 2HD1 LEU 124 2.317 2.352 9.141 957 HD13 LEU 124 3HD1 LEU 124 3.444 1.470 8.111 958 HD21 LEU 124 1HD2 LEU 124 4.336 -0.891 9.328 959 HD22 LEU 124 2HD2 LEU 124 2.755 -0.463 8.676 960 HD23 LEU 124 3HD2 LEU 124 2.884 -1.170 10.286 961 H HIS 125 H HIS 125 6.156 0.903 13.560 962 HA HIS 125 HA HIS 125 4.312 -0.451 15.121 963 HB2 HIS 125 2HB HIS 125 6.722 -0.654 15.465 964 HB3 HIS 125 1HB HIS 125 6.783 0.995 16.077 965 HD1 HIS 125 1HD HIS 125 4.844 -2.199 16.893 966 HD2 HIS 125 2HD HIS 125 6.578 1.067 18.824 967 HE1 HIS 125 1HE HIS 125 4.516 -2.577 19.378 968 HE2 HIS 125 2HE HIS 125 5.567 -0.596 20.562 969 H ARG 126 H ARG 126 4.516 2.903 14.736 970 HA ARG 126 HA ARG 126 3.803 3.989 17.192 971 HB2 ARG 126 2HB ARG 126 2.765 4.649 14.439 972 HB3 ARG 126 1HB ARG 126 2.397 5.626 15.858 973 HG2 ARG 126 2HG ARG 126 5.252 4.926 15.265 974 HG3 ARG 126 1HG ARG 126 4.480 6.226 14.356 975 HD2 ARG 126 2HD ARG 126 3.823 7.271 16.547 976 HD3 ARG 126 1HD ARG 126 4.776 6.036 17.367 977 HE ARG 126 HE ARG 126 6.711 7.231 16.764 978 HH11 ARG 126 1HH1 ARG 126 7.819 8.878 15.680 979 HH12 ARG 126 2HH1 ARG 126 7.004 9.788 14.453 980 HH21 ARG 126 1HH2 ARG 126 4.015 8.062 14.784 981 HH22 ARG 126 2HH2 ARG 126 4.850 9.327 13.945 982 H HIS 127 H HIS 127 1.768 2.022 15.047 983 HA HIS 127 HA HIS 127 -0.631 2.597 16.607 984 HB2 HIS 127 2HB HIS 127 -1.373 0.339 15.407 985 HB3 HIS 127 1HB HIS 127 -1.335 1.870 14.546 986 HD1 HIS 127 1HD HIS 127 1.825 -0.017 15.375 987 HD2 HIS 127 2HD HIS 127 -0.652 0.674 12.094 988 HE1 HIS 127 1HE HIS 127 3.039 -0.924 13.341 989 HE2 HIS 127 2HE HIS 127 1.545 -0.504 11.345 990 H GLY 128 H GLY 128 2.052 0.485 16.988 991 HA2 GLY 128 2HA GLY 128 2.513 -0.651 19.054 992 HA3 GLY 128 1HA GLY 128 0.792 -0.596 19.434 993 H ASP 129 H ASP 129 1.528 -2.957 19.946 994 HA ASP 129 HA ASP 129 1.942 -4.789 17.764 995 HB2 ASP 129 2HB ASP 129 0.939 -5.231 20.590 996 HB3 ASP 129 1HB ASP 129 1.343 -6.531 19.468 997 H GLY 130 H GLY 130 0.433 -6.241 16.812 998 HA2 GLY 130 2HA GLY 130 -1.789 -7.114 16.434 999 HA3 GLY 130 1HA GLY 130 -2.448 -5.754 17.355 1000 H ALA 131 H ALA 131 -0.215 -4.293 15.580 1001 HA ALA 131 HA ALA 131 -2.043 -3.051 13.784 1002 HB1 ALA 131 1HB ALA 131 0.039 -2.149 12.721 1003 HB2 ALA 131 2HB ALA 131 0.979 -3.200 13.777 1004 HB3 ALA 131 3HB ALA 131 -0.015 -1.921 14.469 1005 H TRP 132 H TRP 132 0.347 -5.674 13.309 1006 HA TRP 132 HA TRP 132 0.079 -5.870 10.508 1007 HB2 TRP 132 2HB TRP 132 1.722 -7.189 11.908 1008 HB3 TRP 132 1HB TRP 132 0.387 -8.265 12.335 1009 HD1 TRP 132 HD TRP 132 -0.782 -9.611 10.316 1010 HE1 TRP 132 1HE TRP 132 0.145 -10.369 8.036 1011 HE3 TRP 132 3HE TRP 132 3.385 -6.642 10.014 1012 HZ2 TRP 132 2HZ TRP 132 2.345 -9.801 6.316 1013 HZ3 TRP 132 3HZ TRP 132 4.870 -6.784 8.037 1014 HH2 TRP 132 HH TRP 132 4.360 -8.357 6.191 1015 H ASN 133 H ASN 133 -2.042 -6.958 13.094 1016 HA ASN 133 HA ASN 133 -3.723 -8.712 11.632 1017 HB2 ASN 133 2HB ASN 133 -3.833 -8.049 14.135 1018 HB3 ASN 133 1HB ASN 133 -4.783 -6.667 13.591 1019 HD21 ASN 133 1HD2 ASN 133 -6.260 -8.244 15.167 1020 HD22 ASN 133 2HD2 ASN 133 -7.295 -9.264 14.289 1021 H ILE 134 H ILE 134 -3.695 -5.186 11.907 1022 HA ILE 134 HA ILE 134 -5.966 -4.629 10.284 1023 HB ILE 134 HB ILE 134 -3.403 -3.047 10.555 1024 HG12 ILE 134 2HG1 ILE 134 -5.979 -2.863 12.146 1025 HG13 ILE 134 1HG1 ILE 134 -4.494 -3.617 12.734 1026 HG21 ILE 134 1HG2 ILE 134 -6.213 -2.245 9.780 1027 HG22 ILE 134 2HG2 ILE 134 -4.825 -2.327 8.696 1028 HG23 ILE 134 3HG2 ILE 134 -4.861 -1.136 9.997 1029 HD11 ILE 134 1HD1 ILE 134 -3.479 -1.249 11.957 1030 HD12 ILE 134 2HD1 ILE 134 -4.143 -1.505 13.571 1031 HD13 ILE 134 3HD1 ILE 134 -5.126 -0.734 12.326 1032 H HIS 135 H HIS 135 -2.538 -5.067 9.573 1033 HA HIS 135 HA HIS 135 -2.688 -4.703 6.736 1034 HB2 HIS 135 2HB HIS 135 -0.550 -4.590 7.900 1035 HB3 HIS 135 1HB HIS 135 -0.734 -6.253 8.456 1036 HD1 HIS 135 1HD HIS 135 -2.009 -6.133 5.136 1037 HD2 HIS 135 2HD HIS 135 1.807 -6.375 6.788 1038 HE1 HIS 135 1HE HIS 135 -0.507 -6.970 3.287 1039 HE2 HIS 135 2HE HIS 135 1.841 -7.103 4.272 1040 H LYS 136 H LYS 136 -3.155 -7.498 8.847 1041 HA LYS 136 HA LYS 136 -3.058 -9.566 6.942 1042 HB2 LYS 136 2HB LYS 136 -3.399 -9.891 9.402 1043 HB3 LYS 136 1HB LYS 136 -5.054 -9.337 9.202 1044 HG2 LYS 136 2HG LYS 136 -5.460 -11.163 7.596 1045 HG3 LYS 136 1HG LYS 136 -3.818 -11.737 7.854 1046 HD2 LYS 136 2HD LYS 136 -4.346 -11.987 10.291 1047 HD3 LYS 136 1HD LYS 136 -6.020 -11.566 9.927 1048 HE2 LYS 136 2HE LYS 136 -5.786 -13.496 8.135 1049 HE3 LYS 136 1HE LYS 136 -4.485 -14.036 9.197 1050 HZ1 LYS 136 1HZ LYS 136 -5.955 -14.241 10.994 1051 HZ2 LYS 136 2HZ LYS 136 -6.778 -14.931 9.677 1052 HZ3 LYS 136 3HZ LYS 136 -7.184 -13.371 10.213 1053 H ALA 137 H ALA 137 -5.667 -7.265 7.648 1054 HA ALA 137 HA ALA 137 -7.580 -8.489 5.867 1055 HB1 ALA 137 1HB ALA 137 -8.442 -6.023 5.744 1056 HB2 ALA 137 2HB ALA 137 -7.224 -5.721 6.979 1057 HB3 ALA 137 3HB ALA 137 -8.525 -6.869 7.289 1058 H LEU 138 H LEU 138 -5.090 -5.985 5.469 1059 HA LEU 138 HA LEU 138 -5.605 -5.526 2.673 1060 HB2 LEU 138 2HB LEU 138 -3.008 -5.187 4.203 1061 HB3 LEU 138 1HB LEU 138 -3.399 -4.461 2.649 1062 HG LEU 138 HG LEU 138 -4.811 -3.936 5.279 1063 HD11 LEU 138 1HD1 LEU 138 -3.884 -1.701 5.071 1064 HD12 LEU 138 2HD1 LEU 138 -3.197 -2.091 3.495 1065 HD13 LEU 138 3HD1 LEU 138 -2.564 -2.863 4.948 1066 HD21 LEU 138 1HD2 LEU 138 -5.437 -3.242 2.426 1067 HD22 LEU 138 2HD2 LEU 138 -5.830 -2.077 3.690 1068 HD23 LEU 138 3HD2 LEU 138 -6.535 -3.693 3.730 1069 H ASP 139 H ASP 139 -3.998 -8.005 4.475 1070 HA ASP 139 HA ASP 139 -3.329 -10.134 3.718 1071 HB2 ASP 139 2HB ASP 139 -4.811 -9.274 1.601 1072 HB3 ASP 139 1HB ASP 139 -3.222 -9.444 0.865 1073 H GLY 140 H GLY 140 -1.236 -10.249 4.341 1074 HA2 GLY 140 2HA GLY 140 0.812 -9.040 2.530 1075 HA3 GLY 140 1HA GLY 140 1.014 -9.074 4.282 1076 HA PRO 141 HA PRO 141 1.155 -13.702 2.498 1077 HB2 PRO 141 2HB PRO 141 2.464 -12.934 -0.063 1078 HB3 PRO 141 1HB PRO 141 1.269 -14.205 0.257 1079 HG2 PRO 141 2HG PRO 141 0.604 -11.948 -0.983 1080 HG3 PRO 141 1HG PRO 141 -0.502 -12.757 0.139 1081 HD2 PRO 141 2HD PRO 141 1.109 -10.272 0.549 1082 HD3 PRO 141 1HD PRO 141 -0.480 -10.713 1.208 1083 H SER 142 H SER 142 3.034 -14.962 2.830 1084 HA SER 142 HA SER 142 5.457 -13.427 3.500 1085 HB2 SER 142 2HB SER 142 4.259 -15.864 4.394 1086 HB3 SER 142 1HB SER 142 5.865 -16.240 3.778 1087 HG SER 142 HG SER 142 5.987 -13.973 5.169 1088 HA PRO 143 HA PRO 143 7.151 -16.151 -0.020 1089 HB2 PRO 143 2HB PRO 143 5.499 -17.818 -1.382 1090 HB3 PRO 143 1HB PRO 143 6.250 -18.278 0.160 1091 HG2 PRO 143 2HG PRO 143 3.465 -17.481 -0.421 1092 HG3 PRO 143 1HG PRO 143 4.097 -18.577 0.817 1093 HD2 PRO 143 2HD PRO 143 3.305 -15.894 1.210 1094 HD3 PRO 143 1HD PRO 143 4.206 -16.902 2.359 1095 H GLY 144 H GLY 144 3.782 -15.864 -1.200 1096 HA2 GLY 144 2HA GLY 144 4.709 -14.431 -3.590 1097 HA3 GLY 144 1HA GLY 144 3.037 -14.876 -3.229 1098 H GLU 145 H GLU 145 5.535 -12.899 -1.634 1099 HA GLU 145 HA GLU 145 3.865 -11.137 -0.272 1100 HB2 GLU 145 2HB GLU 145 6.459 -10.404 -1.628 1101 HB3 GLU 145 1HB GLU 145 5.708 -9.549 -0.289 1102 HG2 GLU 145 2HG GLU 145 5.882 -11.646 1.072 1103 HG3 GLU 145 1HG GLU 145 6.806 -12.366 -0.250 1104 H THR 146 H THR 146 4.159 -8.571 -1.010 1105 HA THR 146 HA THR 146 2.142 -8.124 -2.943 1106 HB THR 146 HB THR 146 4.342 -6.155 -2.409 1107 HG1 THR 146 1HG THR 146 3.822 -6.079 -0.401 1108 HG21 THR 146 1HG2 THR 146 2.540 -5.583 -4.009 1109 HG22 THR 146 2HG2 THR 146 2.528 -4.537 -2.590 1110 HG23 THR 146 3HG2 THR 146 1.353 -5.844 -2.730 1111 H LEU 147 H LEU 147 5.661 -7.985 -3.239 1112 HA LEU 147 HA LEU 147 5.869 -7.086 -5.888 1113 HB2 LEU 147 2HB LEU 147 7.666 -9.138 -4.590 1114 HB3 LEU 147 1HB LEU 147 8.095 -7.971 -5.844 1115 HG LEU 147 HG LEU 147 6.996 -6.412 -3.813 1116 HD11 LEU 147 1HD1 LEU 147 8.293 -7.081 -1.818 1117 HD12 LEU 147 2HD1 LEU 147 8.827 -8.532 -2.666 1118 HD13 LEU 147 3HD1 LEU 147 7.121 -8.313 -2.277 1119 HD21 LEU 147 1HD2 LEU 147 9.883 -7.069 -4.450 1120 HD22 LEU 147 2HD2 LEU 147 9.360 -5.676 -3.503 1121 HD23 LEU 147 3HD2 LEU 147 8.910 -5.808 -5.204 1122 H ALA 148 H ALA 148 5.307 -10.372 -4.688 1123 HA ALA 148 HA ALA 148 5.640 -11.606 -7.281 1124 HB1 ALA 148 1HB ALA 148 5.575 -13.475 -6.047 1125 HB2 ALA 148 2HB ALA 148 3.914 -13.129 -5.557 1126 HB3 ALA 148 3HB ALA 148 5.264 -12.476 -4.626 1127 H ARG 149 H ARG 149 2.718 -10.844 -5.365 1128 HA ARG 149 HA ARG 149 0.965 -11.731 -7.470 1129 HB2 ARG 149 2HB ARG 149 -0.774 -10.482 -6.038 1130 HB3 ARG 149 1HB ARG 149 0.045 -11.869 -5.324 1131 HG2 ARG 149 2HG ARG 149 1.058 -10.596 -3.753 1132 HG3 ARG 149 1HG ARG 149 1.503 -9.359 -4.927 1133 HD2 ARG 149 2HD ARG 149 -0.542 -8.228 -4.703 1134 HD3 ARG 149 1HD ARG 149 -1.358 -9.638 -4.027 1135 HE ARG 149 HE ARG 149 0.712 -8.899 -2.232 1136 HH11 ARG 149 1HH1 ARG 149 0.194 -7.687 -0.397 1137 HH12 ARG 149 2HH1 ARG 149 -1.274 -6.767 -0.369 1138 HH21 ARG 149 1HH2 ARG 149 -2.244 -7.720 -3.559 1139 HH22 ARG 149 2HH2 ARG 149 -2.654 -6.786 -2.159 1140 H PHE 150 H PHE 150 1.860 -8.427 -6.370 1141 HA PHE 150 HA PHE 150 0.149 -7.191 -8.342 1142 HB2 PHE 150 2HB PHE 150 0.580 -5.323 -7.203 1143 HB3 PHE 150 1HB PHE 150 1.519 -6.316 -6.090 1144 HD1 PHE 150 1HD PHE 150 1.595 -3.478 -8.101 1145 HD2 PHE 150 2HD PHE 150 3.977 -6.883 -7.063 1146 HE1 PHE 150 1HE PHE 150 3.638 -2.251 -8.780 1147 HE2 PHE 150 2HE PHE 150 6.026 -5.668 -7.723 1148 HZ PHE 150 HZ PHE 150 5.845 -3.345 -8.600 1149 H ALA 151 H ALA 151 3.579 -8.082 -8.335 1150 HA ALA 151 HA ALA 151 4.214 -6.594 -10.725 1151 HB1 ALA 151 1HB ALA 151 5.599 -9.089 -9.730 1152 HB2 ALA 151 2HB ALA 151 5.888 -7.490 -9.049 1153 HB3 ALA 151 3HB ALA 151 6.286 -7.815 -10.734 1154 H ASN 152 H ASN 152 3.331 -9.969 -10.138 1155 HA ASN 152 HA ASN 152 3.619 -10.898 -12.798 1156 HB2 ASN 152 2HB ASN 152 2.669 -12.829 -12.051 1157 HB3 ASN 152 1HB ASN 152 2.875 -12.074 -10.471 1158 HD21 ASN 152 1HD2 ASN 152 0.988 -11.252 -9.393 1159 HD22 ASN 152 2HD2 ASN 152 -0.583 -11.543 -9.972 1160 H VAL 153 H VAL 153 0.794 -9.408 -11.222 1161 HA VAL 153 HA VAL 153 -0.885 -9.621 -13.554 1162 HB VAL 153 HB VAL 153 -2.244 -7.842 -12.393 1163 HG11 VAL 153 1HG1 VAL 153 -3.054 -9.336 -10.745 1164 HG12 VAL 153 2HG1 VAL 153 -1.455 -10.026 -10.468 1165 HG13 VAL 153 3HG1 VAL 153 -2.327 -10.391 -11.957 1166 HG21 VAL 153 1HG2 VAL 153 0.004 -8.095 -10.390 1167 HG22 VAL 153 2HG2 VAL 153 -1.531 -7.297 -10.059 1168 HG23 VAL 153 3HG2 VAL 153 -0.442 -6.647 -11.284 1169 H ILE 154 H ILE 154 1.268 -7.075 -12.322 1170 HA ILE 154 HA ILE 154 0.587 -5.132 -14.303 1171 HB ILE 154 HB ILE 154 3.032 -5.539 -12.604 1172 HG12 ILE 154 2HG1 ILE 154 0.847 -3.438 -12.576 1173 HG13 ILE 154 1HG1 ILE 154 0.898 -4.839 -11.512 1174 HG21 ILE 154 1HG2 ILE 154 4.058 -4.323 -14.243 1175 HG22 ILE 154 2HG2 ILE 154 3.240 -2.977 -13.456 1176 HG23 ILE 154 3HG2 ILE 154 2.536 -3.720 -14.890 1177 HD11 ILE 154 1HD1 ILE 154 1.843 -2.963 -10.314 1178 HD12 ILE 154 2HD1 ILE 154 2.924 -2.595 -11.660 1179 HD13 ILE 154 3HD1 ILE 154 3.153 -4.073 -10.725 1180 HBC 969 201 HBC PDM 155 4.942 -8.927 3.209 1181 HBD 969 201 HBD PDM 155 6.036 -9.932 2.229 1182 HBE 969 201 HBE PDM 155 4.617 -9.165 1.475 1183 HBA 969 201 HBA PDM 155 6.520 -7.314 2.828 1184 HBB 969 201 HBB PDM 155 7.140 -8.117 1.367 1185 HA0 969 201 0HA PDM 155 3.445 -7.688 1.176 1186 HAY 969 201 HAY PDM 155 3.495 -5.907 1.166 1187 HAZ 969 201 HAZ PDM 155 3.982 -6.806 2.625 1188 HBF 969 201 HBF PDM 155 6.250 -7.896 -0.469 1189 HAQ 969 201 HAQ PDM 155 5.087 -4.142 -5.131 1190 HAL 969 201 HAL PDM 155 7.051 -4.052 -7.083 1191 HAM 969 201 HAM PDM 155 9.097 -2.654 -7.182 1192 HAN 969 201 HAN PDM 155 10.239 -1.986 -5.090 1193 HAE 969 201 HAE PDM 155 10.589 -2.137 -0.303 1194 HAS 969 201 HAS PDM 155 9.302 -1.969 2.672 1195 HAT 969 201 HAT PDM 155 10.844 -2.371 1.879 1196 HAU 969 201 HAU PDM 155 9.963 -3.619 2.791 1197 HAV 969 201 HAV PDM 155 5.814 -5.265 3.213 Start of MODEL 4 1 H1 MET 1 1HT MET 1 6.202 -12.508 11.006 2 H2 MET 1 2HT MET 1 6.503 -11.441 9.718 3 H3 MET 1 3HT MET 1 5.676 -12.899 9.443 4 HA MET 1 HA MET 1 4.508 -10.495 9.853 5 HB2 MET 1 2HB MET 1 3.277 -13.169 10.563 6 HB3 MET 1 1HB MET 1 2.462 -11.750 9.905 7 HG2 MET 1 2HG MET 1 4.140 -12.019 7.918 8 HG3 MET 1 1HG MET 1 4.323 -13.666 8.522 9 HE1 MET 1 1HE MET 1 3.884 -13.930 6.198 10 HE2 MET 1 2HE MET 1 2.320 -13.958 5.388 11 HE3 MET 1 3HE MET 1 2.755 -15.260 6.493 12 HA PRO 2 HA PRO 2 5.263 -11.188 14.512 13 HB2 PRO 2 2HB PRO 2 6.663 -8.820 14.867 14 HB3 PRO 2 1HB PRO 2 7.401 -10.419 14.658 15 HG2 PRO 2 2HG PRO 2 7.054 -8.221 12.701 16 HG3 PRO 2 1HG PRO 2 8.359 -9.407 12.853 17 HD2 PRO 2 2HD PRO 2 6.405 -9.574 10.942 18 HD3 PRO 2 1HD PRO 2 7.246 -10.996 11.604 19 H GLU 3 H GLU 3 4.178 -10.009 16.163 20 HA GLU 3 HA GLU 3 1.893 -8.503 15.352 21 HB2 GLU 3 2HB GLU 3 3.260 -8.705 18.053 22 HB3 GLU 3 1HB GLU 3 1.666 -8.005 17.787 23 HG2 GLU 3 2HG GLU 3 0.894 -10.163 16.833 24 HG3 GLU 3 1HG GLU 3 2.477 -10.861 17.177 25 H GLU 4 H GLU 4 5.157 -7.580 16.214 26 HA GLU 4 HA GLU 4 4.422 -4.708 16.250 27 HB2 GLU 4 2HB GLU 4 5.987 -5.641 17.969 28 HB3 GLU 4 1HB GLU 4 7.121 -5.998 16.668 29 HG2 GLU 4 2HG GLU 4 7.115 -3.587 16.037 30 HG3 GLU 4 1HG GLU 4 6.070 -3.259 17.421 31 H ILE 5 H ILE 5 5.150 -3.260 14.669 32 HA ILE 5 HA ILE 5 6.439 -4.509 12.277 33 HB ILE 5 HB ILE 5 5.022 -2.010 11.782 34 HG12 ILE 5 2HG1 ILE 5 3.580 -2.914 13.587 35 HG13 ILE 5 1HG1 ILE 5 2.771 -2.880 12.028 36 HG21 ILE 5 1HG2 ILE 5 5.807 -3.466 10.016 37 HG22 ILE 5 2HG2 ILE 5 4.043 -3.398 9.981 38 HG23 ILE 5 3HG2 ILE 5 4.857 -4.804 10.665 39 HD11 ILE 5 1HD1 ILE 5 2.973 -5.086 13.674 40 HD12 ILE 5 2HD1 ILE 5 4.246 -5.355 12.487 41 HD13 ILE 5 3HD1 ILE 5 2.583 -5.118 11.957 42 HA PRO 6 HA PRO 6 9.313 -1.224 13.682 43 HB2 PRO 6 2HB PRO 6 11.622 -2.580 13.123 44 HB3 PRO 6 1HB PRO 6 10.727 -2.770 14.642 45 HG2 PRO 6 2HG PRO 6 10.899 -4.574 12.316 46 HG3 PRO 6 1HG PRO 6 10.628 -4.948 14.024 47 HD2 PRO 6 2HD PRO 6 8.655 -4.864 12.015 48 HD3 PRO 6 1HD PRO 6 8.360 -4.902 13.767 49 H ASP 7 H ASP 7 11.050 -0.064 12.412 50 HA ASP 7 HA ASP 7 10.195 0.417 9.730 51 HB2 ASP 7 2HB ASP 7 12.170 1.875 9.595 52 HB3 ASP 7 1HB ASP 7 11.335 2.110 11.129 53 H VAL 8 H VAL 8 10.697 -0.645 7.901 54 HA VAL 8 HA VAL 8 13.288 -2.087 7.710 55 HB VAL 8 HB VAL 8 11.558 -3.772 8.314 56 HG11 VAL 8 1HG1 VAL 8 10.250 -2.843 5.737 57 HG12 VAL 8 2HG1 VAL 8 9.593 -2.669 7.363 58 HG13 VAL 8 3HG1 VAL 8 9.776 -4.271 6.656 59 HG21 VAL 8 1HG2 VAL 8 12.144 -5.340 6.610 60 HG22 VAL 8 2HG2 VAL 8 13.501 -4.216 6.709 61 HG23 VAL 8 3HG2 VAL 8 12.325 -4.068 5.402 62 H ARG 9 H ARG 9 14.192 -1.935 5.630 63 HA ARG 9 HA ARG 9 12.527 -0.486 3.602 64 HB2 ARG 9 2HB ARG 9 14.279 0.963 4.592 65 HB3 ARG 9 1HB ARG 9 15.505 -0.202 4.088 66 HG2 ARG 9 2HG ARG 9 14.788 0.102 1.725 67 HG3 ARG 9 1HG ARG 9 13.630 1.322 2.254 68 HD2 ARG 9 2HD ARG 9 16.633 1.460 2.648 69 HD3 ARG 9 1HD ARG 9 15.713 2.375 1.455 70 HE ARG 9 HE ARG 9 14.475 3.113 3.763 71 HH11 ARG 9 1HH1 ARG 9 15.180 4.748 5.157 72 HH12 ARG 9 2HH1 ARG 9 16.864 5.148 5.220 73 HH21 ARG 9 1HH2 ARG 9 17.784 2.788 2.852 74 HH22 ARG 9 2HH2 ARG 9 18.338 4.039 3.915 75 H LYS 10 H LYS 10 12.307 -1.555 1.717 76 HA LYS 10 HA LYS 10 14.462 -3.414 0.857 77 HB2 LYS 10 2HB LYS 10 11.513 -4.120 0.950 78 HB3 LYS 10 1HB LYS 10 12.774 -5.115 0.223 79 HG2 LYS 10 2HG LYS 10 13.928 -5.194 2.437 80 HG3 LYS 10 1HG LYS 10 12.569 -4.316 3.139 81 HD2 LYS 10 2HD LYS 10 11.045 -6.137 2.362 82 HD3 LYS 10 1HD LYS 10 12.457 -7.033 1.800 83 HE2 LYS 10 2HE LYS 10 13.181 -6.393 4.375 84 HE3 LYS 10 1HE LYS 10 11.445 -6.660 4.538 85 HZ1 LYS 10 1HZ LYS 10 11.935 -8.744 3.120 86 HZ2 LYS 10 2HZ LYS 10 12.293 -8.768 4.780 87 HZ3 LYS 10 3HZ LYS 10 13.534 -8.530 3.643 88 H SER 11 H SER 11 14.274 -3.918 -1.499 89 HA SER 11 HA SER 11 12.457 -2.233 -3.064 90 HB2 SER 11 2HB SER 11 14.179 -0.974 -4.184 91 HB3 SER 11 1HB SER 11 14.340 -0.729 -2.444 92 HG SER 11 HG SER 11 16.174 -1.799 -2.465 93 H VAL 12 H VAL 12 12.424 -2.798 -5.292 94 HA VAL 12 HA VAL 12 14.187 -4.936 -6.255 95 HB VAL 12 HB VAL 12 11.270 -5.396 -5.672 96 HG11 VAL 12 1HG1 VAL 12 13.081 -6.738 -7.674 97 HG12 VAL 12 2HG1 VAL 12 11.438 -6.142 -7.911 98 HG13 VAL 12 3HG1 VAL 12 11.719 -7.596 -6.953 99 HG21 VAL 12 1HG2 VAL 12 12.304 -7.573 -4.792 100 HG22 VAL 12 2HG2 VAL 12 12.677 -6.112 -3.880 101 HG23 VAL 12 3HG2 VAL 12 13.868 -6.786 -4.993 102 H VAL 13 H VAL 13 13.894 -5.313 -8.558 103 HA VAL 13 HA VAL 13 12.635 -2.972 -9.883 104 HB VAL 13 HB VAL 13 14.598 -4.984 -11.017 105 HG11 VAL 13 1HG1 VAL 13 14.551 -2.379 -12.258 106 HG12 VAL 13 2HG1 VAL 13 12.923 -3.055 -12.241 107 HG13 VAL 13 3HG1 VAL 13 14.244 -3.954 -12.990 108 HG21 VAL 13 1HG2 VAL 13 15.518 -2.241 -10.592 109 HG22 VAL 13 2HG2 VAL 13 16.285 -3.761 -10.132 110 HG23 VAL 13 3HG2 VAL 13 15.067 -3.035 -9.084 111 H VAL 14 H VAL 14 10.938 -3.257 -11.258 112 HA VAL 14 HA VAL 14 10.130 -6.061 -11.898 113 HB VAL 14 HB VAL 14 8.650 -5.273 -10.150 114 HG11 VAL 14 1HG1 VAL 14 7.257 -3.136 -10.793 115 HG12 VAL 14 2HG1 VAL 14 8.643 -2.774 -11.822 116 HG13 VAL 14 3HG1 VAL 14 8.860 -2.947 -10.080 117 HG21 VAL 14 1HG2 VAL 14 6.501 -5.348 -11.305 118 HG22 VAL 14 2HG2 VAL 14 7.610 -6.460 -12.101 119 HG23 VAL 14 3HG2 VAL 14 7.257 -4.892 -12.826 120 H ALA 15 H ALA 15 8.839 -6.240 -13.883 121 HA ALA 15 HA ALA 15 9.787 -4.432 -15.956 122 HB1 ALA 15 1HB ALA 15 8.724 -5.887 -17.485 123 HB2 ALA 15 2HB ALA 15 7.524 -6.397 -16.296 124 HB3 ALA 15 3HB ALA 15 9.190 -6.961 -16.166 125 H ALA 16 H ALA 16 8.926 -2.347 -15.475 126 HA ALA 16 HA ALA 16 6.190 -1.877 -16.284 127 HB1 ALA 16 1HB ALA 16 6.086 -2.877 -13.872 128 HB2 ALA 16 2HB ALA 16 5.146 -1.428 -14.232 129 HB3 ALA 16 3HB ALA 16 6.679 -1.293 -13.372 130 H SER 17 H SER 17 5.650 0.454 -16.060 131 HA SER 17 HA SER 17 8.118 2.118 -16.013 132 HB2 SER 17 2HB SER 17 5.377 2.732 -17.166 133 HB3 SER 17 1HB SER 17 6.797 3.769 -17.281 134 HG SER 17 HG SER 17 6.602 1.109 -18.268 135 H VAL 18 H VAL 18 8.116 3.994 -14.628 136 HA VAL 18 HA VAL 18 6.768 3.728 -12.170 137 HB VAL 18 HB VAL 18 7.547 5.940 -11.659 138 HG11 VAL 18 1HG1 VAL 18 9.641 5.203 -13.626 139 HG12 VAL 18 2HG1 VAL 18 9.166 3.937 -12.500 140 HG13 VAL 18 3HG1 VAL 18 9.780 5.474 -11.893 141 HG21 VAL 18 1HG2 VAL 18 7.738 6.279 -14.666 142 HG22 VAL 18 2HG2 VAL 18 8.417 7.418 -13.502 143 HG23 VAL 18 3HG2 VAL 18 6.674 7.159 -13.567 144 H GLU 19 H GLU 19 5.845 5.574 -15.060 145 HA GLU 19 HA GLU 19 3.529 6.809 -13.933 146 HB2 GLU 19 2HB GLU 19 4.548 7.410 -16.149 147 HB3 GLU 19 1HB GLU 19 3.903 5.902 -16.794 148 HG2 GLU 19 2HG GLU 19 1.614 6.635 -16.135 149 HG3 GLU 19 1HG GLU 19 2.291 8.176 -15.604 150 H HIS 20 H HIS 20 4.058 3.685 -15.514 151 HA HIS 20 HA HIS 20 1.302 2.851 -15.462 152 HB2 HIS 20 2HB HIS 20 2.766 1.644 -16.921 153 HB3 HIS 20 1HB HIS 20 3.894 1.298 -15.605 154 HD1 HIS 20 1HD HIS 20 0.825 0.054 -17.226 155 HD2 HIS 20 2HD HIS 20 2.779 -0.554 -13.582 156 HE1 HIS 20 1HE HIS 20 -0.221 -1.997 -16.174 157 HE2 HIS 20 2HE HIS 20 0.965 -2.381 -13.976 158 H CYS 21 H CYS 21 4.029 2.410 -13.254 159 HA CYS 21 HA CYS 21 2.945 0.592 -11.442 160 HB2 CYS 21 2HB CYS 21 4.632 3.051 -10.904 161 HB3 CYS 21 1HB CYS 21 4.363 1.762 -9.737 162 HG CYS 21 HG CYS 21 5.369 0.315 -12.034 163 H PHE 22 H PHE 22 2.471 4.113 -11.564 164 HA PHE 22 HA PHE 22 0.605 3.969 -9.319 165 HB2 PHE 22 2HB PHE 22 1.982 6.085 -10.764 166 HB3 PHE 22 1HB PHE 22 0.293 6.486 -10.422 167 HD1 PHE 22 1HD PHE 22 3.370 5.086 -8.842 168 HD2 PHE 22 2HD PHE 22 -0.370 7.110 -8.247 169 HE1 PHE 22 1HE PHE 22 3.913 5.379 -6.446 170 HE2 PHE 22 2HE PHE 22 0.173 7.410 -5.845 171 HZ PHE 22 HZ PHE 22 2.318 6.534 -4.950 172 H GLU 23 H GLU 23 0.416 3.884 -12.791 173 HA GLU 23 HA GLU 23 -2.297 4.704 -13.103 174 HB2 GLU 23 2HB GLU 23 -0.786 4.283 -15.022 175 HB3 GLU 23 1HB GLU 23 -0.791 2.567 -14.626 176 HG2 GLU 23 2HG GLU 23 -3.243 2.505 -14.939 177 HG3 GLU 23 1HG GLU 23 -3.215 4.210 -15.395 178 H VAL 24 H VAL 24 -0.819 1.610 -12.256 179 HA VAL 24 HA VAL 24 -3.276 0.124 -12.166 180 HB VAL 24 HB VAL 24 -0.580 -0.301 -10.848 181 HG11 VAL 24 1HG1 VAL 24 -2.202 -1.465 -9.516 182 HG12 VAL 24 2HG1 VAL 24 -1.443 -2.663 -10.563 183 HG13 VAL 24 3HG1 VAL 24 -3.049 -2.046 -10.949 184 HG21 VAL 24 1HG2 VAL 24 -0.575 -2.176 -12.617 185 HG22 VAL 24 2HG2 VAL 24 -0.374 -0.527 -13.207 186 HG23 VAL 24 3HG2 VAL 24 -1.939 -1.328 -13.347 187 H PHE 25 H PHE 25 -1.385 1.922 -9.767 188 HA PHE 25 HA PHE 25 -2.827 1.214 -7.433 189 HB2 PHE 25 2HB PHE 25 -1.353 3.723 -8.221 190 HB3 PHE 25 1HB PHE 25 -2.045 3.500 -6.624 191 HD1 PHE 25 1HD PHE 25 0.381 3.896 -5.944 192 HD2 PHE 25 2HD PHE 25 -0.882 0.374 -8.073 193 HE1 PHE 25 1HE PHE 25 2.422 2.714 -5.213 194 HE2 PHE 25 2HE PHE 25 1.146 -0.799 -7.329 195 HZ PHE 25 HZ PHE 25 2.799 0.353 -5.897 196 H THR 26 H THR 26 -3.386 3.984 -9.633 197 HA THR 26 HA THR 26 -5.813 4.611 -8.112 198 HB THR 26 HB THR 26 -5.974 6.536 -9.736 199 HG1 THR 26 1HG THR 26 -4.591 6.632 -11.302 200 HG21 THR 26 1HG2 THR 26 -3.538 7.347 -8.777 201 HG22 THR 26 2HG2 THR 26 -3.924 6.013 -7.689 202 HG23 THR 26 3HG2 THR 26 -5.037 7.375 -7.844 203 H SER 27 H SER 27 -5.176 2.519 -10.634 204 HA SER 27 HA SER 27 -7.782 3.034 -11.954 205 HB2 SER 27 2HB SER 27 -7.040 1.392 -13.595 206 HB3 SER 27 1HB SER 27 -5.774 2.586 -13.351 207 HG SER 27 HG SER 27 -4.668 0.779 -13.080 208 H ARG 28 H ARG 28 -6.056 0.189 -10.597 209 HA ARG 28 HA ARG 28 -8.363 -0.663 -9.074 210 HB2 ARG 28 2HB ARG 28 -8.463 -2.895 -10.484 211 HB3 ARG 28 1HB ARG 28 -9.423 -1.501 -10.954 212 HG2 ARG 28 2HG ARG 28 -8.396 -2.259 -12.960 213 HG3 ARG 28 1HG ARG 28 -7.459 -0.854 -12.490 214 HD2 ARG 28 2HD ARG 28 -5.670 -2.194 -11.684 215 HD3 ARG 28 1HD ARG 28 -6.663 -3.651 -11.676 216 HE ARG 28 HE ARG 28 -6.398 -3.818 -14.047 217 HH11 ARG 28 1HH1 ARG 28 -5.185 -3.351 -15.886 218 HH12 ARG 28 2HH1 ARG 28 -4.158 -1.956 -15.903 219 HH21 ARG 28 1HH2 ARG 28 -4.976 -0.978 -12.683 220 HH22 ARG 28 2HH2 ARG 28 -4.040 -0.618 -14.092 221 HA PRO 29 HA PRO 29 -4.097 -2.231 -8.029 222 HB2 PRO 29 2HB PRO 29 -4.406 -1.743 -5.297 223 HB3 PRO 29 1HB PRO 29 -3.543 -0.722 -6.455 224 HG2 PRO 29 2HG PRO 29 -6.197 -0.379 -5.264 225 HG3 PRO 29 1HG PRO 29 -5.090 0.826 -5.927 226 HD2 PRO 29 2HD PRO 29 -7.400 -0.058 -7.178 227 HD3 PRO 29 1HD PRO 29 -6.040 0.720 -8.011 228 H ALA 30 H ALA 30 -7.089 -2.836 -6.174 229 HA ALA 30 HA ALA 30 -6.089 -5.330 -5.084 230 HB1 ALA 30 1HB ALA 30 -8.659 -5.675 -4.691 231 HB2 ALA 30 2HB ALA 30 -8.772 -3.990 -5.197 232 HB3 ALA 30 3HB ALA 30 -7.800 -4.426 -3.792 233 H ASP 31 H ASP 31 -8.016 -4.493 -7.917 234 HA ASP 31 HA ASP 31 -8.964 -7.063 -8.584 235 HB2 ASP 31 2HB ASP 31 -9.484 -4.780 -9.673 236 HB3 ASP 31 1HB ASP 31 -8.079 -5.110 -10.685 237 H TRP 32 H TRP 32 -5.691 -5.736 -9.158 238 HA TRP 32 HA TRP 32 -4.955 -7.617 -11.149 239 HB2 TRP 32 2HB TRP 32 -2.686 -7.089 -10.762 240 HB3 TRP 32 1HB TRP 32 -3.560 -5.618 -10.367 241 HD1 TRP 32 HD TRP 32 -2.502 -8.751 -8.260 242 HE1 TRP 32 1HE TRP 32 -1.527 -7.907 -6.052 243 HE3 TRP 32 3HE TRP 32 -2.800 -3.733 -9.047 244 HZ2 TRP 32 2HZ TRP 32 -0.909 -5.433 -4.787 245 HZ3 TRP 32 3HZ TRP 32 -1.967 -2.141 -7.326 246 HH2 TRP 32 HH TRP 32 -1.017 -2.986 -5.198 247 H TRP 33 H TRP 33 -5.816 -8.232 -7.935 248 HA TRP 33 HA TRP 33 -4.162 -10.320 -7.125 249 HB2 TRP 33 2HB TRP 33 -6.670 -9.349 -6.364 250 HB3 TRP 33 1HB TRP 33 -6.956 -11.045 -6.749 251 HD1 TRP 33 HD TRP 33 -4.763 -8.823 -4.509 252 HE1 TRP 33 1HE TRP 33 -3.956 -10.230 -2.505 253 HE3 TRP 33 3HE TRP 33 -6.563 -13.405 -5.866 254 HZ2 TRP 33 2HZ TRP 33 -4.062 -12.940 -1.596 255 HZ3 TRP 33 3HZ TRP 33 -6.196 -15.381 -4.414 256 HH2 TRP 33 HH TRP 33 -4.948 -15.154 -2.283 257 HA PRO 34 HA PRO 34 -4.762 -13.299 -10.418 258 HB2 PRO 34 2HB PRO 34 -3.604 -15.475 -9.268 259 HB3 PRO 34 1HB PRO 34 -2.663 -14.100 -9.877 260 HG2 PRO 34 2HG PRO 34 -3.440 -14.773 -7.084 261 HG3 PRO 34 1HG PRO 34 -1.917 -14.113 -7.707 262 HD2 PRO 34 2HD PRO 34 -3.852 -12.575 -6.494 263 HD3 PRO 34 1HD PRO 34 -2.693 -11.946 -7.687 264 HA PRO 35 HA PRO 35 -8.437 -15.589 -9.506 265 HB2 PRO 35 2HB PRO 35 -8.058 -17.832 -11.082 266 HB3 PRO 35 1HB PRO 35 -8.621 -16.263 -11.684 267 HG2 PRO 35 2HG PRO 35 -5.914 -17.476 -11.801 268 HG3 PRO 35 1HG PRO 35 -6.752 -16.457 -12.983 269 HD2 PRO 35 2HD PRO 35 -4.790 -15.498 -11.345 270 HD3 PRO 35 1HD PRO 35 -6.130 -14.489 -11.932 271 H SER 36 H SER 36 -9.061 -16.984 -7.897 272 HA SER 36 HA SER 36 -7.551 -19.415 -7.295 273 HB2 SER 36 2HB SER 36 -6.866 -18.817 -5.064 274 HB3 SER 36 1HB SER 36 -6.274 -17.552 -6.136 275 HG SER 36 HG SER 36 -7.379 -16.808 -4.205 276 H HIS 37 H HIS 37 -8.606 -20.387 -5.139 277 HA HIS 37 HA HIS 37 -11.316 -20.887 -5.600 278 HB2 HIS 37 2HB HIS 37 -9.893 -20.768 -2.919 279 HB3 HIS 37 1HB HIS 37 -11.460 -21.530 -3.194 280 HD1 HIS 37 1HD HIS 37 -7.795 -21.982 -3.810 281 HD2 HIS 37 2HD HIS 37 -11.354 -23.973 -4.690 282 HE1 HIS 37 1HE HIS 37 -7.142 -24.283 -4.650 283 HE2 HIS 37 2HE HIS 37 -9.300 -25.502 -5.188 284 H VAL 38 H VAL 38 -9.814 -18.239 -3.830 285 HA VAL 38 HA VAL 38 -12.502 -16.942 -3.597 286 HB VAL 38 HB VAL 38 -10.050 -16.460 -1.873 287 HG11 VAL 38 1HG1 VAL 38 -11.635 -14.544 -2.151 288 HG12 VAL 38 2HG1 VAL 38 -11.573 -15.148 -0.495 289 HG13 VAL 38 3HG1 VAL 38 -12.931 -15.571 -1.538 290 HG21 VAL 38 1HG2 VAL 38 -10.868 -18.653 -1.344 291 HG22 VAL 38 2HG2 VAL 38 -12.547 -18.119 -1.435 292 HG23 VAL 38 3HG2 VAL 38 -11.518 -17.575 -0.109 293 H LEU 39 H LEU 39 -12.671 -14.896 -4.533 294 HA LEU 39 HA LEU 39 -10.885 -14.087 -6.543 295 HB2 LEU 39 2HB LEU 39 -12.624 -12.258 -4.856 296 HB3 LEU 39 1HB LEU 39 -11.993 -11.905 -6.464 297 HG LEU 39 HG LEU 39 -13.939 -14.118 -5.747 298 HD11 LEU 39 1HD1 LEU 39 -15.605 -12.778 -6.569 299 HD12 LEU 39 2HD1 LEU 39 -14.550 -12.025 -7.765 300 HD13 LEU 39 3HD1 LEU 39 -14.503 -11.490 -6.085 301 HD21 LEU 39 1HD2 LEU 39 -12.768 -15.060 -7.520 302 HD22 LEU 39 2HD2 LEU 39 -12.342 -13.493 -8.206 303 HD23 LEU 39 3HD2 LEU 39 -13.976 -14.126 -8.402 304 H VAL 40 H VAL 40 -10.960 -13.131 -3.118 305 HA VAL 40 HA VAL 40 -8.120 -12.296 -3.386 306 HB VAL 40 HB VAL 40 -8.724 -10.286 -1.888 307 HG11 VAL 40 1HG1 VAL 40 -8.067 -9.862 -4.144 308 HG12 VAL 40 2HG1 VAL 40 -9.581 -8.984 -3.921 309 HG13 VAL 40 3HG1 VAL 40 -9.572 -10.523 -4.784 310 HG21 VAL 40 1HG2 VAL 40 -11.007 -9.538 -1.913 311 HG22 VAL 40 2HG2 VAL 40 -11.046 -11.234 -1.433 312 HG23 VAL 40 3HG2 VAL 40 -11.465 -10.775 -3.083 313 H LYS 41 H LYS 41 -6.917 -12.779 -1.528 314 HA LYS 41 HA LYS 41 -8.012 -14.609 0.384 315 HB2 LYS 41 2HB LYS 41 -5.559 -14.358 -0.132 316 HB3 LYS 41 1HB LYS 41 -5.590 -12.828 0.742 317 HG2 LYS 41 2HG LYS 41 -6.389 -14.018 2.768 318 HG3 LYS 41 1HG LYS 41 -6.282 -15.545 1.892 319 HD2 LYS 41 2HD LYS 41 -3.848 -15.085 1.501 320 HD3 LYS 41 1HD LYS 41 -3.994 -13.661 2.532 321 HE2 LYS 41 2HE LYS 41 -4.263 -16.565 3.292 322 HE3 LYS 41 1HE LYS 41 -3.240 -15.326 4.018 323 HZ1 LYS 41 1HZ LYS 41 -6.181 -15.606 4.223 324 HZ2 LYS 41 2HZ LYS 41 -5.365 -14.183 4.664 325 HZ3 LYS 41 3HZ LYS 41 -5.040 -15.639 5.477 326 H LYS 42 H LYS 42 -7.584 -11.139 0.294 327 HA LYS 42 HA LYS 42 -8.842 -10.845 2.966 328 HB2 LYS 42 2HB LYS 42 -6.986 -9.423 2.869 329 HB3 LYS 42 1HB LYS 42 -7.208 -9.084 1.160 330 HG2 LYS 42 2HG LYS 42 -7.749 -7.102 2.479 331 HG3 LYS 42 1HG LYS 42 -9.212 -7.700 1.716 332 HD2 LYS 42 2HD LYS 42 -9.634 -8.971 3.918 333 HD3 LYS 42 1HD LYS 42 -8.364 -7.964 4.601 334 HE2 LYS 42 2HE LYS 42 -9.908 -6.115 3.279 335 HE3 LYS 42 1HE LYS 42 -11.117 -7.253 3.870 336 HZ1 LYS 42 1HZ LYS 42 -9.379 -6.934 5.958 337 HZ2 LYS 42 2HZ LYS 42 -10.922 -6.236 5.818 338 HZ3 LYS 42 3HZ LYS 42 -9.545 -5.370 5.325 339 H GLU 43 H GLU 43 -10.890 -9.858 3.152 340 HA GLU 43 HA GLU 43 -12.657 -10.075 0.917 341 HB2 GLU 43 2HB GLU 43 -12.966 -8.550 3.511 342 HB3 GLU 43 1HB GLU 43 -14.278 -8.893 2.388 343 HG2 GLU 43 2HG GLU 43 -13.834 -11.325 2.650 344 HG3 GLU 43 1HG GLU 43 -12.584 -10.948 3.836 345 H ARG 44 H ARG 44 -12.249 -8.815 -0.864 346 HA ARG 44 HA ARG 44 -12.125 -5.857 -0.430 347 HB2 ARG 44 2HB ARG 44 -10.703 -7.401 -2.627 348 HB3 ARG 44 1HB ARG 44 -10.650 -5.658 -2.373 349 HG2 ARG 44 2HG ARG 44 -9.722 -6.165 -0.044 350 HG3 ARG 44 1HG ARG 44 -9.498 -7.820 -0.605 351 HD2 ARG 44 2HD ARG 44 -8.206 -6.864 -2.573 352 HD3 ARG 44 1HD ARG 44 -8.251 -5.312 -1.744 353 HE ARG 44 HE ARG 44 -6.774 -6.191 -0.067 354 HH11 ARG 44 1HH1 ARG 44 -5.133 -7.645 0.453 355 HH12 ARG 44 2HH1 ARG 44 -5.003 -9.137 -0.419 356 HH21 ARG 44 1HH2 ARG 44 -7.729 -8.501 -2.458 357 HH22 ARG 44 2HH2 ARG 44 -6.468 -9.618 -2.062 358 H ALA 45 H ALA 45 -13.446 -4.647 -1.858 359 HA ALA 45 HA ALA 45 -15.100 -6.267 -3.763 360 HB1 ALA 45 1HB ALA 45 -16.805 -5.855 -2.327 361 HB2 ALA 45 2HB ALA 45 -16.754 -4.213 -2.971 362 HB3 ALA 45 3HB ALA 45 -15.898 -4.601 -1.479 363 H GLY 46 H GLY 46 -14.143 -2.935 -2.885 364 HA2 GLY 46 2HA GLY 46 -13.622 -2.357 -5.720 365 HA3 GLY 46 1HA GLY 46 -14.960 -1.454 -5.022 366 H LEU 47 H LEU 47 -12.892 0.076 -5.867 367 HA LEU 47 HA LEU 47 -11.764 1.015 -3.299 368 HB2 LEU 47 2HB LEU 47 -9.939 0.790 -5.688 369 HB3 LEU 47 1HB LEU 47 -9.518 1.036 -3.996 370 HG LEU 47 HG LEU 47 -10.550 -1.304 -3.593 371 HD11 LEU 47 1HD1 LEU 47 -11.351 -2.452 -5.363 372 HD12 LEU 47 2HD1 LEU 47 -9.828 -2.246 -6.222 373 HD13 LEU 47 3HD1 LEU 47 -11.088 -1.027 -6.366 374 HD21 LEU 47 1HD2 LEU 47 -8.450 -2.250 -3.756 375 HD22 LEU 47 2HD2 LEU 47 -8.005 -0.555 -3.897 376 HD23 LEU 47 3HD2 LEU 47 -8.143 -1.555 -5.344 377 H ALA 48 H ALA 48 -11.640 3.225 -3.207 378 HA ALA 48 HA ALA 48 -12.335 4.707 -5.702 379 HB1 ALA 48 1HB ALA 48 -12.260 6.207 -3.161 380 HB2 ALA 48 2HB ALA 48 -13.450 4.908 -3.187 381 HB3 ALA 48 3HB ALA 48 -13.506 6.178 -4.407 382 H PHE 49 H PHE 49 -10.796 6.140 -6.536 383 HA PHE 49 HA PHE 49 -8.346 6.577 -4.882 384 HB2 PHE 49 2HB PHE 49 -8.645 5.145 -7.424 385 HB3 PHE 49 1HB PHE 49 -7.373 6.368 -7.432 386 HD1 PHE 49 1HD PHE 49 -8.522 3.207 -5.957 387 HD2 PHE 49 2HD PHE 49 -5.469 6.221 -5.920 388 HE1 PHE 49 1HE PHE 49 -7.022 1.673 -4.720 389 HE2 PHE 49 2HE PHE 49 -3.969 4.693 -4.675 390 HZ PHE 49 HZ PHE 49 -4.742 2.420 -4.083 391 H GLU 50 H GLU 50 -7.700 8.652 -4.866 392 HA GLU 50 HA GLU 50 -8.461 10.383 -7.174 393 HB2 GLU 50 2HB GLU 50 -9.022 10.726 -4.290 394 HB3 GLU 50 1HB GLU 50 -8.466 12.161 -5.146 395 HG2 GLU 50 2HG GLU 50 -10.983 11.772 -5.072 396 HG3 GLU 50 1HG GLU 50 -10.288 12.080 -6.665 397 HA PRO 51 HA PRO 51 -4.039 11.266 -6.711 398 HB2 PRO 51 2HB PRO 51 -3.693 12.924 -8.780 399 HB3 PRO 51 1HB PRO 51 -4.132 11.224 -9.049 400 HG2 PRO 51 2HG PRO 51 -5.859 13.656 -9.122 401 HG3 PRO 51 1HG PRO 51 -5.838 12.257 -10.209 402 HD2 PRO 51 2HD PRO 51 -7.639 12.582 -8.115 403 HD3 PRO 51 1HD PRO 51 -7.207 11.022 -8.855 404 H PHE 52 H PHE 52 -2.792 12.839 -5.628 405 HA PHE 52 HA PHE 52 -2.850 15.572 -5.692 406 HB2 PHE 52 2HB PHE 52 -4.326 16.048 -3.574 407 HB3 PHE 52 1HB PHE 52 -5.082 15.961 -5.155 408 HD1 PHE 52 1HD PHE 52 -3.924 12.756 -3.789 409 HD2 PHE 52 2HD PHE 52 -7.214 15.526 -3.868 410 HE1 PHE 52 1HE PHE 52 -5.434 10.982 -2.993 411 HE2 PHE 52 2HE PHE 52 -8.717 13.734 -3.045 412 HZ PHE 52 HZ PHE 52 -7.809 11.459 -2.611 413 H VAL 53 H VAL 53 -2.210 16.641 -3.513 414 HA VAL 53 HA VAL 53 -0.221 14.879 -2.223 415 HB VAL 53 HB VAL 53 0.861 16.886 -2.494 416 HG11 VAL 53 1HG1 VAL 53 -0.400 19.090 -2.478 417 HG12 VAL 53 2HG1 VAL 53 -1.885 18.149 -2.351 418 HG13 VAL 53 3HG1 VAL 53 -0.850 17.978 -3.770 419 HG21 VAL 53 1HG2 VAL 53 0.894 18.162 -0.479 420 HG22 VAL 53 2HG2 VAL 53 0.459 16.528 0.013 421 HG23 VAL 53 3HG2 VAL 53 -0.786 17.771 -0.113 422 H GLY 54 H GLY 54 -0.371 14.291 0.014 423 HA2 GLY 54 2HA GLY 54 -1.524 13.897 2.051 424 HA3 GLY 54 1HA GLY 54 -2.356 15.440 1.784 425 H GLY 55 H GLY 55 -2.187 12.927 -0.559 426 HA2 GLY 55 2HA GLY 55 -4.989 12.941 -1.067 427 HA3 GLY 55 1HA GLY 55 -3.798 11.845 -1.758 428 H ARG 56 H ARG 56 -6.115 10.677 -1.397 429 HA ARG 56 HA ARG 56 -5.565 8.870 0.892 430 HB2 ARG 56 2HB ARG 56 -8.195 10.327 0.513 431 HB3 ARG 56 1HB ARG 56 -7.947 8.987 1.633 432 HG2 ARG 56 2HG ARG 56 -6.127 10.315 2.730 433 HG3 ARG 56 1HG ARG 56 -6.547 11.673 1.688 434 HD2 ARG 56 2HD ARG 56 -8.385 10.315 3.679 435 HD3 ARG 56 1HD ARG 56 -7.671 11.919 3.845 436 HE ARG 56 HE ARG 56 -9.023 12.155 1.485 437 HH11 ARG 56 1HH1 ARG 56 -11.214 12.677 1.303 438 HH12 ARG 56 2HH1 ARG 56 -12.294 12.289 2.600 439 HH21 ARG 56 1HH2 ARG 56 -9.827 10.873 4.583 440 HH22 ARG 56 2HH2 ARG 56 -11.509 11.267 4.457 441 H TYR 57 H TYR 57 -6.295 6.782 0.550 442 HA TYR 57 HA TYR 57 -7.757 6.275 -2.006 443 HB2 TYR 57 2HB TYR 57 -5.728 4.439 -0.693 444 HB3 TYR 57 1HB TYR 57 -6.541 4.172 -2.233 445 HD1 TYR 57 1HD TYR 57 -6.365 6.805 -3.576 446 HD2 TYR 57 2HD TYR 57 -3.466 4.741 -1.157 447 HE1 TYR 57 1HE TYR 57 -4.552 8.035 -4.704 448 HE2 TYR 57 2HE TYR 57 -1.647 5.971 -2.307 449 HH TYR 57 HH TYR 57 -2.297 8.053 -5.074 450 H TYR 58 H TYR 58 -9.490 4.877 -1.869 451 HA TYR 58 HA TYR 58 -10.213 3.987 0.896 452 HB2 TYR 58 2HB TYR 58 -12.136 4.668 -1.333 453 HB3 TYR 58 1HB TYR 58 -12.473 4.530 0.393 454 HD1 TYR 58 1HD TYR 58 -12.449 6.447 1.728 455 HD2 TYR 58 2HD TYR 58 -10.321 6.463 -2.009 456 HE1 TYR 58 1HE TYR 58 -11.891 8.840 2.049 457 HE2 TYR 58 2HE TYR 58 -9.763 8.846 -1.682 458 HH TYR 58 HH TYR 58 -10.363 10.486 1.321 459 H GLU 59 H GLU 59 -10.902 1.890 1.155 460 HA GLU 59 HA GLU 59 -11.032 0.191 -1.310 461 HB2 GLU 59 2HB GLU 59 -9.019 -0.194 0.149 462 HB3 GLU 59 1HB GLU 59 -10.114 -0.655 1.451 463 HG2 GLU 59 2HG GLU 59 -11.055 -2.437 -0.004 464 HG3 GLU 59 1HG GLU 59 -9.886 -2.004 -1.253 465 H TRP 60 H TRP 60 -12.720 -1.278 -1.425 466 HA TRP 60 HA TRP 60 -14.830 -0.961 0.660 467 HB2 TRP 60 2HB TRP 60 -14.833 -1.393 -2.266 468 HB3 TRP 60 1HB TRP 60 -16.035 -2.321 -1.368 469 HD1 TRP 60 HD TRP 60 -17.206 -0.558 0.696 470 HE1 TRP 60 1HE TRP 60 -18.332 1.709 0.149 471 HE3 TRP 60 3HE TRP 60 -15.072 0.434 -3.833 472 HZ2 TRP 60 2HZ TRP 60 -18.307 3.684 -1.942 473 HZ3 TRP 60 3HZ TRP 60 -15.623 2.495 -5.077 474 HH2 TRP 60 HH TRP 60 -17.231 4.116 -4.144 475 H ASP 61 H ASP 61 -15.335 -2.687 1.911 476 HA ASP 61 HA ASP 61 -14.223 -5.349 1.101 477 HB2 ASP 61 2HB ASP 61 -14.737 -4.193 3.843 478 HB3 ASP 61 1HB ASP 61 -14.327 -5.881 3.560 479 H ILE 62 H ILE 62 -15.577 -7.013 0.973 480 HA ILE 62 HA ILE 62 -18.288 -6.683 0.483 481 HB ILE 62 HB ILE 62 -16.912 -9.130 1.568 482 HG12 ILE 62 2HG1 ILE 62 -17.233 -9.373 -1.187 483 HG13 ILE 62 1HG1 ILE 62 -16.727 -7.698 -0.971 484 HG21 ILE 62 1HG2 ILE 62 -19.602 -8.537 0.751 485 HG22 ILE 62 2HG2 ILE 62 -18.956 -10.030 1.430 486 HG23 ILE 62 3HG2 ILE 62 -18.896 -9.753 -0.310 487 HD11 ILE 62 1HD1 ILE 62 -15.292 -10.051 0.286 488 HD12 ILE 62 2HD1 ILE 62 -14.752 -8.375 0.238 489 HD13 ILE 62 3HD1 ILE 62 -14.816 -9.322 -1.246 490 H ASP 63 H ASP 63 -16.630 -7.287 3.524 491 HA ASP 63 HA ASP 63 -19.264 -7.307 4.929 492 HB2 ASP 63 2HB ASP 63 -16.480 -8.050 5.880 493 HB3 ASP 63 1HB ASP 63 -17.920 -8.065 6.898 494 H GLY 64 H GLY 64 -16.512 -5.367 4.254 495 HA2 GLY 64 2HA GLY 64 -17.271 -3.489 6.441 496 HA3 GLY 64 1HA GLY 64 -15.665 -3.557 5.733 497 H THR 65 H THR 65 -17.983 -1.535 5.930 498 HA THR 65 HA THR 65 -18.905 -0.860 3.342 499 HB THR 65 HB THR 65 -18.220 1.167 5.452 500 HG1 THR 65 1HG THR 65 -19.774 -1.039 5.685 501 HG21 THR 65 1HG2 THR 65 -19.557 1.292 3.025 502 HG22 THR 65 2HG2 THR 65 -19.665 2.479 4.324 503 HG23 THR 65 3HG2 THR 65 -20.858 1.187 4.209 504 H GLU 66 H GLU 66 -17.887 1.946 3.418 505 HA GLU 66 HA GLU 66 -15.359 1.439 1.943 506 HB2 GLU 66 2HB GLU 66 -17.409 2.908 1.138 507 HB3 GLU 66 1HB GLU 66 -16.657 4.129 2.150 508 HG2 GLU 66 2HG GLU 66 -14.513 3.736 0.944 509 HG3 GLU 66 1HG GLU 66 -15.374 2.658 -0.150 510 H ILE 67 H ILE 67 -13.413 2.102 2.782 511 HA ILE 67 HA ILE 67 -13.377 4.147 4.913 512 HB ILE 67 HB ILE 67 -11.985 2.705 6.378 513 HG12 ILE 67 2HG1 ILE 67 -12.841 0.532 4.462 514 HG13 ILE 67 1HG1 ILE 67 -11.214 1.202 4.568 515 HG21 ILE 67 1HG2 ILE 67 -14.461 2.948 6.661 516 HG22 ILE 67 2HG2 ILE 67 -13.830 1.417 7.265 517 HG23 ILE 67 3HG2 ILE 67 -14.668 1.475 5.715 518 HD11 ILE 67 1HD1 ILE 67 -12.717 -0.290 6.733 519 HD12 ILE 67 2HD1 ILE 67 -11.180 0.537 6.995 520 HD13 ILE 67 3HD1 ILE 67 -11.269 -0.832 5.885 521 H VAL 68 H VAL 68 -11.083 4.746 5.487 522 HA VAL 68 HA VAL 68 -9.437 4.694 3.000 523 HB VAL 68 HB VAL 68 -9.065 6.400 5.481 524 HG11 VAL 68 1HG1 VAL 68 -7.911 6.421 2.687 525 HG12 VAL 68 2HG1 VAL 68 -7.043 6.319 4.219 526 HG13 VAL 68 3HG1 VAL 68 -7.830 7.826 3.748 527 HG21 VAL 68 1HG2 VAL 68 -10.023 7.789 3.123 528 HG22 VAL 68 2HG2 VAL 68 -10.694 7.780 4.753 529 HG23 VAL 68 3HG2 VAL 68 -11.155 6.525 3.603 530 H TRP 69 H TRP 69 -7.668 3.385 2.957 531 HA TRP 69 HA TRP 69 -6.690 2.311 5.577 532 HB2 TRP 69 2HB TRP 69 -6.272 0.281 4.557 533 HB3 TRP 69 1HB TRP 69 -7.636 0.830 3.584 534 HD1 TRP 69 HD TRP 69 -3.844 0.438 3.486 535 HE1 TRP 69 1HE TRP 69 -3.055 0.618 1.042 536 HE3 TRP 69 3HE TRP 69 -8.226 1.760 1.232 537 HZ2 TRP 69 2HZ TRP 69 -4.132 1.213 -1.527 538 HZ3 TRP 69 3HZ TRP 69 -8.304 2.115 -1.220 539 HH2 TRP 69 HH TRP 69 -6.282 1.842 -2.587 540 H GLY 70 H GLY 70 -5.843 4.636 3.393 541 HA2 GLY 70 2HA GLY 70 -3.050 4.559 4.273 542 HA3 GLY 70 1HA GLY 70 -3.257 4.268 2.549 543 H ARG 71 H ARG 71 -1.816 6.398 2.982 544 HA ARG 71 HA ARG 71 -3.597 8.655 2.275 545 HB2 ARG 71 2HB ARG 71 -2.622 8.449 4.864 546 HB3 ARG 71 1HB ARG 71 -1.436 9.485 4.075 547 HG2 ARG 71 2HG ARG 71 -3.323 10.892 3.206 548 HG3 ARG 71 1HG ARG 71 -4.426 9.929 4.188 549 HD2 ARG 71 2HD ARG 71 -3.082 10.541 6.211 550 HD3 ARG 71 1HD ARG 71 -2.113 11.608 5.196 551 HE ARG 71 HE ARG 71 -4.736 12.411 4.735 552 HH11 ARG 71 1HH1 ARG 71 -5.714 14.050 5.946 553 HH12 ARG 71 2HH1 ARG 71 -5.132 14.394 7.541 554 HH21 ARG 71 1HH2 ARG 71 -2.666 11.958 7.455 555 HH22 ARG 71 2HH2 ARG 71 -3.407 13.210 8.395 556 H ILE 72 H ILE 72 -1.928 10.612 1.811 557 HA ILE 72 HA ILE 72 0.470 9.500 0.457 558 HB ILE 72 HB ILE 72 -1.628 11.297 -0.762 559 HG12 ILE 72 2HG1 ILE 72 -1.245 9.559 -2.643 560 HG13 ILE 72 1HG1 ILE 72 -0.421 8.605 -1.411 561 HG21 ILE 72 1HG2 ILE 72 1.232 10.818 -1.619 562 HG22 ILE 72 2HG2 ILE 72 0.460 12.366 -1.275 563 HG23 ILE 72 3HG2 ILE 72 -0.009 11.445 -2.703 564 HD11 ILE 72 1HD1 ILE 72 -2.425 7.846 -0.729 565 HD12 ILE 72 2HD1 ILE 72 -3.254 8.918 -1.857 566 HD13 ILE 72 3HD1 ILE 72 -2.846 9.482 -0.244 567 H LEU 73 H LEU 73 2.082 11.309 -0.033 568 HA LEU 73 HA LEU 73 1.851 13.455 2.039 569 HB2 LEU 73 2HB LEU 73 4.194 11.854 1.039 570 HB3 LEU 73 1HB LEU 73 4.436 13.422 1.805 571 HG LEU 73 HG LEU 73 2.658 11.426 3.161 572 HD11 LEU 73 1HD1 LEU 73 4.531 10.353 4.241 573 HD12 LEU 73 2HD1 LEU 73 5.675 11.427 3.437 574 HD13 LEU 73 3HD1 LEU 73 4.779 10.232 2.501 575 HD21 LEU 73 1HD2 LEU 73 2.827 13.663 4.101 576 HD22 LEU 73 2HD2 LEU 73 4.589 13.587 4.066 577 HD23 LEU 73 3HD2 LEU 73 3.684 12.548 5.165 578 H GLU 74 H GLU 74 3.243 12.717 -1.150 579 HA GLU 74 HA GLU 74 2.355 15.165 -2.343 580 HB2 GLU 74 2HB GLU 74 4.139 16.077 -0.818 581 HB3 GLU 74 1HB GLU 74 5.315 15.080 -1.677 582 HG2 GLU 74 2HG GLU 74 4.679 16.214 -3.801 583 HG3 GLU 74 1HG GLU 74 3.588 17.258 -2.890 584 H TRP 75 H TRP 75 3.002 15.243 -4.611 585 HA TRP 75 HA TRP 75 4.150 12.652 -5.552 586 HB2 TRP 75 2HB TRP 75 2.860 13.029 -7.622 587 HB3 TRP 75 1HB TRP 75 1.802 13.025 -6.209 588 HD1 TRP 75 HD TRP 75 0.843 15.372 -5.371 589 HE1 TRP 75 1HE TRP 75 0.505 17.613 -6.599 590 HE3 TRP 75 3HE TRP 75 3.808 14.595 -9.455 591 HZ2 TRP 75 2HZ TRP 75 1.376 18.906 -8.997 592 HZ3 TRP 75 3HZ TRP 75 4.036 16.346 -11.194 593 HH2 TRP 75 HH TRP 75 2.825 18.499 -10.971 594 H ASP 76 H ASP 76 6.024 12.739 -6.714 595 HA ASP 76 HA ASP 76 7.045 15.428 -7.454 596 HB2 ASP 76 2HB ASP 76 8.296 13.387 -6.131 597 HB3 ASP 76 1HB ASP 76 8.825 13.108 -7.791 598 HA PRO 77 HA PRO 77 5.757 14.451 -11.643 599 HB2 PRO 77 2HB PRO 77 7.779 16.229 -12.715 600 HB3 PRO 77 1HB PRO 77 6.023 16.411 -12.699 601 HG2 PRO 77 2HG PRO 77 7.923 17.762 -11.098 602 HG3 PRO 77 1HG PRO 77 6.162 17.892 -11.049 603 HD2 PRO 77 2HD PRO 77 7.879 16.697 -9.101 604 HD3 PRO 77 1HD PRO 77 6.107 16.772 -9.080 605 HA PRO 78 HA PRO 78 10.315 13.317 -13.248 606 HB2 PRO 78 2HB PRO 78 11.321 12.667 -10.499 607 HB3 PRO 78 1HB PRO 78 12.207 13.270 -11.910 608 HG2 PRO 78 2HG PRO 78 11.548 14.862 -9.870 609 HG3 PRO 78 1HG PRO 78 11.585 15.441 -11.544 610 HD2 PRO 78 2HD PRO 78 9.243 14.901 -9.801 611 HD3 PRO 78 1HD PRO 78 9.389 16.003 -11.183 612 H HIS 79 H HIS 79 10.097 11.499 -10.197 613 HA HIS 79 HA HIS 79 8.262 9.525 -11.071 614 HB2 HIS 79 2HB HIS 79 9.965 7.691 -11.426 615 HB3 HIS 79 1HB HIS 79 9.943 8.906 -12.700 616 HD1 HIS 79 1HD HIS 79 11.629 9.096 -9.285 617 HD2 HIS 79 2HD HIS 79 12.624 9.207 -13.335 618 HE1 HIS 79 1HE HIS 79 14.104 9.628 -9.402 619 HE2 HIS 79 2HE HIS 79 14.721 9.691 -11.862 620 H ARG 80 H ARG 80 8.700 11.027 -8.741 621 HA ARG 80 HA ARG 80 9.443 8.850 -6.829 622 HB2 ARG 80 2HB ARG 80 11.330 10.332 -6.781 623 HB3 ARG 80 1HB ARG 80 10.288 11.754 -6.721 624 HG2 ARG 80 2HG ARG 80 9.555 11.240 -4.507 625 HG3 ARG 80 1HG ARG 80 10.261 9.625 -4.577 626 HD2 ARG 80 2HD ARG 80 11.770 10.976 -3.292 627 HD3 ARG 80 1HD ARG 80 12.518 10.743 -4.869 628 HE ARG 80 HE ARG 80 11.038 13.121 -5.066 629 HH11 ARG 80 1HH1 ARG 80 12.025 15.125 -4.723 630 HH12 ARG 80 2HH1 ARG 80 13.478 15.211 -3.785 631 HH21 ARG 80 1HH2 ARG 80 13.607 11.798 -3.185 632 HH22 ARG 80 2HH2 ARG 80 14.374 13.328 -2.915 633 H LEU 81 H LEU 81 7.972 8.555 -5.230 634 HA LEU 81 HA LEU 81 6.033 10.745 -4.689 635 HB2 LEU 81 2HB LEU 81 5.326 7.862 -5.250 636 HB3 LEU 81 1HB LEU 81 4.193 9.068 -4.649 637 HG LEU 81 HG LEU 81 5.372 10.304 -6.836 638 HD11 LEU 81 1HD1 LEU 81 5.097 8.635 -8.653 639 HD12 LEU 81 2HD1 LEU 81 4.826 7.393 -7.430 640 HD13 LEU 81 3HD1 LEU 81 6.388 8.203 -7.532 641 HD21 LEU 81 1HD2 LEU 81 2.972 10.313 -6.117 642 HD22 LEU 81 2HD2 LEU 81 2.805 8.697 -6.802 643 HD23 LEU 81 3HD2 LEU 81 3.174 10.064 -7.851 644 H ALA 82 H ALA 82 5.885 11.094 -2.562 645 HA ALA 82 HA ALA 82 6.722 8.918 -0.687 646 HB1 ALA 82 1HB ALA 82 6.482 11.917 -0.231 647 HB2 ALA 82 2HB ALA 82 7.994 11.037 -0.453 648 HB3 ALA 82 3HB ALA 82 7.004 10.742 0.976 649 H MET 83 H MET 83 5.146 8.316 0.965 650 HA MET 83 HA MET 83 2.596 9.800 0.826 651 HB2 MET 83 2HB MET 83 1.456 7.448 0.734 652 HB3 MET 83 1HB MET 83 2.033 8.197 -0.755 653 HG2 MET 83 2HG MET 83 4.075 6.904 -0.692 654 HG3 MET 83 1HG MET 83 3.683 6.276 0.907 655 HE1 MET 83 1HE MET 83 1.887 5.203 -3.147 656 HE2 MET 83 2HE MET 83 3.115 6.403 -2.749 657 HE3 MET 83 3HE MET 83 1.418 6.742 -2.411 658 H THR 84 H THR 84 1.223 9.591 2.591 659 HA THR 84 HA THR 84 2.464 8.326 4.995 660 HB THR 84 HB THR 84 0.490 10.585 4.625 661 HG1 THR 84 1HG THR 84 2.156 11.184 6.437 662 HG21 THR 84 1HG2 THR 84 -0.597 9.330 6.307 663 HG22 THR 84 2HG2 THR 84 0.373 10.500 7.201 664 HG23 THR 84 3HG2 THR 84 0.927 8.833 7.040 665 H TRP 85 H TRP 85 0.948 7.050 6.383 666 HA TRP 85 HA TRP 85 -1.174 5.797 4.693 667 HB2 TRP 85 2HB TRP 85 0.606 4.796 6.880 668 HB3 TRP 85 1HB TRP 85 -0.972 4.035 6.663 669 HD1 TRP 85 HD TRP 85 0.795 5.397 3.603 670 HE1 TRP 85 1HE TRP 85 1.559 3.433 2.121 671 HE3 TRP 85 3HE TRP 85 -0.172 1.492 6.748 672 HZ2 TRP 85 2HZ TRP 85 1.737 0.582 2.250 673 HZ3 TRP 85 3HZ TRP 85 0.305 -0.837 6.043 674 HH2 TRP 85 HH TRP 85 1.257 -1.296 3.801 675 H ARG 86 H ARG 86 -3.283 6.138 5.233 676 HA ARG 86 HA ARG 86 -3.852 7.186 7.984 677 HB2 ARG 86 2HB ARG 86 -4.463 8.727 6.128 678 HB3 ARG 86 1HB ARG 86 -5.512 7.479 5.459 679 HG2 ARG 86 2HG ARG 86 -6.800 7.465 7.588 680 HG3 ARG 86 1HG ARG 86 -5.780 8.774 8.187 681 HD2 ARG 86 2HD ARG 86 -6.484 10.152 6.217 682 HD3 ARG 86 1HD ARG 86 -7.606 8.866 5.770 683 HE ARG 86 HE ARG 86 -9.012 9.532 7.557 684 HH11 ARG 86 1HH1 ARG 86 -9.570 10.943 9.232 685 HH12 ARG 86 2HH1 ARG 86 -8.378 12.026 9.869 686 HH21 ARG 86 1HH2 ARG 86 -5.868 10.935 7.738 687 HH22 ARG 86 2HH2 ARG 86 -6.281 12.021 9.023 688 H ILE 87 H ILE 87 -3.965 5.014 8.850 689 HA ILE 87 HA ILE 87 -6.491 3.619 8.091 690 HB ILE 87 HB ILE 87 -4.356 2.474 7.245 691 HG12 ILE 87 2HG1 ILE 87 -5.951 0.822 9.216 692 HG13 ILE 87 1HG1 ILE 87 -6.650 1.398 7.702 693 HG21 ILE 87 1HG2 ILE 87 -3.139 2.997 9.435 694 HG22 ILE 87 2HG2 ILE 87 -2.973 1.349 8.832 695 HG23 ILE 87 3HG2 ILE 87 -4.086 1.695 10.156 696 HD11 ILE 87 1HD1 ILE 87 -4.094 -0.220 7.881 697 HD12 ILE 87 2HD1 ILE 87 -4.953 0.239 6.413 698 HD13 ILE 87 3HD1 ILE 87 -5.679 -0.912 7.534 699 H ASP 88 H ASP 88 -7.341 2.259 9.877 700 HA ASP 88 HA ASP 88 -6.603 3.423 12.532 701 HB2 ASP 88 2HB ASP 88 -9.250 2.148 12.051 702 HB3 ASP 88 1HB ASP 88 -8.838 3.534 13.067 703 H GLY 89 H GLY 89 -6.969 1.958 14.400 704 HA2 GLY 89 2HA GLY 89 -5.634 -0.524 14.106 705 HA3 GLY 89 1HA GLY 89 -6.592 -0.066 15.513 706 H HIS 90 H HIS 90 -9.121 0.197 14.205 707 HA HIS 90 HA HIS 90 -9.654 -2.682 13.610 708 HB2 HIS 90 2HB HIS 90 -10.972 -0.720 15.278 709 HB3 HIS 90 1HB HIS 90 -12.093 -1.341 14.071 710 HD1 HIS 90 1HD HIS 90 -10.860 -2.143 17.328 711 HD2 HIS 90 2HD HIS 90 -11.850 -4.384 13.952 712 HE1 HIS 90 1HE HIS 90 -11.212 -4.524 18.127 713 HE2 HIS 90 2HE HIS 90 -11.816 -5.896 16.080 714 H TRP 91 H TRP 91 -8.750 -0.608 11.663 715 HA TRP 91 HA TRP 91 -9.252 0.041 9.468 716 HB2 TRP 91 2HB TRP 91 -11.365 -2.125 9.731 717 HB3 TRP 91 1HB TRP 91 -10.872 -1.362 8.229 718 HD1 TRP 91 HD TRP 91 -8.351 -1.837 7.382 719 HE1 TRP 91 1HE TRP 91 -6.840 -3.891 7.746 720 HE3 TRP 91 3HE TRP 91 -10.671 -3.950 11.394 721 HZ2 TRP 91 2HZ TRP 91 -6.659 -6.151 9.513 722 HZ3 TRP 91 3HZ TRP 91 -9.828 -6.044 12.397 723 HH2 TRP 91 HH TRP 91 -7.817 -7.147 11.461 724 H GLN 92 H GLN 92 -10.725 1.226 11.856 725 HA GLN 92 HA GLN 92 -13.203 2.133 10.445 726 HB2 GLN 92 2HB GLN 92 -12.437 2.297 13.377 727 HB3 GLN 92 1HB GLN 92 -13.927 2.940 12.689 728 HG2 GLN 92 2HG GLN 92 -14.572 0.685 11.940 729 HG3 GLN 92 1HG GLN 92 -13.071 0.041 12.588 730 HE21 GLN 92 1HE2 GLN 92 -15.594 -0.893 13.551 731 HE22 GLN 92 2HE2 GLN 92 -15.775 -0.387 15.160 732 H SER 93 H SER 93 -12.523 3.857 9.206 733 HA SER 93 HA SER 93 -10.449 5.644 9.640 734 HB2 SER 93 2HB SER 93 -11.845 5.639 7.609 735 HB3 SER 93 1HB SER 93 -13.186 6.323 8.529 736 HG SER 93 HG SER 93 -12.226 8.212 8.518 737 H VAL 94 H VAL 94 -10.082 7.402 10.930 738 HA VAL 94 HA VAL 94 -12.268 8.218 12.806 739 HB VAL 94 HB VAL 94 -10.033 8.888 14.185 740 HG11 VAL 94 1HG1 VAL 94 -11.260 6.114 14.157 741 HG12 VAL 94 2HG1 VAL 94 -11.966 7.515 14.963 742 HG13 VAL 94 3HG1 VAL 94 -10.417 6.871 15.508 743 HG21 VAL 94 1HG2 VAL 94 -8.789 7.672 12.188 744 HG22 VAL 94 2HG2 VAL 94 -9.244 6.216 13.075 745 HG23 VAL 94 3HG2 VAL 94 -8.241 7.441 13.849 746 HA PRO 95 HA PRO 95 -11.934 12.379 11.444 747 HB2 PRO 95 2HB PRO 95 -11.371 13.637 13.928 748 HB3 PRO 95 1HB PRO 95 -12.963 13.405 13.187 749 HG2 PRO 95 2HG PRO 95 -11.636 11.866 15.323 750 HG3 PRO 95 1HG PRO 95 -13.360 12.110 15.003 751 HD2 PRO 95 2HD PRO 95 -12.116 9.748 14.498 752 HD3 PRO 95 1HD PRO 95 -13.475 10.333 13.511 753 H ASP 96 H ASP 96 -9.384 11.182 13.561 754 HA ASP 96 HA ASP 96 -7.369 12.445 11.845 755 HB2 ASP 96 2HB ASP 96 -8.074 14.125 13.708 756 HB3 ASP 96 1HB ASP 96 -7.190 13.038 14.781 757 H ASP 97 H ASP 97 -5.308 11.437 12.117 758 HA ASP 97 HA ASP 97 -5.434 8.918 13.699 759 HB2 ASP 97 2HB ASP 97 -3.811 9.735 11.286 760 HB3 ASP 97 1HB ASP 97 -3.483 8.273 12.212 761 H ASP 98 H ASP 98 -4.351 8.981 15.586 762 HA ASP 98 HA ASP 98 -2.193 10.947 16.000 763 HB2 ASP 98 2HB ASP 98 -3.555 8.963 17.828 764 HB3 ASP 98 1HB ASP 98 -2.271 10.055 18.345 765 H ARG 99 H ARG 99 -2.584 7.784 14.962 766 HA ARG 99 HA ARG 99 0.191 7.039 15.732 767 HB2 ARG 99 2HB ARG 99 -0.697 4.676 15.230 768 HB3 ARG 99 1HB ARG 99 -1.283 5.448 16.704 769 HG2 ARG 99 2HG ARG 99 -3.304 6.214 15.452 770 HG3 ARG 99 1HG ARG 99 -2.728 5.331 14.036 771 HD2 ARG 99 2HD ARG 99 -2.731 3.239 15.421 772 HD3 ARG 99 1HD ARG 99 -3.464 4.161 16.733 773 HE ARG 99 HE ARG 99 -4.812 3.283 14.284 774 HH11 ARG 99 1HH1 ARG 99 -7.026 3.738 14.214 775 HH12 ARG 99 2HH1 ARG 99 -7.706 4.846 15.358 776 HH21 ARG 99 1HH2 ARG 99 -4.688 5.467 16.948 777 HH22 ARG 99 2HH2 ARG 99 -6.382 5.825 16.906 778 H ALA 100 H ALA 100 -0.492 8.689 13.431 779 HA ALA 100 HA ALA 100 -0.319 6.891 11.106 780 HB1 ALA 100 1HB ALA 100 -1.372 9.427 11.500 781 HB2 ALA 100 2HB ALA 100 -1.112 8.655 9.936 782 HB3 ALA 100 3HB ALA 100 0.110 9.740 10.599 783 H SER 101 H SER 101 1.476 6.797 9.701 784 HA SER 101 HA SER 101 4.006 8.013 10.737 785 HB2 SER 101 2HB SER 101 5.196 5.978 10.144 786 HB3 SER 101 1HB SER 101 3.853 5.548 11.199 787 HG SER 101 HG SER 101 2.682 4.934 9.377 788 H GLU 102 H GLU 102 5.698 8.150 8.950 789 HA GLU 102 HA GLU 102 4.332 8.824 6.378 790 HB2 GLU 102 2HB GLU 102 6.959 9.831 7.508 791 HB3 GLU 102 1HB GLU 102 6.249 10.331 5.972 792 HG2 GLU 102 2HG GLU 102 4.239 11.142 7.195 793 HG3 GLU 102 1HG GLU 102 5.021 10.716 8.718 794 H ILE 103 H ILE 103 5.069 7.939 4.474 795 HA ILE 103 HA ILE 103 7.346 6.005 4.673 796 HB ILE 103 HB ILE 103 4.870 5.775 2.932 797 HG12 ILE 103 2HG1 ILE 103 5.651 4.192 5.399 798 HG13 ILE 103 1HG1 ILE 103 4.451 5.486 5.387 799 HG21 ILE 103 1HG2 ILE 103 7.318 4.679 2.460 800 HG22 ILE 103 2HG2 ILE 103 5.803 3.901 2.010 801 HG23 ILE 103 3HG2 ILE 103 6.616 3.448 3.507 802 HD11 ILE 103 1HD1 ILE 103 3.379 4.113 3.428 803 HD12 ILE 103 2HD1 ILE 103 3.116 3.588 5.091 804 HD13 ILE 103 3HD1 ILE 103 4.321 2.776 4.091 805 H GLU 104 H GLU 104 8.887 6.165 3.066 806 HA GLU 104 HA GLU 104 8.438 8.301 1.011 807 HB2 GLU 104 2HB GLU 104 10.284 8.709 2.660 808 HB3 GLU 104 1HB GLU 104 11.077 7.246 2.070 809 HG2 GLU 104 2HG GLU 104 11.096 8.225 -0.224 810 HG3 GLU 104 1HG GLU 104 10.411 9.712 0.434 811 H VAL 105 H VAL 105 8.410 7.633 -1.097 812 HA VAL 105 HA VAL 105 9.710 5.037 -1.751 813 HB VAL 105 HB VAL 105 7.018 5.888 -2.827 814 HG11 VAL 105 1HG1 VAL 105 8.375 4.354 -4.236 815 HG12 VAL 105 2HG1 VAL 105 6.922 3.570 -3.614 816 HG13 VAL 105 3HG1 VAL 105 8.488 3.237 -2.876 817 HG21 VAL 105 1HG2 VAL 105 6.441 3.757 -1.302 818 HG22 VAL 105 2HG2 VAL 105 6.397 5.399 -0.661 819 HG23 VAL 105 3HG2 VAL 105 7.808 4.379 -0.378 820 H ASP 106 H ASP 106 10.915 5.102 -3.604 821 HA ASP 106 HA ASP 106 10.624 7.527 -5.340 822 HB2 ASP 106 2HB ASP 106 13.105 5.910 -4.678 823 HB3 ASP 106 1HB ASP 106 13.051 7.233 -5.846 824 H PHE 107 H PHE 107 10.245 7.132 -7.504 825 HA PHE 107 HA PHE 107 10.456 4.291 -8.401 826 HB2 PHE 107 2HB PHE 107 8.603 6.488 -9.375 827 HB3 PHE 107 1HB PHE 107 8.678 4.853 -10.012 828 HD1 PHE 107 1HD PHE 107 8.159 6.723 -6.816 829 HD2 PHE 107 2HD PHE 107 7.381 3.156 -9.073 830 HE1 PHE 107 1HE PHE 107 6.583 5.958 -5.063 831 HE2 PHE 107 2HE PHE 107 5.810 2.385 -7.315 832 HZ PHE 107 HZ PHE 107 5.410 3.786 -5.310 833 H VAL 108 H VAL 108 11.572 3.879 -10.294 834 HA VAL 108 HA VAL 108 12.736 6.229 -11.724 835 HB VAL 108 HB VAL 108 14.255 3.665 -11.479 836 HG11 VAL 108 1HG1 VAL 108 15.049 6.587 -11.629 837 HG12 VAL 108 2HG1 VAL 108 15.037 5.457 -12.983 838 HG13 VAL 108 3HG1 VAL 108 16.162 5.220 -11.646 839 HG21 VAL 108 1HG2 VAL 108 13.639 4.166 -9.172 840 HG22 VAL 108 2HG2 VAL 108 14.103 5.854 -9.384 841 HG23 VAL 108 3HG2 VAL 108 15.333 4.590 -9.417 842 HA PRO 109 HA PRO 109 10.773 3.784 -15.011 843 HB2 PRO 109 2HB PRO 109 11.104 5.572 -17.040 844 HB3 PRO 109 1HB PRO 109 9.845 5.748 -15.804 845 HG2 PRO 109 2HG PRO 109 12.448 7.138 -16.066 846 HG3 PRO 109 1HG PRO 109 10.891 7.751 -15.491 847 HD2 PRO 109 2HD PRO 109 12.982 7.015 -13.832 848 HD3 PRO 109 1HD PRO 109 11.276 7.064 -13.329 849 H ASN 110 H ASN 110 11.751 2.205 -16.156 850 HA ASN 110 HA ASN 110 14.432 2.755 -17.337 851 HB2 ASN 110 2HB ASN 110 14.292 1.072 -15.382 852 HB3 ASN 110 1HB ASN 110 13.469 0.019 -16.532 853 HD21 ASN 110 1HD2 ASN 110 15.504 -1.373 -16.168 854 HD22 ASN 110 2HD2 ASN 110 16.863 -1.034 -17.126 855 H GLY 111 H GLY 111 14.684 2.146 -19.504 856 HA2 GLY 111 2HA GLY 111 12.331 1.950 -21.104 857 HA3 GLY 111 1HA GLY 111 13.966 1.615 -21.677 858 H SER 112 H SER 112 12.352 -0.034 -22.831 859 HA SER 112 HA SER 112 11.802 -2.294 -23.126 860 HB2 SER 112 2HB SER 112 13.685 -3.453 -22.685 861 HB3 SER 112 1HB SER 112 14.204 -2.223 -21.536 862 HG SER 112 HG SER 112 13.872 -3.802 -20.166 863 H GLY 113 H GLY 113 10.587 -0.472 -20.875 864 HA2 GLY 113 2HA GLY 113 8.728 -0.747 -19.455 865 HA3 GLY 113 1HA GLY 113 8.646 -2.431 -19.988 866 H GLY 114 H GLY 114 10.629 -0.294 -17.911 867 HA2 GLY 114 2HA GLY 114 10.658 -2.428 -15.877 868 HA3 GLY 114 1HA GLY 114 12.222 -1.887 -16.474 869 H THR 115 H THR 115 10.496 -1.593 -13.863 870 HA THR 115 HA THR 115 11.252 1.265 -13.472 871 HB THR 115 HB THR 115 8.629 -0.062 -12.836 872 HG1 THR 115 1HG THR 115 9.414 2.447 -13.895 873 HG21 THR 115 1HG2 THR 115 9.115 0.782 -10.709 874 HG22 THR 115 2HG2 THR 115 8.251 2.119 -11.463 875 HG23 THR 115 3HG2 THR 115 10.011 2.156 -11.350 876 H ARG 116 H ARG 116 12.344 1.638 -11.591 877 HA ARG 116 HA ARG 116 12.669 -0.684 -9.739 878 HB2 ARG 116 2HB ARG 116 14.749 0.247 -10.775 879 HB3 ARG 116 1HB ARG 116 14.391 1.804 -10.021 880 HG2 ARG 116 2HG ARG 116 14.418 0.687 -7.790 881 HG3 ARG 116 1HG ARG 116 14.890 -0.818 -8.580 882 HD2 ARG 116 2HD ARG 116 16.451 1.780 -8.688 883 HD3 ARG 116 1HD ARG 116 16.859 0.387 -7.688 884 HE ARG 116 HE ARG 116 16.633 -0.168 -10.568 885 HH11 ARG 116 1HH1 ARG 116 18.543 -0.907 -11.522 886 HH12 ARG 116 2HH1 ARG 116 20.033 -0.793 -10.648 887 HH21 ARG 116 1HH2 ARG 116 18.588 0.658 -7.849 888 HH22 ARG 116 2HH2 ARG 116 20.058 0.093 -8.569 889 H VAL 117 H VAL 117 11.720 -0.500 -7.747 890 HA VAL 117 HA VAL 117 10.968 2.255 -6.841 891 HB VAL 117 HB VAL 117 9.414 -0.301 -6.402 892 HG11 VAL 117 1HG1 VAL 117 9.200 1.334 -4.572 893 HG12 VAL 117 2HG1 VAL 117 7.699 1.221 -5.492 894 HG13 VAL 117 3HG1 VAL 117 8.785 2.589 -5.742 895 HG21 VAL 117 1HG2 VAL 117 9.321 1.812 -8.482 896 HG22 VAL 117 2HG2 VAL 117 7.769 1.312 -7.808 897 HG23 VAL 117 3HG2 VAL 117 8.824 0.121 -8.565 898 H GLU 118 H GLU 118 11.468 2.774 -4.783 899 HA GLU 118 HA GLU 118 12.591 0.615 -3.036 900 HB2 GLU 118 2HB GLU 118 13.320 3.570 -3.065 901 HB3 GLU 118 1HB GLU 118 14.053 2.329 -2.050 902 HG2 GLU 118 2HG GLU 118 14.862 1.164 -4.082 903 HG3 GLU 118 1HG GLU 118 14.164 2.440 -5.079 904 H LEU 119 H LEU 119 10.805 0.211 -1.715 905 HA LEU 119 HA LEU 119 9.351 2.579 -0.644 906 HB2 LEU 119 2HB LEU 119 8.068 0.760 -1.824 907 HB3 LEU 119 1HB LEU 119 8.529 -0.328 -0.528 908 HG LEU 119 HG LEU 119 7.321 2.255 0.313 909 HD11 LEU 119 1HD1 LEU 119 5.047 1.494 -0.140 910 HD12 LEU 119 2HD1 LEU 119 5.659 0.010 -0.871 911 HD13 LEU 119 3HD1 LEU 119 5.943 1.562 -1.658 912 HD21 LEU 119 1HD2 LEU 119 8.049 0.054 1.659 913 HD22 LEU 119 2HD2 LEU 119 6.422 -0.453 1.210 914 HD23 LEU 119 3HD2 LEU 119 6.658 1.017 2.153 915 H ALA 120 H ALA 120 9.656 3.158 1.433 916 HA ALA 120 HA ALA 120 10.685 1.105 3.345 917 HB1 ALA 120 1HB ALA 120 12.486 2.369 3.929 918 HB2 ALA 120 2HB ALA 120 11.580 3.878 3.810 919 HB3 ALA 120 3HB ALA 120 12.246 3.134 2.357 920 H HIS 121 H HIS 121 9.666 1.154 5.325 921 HA HIS 121 HA HIS 121 7.757 3.409 5.827 922 HB2 HIS 121 2HB HIS 121 6.131 1.922 6.556 923 HB3 HIS 121 1HB HIS 121 6.918 0.923 5.335 924 HD1 HIS 121 1HD HIS 121 5.718 0.573 8.601 925 HD2 HIS 121 2HD HIS 121 9.345 -0.442 6.816 926 HE1 HIS 121 1HE HIS 121 6.791 -1.169 10.105 927 HE2 HIS 121 2HE HIS 121 8.997 -1.799 9.018 928 H VAL 122 H VAL 122 7.955 4.386 7.853 929 HA VAL 122 HA VAL 122 9.742 3.025 9.817 930 HB VAL 122 HB VAL 122 10.818 5.213 10.285 931 HG11 VAL 122 1HG1 VAL 122 12.398 4.711 8.745 932 HG12 VAL 122 2HG1 VAL 122 11.298 5.027 7.402 933 HG13 VAL 122 3HG1 VAL 122 11.293 3.451 8.196 934 HG21 VAL 122 1HG2 VAL 122 8.672 6.120 8.581 935 HG22 VAL 122 2HG2 VAL 122 10.219 6.591 7.879 936 HG23 VAL 122 3HG2 VAL 122 9.812 7.082 9.523 937 H LYS 123 H LYS 123 9.428 3.581 11.983 938 HA LYS 123 HA LYS 123 8.153 4.093 13.869 939 HB2 LYS 123 2HB LYS 123 7.033 6.393 12.271 940 HB3 LYS 123 1HB LYS 123 7.357 6.313 14.004 941 HG2 LYS 123 2HG LYS 123 9.383 6.420 11.758 942 HG3 LYS 123 1HG LYS 123 9.135 7.608 13.038 943 HD2 LYS 123 2HD LYS 123 9.732 5.776 14.698 944 HD3 LYS 123 1HD LYS 123 10.237 4.801 13.316 945 HE2 LYS 123 2HE LYS 123 12.203 5.918 14.139 946 HE3 LYS 123 1HE LYS 123 11.743 6.716 12.634 947 HZ1 LYS 123 1HZ LYS 123 12.287 8.200 14.586 948 HZ2 LYS 123 2HZ LYS 123 10.821 7.683 15.274 949 HZ3 LYS 123 3HZ LYS 123 10.822 8.511 13.791 950 H LEU 124 H LEU 124 6.988 2.345 11.805 951 HA LEU 124 HA LEU 124 4.170 2.977 11.582 952 HB2 LEU 124 2HB LEU 124 5.613 1.378 10.145 953 HB3 LEU 124 1HB LEU 124 5.324 0.210 11.430 954 HG LEU 124 HG LEU 124 2.858 0.661 11.185 955 HD11 LEU 124 1HD1 LEU 124 2.731 1.601 8.558 956 HD12 LEU 124 2HD1 LEU 124 3.919 2.649 9.334 957 HD13 LEU 124 3HD1 LEU 124 2.296 2.504 10.008 958 HD21 LEU 124 1HD2 LEU 124 3.053 -1.246 10.008 959 HD22 LEU 124 2HD2 LEU 124 4.644 -0.769 9.417 960 HD23 LEU 124 3HD2 LEU 124 3.195 -0.261 8.552 961 H HIS 125 H HIS 125 6.158 0.959 13.689 962 HA HIS 125 HA HIS 125 4.289 -0.415 15.200 963 HB2 HIS 125 2HB HIS 125 6.651 -0.679 15.626 964 HB3 HIS 125 1HB HIS 125 6.774 0.991 16.171 965 HD1 HIS 125 1HD HIS 125 4.348 -1.818 17.088 966 HD2 HIS 125 2HD HIS 125 6.909 0.914 18.926 967 HE1 HIS 125 1HE HIS 125 4.080 -2.151 19.587 968 HE2 HIS 125 2HE HIS 125 5.634 -0.493 20.714 969 H ARG 126 H ARG 126 4.598 2.989 15.008 970 HA ARG 126 HA ARG 126 3.740 3.871 17.510 971 HB2 ARG 126 2HB ARG 126 2.998 4.856 14.762 972 HB3 ARG 126 1HB ARG 126 2.489 5.685 16.232 973 HG2 ARG 126 2HG ARG 126 4.875 5.819 16.931 974 HG3 ARG 126 1HG ARG 126 5.343 5.110 15.390 975 HD2 ARG 126 2HD ARG 126 4.174 6.996 14.225 976 HD3 ARG 126 1HD ARG 126 3.876 7.732 15.800 977 HE ARG 126 HE ARG 126 6.382 7.795 14.362 978 HH11 ARG 126 1HH1 ARG 126 8.143 8.720 15.434 979 HH12 ARG 126 2HH1 ARG 126 8.083 8.926 17.152 980 HH21 ARG 126 1HH2 ARG 126 4.909 7.565 17.470 981 HH22 ARG 126 2HH2 ARG 126 6.252 8.272 18.305 982 H HIS 127 H HIS 127 1.811 2.192 15.054 983 HA HIS 127 HA HIS 127 -0.668 2.755 16.500 984 HB2 HIS 127 2HB HIS 127 -1.641 1.019 14.927 985 HB3 HIS 127 1HB HIS 127 -0.957 2.444 14.162 986 HD1 HIS 127 1HD HIS 127 1.955 0.765 15.094 987 HD2 HIS 127 2HD HIS 127 -0.927 -0.020 12.185 988 HE1 HIS 127 1HE HIS 127 3.062 -0.718 13.356 989 HE2 HIS 127 2HE HIS 127 1.313 -1.210 11.594 990 H GLY 128 H GLY 128 1.650 0.105 16.375 991 HA2 GLY 128 2HA GLY 128 1.552 -2.028 17.455 992 HA3 GLY 128 1HA GLY 128 1.453 -0.949 18.846 993 H ASP 129 H ASP 129 0.115 -2.433 20.017 994 HA ASP 129 HA ASP 129 -1.916 -3.427 20.663 995 HB2 ASP 129 2HB ASP 129 -2.935 -1.058 19.067 996 HB3 ASP 129 1HB ASP 129 -3.935 -2.049 20.130 997 H GLY 130 H GLY 130 -0.859 -4.853 18.602 998 HA2 GLY 130 2HA GLY 130 -1.639 -6.522 17.106 999 HA3 GLY 130 1HA GLY 130 -3.263 -5.831 17.241 1000 H ALA 131 H ALA 131 -0.355 -4.042 16.444 1001 HA ALA 131 HA ALA 131 -1.452 -2.590 14.304 1002 HB1 ALA 131 1HB ALA 131 1.256 -3.201 15.317 1003 HB2 ALA 131 2HB ALA 131 0.532 -1.651 14.895 1004 HB3 ALA 131 3HB ALA 131 1.173 -2.701 13.630 1005 H TRP 132 H TRP 132 0.573 -5.550 14.151 1006 HA TRP 132 HA TRP 132 0.496 -5.800 11.325 1007 HB2 TRP 132 2HB TRP 132 1.990 -7.135 12.831 1008 HB3 TRP 132 1HB TRP 132 0.583 -8.084 13.318 1009 HD1 TRP 132 HD TRP 132 -0.564 -9.628 11.467 1010 HE1 TRP 132 1HE TRP 132 0.352 -10.644 9.284 1011 HE3 TRP 132 3HE TRP 132 3.642 -6.767 10.836 1012 HZ2 TRP 132 2HZ TRP 132 2.562 -10.298 7.512 1013 HZ3 TRP 132 3HZ TRP 132 5.125 -7.144 8.892 1014 HH2 TRP 132 HH TRP 132 4.593 -8.904 7.230 1015 H ASN 133 H ASN 133 -1.855 -6.630 13.799 1016 HA ASN 133 HA ASN 133 -3.532 -8.382 12.341 1017 HB2 ASN 133 2HB ASN 133 -3.757 -7.556 14.783 1018 HB3 ASN 133 1HB ASN 133 -4.609 -6.174 14.098 1019 HD21 ASN 133 1HD2 ASN 133 -6.278 -7.532 15.648 1020 HD22 ASN 133 2HD2 ASN 133 -7.291 -8.584 14.783 1021 H ILE 134 H ILE 134 -3.423 -4.834 12.405 1022 HA ILE 134 HA ILE 134 -5.571 -4.364 10.588 1023 HB ILE 134 HB ILE 134 -3.030 -2.825 11.153 1024 HG12 ILE 134 2HG1 ILE 134 -5.148 -1.331 12.035 1025 HG13 ILE 134 1HG1 ILE 134 -5.739 -2.967 12.330 1026 HG21 ILE 134 1HG2 ILE 134 -3.745 -2.203 8.948 1027 HG22 ILE 134 2HG2 ILE 134 -4.262 -0.925 10.049 1028 HG23 ILE 134 3HG2 ILE 134 -5.428 -2.111 9.463 1029 HD11 ILE 134 1HD1 ILE 134 -3.351 -3.347 13.348 1030 HD12 ILE 134 2HD1 ILE 134 -4.580 -2.530 14.306 1031 HD13 ILE 134 3HD1 ILE 134 -3.335 -1.590 13.485 1032 H HIS 135 H HIS 135 -2.101 -4.882 10.136 1033 HA HIS 135 HA HIS 135 -2.083 -4.712 7.275 1034 HB2 HIS 135 2HB HIS 135 0.009 -4.559 8.482 1035 HB3 HIS 135 1HB HIS 135 -0.256 -6.138 9.225 1036 HD1 HIS 135 1HD HIS 135 -1.342 -6.199 5.785 1037 HD2 HIS 135 2HD HIS 135 2.296 -6.714 7.746 1038 HE1 HIS 135 1HE HIS 135 0.182 -7.357 4.135 1039 HE2 HIS 135 2HE HIS 135 2.416 -7.671 5.316 1040 H LYS 136 H LYS 136 -2.747 -7.335 9.545 1041 HA LYS 136 HA LYS 136 -2.594 -9.539 7.807 1042 HB2 LYS 136 2HB LYS 136 -3.137 -9.652 10.262 1043 HB3 LYS 136 1HB LYS 136 -4.758 -9.101 9.871 1044 HG2 LYS 136 2HG LYS 136 -5.043 -11.045 8.375 1045 HG3 LYS 136 1HG LYS 136 -3.445 -11.615 8.842 1046 HD2 LYS 136 2HD LYS 136 -4.215 -11.649 11.228 1047 HD3 LYS 136 1HD LYS 136 -5.837 -11.249 10.663 1048 HE2 LYS 136 2HE LYS 136 -5.994 -13.297 9.411 1049 HE3 LYS 136 1HE LYS 136 -4.289 -13.658 9.679 1050 HZ1 LYS 136 1HZ LYS 136 -5.681 -13.219 12.128 1051 HZ2 LYS 136 2HZ LYS 136 -4.738 -14.547 11.645 1052 HZ3 LYS 136 3HZ LYS 136 -6.385 -14.477 11.234 1053 H ALA 137 H ALA 137 -5.118 -7.086 8.149 1054 HA ALA 137 HA ALA 137 -6.981 -8.352 6.352 1055 HB1 ALA 137 1HB ALA 137 -7.942 -6.617 7.606 1056 HB2 ALA 137 2HB ALA 137 -7.722 -5.860 6.029 1057 HB3 ALA 137 3HB ALA 137 -6.575 -5.541 7.327 1058 H LEU 138 H LEU 138 -4.371 -5.974 5.903 1059 HA LEU 138 HA LEU 138 -4.771 -5.676 3.067 1060 HB2 LEU 138 2HB LEU 138 -2.261 -5.275 4.720 1061 HB3 LEU 138 1HB LEU 138 -2.496 -4.711 3.070 1062 HG LEU 138 HG LEU 138 -4.148 -3.882 5.473 1063 HD11 LEU 138 1HD1 LEU 138 -2.056 -2.439 3.818 1064 HD12 LEU 138 2HD1 LEU 138 -1.943 -2.863 5.526 1065 HD13 LEU 138 3HD1 LEU 138 -3.105 -1.647 4.993 1066 HD21 LEU 138 1HD2 LEU 138 -5.654 -3.664 3.717 1067 HD22 LEU 138 2HD2 LEU 138 -4.381 -3.434 2.518 1068 HD23 LEU 138 3HD2 LEU 138 -4.822 -2.113 3.601 1069 H ASP 139 H ASP 139 -3.371 -8.142 5.017 1070 HA ASP 139 HA ASP 139 -2.400 -10.180 4.501 1071 HB2 ASP 139 2HB ASP 139 -3.704 -9.500 1.884 1072 HB3 ASP 139 1HB ASP 139 -2.759 -10.969 2.086 1073 H GLY 140 H GLY 140 -0.263 -10.088 4.685 1074 HA2 GLY 140 2HA GLY 140 1.324 -9.061 2.369 1075 HA3 GLY 140 1HA GLY 140 1.851 -8.854 4.037 1076 HA PRO 141 HA PRO 141 2.015 -13.642 2.685 1077 HB2 PRO 141 2HB PRO 141 3.217 -12.988 0.035 1078 HB3 PRO 141 1HB PRO 141 2.117 -14.306 0.480 1079 HG2 PRO 141 2HG PRO 141 1.264 -12.192 -0.888 1080 HG3 PRO 141 1HG PRO 141 0.252 -12.980 0.334 1081 HD2 PRO 141 2HD PRO 141 1.711 -10.376 0.495 1082 HD3 PRO 141 1HD PRO 141 0.180 -10.864 1.258 1083 H SER 142 H SER 142 3.954 -14.780 3.075 1084 HA SER 142 HA SER 142 6.274 -13.092 3.684 1085 HB2 SER 142 2HB SER 142 5.224 -15.609 4.586 1086 HB3 SER 142 1HB SER 142 6.898 -15.828 4.080 1087 HG SER 142 HG SER 142 5.843 -13.987 5.961 1088 HA PRO 143 HA PRO 143 8.338 -15.896 0.428 1089 HB2 PRO 143 2HB PRO 143 6.826 -17.613 -1.047 1090 HB3 PRO 143 1HB PRO 143 7.508 -18.040 0.535 1091 HG2 PRO 143 2HG PRO 143 4.734 -17.303 -0.193 1092 HG3 PRO 143 1HG PRO 143 5.321 -18.425 1.044 1093 HD2 PRO 143 2HD PRO 143 4.419 -15.826 1.525 1094 HD3 PRO 143 1HD PRO 143 5.415 -16.786 2.638 1095 H GLY 144 H GLY 144 5.166 -15.870 -1.235 1096 HA2 GLY 144 2HA GLY 144 6.203 -14.665 -3.601 1097 HA3 GLY 144 1HA GLY 144 4.490 -14.709 -3.165 1098 H GLU 145 H GLU 145 4.784 -13.305 -0.682 1099 HA GLU 145 HA GLU 145 4.666 -11.109 0.105 1100 HB2 GLU 145 2HB GLU 145 7.019 -10.793 -1.755 1101 HB3 GLU 145 1HB GLU 145 6.552 -9.651 -0.507 1102 HG2 GLU 145 2HG GLU 145 6.769 -11.551 1.161 1103 HG3 GLU 145 1HG GLU 145 7.526 -12.481 -0.136 1104 H THR 146 H THR 146 4.725 -8.685 -0.789 1105 HA THR 146 HA THR 146 2.495 -8.366 -2.518 1106 HB THR 146 HB THR 146 4.672 -6.318 -2.111 1107 HG1 THR 146 1HG THR 146 4.136 -6.226 -0.105 1108 HG21 THR 146 1HG2 THR 146 2.968 -4.719 -2.502 1109 HG22 THR 146 2HG2 THR 146 1.690 -5.915 -2.289 1110 HG23 THR 146 3HG2 THR 146 2.711 -5.964 -3.726 1111 H LEU 147 H LEU 147 5.961 -8.257 -3.171 1112 HA LEU 147 HA LEU 147 5.868 -7.286 -5.817 1113 HB2 LEU 147 2HB LEU 147 7.819 -9.322 -4.708 1114 HB3 LEU 147 1HB LEU 147 8.098 -8.199 -6.040 1115 HG LEU 147 HG LEU 147 7.234 -6.590 -3.911 1116 HD11 LEU 147 1HD1 LEU 147 7.679 -8.560 -2.432 1117 HD12 LEU 147 2HD1 LEU 147 8.699 -7.169 -2.064 1118 HD13 LEU 147 3HD1 LEU 147 9.359 -8.532 -2.968 1119 HD21 LEU 147 1HD2 LEU 147 8.944 -6.052 -5.632 1120 HD22 LEU 147 2HD2 LEU 147 10.060 -7.167 -4.848 1121 HD23 LEU 147 3HD2 LEU 147 9.530 -5.713 -4.002 1122 H ALA 148 H ALA 148 5.275 -10.543 -4.592 1123 HA ALA 148 HA ALA 148 5.490 -11.865 -7.129 1124 HB1 ALA 148 1HB ALA 148 3.959 -13.584 -5.975 1125 HB2 ALA 148 2HB ALA 148 4.102 -12.552 -4.554 1126 HB3 ALA 148 3HB ALA 148 5.544 -13.284 -5.262 1127 H ARG 149 H ARG 149 2.568 -10.766 -5.370 1128 HA ARG 149 HA ARG 149 0.851 -11.575 -7.533 1129 HB2 ARG 149 2HB ARG 149 -0.777 -9.968 -6.198 1130 HB3 ARG 149 1HB ARG 149 -0.309 -11.538 -5.548 1131 HG2 ARG 149 2HG ARG 149 1.011 -10.621 -3.917 1132 HG3 ARG 149 1HG ARG 149 1.514 -9.276 -4.939 1133 HD2 ARG 149 2HD ARG 149 -0.557 -8.119 -4.589 1134 HD3 ARG 149 1HD ARG 149 -1.279 -9.526 -3.806 1135 HE ARG 149 HE ARG 149 0.874 -8.995 -2.193 1136 HH11 ARG 149 1HH1 ARG 149 0.832 -7.531 -0.470 1137 HH12 ARG 149 2HH1 ARG 149 -0.294 -6.216 -0.495 1138 HH21 ARG 149 1HH2 ARG 149 -1.664 -7.102 -3.555 1139 HH22 ARG 149 2HH2 ARG 149 -1.707 -5.973 -2.242 1140 H PHE 150 H PHE 150 1.705 -8.259 -6.406 1141 HA PHE 150 HA PHE 150 0.364 -7.090 -8.695 1142 HB2 PHE 150 2HB PHE 150 0.474 -5.219 -7.486 1143 HB3 PHE 150 1HB PHE 150 1.270 -6.158 -6.222 1144 HD1 PHE 150 1HD PHE 150 1.567 -3.416 -8.436 1145 HD2 PHE 150 2HD PHE 150 3.844 -6.535 -6.569 1146 HE1 PHE 150 1HE PHE 150 3.647 -2.120 -8.815 1147 HE2 PHE 150 2HE PHE 150 5.913 -5.256 -6.951 1148 HZ PHE 150 HZ PHE 150 5.822 -3.036 -8.071 1149 H ALA 151 H ALA 151 3.801 -7.728 -7.966 1150 HA ALA 151 HA ALA 151 4.718 -6.250 -10.266 1151 HB1 ALA 151 1HB ALA 151 5.984 -7.230 -8.100 1152 HB2 ALA 151 2HB ALA 151 6.825 -6.794 -9.585 1153 HB3 ALA 151 3HB ALA 151 6.404 -8.476 -9.277 1154 H ASN 152 H ASN 152 4.128 -9.725 -9.737 1155 HA ASN 152 HA ASN 152 5.049 -10.552 -12.317 1156 HB2 ASN 152 2HB ASN 152 4.227 -12.652 -11.789 1157 HB3 ASN 152 1HB ASN 152 4.371 -11.947 -10.180 1158 HD21 ASN 152 1HD2 ASN 152 2.248 -10.666 -9.501 1159 HD22 ASN 152 2HD2 ASN 152 0.778 -11.434 -9.884 1160 H VAL 153 H VAL 153 1.795 -9.628 -11.200 1161 HA VAL 153 HA VAL 153 0.515 -10.186 -13.708 1162 HB VAL 153 HB VAL 153 -1.281 -8.660 -12.824 1163 HG11 VAL 153 1HG1 VAL 153 -0.234 -11.119 -11.624 1164 HG12 VAL 153 2HG1 VAL 153 -1.889 -10.710 -12.077 1165 HG13 VAL 153 3HG1 VAL 153 -1.247 -10.189 -10.519 1166 HG21 VAL 153 1HG2 VAL 153 -0.808 -8.245 -10.241 1167 HG22 VAL 153 2HG2 VAL 153 -0.328 -7.061 -11.456 1168 HG23 VAL 153 3HG2 VAL 153 0.857 -8.183 -10.799 1169 H ILE 154 H ILE 154 2.067 -7.290 -12.389 1170 HA ILE 154 HA ILE 154 1.265 -5.517 -14.483 1171 HB ILE 154 HB ILE 154 3.576 -5.528 -12.562 1172 HG12 ILE 154 2HG1 ILE 154 1.216 -3.661 -12.864 1173 HG13 ILE 154 1HG1 ILE 154 1.254 -5.025 -11.751 1174 HG21 ILE 154 1HG2 ILE 154 2.959 -3.645 -14.826 1175 HG22 ILE 154 2HG2 ILE 154 4.494 -4.412 -14.428 1176 HG23 ILE 154 3HG2 ILE 154 3.866 -3.118 -13.411 1177 HD11 ILE 154 1HD1 ILE 154 3.201 -4.080 -10.609 1178 HD12 ILE 154 2HD1 ILE 154 1.895 -2.893 -10.637 1179 HD13 ILE 154 3HD1 ILE 154 3.250 -2.742 -11.757 1180 HBC 969 201 HBC PDM 155 7.211 -9.967 2.508 1181 HBD 969 201 HBD PDM 155 5.781 -9.653 1.497 1182 HBE 969 201 HBE PDM 155 5.854 -9.015 3.158 1183 HBA 969 201 HBA PDM 155 7.477 -7.385 2.584 1184 HBB 969 201 HBB PDM 155 7.904 -8.212 1.069 1185 HA0 969 201 0HA PDM 155 4.032 -6.506 1.436 1186 HAY 969 201 HAY PDM 155 4.753 -7.592 2.652 1187 HAZ 969 201 HAZ PDM 155 4.202 -8.241 1.087 1188 HBF 969 201 HBF PDM 155 6.915 -7.956 -0.607 1189 HAQ 969 201 HAQ PDM 155 5.441 -4.121 -4.641 1190 HAL 969 201 HAL PDM 155 7.533 -4.198 -7.014 1191 HAM 969 201 HAM PDM 155 9.289 -2.452 -7.065 1192 HAN 969 201 HAN PDM 155 10.236 -1.595 -4.946 1193 HAE 969 201 HAE PDM 155 10.494 -1.731 -0.145 1194 HAS 969 201 HAS PDM 155 10.050 -3.475 2.891 1195 HAT 969 201 HAT PDM 155 9.319 -1.852 2.820 1196 HAU 969 201 HAU PDM 155 10.874 -2.162 2.014 1197 HAV 969 201 HAV PDM 155 6.152 -5.554 3.241 Start of MODEL 5 1 H1 MET 1 1HT MET 1 4.865 -13.252 11.516 2 H2 MET 1 2HT MET 1 5.480 -12.371 10.200 3 H3 MET 1 3HT MET 1 4.216 -13.482 9.967 4 HA MET 1 HA MET 1 3.872 -10.838 10.281 5 HB2 MET 1 2HB MET 1 1.488 -11.625 11.039 6 HB3 MET 1 1HB MET 1 2.077 -12.088 9.442 7 HG2 MET 1 2HG MET 1 2.839 -13.934 11.618 8 HG3 MET 1 1HG MET 1 1.109 -13.856 11.289 9 HE1 MET 1 1HE MET 1 -0.069 -14.692 9.515 10 HE2 MET 1 2HE MET 1 0.505 -15.225 7.937 11 HE3 MET 1 3HE MET 1 0.536 -13.512 8.344 12 HA PRO 2 HA PRO 2 4.796 -11.149 14.877 13 HB2 PRO 2 2HB PRO 2 6.260 -8.647 14.374 14 HB3 PRO 2 1HB PRO 2 6.818 -10.136 15.157 15 HG2 PRO 2 2HG PRO 2 7.659 -9.357 12.716 16 HG3 PRO 2 1HG PRO 2 7.533 -11.056 13.202 17 HD2 PRO 2 2HD PRO 2 5.719 -9.461 11.434 18 HD3 PRO 2 1HD PRO 2 6.162 -11.182 11.345 19 H GLU 3 H GLU 3 3.721 -9.941 16.470 20 HA GLU 3 HA GLU 3 1.553 -8.256 15.660 21 HB2 GLU 3 2HB GLU 3 2.875 -8.603 18.370 22 HB3 GLU 3 1HB GLU 3 1.336 -7.791 18.097 23 HG2 GLU 3 2HG GLU 3 0.432 -9.878 17.099 24 HG3 GLU 3 1HG GLU 3 1.957 -10.687 17.459 25 H GLU 4 H GLU 4 4.877 -7.621 16.545 26 HA GLU 4 HA GLU 4 4.405 -4.710 16.721 27 HB2 GLU 4 2HB GLU 4 5.997 -5.874 18.265 28 HB3 GLU 4 1HB GLU 4 7.004 -6.242 16.866 29 HG2 GLU 4 2HG GLU 4 7.168 -3.805 16.378 30 HG3 GLU 4 1HG GLU 4 6.251 -3.477 17.851 31 H ILE 5 H ILE 5 5.075 -3.250 15.145 32 HA ILE 5 HA ILE 5 6.133 -4.449 12.618 33 HB ILE 5 HB ILE 5 4.786 -1.846 12.414 34 HG12 ILE 5 2HG1 ILE 5 3.400 -2.956 14.167 35 HG13 ILE 5 1HG1 ILE 5 2.535 -2.684 12.665 36 HG21 ILE 5 1HG2 ILE 5 3.702 -3.029 10.515 37 HG22 ILE 5 2HG2 ILE 5 4.551 -4.497 10.994 38 HG23 ILE 5 3HG2 ILE 5 5.464 -3.087 10.454 39 HD11 ILE 5 1HD1 ILE 5 2.609 -5.077 13.938 40 HD12 ILE 5 2HD1 ILE 5 3.975 -5.250 12.837 41 HD13 ILE 5 3HD1 ILE 5 2.370 -4.895 12.201 42 HA PRO 6 HA PRO 6 9.273 -1.382 13.958 43 HB2 PRO 6 2HB PRO 6 11.466 -2.853 13.279 44 HB3 PRO 6 1HB PRO 6 10.606 -3.060 14.818 45 HG2 PRO 6 2HG PRO 6 10.584 -4.757 12.399 46 HG3 PRO 6 1HG PRO 6 10.376 -5.203 14.098 47 HD2 PRO 6 2HD PRO 6 8.312 -4.911 12.203 48 HD3 PRO 6 1HD PRO 6 8.104 -5.015 13.965 49 H ASP 7 H ASP 7 11.075 -0.343 12.631 50 HA ASP 7 HA ASP 7 10.126 0.279 10.005 51 HB2 ASP 7 2HB ASP 7 12.291 1.525 9.817 52 HB3 ASP 7 1HB ASP 7 11.391 1.908 11.285 53 H VAL 8 H VAL 8 10.475 -0.759 8.126 54 HA VAL 8 HA VAL 8 12.949 -2.367 7.790 55 HB VAL 8 HB VAL 8 11.201 -3.987 8.424 56 HG11 VAL 8 1HG1 VAL 8 9.708 -2.747 6.099 57 HG12 VAL 8 2HG1 VAL 8 9.179 -2.884 7.773 58 HG13 VAL 8 3HG1 VAL 8 9.302 -4.324 6.768 59 HG21 VAL 8 1HG2 VAL 8 11.576 -4.274 5.451 60 HG22 VAL 8 2HG2 VAL 8 11.654 -5.515 6.701 61 HG23 VAL 8 3HG2 VAL 8 12.966 -4.350 6.532 62 H ARG 9 H ARG 9 13.775 -2.255 5.683 63 HA ARG 9 HA ARG 9 12.135 -0.685 3.726 64 HB2 ARG 9 2HB ARG 9 13.967 0.676 4.710 65 HB3 ARG 9 1HB ARG 9 15.128 -0.524 4.137 66 HG2 ARG 9 2HG ARG 9 14.362 -0.134 1.809 67 HG3 ARG 9 1HG ARG 9 13.255 1.107 2.397 68 HD2 ARG 9 2HD ARG 9 16.270 1.150 2.730 69 HD3 ARG 9 1HD ARG 9 15.360 2.102 1.555 70 HE ARG 9 HE ARG 9 14.355 2.580 4.209 71 HH11 ARG 9 1HH1 ARG 9 14.892 4.549 5.179 72 HH12 ARG 9 2HH1 ARG 9 16.225 5.468 4.562 73 HH21 ARG 9 1HH2 ARG 9 16.988 3.183 2.068 74 HH22 ARG 9 2HH2 ARG 9 17.412 4.694 2.801 75 H LYS 10 H LYS 10 11.914 -1.634 1.772 76 HA LYS 10 HA LYS 10 13.948 -3.625 0.905 77 HB2 LYS 10 2HB LYS 10 10.949 -4.083 0.828 78 HB3 LYS 10 1HB LYS 10 12.167 -5.158 0.143 79 HG2 LYS 10 2HG LYS 10 13.175 -5.396 2.416 80 HG3 LYS 10 1HG LYS 10 11.851 -4.429 3.069 81 HD2 LYS 10 2HD LYS 10 10.235 -6.094 2.144 82 HD3 LYS 10 1HD LYS 10 11.599 -7.086 1.630 83 HE2 LYS 10 2HE LYS 10 12.352 -6.858 4.137 84 HE3 LYS 10 1HE LYS 10 10.653 -6.470 4.413 85 HZ1 LYS 10 1HZ LYS 10 9.981 -8.544 3.820 86 HZ2 LYS 10 2HZ LYS 10 11.514 -8.933 4.441 87 HZ3 LYS 10 3HZ LYS 10 11.282 -8.801 2.763 88 H SER 11 H SER 11 13.911 -3.934 -1.460 89 HA SER 11 HA SER 11 12.260 -2.061 -3.011 90 HB2 SER 11 2HB SER 11 14.139 -0.907 -4.011 91 HB3 SER 11 1HB SER 11 14.208 -0.725 -2.258 92 HG SER 11 HG SER 11 16.180 -1.437 -3.558 93 H VAL 12 H VAL 12 12.192 -2.583 -5.237 94 HA VAL 12 HA VAL 12 13.879 -4.756 -6.260 95 HB VAL 12 HB VAL 12 10.944 -5.125 -5.718 96 HG11 VAL 12 1HG1 VAL 12 11.292 -7.296 -7.038 97 HG12 VAL 12 2HG1 VAL 12 12.750 -6.540 -7.681 98 HG13 VAL 12 3HG1 VAL 12 11.172 -5.815 -7.987 99 HG21 VAL 12 1HG2 VAL 12 13.483 -6.602 -5.012 100 HG22 VAL 12 2HG2 VAL 12 11.897 -7.355 -4.866 101 HG23 VAL 12 3HG2 VAL 12 12.282 -5.922 -3.914 102 H VAL 13 H VAL 13 13.588 -5.068 -8.563 103 HA VAL 13 HA VAL 13 12.372 -2.676 -9.849 104 HB VAL 13 HB VAL 13 14.410 -4.633 -10.948 105 HG11 VAL 13 1HG1 VAL 13 13.456 -1.945 -11.991 106 HG12 VAL 13 2HG1 VAL 13 12.978 -3.508 -12.654 107 HG13 VAL 13 3HG1 VAL 13 14.661 -2.988 -12.747 108 HG21 VAL 13 1HG2 VAL 13 14.862 -2.838 -8.977 109 HG22 VAL 13 2HG2 VAL 13 15.063 -1.789 -10.380 110 HG23 VAL 13 3HG2 VAL 13 16.066 -3.228 -10.205 111 H VAL 14 H VAL 14 10.714 -2.931 -11.271 112 HA VAL 14 HA VAL 14 9.940 -5.722 -12.016 113 HB VAL 14 HB VAL 14 8.407 -4.919 -10.291 114 HG11 VAL 14 1HG1 VAL 14 8.096 -2.529 -12.135 115 HG12 VAL 14 2HG1 VAL 14 8.765 -2.524 -10.503 116 HG13 VAL 14 3HG1 VAL 14 7.051 -2.856 -10.753 117 HG21 VAL 14 1HG2 VAL 14 7.486 -6.195 -12.248 118 HG22 VAL 14 2HG2 VAL 14 7.108 -4.658 -13.025 119 HG23 VAL 14 3HG2 VAL 14 6.308 -5.104 -11.521 120 H ALA 15 H ALA 15 8.763 -5.862 -14.071 121 HA ALA 15 HA ALA 15 9.811 -4.006 -16.043 122 HB1 ALA 15 1HB ALA 15 8.533 -5.350 -17.661 123 HB2 ALA 15 2HB ALA 15 7.693 -6.156 -16.336 124 HB3 ALA 15 3HB ALA 15 9.425 -6.403 -16.562 125 H ALA 16 H ALA 16 8.932 -1.927 -15.567 126 HA ALA 16 HA ALA 16 6.284 -1.395 -16.568 127 HB1 ALA 16 1HB ALA 16 5.960 -2.503 -14.206 128 HB2 ALA 16 2HB ALA 16 5.043 -1.051 -14.607 129 HB3 ALA 16 3HB ALA 16 6.488 -0.934 -13.600 130 H SER 17 H SER 17 5.753 0.941 -16.291 131 HA SER 17 HA SER 17 8.236 2.545 -15.999 132 HB2 SER 17 2HB SER 17 7.085 4.264 -17.260 133 HB3 SER 17 1HB SER 17 6.848 2.739 -18.109 134 HG SER 17 HG SER 17 4.795 3.016 -17.820 135 H VAL 18 H VAL 18 8.149 4.454 -14.601 136 HA VAL 18 HA VAL 18 6.824 4.035 -12.139 137 HB VAL 18 HB VAL 18 7.567 6.232 -11.534 138 HG11 VAL 18 1HG1 VAL 18 9.214 4.295 -12.570 139 HG12 VAL 18 2HG1 VAL 18 9.781 5.745 -11.740 140 HG13 VAL 18 3HG1 VAL 18 9.700 5.712 -13.497 141 HG21 VAL 18 1HG2 VAL 18 6.668 7.526 -13.372 142 HG22 VAL 18 2HG2 VAL 18 7.717 6.701 -14.525 143 HG23 VAL 18 3HG2 VAL 18 8.410 7.798 -13.329 144 H GLU 19 H GLU 19 5.865 5.992 -14.945 145 HA GLU 19 HA GLU 19 3.527 7.128 -13.765 146 HB2 GLU 19 2HB GLU 19 4.157 6.413 -16.634 147 HB3 GLU 19 1HB GLU 19 2.762 7.360 -16.141 148 HG2 GLU 19 2HG GLU 19 4.284 9.018 -15.087 149 HG3 GLU 19 1HG GLU 19 5.666 8.084 -15.664 150 H HIS 20 H HIS 20 4.116 4.118 -15.523 151 HA HIS 20 HA HIS 20 1.390 3.201 -15.525 152 HB2 HIS 20 2HB HIS 20 2.922 2.140 -17.037 153 HB3 HIS 20 1HB HIS 20 4.029 1.733 -15.722 154 HD1 HIS 20 1HD HIS 20 1.073 0.504 -17.525 155 HD2 HIS 20 2HD HIS 20 2.880 -0.254 -13.833 156 HE1 HIS 20 1HE HIS 20 0.063 -1.643 -16.649 157 HE2 HIS 20 2HE HIS 20 1.172 -2.128 -14.430 158 H CYS 21 H CYS 21 4.112 2.740 -13.318 159 HA CYS 21 HA CYS 21 3.079 0.793 -11.609 160 HB2 CYS 21 2HB CYS 21 4.642 3.285 -10.873 161 HB3 CYS 21 1HB CYS 21 4.460 1.864 -9.850 162 HG CYS 21 HG CYS 21 5.597 1.156 -12.588 163 H PHE 22 H PHE 22 2.467 4.292 -11.590 164 HA PHE 22 HA PHE 22 0.608 3.981 -9.359 165 HB2 PHE 22 2HB PHE 22 1.906 6.212 -10.683 166 HB3 PHE 22 1HB PHE 22 0.191 6.528 -10.380 167 HD1 PHE 22 1HD PHE 22 -0.582 6.993 -8.192 168 HD2 PHE 22 2HD PHE 22 3.290 5.228 -8.772 169 HE1 PHE 22 1HE PHE 22 -0.129 7.189 -5.760 170 HE2 PHE 22 2HE PHE 22 3.745 5.430 -6.350 171 HZ PHE 22 HZ PHE 22 2.042 6.403 -4.849 172 H GLU 23 H GLU 23 0.421 4.030 -12.830 173 HA GLU 23 HA GLU 23 -2.327 4.737 -13.104 174 HB2 GLU 23 2HB GLU 23 -0.817 4.485 -15.045 175 HB3 GLU 23 1HB GLU 23 -0.709 2.755 -14.723 176 HG2 GLU 23 2HG GLU 23 -3.159 2.552 -15.033 177 HG3 GLU 23 1HG GLU 23 -3.238 4.275 -15.415 178 H VAL 24 H VAL 24 -0.700 1.692 -12.372 179 HA VAL 24 HA VAL 24 -3.071 0.070 -12.360 180 HB VAL 24 HB VAL 24 -0.388 -0.261 -10.986 181 HG11 VAL 24 1HG1 VAL 24 -2.696 -2.180 -11.363 182 HG12 VAL 24 2HG1 VAL 24 -2.020 -1.616 -9.836 183 HG13 VAL 24 3HG1 VAL 24 -1.075 -2.674 -10.880 184 HG21 VAL 24 1HG2 VAL 24 -1.261 -1.927 -13.293 185 HG22 VAL 24 2HG2 VAL 24 0.337 -1.292 -12.901 186 HG23 VAL 24 3HG2 VAL 24 -0.868 -0.243 -13.645 187 H PHE 25 H PHE 25 -1.281 1.827 -9.845 188 HA PHE 25 HA PHE 25 -2.759 0.895 -7.607 189 HB2 PHE 25 2HB PHE 25 -1.180 3.390 -8.146 190 HB3 PHE 25 1HB PHE 25 -1.999 3.151 -6.612 191 HD1 PHE 25 1HD PHE 25 0.195 3.210 -5.480 192 HD2 PHE 25 2HD PHE 25 -0.745 0.166 -8.370 193 HE1 PHE 25 1HE PHE 25 2.081 1.837 -4.669 194 HE2 PHE 25 2HE PHE 25 1.130 -1.189 -7.556 195 HZ PHE 25 HZ PHE 25 2.549 -0.367 -5.709 196 H THR 26 H THR 26 -3.298 3.797 -9.615 197 HA THR 26 HA THR 26 -5.723 4.360 -8.045 198 HB THR 26 HB THR 26 -5.887 6.338 -9.625 199 HG1 THR 26 1HG THR 26 -4.485 6.508 -11.174 200 HG21 THR 26 1HG2 THR 26 -3.527 7.216 -8.674 201 HG22 THR 26 2HG2 THR 26 -3.708 5.769 -7.683 202 HG23 THR 26 3HG2 THR 26 -4.949 7.027 -7.645 203 H SER 27 H SER 27 -5.026 2.401 -10.685 204 HA SER 27 HA SER 27 -7.688 2.865 -11.922 205 HB2 SER 27 2HB SER 27 -6.849 1.503 -13.763 206 HB3 SER 27 1HB SER 27 -5.717 2.799 -13.412 207 HG SER 27 HG SER 27 -4.983 0.870 -11.867 208 H ARG 28 H ARG 28 -5.688 0.103 -10.761 209 HA ARG 28 HA ARG 28 -8.131 -1.185 -9.736 210 HB2 ARG 28 2HB ARG 28 -7.194 -3.313 -11.141 211 HB3 ARG 28 1HB ARG 28 -8.469 -2.248 -11.725 212 HG2 ARG 28 2HG ARG 28 -6.760 -2.542 -13.450 213 HG3 ARG 28 1HG ARG 28 -6.754 -0.875 -12.892 214 HD2 ARG 28 2HD ARG 28 -4.796 -1.215 -11.596 215 HD3 ARG 28 1HD ARG 28 -4.929 -2.970 -11.708 216 HE ARG 28 HE ARG 28 -3.735 -1.217 -13.703 217 HH11 ARG 28 1HH1 ARG 28 -2.940 -2.242 -15.554 218 HH12 ARG 28 2HH1 ARG 28 -3.411 -3.873 -15.894 219 HH21 ARG 28 1HH2 ARG 28 -5.419 -4.160 -13.081 220 HH22 ARG 28 2HH2 ARG 28 -4.816 -4.959 -14.494 221 HA PRO 29 HA PRO 29 -4.034 -1.991 -7.533 222 HB2 PRO 29 2HB PRO 29 -5.015 -1.271 -5.049 223 HB3 PRO 29 1HB PRO 29 -4.098 -0.213 -6.133 224 HG2 PRO 29 2HG PRO 29 -7.001 -0.326 -5.618 225 HG3 PRO 29 1HG PRO 29 -5.973 1.041 -6.033 226 HD2 PRO 29 2HD PRO 29 -7.658 -0.161 -7.817 227 HD3 PRO 29 1HD PRO 29 -6.182 0.704 -8.295 228 H ALA 30 H ALA 30 -7.270 -2.560 -6.140 229 HA ALA 30 HA ALA 30 -6.347 -5.011 -4.836 230 HB1 ALA 30 1HB ALA 30 -9.238 -4.633 -4.935 231 HB2 ALA 30 2HB ALA 30 -8.396 -3.184 -4.387 232 HB3 ALA 30 3HB ALA 30 -8.164 -4.709 -3.535 233 H ASP 31 H ASP 31 -8.095 -4.188 -7.763 234 HA ASP 31 HA ASP 31 -9.208 -6.815 -8.180 235 HB2 ASP 31 2HB ASP 31 -8.761 -4.500 -10.061 236 HB3 ASP 31 1HB ASP 31 -9.610 -5.974 -10.514 237 H TRP 32 H TRP 32 -6.036 -5.456 -9.059 238 HA TRP 32 HA TRP 32 -5.479 -7.231 -11.185 239 HB2 TRP 32 2HB TRP 32 -3.280 -6.591 -11.085 240 HB3 TRP 32 1HB TRP 32 -4.010 -5.276 -10.178 241 HD1 TRP 32 HD TRP 32 -2.552 -8.795 -9.280 242 HE1 TRP 32 1HE TRP 32 -1.205 -8.544 -7.108 243 HE3 TRP 32 3HE TRP 32 -3.201 -3.834 -8.434 244 HZ2 TRP 32 2HZ TRP 32 -0.471 -6.492 -5.260 245 HZ3 TRP 32 3HZ TRP 32 -2.153 -2.731 -6.470 246 HH2 TRP 32 HH TRP 32 -0.784 -4.057 -4.882 247 H TRP 33 H TRP 33 -5.615 -7.948 -7.743 248 HA TRP 33 HA TRP 33 -4.045 -10.263 -7.654 249 HB2 TRP 33 2HB TRP 33 -4.966 -9.849 -5.585 250 HB3 TRP 33 1HB TRP 33 -6.528 -9.382 -6.261 251 HD1 TRP 33 HD TRP 33 -8.135 -11.387 -7.109 252 HE1 TRP 33 1HE TRP 33 -8.343 -13.822 -6.285 253 HE3 TRP 33 3HE TRP 33 -3.720 -11.841 -4.590 254 HZ2 TRP 33 2HZ TRP 33 -6.832 -15.712 -4.755 255 HZ3 TRP 33 3HZ TRP 33 -3.128 -13.964 -3.459 256 HH2 TRP 33 HH TRP 33 -4.677 -15.899 -3.539 257 HA PRO 34 HA PRO 34 -6.202 -12.707 -10.740 258 HB2 PRO 34 2HB PRO 34 -4.872 -15.063 -10.421 259 HB3 PRO 34 1HB PRO 34 -4.161 -13.658 -11.239 260 HG2 PRO 34 2HG PRO 34 -3.729 -14.655 -8.469 261 HG3 PRO 34 1HG PRO 34 -2.569 -13.966 -9.617 262 HD2 PRO 34 2HD PRO 34 -3.675 -12.545 -7.532 263 HD3 PRO 34 1HD PRO 34 -3.074 -11.798 -9.029 264 HA PRO 35 HA PRO 35 -9.315 -14.811 -8.319 265 HB2 PRO 35 2HB PRO 35 -10.396 -16.408 -10.292 266 HB3 PRO 35 1HB PRO 35 -10.771 -14.687 -10.086 267 HG2 PRO 35 2HG PRO 35 -8.934 -16.008 -12.008 268 HG3 PRO 35 1HG PRO 35 -9.982 -14.597 -12.229 269 HD2 PRO 35 2HD PRO 35 -7.282 -14.393 -11.842 270 HD3 PRO 35 1HD PRO 35 -8.430 -13.134 -11.338 271 H SER 36 H SER 36 -9.535 -16.778 -7.196 272 HA SER 36 HA SER 36 -8.063 -19.147 -8.198 273 HB2 SER 36 2HB SER 36 -6.780 -19.421 -6.170 274 HB3 SER 36 1HB SER 36 -6.484 -17.792 -6.768 275 HG SER 36 HG SER 36 -7.905 -18.671 -4.536 276 H HIS 37 H HIS 37 -8.586 -21.098 -6.843 277 HA HIS 37 HA HIS 37 -11.375 -21.394 -6.444 278 HB2 HIS 37 2HB HIS 37 -9.766 -23.285 -6.738 279 HB3 HIS 37 1HB HIS 37 -9.166 -22.987 -5.106 280 HD1 HIS 37 1HD HIS 37 -12.541 -23.632 -6.787 281 HD2 HIS 37 2HD HIS 37 -10.551 -24.433 -3.209 282 HE1 HIS 37 1HE HIS 37 -14.101 -25.075 -5.405 283 HE2 HIS 37 2HE HIS 37 -12.901 -25.567 -3.226 284 H VAL 38 H VAL 38 -8.821 -20.380 -4.249 285 HA VAL 38 HA VAL 38 -10.714 -20.310 -1.971 286 HB VAL 38 HB VAL 38 -7.781 -19.544 -2.094 287 HG11 VAL 38 1HG1 VAL 38 -8.022 -18.867 0.039 288 HG12 VAL 38 2HG1 VAL 38 -8.793 -20.393 0.475 289 HG13 VAL 38 3HG1 VAL 38 -9.766 -19.058 -0.143 290 HG21 VAL 38 1HG2 VAL 38 -7.296 -21.742 -1.956 291 HG22 VAL 38 2HG2 VAL 38 -9.001 -22.095 -2.238 292 HG23 VAL 38 3HG2 VAL 38 -8.394 -21.932 -0.589 293 H LEU 39 H LEU 39 -11.494 -18.387 -1.109 294 HA LEU 39 HA LEU 39 -11.720 -16.113 -2.792 295 HB2 LEU 39 2HB LEU 39 -11.963 -16.166 0.232 296 HB3 LEU 39 1HB LEU 39 -12.679 -14.980 -0.861 297 HG LEU 39 HG LEU 39 -13.330 -17.940 -0.739 298 HD11 LEU 39 1HD1 LEU 39 -14.376 -15.609 0.594 299 HD12 LEU 39 2HD1 LEU 39 -14.882 -17.291 0.757 300 HD13 LEU 39 3HD1 LEU 39 -15.606 -16.268 -0.485 301 HD21 LEU 39 1HD2 LEU 39 -13.604 -17.465 -3.004 302 HD22 LEU 39 2HD2 LEU 39 -13.987 -15.769 -2.706 303 HD23 LEU 39 3HD2 LEU 39 -15.190 -17.016 -2.377 304 H VAL 40 H VAL 40 -10.774 -13.985 -2.539 305 HA VAL 40 HA VAL 40 -7.971 -13.925 -2.364 306 HB VAL 40 HB VAL 40 -8.275 -11.411 -2.063 307 HG11 VAL 40 1HG1 VAL 40 -10.196 -11.840 -4.161 308 HG12 VAL 40 2HG1 VAL 40 -8.971 -13.104 -4.226 309 HG13 VAL 40 3HG1 VAL 40 -8.492 -11.408 -4.292 310 HG21 VAL 40 1HG2 VAL 40 -11.230 -11.989 -2.325 311 HG22 VAL 40 2HG2 VAL 40 -10.442 -10.481 -1.866 312 HG23 VAL 40 3HG2 VAL 40 -10.491 -11.831 -0.735 313 H LYS 41 H LYS 41 -6.524 -13.742 -0.662 314 HA LYS 41 HA LYS 41 -7.396 -14.302 2.005 315 HB2 LYS 41 2HB LYS 41 -4.819 -13.042 1.030 316 HB3 LYS 41 1HB LYS 41 -5.082 -13.636 2.667 317 HG2 LYS 41 2HG LYS 41 -5.581 -15.895 1.719 318 HG3 LYS 41 1HG LYS 41 -5.161 -15.277 0.120 319 HD2 LYS 41 2HD LYS 41 -2.903 -14.667 0.991 320 HD3 LYS 41 1HD LYS 41 -3.330 -15.408 2.534 321 HE2 LYS 41 2HE LYS 41 -3.971 -17.297 0.515 322 HE3 LYS 41 1HE LYS 41 -2.360 -16.681 0.145 323 HZ1 LYS 41 1HZ LYS 41 -2.610 -18.638 1.779 324 HZ2 LYS 41 2HZ LYS 41 -3.058 -17.445 2.903 325 HZ3 LYS 41 3HZ LYS 41 -1.531 -17.386 2.161 326 H LYS 42 H LYS 42 -6.754 -11.377 0.218 327 HA LYS 42 HA LYS 42 -7.297 -9.620 2.526 328 HB2 LYS 42 2HB LYS 42 -5.607 -8.991 0.806 329 HB3 LYS 42 1HB LYS 42 -6.872 -9.005 -0.418 330 HG2 LYS 42 2HG LYS 42 -8.053 -7.316 1.278 331 HG3 LYS 42 1HG LYS 42 -6.391 -7.046 1.791 332 HD2 LYS 42 2HD LYS 42 -5.725 -6.434 -0.447 333 HD3 LYS 42 1HD LYS 42 -7.299 -6.906 -1.091 334 HE2 LYS 42 2HE LYS 42 -8.299 -4.991 -0.415 335 HE3 LYS 42 1HE LYS 42 -7.410 -4.947 1.108 336 HZ1 LYS 42 1HZ LYS 42 -6.059 -3.450 0.229 337 HZ2 LYS 42 2HZ LYS 42 -6.900 -3.512 -1.245 338 HZ3 LYS 42 3HZ LYS 42 -5.587 -4.553 -0.970 339 H GLU 43 H GLU 43 -9.328 -8.631 2.833 340 HA GLU 43 HA GLU 43 -11.556 -9.699 1.303 341 HB2 GLU 43 2HB GLU 43 -11.454 -7.444 3.319 342 HB3 GLU 43 1HB GLU 43 -12.931 -8.167 2.688 343 HG2 GLU 43 2HG GLU 43 -12.209 -10.369 3.581 344 HG3 GLU 43 1HG GLU 43 -10.775 -9.603 4.266 345 H ARG 44 H ARG 44 -12.107 -8.942 -0.691 346 HA ARG 44 HA ARG 44 -11.615 -6.043 -1.255 347 HB2 ARG 44 2HB ARG 44 -11.259 -8.400 -3.123 348 HB3 ARG 44 1HB ARG 44 -11.172 -6.709 -3.617 349 HG2 ARG 44 2HG ARG 44 -9.347 -6.374 -1.932 350 HG3 ARG 44 1HG ARG 44 -9.366 -8.113 -1.630 351 HD2 ARG 44 2HD ARG 44 -8.789 -6.762 -4.282 352 HD3 ARG 44 1HD ARG 44 -7.617 -7.583 -3.255 353 HE ARG 44 HE ARG 44 -8.537 -9.684 -3.942 354 HH11 ARG 44 1HH1 ARG 44 -9.653 -10.870 -5.507 355 HH12 ARG 44 2HH1 ARG 44 -10.796 -10.069 -6.532 356 HH21 ARG 44 1HH2 ARG 44 -10.287 -6.947 -5.120 357 HH22 ARG 44 2HH2 ARG 44 -11.150 -7.853 -6.315 358 H ALA 45 H ALA 45 -13.373 -4.957 -1.929 359 HA ALA 45 HA ALA 45 -15.628 -6.480 -3.149 360 HB1 ALA 45 1HB ALA 45 -15.609 -4.901 -0.659 361 HB2 ALA 45 2HB ALA 45 -16.747 -6.136 -1.197 362 HB3 ALA 45 3HB ALA 45 -16.908 -4.477 -1.774 363 H GLY 46 H GLY 46 -13.957 -3.425 -2.645 364 HA2 GLY 46 2HA GLY 46 -14.417 -2.578 -5.382 365 HA3 GLY 46 1HA GLY 46 -15.370 -1.637 -4.234 366 H LEU 47 H LEU 47 -13.546 -0.135 -5.520 367 HA LEU 47 HA LEU 47 -11.608 0.444 -3.375 368 HB2 LEU 47 2HB LEU 47 -10.095 0.637 -5.777 369 HB3 LEU 47 1HB LEU 47 -9.809 -0.426 -4.401 370 HG LEU 47 HG LEU 47 -11.293 -2.125 -5.378 371 HD11 LEU 47 1HD1 LEU 47 -12.135 0.123 -6.983 372 HD12 LEU 47 2HD1 LEU 47 -12.882 -1.465 -6.833 373 HD13 LEU 47 3HD1 LEU 47 -11.613 -1.197 -8.028 374 HD21 LEU 47 1HD2 LEU 47 -8.789 -1.605 -6.154 375 HD22 LEU 47 2HD2 LEU 47 -9.595 -1.358 -7.701 376 HD23 LEU 47 3HD2 LEU 47 -9.732 -2.909 -6.872 377 H ALA 48 H ALA 48 -11.376 2.610 -3.144 378 HA ALA 48 HA ALA 48 -12.289 4.355 -5.395 379 HB1 ALA 48 1HB ALA 48 -12.955 4.340 -2.602 380 HB2 ALA 48 2HB ALA 48 -13.541 5.432 -3.856 381 HB3 ALA 48 3HB ALA 48 -12.076 5.827 -2.959 382 H PHE 49 H PHE 49 -10.737 5.706 -6.273 383 HA PHE 49 HA PHE 49 -8.280 6.224 -4.676 384 HB2 PHE 49 2HB PHE 49 -8.535 4.574 -7.101 385 HB3 PHE 49 1HB PHE 49 -7.255 5.782 -7.165 386 HD1 PHE 49 1HD PHE 49 -8.628 3.017 -5.070 387 HD2 PHE 49 2HD PHE 49 -5.230 5.461 -6.016 388 HE1 PHE 49 1HE PHE 49 -7.190 1.561 -3.669 389 HE2 PHE 49 2HE PHE 49 -3.792 4.012 -4.625 390 HZ PHE 49 HZ PHE 49 -4.767 2.060 -3.447 391 H GLU 50 H GLU 50 -7.738 8.363 -4.840 392 HA GLU 50 HA GLU 50 -8.385 9.741 -7.402 393 HB2 GLU 50 2HB GLU 50 -8.598 11.731 -5.481 394 HB3 GLU 50 1HB GLU 50 -9.931 10.961 -6.324 395 HG2 GLU 50 2HG GLU 50 -8.738 9.726 -3.839 396 HG3 GLU 50 1HG GLU 50 -10.018 10.935 -3.746 397 HA PRO 51 HA PRO 51 -4.019 10.746 -6.835 398 HB2 PRO 51 2HB PRO 51 -3.579 12.101 -9.103 399 HB3 PRO 51 1HB PRO 51 -3.960 10.365 -9.127 400 HG2 PRO 51 2HG PRO 51 -5.747 12.700 -9.651 401 HG3 PRO 51 1HG PRO 51 -5.608 11.169 -10.534 402 HD2 PRO 51 2HD PRO 51 -7.567 11.673 -8.653 403 HD3 PRO 51 1HD PRO 51 -6.980 10.048 -9.075 404 H PHE 52 H PHE 52 -2.765 12.429 -6.010 405 HA PHE 52 HA PHE 52 -2.721 15.108 -6.451 406 HB2 PHE 52 2HB PHE 52 -4.245 15.959 -4.484 407 HB3 PHE 52 1HB PHE 52 -4.938 15.677 -6.073 408 HD1 PHE 52 1HD PHE 52 -3.959 12.730 -4.097 409 HD2 PHE 52 2HD PHE 52 -7.160 15.459 -4.981 410 HE1 PHE 52 1HE PHE 52 -5.585 11.134 -3.139 411 HE2 PHE 52 2HE PHE 52 -8.777 13.860 -3.997 412 HZ PHE 52 HZ PHE 52 -7.976 11.700 -3.082 413 H VAL 53 H VAL 53 -2.299 16.476 -4.301 414 HA VAL 53 HA VAL 53 -0.221 14.991 -2.840 415 HB VAL 53 HB VAL 53 -1.077 17.888 -2.715 416 HG11 VAL 53 1HG1 VAL 53 0.325 18.116 -0.973 417 HG12 VAL 53 2HG1 VAL 53 1.632 17.388 -1.903 418 HG13 VAL 53 3HG1 VAL 53 0.549 16.370 -0.960 419 HG21 VAL 53 1HG2 VAL 53 1.235 16.527 -4.124 420 HG22 VAL 53 2HG2 VAL 53 0.977 18.270 -4.050 421 HG23 VAL 53 3HG2 VAL 53 -0.173 17.244 -4.906 422 H GLY 54 H GLY 54 -0.333 14.524 -0.603 423 HA2 GLY 54 2HA GLY 54 -1.413 14.157 1.470 424 HA3 GLY 54 1HA GLY 54 -2.364 15.617 1.136 425 H GLY 55 H GLY 55 -2.082 13.007 -1.086 426 HA2 GLY 55 2HA GLY 55 -4.908 12.781 -1.419 427 HA3 GLY 55 1HA GLY 55 -3.692 11.753 -2.165 428 H ARG 56 H ARG 56 -5.923 10.517 -1.531 429 HA ARG 56 HA ARG 56 -5.081 8.728 0.644 430 HB2 ARG 56 2HB ARG 56 -7.683 10.274 0.704 431 HB3 ARG 56 1HB ARG 56 -7.365 8.863 1.711 432 HG2 ARG 56 2HG ARG 56 -5.357 10.056 2.633 433 HG3 ARG 56 1HG ARG 56 -5.843 11.486 1.723 434 HD2 ARG 56 2HD ARG 56 -8.080 11.356 2.893 435 HD3 ARG 56 1HD ARG 56 -7.388 10.109 3.931 436 HE ARG 56 HE ARG 56 -5.574 12.085 4.263 437 HH11 ARG 56 1HH1 ARG 56 -5.763 13.871 5.632 438 HH12 ARG 56 2HH1 ARG 56 -7.335 14.470 6.042 439 HH21 ARG 56 1HH2 ARG 56 -9.024 12.099 4.162 440 HH22 ARG 56 2HH2 ARG 56 -9.179 13.469 5.210 441 H TYR 57 H TYR 57 -5.878 6.657 0.337 442 HA TYR 57 HA TYR 57 -7.746 6.282 -1.964 443 HB2 TYR 57 2HB TYR 57 -5.559 4.362 -1.155 444 HB3 TYR 57 1HB TYR 57 -6.583 4.295 -2.577 445 HD1 TYR 57 1HD TYR 57 -3.391 4.629 -1.976 446 HD2 TYR 57 2HD TYR 57 -6.508 7.120 -3.555 447 HE1 TYR 57 1HE TYR 57 -1.704 5.958 -3.204 448 HE2 TYR 57 2HE TYR 57 -4.821 8.439 -4.786 449 HH TYR 57 HH TYR 57 -2.663 8.778 -5.158 450 H TYR 58 H TYR 58 -9.177 4.415 -1.752 451 HA TYR 58 HA TYR 58 -9.433 3.425 1.062 452 HB2 TYR 58 2HB TYR 58 -11.798 4.227 -0.633 453 HB3 TYR 58 1HB TYR 58 -11.741 3.945 1.111 454 HD1 TYR 58 1HD TYR 58 -10.297 6.116 -1.563 455 HD2 TYR 58 2HD TYR 58 -11.333 5.725 2.583 456 HE1 TYR 58 1HE TYR 58 -9.679 8.470 -1.196 457 HE2 TYR 58 2HE TYR 58 -10.724 8.095 2.955 458 HH TYR 58 HH TYR 58 -10.364 10.301 0.512 459 H GLU 59 H GLU 59 -10.462 1.386 1.257 460 HA GLU 59 HA GLU 59 -10.834 -0.115 -1.309 461 HB2 GLU 59 2HB GLU 59 -9.599 -1.140 1.270 462 HB3 GLU 59 1HB GLU 59 -9.881 -2.094 -0.186 463 HG2 GLU 59 2HG GLU 59 -8.390 -0.574 -1.457 464 HG3 GLU 59 1HG GLU 59 -8.076 0.333 0.023 465 H TRP 60 H TRP 60 -12.521 -1.633 -1.280 466 HA TRP 60 HA TRP 60 -14.451 -1.285 0.973 467 HB2 TRP 60 2HB TRP 60 -14.666 -1.631 -1.932 468 HB3 TRP 60 1HB TRP 60 -15.755 -2.674 -1.028 469 HD1 TRP 60 HD TRP 60 -17.073 -1.180 1.066 470 HE1 TRP 60 1HE TRP 60 -18.304 1.061 0.732 471 HE3 TRP 60 3HE TRP 60 -14.896 0.375 -3.280 472 HZ2 TRP 60 2HZ TRP 60 -18.341 3.241 -1.133 473 HZ3 TRP 60 3HZ TRP 60 -15.540 2.535 -4.311 474 HH2 TRP 60 HH TRP 60 -17.259 3.966 -3.246 475 H ASP 61 H ASP 61 -14.818 -3.047 2.286 476 HA ASP 61 HA ASP 61 -13.680 -5.661 1.371 477 HB2 ASP 61 2HB ASP 61 -14.224 -4.671 4.180 478 HB3 ASP 61 1HB ASP 61 -13.590 -6.263 3.768 479 H ILE 62 H ILE 62 -15.010 -7.446 1.352 480 HA ILE 62 HA ILE 62 -17.765 -7.154 0.970 481 HB ILE 62 HB ILE 62 -17.844 -9.647 1.475 482 HG12 ILE 62 2HG1 ILE 62 -15.559 -9.066 2.913 483 HG13 ILE 62 1HG1 ILE 62 -16.081 -10.682 2.455 484 HG21 ILE 62 1HG2 ILE 62 -17.507 -8.885 -0.784 485 HG22 ILE 62 2HG2 ILE 62 -16.354 -10.186 -0.491 486 HG23 ILE 62 3HG2 ILE 62 -15.817 -8.504 -0.460 487 HD11 ILE 62 1HD1 ILE 62 -14.690 -10.634 0.473 488 HD12 ILE 62 2HD1 ILE 62 -13.696 -10.152 1.844 489 HD13 ILE 62 3HD1 ILE 62 -14.303 -8.931 0.728 490 H ASP 63 H ASP 63 -15.953 -7.587 3.945 491 HA ASP 63 HA ASP 63 -18.513 -7.704 5.472 492 HB2 ASP 63 2HB ASP 63 -15.651 -8.278 6.303 493 HB3 ASP 63 1HB ASP 63 -17.033 -8.322 7.398 494 H GLY 64 H GLY 64 -15.805 -5.696 4.693 495 HA2 GLY 64 2HA GLY 64 -16.639 -3.742 6.788 496 HA3 GLY 64 1HA GLY 64 -15.024 -3.800 6.089 497 H THR 65 H THR 65 -17.491 -1.851 6.129 498 HA THR 65 HA THR 65 -18.309 -1.372 3.456 499 HB THR 65 HB THR 65 -17.893 0.776 5.524 500 HG1 THR 65 1HG THR 65 -19.300 -0.151 6.753 501 HG21 THR 65 1HG2 THR 65 -19.080 0.705 2.989 502 HG22 THR 65 2HG2 THR 65 -19.253 1.979 4.197 503 HG23 THR 65 3HG2 THR 65 -20.428 0.667 4.124 504 H GLU 66 H GLU 66 -17.493 1.503 3.409 505 HA GLU 66 HA GLU 66 -14.898 1.109 2.044 506 HB2 GLU 66 2HB GLU 66 -16.914 2.583 1.211 507 HB3 GLU 66 1HB GLU 66 -16.267 3.764 2.332 508 HG2 GLU 66 2HG GLU 66 -14.041 3.513 1.235 509 HG3 GLU 66 1HG GLU 66 -14.802 2.474 0.032 510 H ILE 67 H ILE 67 -12.983 1.767 2.949 511 HA ILE 67 HA ILE 67 -13.086 3.663 5.226 512 HB ILE 67 HB ILE 67 -11.653 2.213 6.588 513 HG12 ILE 67 2HG1 ILE 67 -12.096 0.252 4.331 514 HG13 ILE 67 1HG1 ILE 67 -10.565 1.010 4.766 515 HG21 ILE 67 1HG2 ILE 67 -14.150 0.807 5.613 516 HG22 ILE 67 2HG2 ILE 67 -14.122 2.113 6.797 517 HG23 ILE 67 3HG2 ILE 67 -13.361 0.569 7.168 518 HD11 ILE 67 1HD1 ILE 67 -10.644 -1.229 5.732 519 HD12 ILE 67 2HD1 ILE 67 -12.200 -0.875 6.486 520 HD13 ILE 67 3HD1 ILE 67 -10.745 -0.037 7.029 521 H VAL 68 H VAL 68 -10.873 4.380 5.863 522 HA VAL 68 HA VAL 68 -9.318 4.971 3.441 523 HB VAL 68 HB VAL 68 -8.622 5.716 6.294 524 HG11 VAL 68 1HG1 VAL 68 -6.892 6.036 4.536 525 HG12 VAL 68 2HG1 VAL 68 -7.451 7.571 5.199 526 HG13 VAL 68 3HG1 VAL 68 -8.027 7.029 3.623 527 HG21 VAL 68 1HG2 VAL 68 -9.817 7.922 5.044 528 HG22 VAL 68 2HG2 VAL 68 -10.516 6.946 6.337 529 HG23 VAL 68 3HG2 VAL 68 -10.873 6.565 4.653 530 H TRP 69 H TRP 69 -7.449 3.928 2.889 531 HA TRP 69 HA TRP 69 -6.510 1.786 4.740 532 HB2 TRP 69 2HB TRP 69 -6.624 0.525 2.876 533 HB3 TRP 69 1HB TRP 69 -7.004 1.943 1.898 534 HD1 TRP 69 HD TRP 69 -4.424 -0.588 2.345 535 HE1 TRP 69 1HE TRP 69 -2.216 0.118 1.238 536 HE3 TRP 69 3HE TRP 69 -5.387 4.351 1.437 537 HZ2 TRP 69 2HZ TRP 69 -0.994 2.435 0.130 538 HZ3 TRP 69 3HZ TRP 69 -3.674 5.781 0.362 539 HH2 TRP 69 HH TRP 69 -1.481 4.829 -0.296 540 H GLY 70 H GLY 70 -5.573 4.784 3.333 541 HA2 GLY 70 2HA GLY 70 -3.074 4.885 4.733 542 HA3 GLY 70 1HA GLY 70 -2.788 4.456 3.045 543 H ARG 71 H ARG 71 -1.655 6.733 3.436 544 HA ARG 71 HA ARG 71 -3.526 8.730 2.310 545 HB2 ARG 71 2HB ARG 71 -3.461 9.268 4.674 546 HB3 ARG 71 1HB ARG 71 -1.709 9.223 4.683 547 HG2 ARG 71 2HG ARG 71 -1.543 11.205 3.382 548 HG3 ARG 71 1HG ARG 71 -3.244 11.129 2.915 549 HD2 ARG 71 2HD ARG 71 -3.895 11.534 5.260 550 HD3 ARG 71 1HD ARG 71 -2.195 11.597 5.722 551 HE ARG 71 HE ARG 71 -3.675 13.698 4.296 552 HH11 ARG 71 1HH1 ARG 71 -2.516 15.615 3.998 553 HH12 ARG 71 2HH1 ARG 71 -0.808 15.634 4.287 554 HH21 ARG 71 1HH2 ARG 71 -0.656 12.288 5.186 555 HH22 ARG 71 2HH2 ARG 71 0.244 13.750 4.961 556 H ILE 72 H ILE 72 -1.970 10.744 1.700 557 HA ILE 72 HA ILE 72 0.515 9.633 0.499 558 HB ILE 72 HB ILE 72 -1.732 11.126 -0.807 559 HG12 ILE 72 2HG1 ILE 72 -0.835 9.588 -2.735 560 HG13 ILE 72 1HG1 ILE 72 -0.028 8.725 -1.427 561 HG21 ILE 72 1HG2 ILE 72 1.183 11.317 -1.583 562 HG22 ILE 72 2HG2 ILE 72 0.077 12.647 -1.233 563 HG23 ILE 72 3HG2 ILE 72 -0.136 11.683 -2.693 564 HD11 ILE 72 1HD1 ILE 72 -2.903 8.876 -2.102 565 HD12 ILE 72 2HD1 ILE 72 -2.538 9.030 -0.384 566 HD13 ILE 72 3HD1 ILE 72 -2.006 7.603 -1.272 567 H LEU 73 H LEU 73 2.091 11.483 -0.053 568 HA LEU 73 HA LEU 73 1.757 13.685 1.941 569 HB2 LEU 73 2HB LEU 73 3.818 11.799 1.718 570 HB3 LEU 73 1HB LEU 73 4.486 13.282 1.044 571 HG LEU 73 HG LEU 73 3.626 14.487 3.097 572 HD11 LEU 73 1HD1 LEU 73 2.889 11.659 3.757 573 HD12 LEU 73 2HD1 LEU 73 2.027 13.155 4.119 574 HD13 LEU 73 3HD1 LEU 73 3.447 12.708 5.061 575 HD21 LEU 73 1HD2 LEU 73 5.507 13.801 4.470 576 HD22 LEU 73 2HD2 LEU 73 6.000 13.722 2.778 577 HD23 LEU 73 3HD2 LEU 73 5.590 12.244 3.647 578 H GLU 74 H GLU 74 3.194 12.910 -1.218 579 HA GLU 74 HA GLU 74 2.263 15.270 -2.515 580 HB2 GLU 74 2HB GLU 74 3.893 16.396 -0.992 581 HB3 GLU 74 1HB GLU 74 5.175 15.378 -1.649 582 HG2 GLU 74 2HG GLU 74 4.714 16.297 -3.910 583 HG3 GLU 74 1HG GLU 74 3.492 17.359 -3.211 584 H TRP 75 H TRP 75 2.977 15.279 -4.760 585 HA TRP 75 HA TRP 75 4.383 12.760 -5.526 586 HB2 TRP 75 2HB TRP 75 3.209 13.034 -7.722 587 HB3 TRP 75 1HB TRP 75 2.106 12.805 -6.363 588 HD1 TRP 75 HD TRP 75 0.654 14.864 -5.579 589 HE1 TRP 75 1HE TRP 75 0.061 17.104 -6.710 590 HE3 TRP 75 3HE TRP 75 4.120 14.905 -9.331 591 HZ2 TRP 75 2HZ TRP 75 0.938 18.701 -8.914 592 HZ3 TRP 75 3HZ TRP 75 4.218 16.797 -10.930 593 HH2 TRP 75 HH TRP 75 2.634 18.692 -10.726 594 H ASP 76 H ASP 76 6.316 12.967 -6.570 595 HA ASP 76 HA ASP 76 7.193 15.697 -7.289 596 HB2 ASP 76 2HB ASP 76 8.560 13.863 -5.944 597 HB3 ASP 76 1HB ASP 76 8.978 13.320 -7.569 598 HA PRO 77 HA PRO 77 5.984 14.913 -11.521 599 HB2 PRO 77 2HB PRO 77 8.111 16.620 -12.512 600 HB3 PRO 77 1HB PRO 77 6.365 16.882 -12.526 601 HG2 PRO 77 2HG PRO 77 8.296 18.087 -10.835 602 HG3 PRO 77 1HG PRO 77 6.545 18.320 -10.842 603 HD2 PRO 77 2HD PRO 77 8.102 17.006 -8.855 604 HD3 PRO 77 1HD PRO 77 6.333 17.125 -8.926 605 HA PRO 78 HA PRO 78 10.462 13.546 -13.114 606 HB2 PRO 78 2HB PRO 78 11.487 12.849 -10.387 607 HB3 PRO 78 1HB PRO 78 12.369 13.437 -11.808 608 HG2 PRO 78 2HG PRO 78 11.810 15.031 -9.744 609 HG3 PRO 78 1HG PRO 78 11.821 15.624 -11.414 610 HD2 PRO 78 2HD PRO 78 9.505 15.108 -9.622 611 HD3 PRO 78 1HD PRO 78 9.659 16.258 -10.962 612 H HIS 79 H HIS 79 10.173 11.773 -10.037 613 HA HIS 79 HA HIS 79 8.285 9.833 -10.896 614 HB2 HIS 79 2HB HIS 79 9.937 7.961 -11.230 615 HB3 HIS 79 1HB HIS 79 10.019 9.185 -12.496 616 HD1 HIS 79 1HD HIS 79 11.530 9.313 -9.003 617 HD2 HIS 79 2HD HIS 79 12.751 9.383 -12.991 618 HE1 HIS 79 1HE HIS 79 14.026 9.733 -8.977 619 HE2 HIS 79 2HE HIS 79 14.782 9.780 -11.401 620 H ARG 80 H ARG 80 8.992 11.463 -8.611 621 HA ARG 80 HA ARG 80 9.517 9.295 -6.621 622 HB2 ARG 80 2HB ARG 80 11.560 10.634 -6.848 623 HB3 ARG 80 1HB ARG 80 10.638 12.113 -6.574 624 HG2 ARG 80 2HG ARG 80 10.068 11.386 -4.321 625 HG3 ARG 80 1HG ARG 80 10.869 9.836 -4.589 626 HD2 ARG 80 2HD ARG 80 12.430 11.207 -3.396 627 HD3 ARG 80 1HD ARG 80 12.994 11.139 -5.063 628 HE ARG 80 HE ARG 80 11.364 13.405 -4.938 629 HH11 ARG 80 1HH1 ARG 80 12.232 15.451 -4.524 630 HH12 ARG 80 2HH1 ARG 80 13.743 15.583 -3.689 631 HH21 ARG 80 1HH2 ARG 80 14.156 12.157 -3.349 632 HH22 ARG 80 2HH2 ARG 80 14.833 13.718 -3.024 633 H LEU 81 H LEU 81 8.415 9.515 -4.634 634 HA LEU 81 HA LEU 81 6.741 11.848 -4.117 635 HB2 LEU 81 2HB LEU 81 4.603 10.588 -4.230 636 HB3 LEU 81 1HB LEU 81 5.380 10.736 -5.807 637 HG LEU 81 HG LEU 81 6.507 8.429 -4.797 638 HD11 LEU 81 1HD1 LEU 81 3.553 8.271 -4.235 639 HD12 LEU 81 2HD1 LEU 81 4.714 8.686 -2.974 640 HD13 LEU 81 3HD1 LEU 81 4.816 7.124 -3.788 641 HD21 LEU 81 1HD2 LEU 81 5.719 8.792 -7.088 642 HD22 LEU 81 2HD2 LEU 81 4.045 8.783 -6.533 643 HD23 LEU 81 3HD2 LEU 81 5.013 7.313 -6.441 644 H ALA 82 H ALA 82 6.054 11.904 -1.987 645 HA ALA 82 HA ALA 82 6.929 9.623 -0.260 646 HB1 ALA 82 1HB ALA 82 8.013 11.608 0.493 647 HB2 ALA 82 2HB ALA 82 6.638 11.422 1.581 648 HB3 ALA 82 3HB ALA 82 6.563 12.583 0.256 649 H MET 83 H MET 83 5.334 8.924 1.423 650 HA MET 83 HA MET 83 2.620 10.021 1.019 651 HB2 MET 83 2HB MET 83 2.005 7.374 1.057 652 HB3 MET 83 1HB MET 83 2.152 8.331 -0.416 653 HG2 MET 83 2HG MET 83 4.530 7.684 -0.600 654 HG3 MET 83 1HG MET 83 4.379 6.720 0.870 655 HE1 MET 83 1HE MET 83 2.200 3.878 0.176 656 HE2 MET 83 2HE MET 83 1.217 5.337 0.263 657 HE3 MET 83 3HE MET 83 2.644 5.182 1.285 658 H THR 84 H THR 84 1.241 9.825 2.766 659 HA THR 84 HA THR 84 2.457 8.643 5.232 660 HB THR 84 HB THR 84 0.175 10.041 6.005 661 HG1 THR 84 1HG THR 84 0.423 10.832 3.694 662 HG21 THR 84 1HG2 THR 84 2.076 10.265 7.338 663 HG22 THR 84 2HG2 THR 84 1.970 11.856 6.587 664 HG23 THR 84 3HG2 THR 84 3.114 10.665 5.970 665 H TRP 85 H TRP 85 0.937 7.342 6.594 666 HA TRP 85 HA TRP 85 -1.131 6.038 4.873 667 HB2 TRP 85 2HB TRP 85 0.765 5.025 6.930 668 HB3 TRP 85 1HB TRP 85 -0.816 4.246 6.832 669 HD1 TRP 85 HD TRP 85 0.928 5.674 3.748 670 HE1 TRP 85 1HE TRP 85 1.502 3.738 2.148 671 HE3 TRP 85 3HE TRP 85 -0.319 1.696 6.697 672 HZ2 TRP 85 2HZ TRP 85 1.441 0.878 2.123 673 HZ3 TRP 85 3HZ TRP 85 -0.052 -0.621 5.860 674 HH2 TRP 85 HH TRP 85 0.827 -1.034 3.579 675 H ARG 86 H ARG 86 -3.243 6.481 5.428 676 HA ARG 86 HA ARG 86 -3.744 7.202 8.301 677 HB2 ARG 86 2HB ARG 86 -4.226 9.056 6.770 678 HB3 ARG 86 1HB ARG 86 -5.299 8.020 5.829 679 HG2 ARG 86 2HG ARG 86 -6.739 7.719 7.816 680 HG3 ARG 86 1HG ARG 86 -5.664 8.761 8.748 681 HD2 ARG 86 2HD ARG 86 -6.104 10.609 7.142 682 HD3 ARG 86 1HD ARG 86 -7.243 9.568 6.288 683 HE ARG 86 HE ARG 86 -7.818 9.864 9.144 684 HH11 ARG 86 1HH1 ARG 86 -9.761 10.920 9.612 685 HH12 ARG 86 2HH1 ARG 86 -10.581 11.792 8.360 686 HH21 ARG 86 1HH2 ARG 86 -8.221 11.049 5.931 687 HH22 ARG 86 2HH2 ARG 86 -9.710 11.863 6.276 688 H ILE 87 H ILE 87 -4.414 5.318 9.234 689 HA ILE 87 HA ILE 87 -6.840 4.050 8.089 690 HB ILE 87 HB ILE 87 -4.749 2.751 7.399 691 HG12 ILE 87 2HG1 ILE 87 -6.604 1.190 9.212 692 HG13 ILE 87 1HG1 ILE 87 -7.153 1.852 7.671 693 HG21 ILE 87 1HG2 ILE 87 -3.948 3.164 9.954 694 HG22 ILE 87 2HG2 ILE 87 -3.371 1.818 8.972 695 HG23 ILE 87 3HG2 ILE 87 -4.685 1.571 10.123 696 HD11 ILE 87 1HD1 ILE 87 -4.619 0.263 7.706 697 HD12 ILE 87 2HD1 ILE 87 -5.819 0.428 6.426 698 HD13 ILE 87 3HD1 ILE 87 -6.151 -0.602 7.816 699 H ASP 88 H ASP 88 -7.811 2.507 9.760 700 HA ASP 88 HA ASP 88 -7.479 3.727 12.467 701 HB2 ASP 88 2HB ASP 88 -9.833 2.058 12.038 702 HB3 ASP 88 1HB ASP 88 -9.732 3.725 12.613 703 H GLY 89 H GLY 89 -7.589 2.280 14.318 704 HA2 GLY 89 2HA GLY 89 -6.018 -0.084 14.053 705 HA3 GLY 89 1HA GLY 89 -6.946 0.354 15.487 706 H HIS 90 H HIS 90 -9.548 0.355 14.306 707 HA HIS 90 HA HIS 90 -9.855 -2.577 13.821 708 HB2 HIS 90 2HB HIS 90 -11.182 -0.767 15.593 709 HB3 HIS 90 1HB HIS 90 -12.360 -1.347 14.421 710 HD1 HIS 90 1HD HIS 90 -11.216 -2.258 17.600 711 HD2 HIS 90 2HD HIS 90 -11.765 -4.410 14.068 712 HE1 HIS 90 1HE HIS 90 -11.390 -4.698 18.268 713 HE2 HIS 90 2HE HIS 90 -11.723 -6.018 16.126 714 H TRP 91 H TRP 91 -9.205 -0.656 11.725 715 HA TRP 91 HA TRP 91 -9.877 -0.131 9.545 716 HB2 TRP 91 2HB TRP 91 -11.789 -2.413 10.124 717 HB3 TRP 91 1HB TRP 91 -11.596 -1.669 8.543 718 HD1 TRP 91 HD TRP 91 -9.181 -1.922 7.358 719 HE1 TRP 91 1HE TRP 91 -7.414 -3.783 7.570 720 HE3 TRP 91 3HE TRP 91 -10.692 -4.090 11.718 721 HZ2 TRP 91 2HZ TRP 91 -6.740 -5.920 9.360 722 HZ3 TRP 91 3HZ TRP 91 -9.484 -6.032 12.655 723 HH2 TRP 91 HH TRP 91 -7.505 -6.950 11.481 724 H GLN 92 H GLN 92 -11.270 1.163 11.926 725 HA GLN 92 HA GLN 92 -13.880 1.820 10.635 726 HB2 GLN 92 2HB GLN 92 -12.848 2.425 13.424 727 HB3 GLN 92 1HB GLN 92 -14.439 2.880 12.812 728 HG2 GLN 92 2HG GLN 92 -14.983 0.507 12.432 729 HG3 GLN 92 1HG GLN 92 -13.389 0.051 13.015 730 HE21 GLN 92 1HE2 GLN 92 -15.744 -0.890 14.330 731 HE22 GLN 92 2HE2 GLN 92 -15.825 -0.176 15.868 732 H SER 93 H SER 93 -13.414 3.384 9.120 733 HA SER 93 HA SER 93 -11.408 5.249 8.998 734 HB2 SER 93 2HB SER 93 -13.041 5.118 7.230 735 HB3 SER 93 1HB SER 93 -14.330 5.644 8.311 736 HG SER 93 HG SER 93 -12.254 7.092 7.123 737 H VAL 94 H VAL 94 -10.791 7.038 10.108 738 HA VAL 94 HA VAL 94 -12.672 8.144 12.156 739 HB VAL 94 HB VAL 94 -10.247 8.694 13.239 740 HG11 VAL 94 1HG1 VAL 94 -12.151 7.599 14.368 741 HG12 VAL 94 2HG1 VAL 94 -10.641 6.758 14.718 742 HG13 VAL 94 3HG1 VAL 94 -11.772 6.088 13.543 743 HG21 VAL 94 1HG2 VAL 94 -8.718 6.877 12.933 744 HG22 VAL 94 2HG2 VAL 94 -9.203 7.373 11.312 745 HG23 VAL 94 3HG2 VAL 94 -9.912 5.934 12.041 746 HA PRO 95 HA PRO 95 -12.061 12.131 10.403 747 HB2 PRO 95 2HB PRO 95 -11.393 13.595 12.710 748 HB3 PRO 95 1HB PRO 95 -13.029 13.296 12.098 749 HG2 PRO 95 2HG PRO 95 -11.549 11.947 14.276 750 HG3 PRO 95 1HG PRO 95 -13.286 12.245 14.099 751 HD2 PRO 95 2HD PRO 95 -12.201 9.787 13.711 752 HD3 PRO 95 1HD PRO 95 -13.619 10.350 12.797 753 H ASP 96 H ASP 96 -9.551 10.983 12.607 754 HA ASP 96 HA ASP 96 -7.469 11.802 10.749 755 HB2 ASP 96 2HB ASP 96 -8.111 13.902 12.144 756 HB3 ASP 96 1HB ASP 96 -7.293 13.068 13.466 757 H ASP 97 H ASP 97 -5.415 10.868 11.342 758 HA ASP 97 HA ASP 97 -5.680 8.744 13.411 759 HB2 ASP 97 2HB ASP 97 -3.885 9.015 10.991 760 HB3 ASP 97 1HB ASP 97 -3.705 7.746 12.200 761 H ASP 98 H ASP 98 -4.677 9.196 15.302 762 HA ASP 98 HA ASP 98 -2.588 11.251 15.426 763 HB2 ASP 98 2HB ASP 98 -3.885 9.514 17.532 764 HB3 ASP 98 1HB ASP 98 -2.665 10.736 17.881 765 H ARG 99 H ARG 99 -2.807 7.869 15.058 766 HA ARG 99 HA ARG 99 0.008 7.490 15.944 767 HB2 ARG 99 2HB ARG 99 -0.760 4.984 15.591 768 HB3 ARG 99 1HB ARG 99 -1.202 5.849 17.063 769 HG2 ARG 99 2HG ARG 99 -3.382 6.441 16.050 770 HG3 ARG 99 1HG ARG 99 -2.939 5.556 14.590 771 HD2 ARG 99 2HD ARG 99 -4.279 4.061 15.896 772 HD3 ARG 99 1HD ARG 99 -2.615 3.515 16.084 773 HE ARG 99 HE ARG 99 -2.719 4.132 18.362 774 HH11 ARG 99 1HH1 ARG 99 -3.816 4.916 20.175 775 HH12 ARG 99 2HH1 ARG 99 -5.306 5.772 19.966 776 HH21 ARG 99 1HH2 ARG 99 -5.290 5.489 16.509 777 HH22 ARG 99 2HH2 ARG 99 -6.141 6.096 17.890 778 H ALA 100 H ALA 100 -0.667 8.765 13.426 779 HA ALA 100 HA ALA 100 -0.257 6.712 11.360 780 HB1 ALA 100 1HB ALA 100 -1.053 9.539 11.443 781 HB2 ALA 100 2HB ALA 100 -1.499 8.280 10.293 782 HB3 ALA 100 3HB ALA 100 0.024 9.148 10.104 783 H SER 101 H SER 101 1.595 6.661 9.983 784 HA SER 101 HA SER 101 4.026 7.989 11.120 785 HB2 SER 101 2HB SER 101 5.308 6.023 10.523 786 HB3 SER 101 1HB SER 101 3.916 5.493 11.464 787 HG SER 101 HG SER 101 4.411 5.298 8.700 788 H GLU 102 H GLU 102 5.822 8.105 9.370 789 HA GLU 102 HA GLU 102 4.537 8.976 6.819 790 HB2 GLU 102 2HB GLU 102 7.189 9.788 8.039 791 HB3 GLU 102 1HB GLU 102 6.533 10.403 6.522 792 HG2 GLU 102 2HG GLU 102 4.545 11.250 7.755 793 HG3 GLU 102 1HG GLU 102 5.276 10.705 9.265 794 H ILE 103 H ILE 103 5.253 8.148 4.884 795 HA ILE 103 HA ILE 103 7.432 6.099 5.014 796 HB ILE 103 HB ILE 103 4.961 6.057 3.252 797 HG12 ILE 103 2HG1 ILE 103 5.649 4.327 5.648 798 HG13 ILE 103 1HG1 ILE 103 4.515 5.680 5.695 799 HG21 ILE 103 1HG2 ILE 103 7.425 4.823 2.887 800 HG22 ILE 103 2HG2 ILE 103 5.899 4.302 2.174 801 HG23 ILE 103 3HG2 ILE 103 6.461 3.578 3.680 802 HD11 ILE 103 1HD1 ILE 103 4.251 3.039 4.286 803 HD12 ILE 103 2HD1 ILE 103 3.394 4.449 3.661 804 HD13 ILE 103 3HD1 ILE 103 3.079 3.880 5.301 805 H GLU 104 H GLU 104 8.956 6.195 3.366 806 HA GLU 104 HA GLU 104 8.652 8.467 1.439 807 HB2 GLU 104 2HB GLU 104 10.564 8.616 3.056 808 HB3 GLU 104 1HB GLU 104 11.204 7.120 2.374 809 HG2 GLU 104 2HG GLU 104 11.268 8.213 0.131 810 HG3 GLU 104 1HG GLU 104 10.740 9.720 0.883 811 H VAL 105 H VAL 105 8.412 7.880 -0.666 812 HA VAL 105 HA VAL 105 9.499 5.241 -1.522 813 HB VAL 105 HB VAL 105 6.840 6.378 -2.415 814 HG11 VAL 105 1HG1 VAL 105 7.946 3.572 -2.682 815 HG12 VAL 105 2HG1 VAL 105 8.146 4.801 -3.931 816 HG13 VAL 105 3HG1 VAL 105 6.530 4.254 -3.483 817 HG21 VAL 105 1HG2 VAL 105 6.141 5.713 -0.353 818 HG22 VAL 105 2HG2 VAL 105 7.606 4.775 -0.059 819 HG23 VAL 105 3HG2 VAL 105 6.291 4.083 -1.009 820 H ASP 106 H ASP 106 10.516 5.273 -3.515 821 HA ASP 106 HA ASP 106 10.221 7.747 -5.150 822 HB2 ASP 106 2HB ASP 106 12.325 7.850 -3.797 823 HB3 ASP 106 1HB ASP 106 12.859 6.368 -4.594 824 H PHE 107 H PHE 107 10.021 7.351 -7.326 825 HA PHE 107 HA PHE 107 10.359 4.512 -8.190 826 HB2 PHE 107 2HB PHE 107 8.520 6.686 -9.232 827 HB3 PHE 107 1HB PHE 107 8.651 5.062 -9.899 828 HD1 PHE 107 1HD PHE 107 8.034 6.826 -6.655 829 HD2 PHE 107 2HD PHE 107 7.286 3.355 -9.071 830 HE1 PHE 107 1HE PHE 107 6.421 5.996 -4.965 831 HE2 PHE 107 2HE PHE 107 5.674 2.524 -7.379 832 HZ PHE 107 HZ PHE 107 5.241 3.845 -5.326 833 H VAL 108 H VAL 108 11.588 4.115 -10.019 834 HA VAL 108 HA VAL 108 12.773 6.488 -11.393 835 HB VAL 108 HB VAL 108 14.305 3.936 -11.100 836 HG11 VAL 108 1HG1 VAL 108 15.077 5.800 -12.570 837 HG12 VAL 108 2HG1 VAL 108 16.204 5.458 -11.257 838 HG13 VAL 108 3HG1 VAL 108 15.130 6.853 -11.155 839 HG21 VAL 108 1HG2 VAL 108 13.578 4.450 -8.817 840 HG22 VAL 108 2HG2 VAL 108 14.086 6.128 -9.011 841 HG23 VAL 108 3HG2 VAL 108 15.289 4.839 -8.994 842 HA PRO 109 HA PRO 109 11.029 4.094 -14.823 843 HB2 PRO 109 2HB PRO 109 11.552 5.863 -16.819 844 HB3 PRO 109 1HB PRO 109 10.235 6.104 -15.657 845 HG2 PRO 109 2HG PRO 109 12.921 7.358 -15.761 846 HG3 PRO 109 1HG PRO 109 11.363 8.060 -15.302 847 HD2 PRO 109 2HD PRO 109 13.284 7.232 -13.489 848 HD3 PRO 109 1HD PRO 109 11.549 7.367 -13.116 849 H ASN 110 H ASN 110 12.026 2.491 -15.928 850 HA ASN 110 HA ASN 110 14.807 2.937 -16.898 851 HB2 ASN 110 2HB ASN 110 14.619 1.276 -15.012 852 HB3 ASN 110 1HB ASN 110 13.609 0.289 -16.068 853 HD21 ASN 110 1HD2 ASN 110 16.861 1.830 -15.978 854 HD22 ASN 110 2HD2 ASN 110 17.611 0.647 -16.935 855 H GLY 111 H GLY 111 14.856 2.981 -19.083 856 HA2 GLY 111 2HA GLY 111 12.737 2.603 -20.821 857 HA3 GLY 111 1HA GLY 111 14.411 2.327 -21.307 858 H SER 112 H SER 112 12.572 0.767 -22.522 859 HA SER 112 HA SER 112 12.238 -1.510 -23.014 860 HB2 SER 112 2HB SER 112 14.619 -1.573 -21.804 861 HB3 SER 112 1HB SER 112 13.680 -2.389 -20.559 862 HG SER 112 HG SER 112 13.859 -4.075 -21.790 863 H GLY 113 H GLY 113 10.873 0.192 -20.711 864 HA2 GLY 113 2HA GLY 113 8.888 -0.176 -19.488 865 HA3 GLY 113 1HA GLY 113 8.872 -1.831 -20.113 866 H GLY 114 H GLY 114 10.869 0.150 -17.888 867 HA2 GLY 114 2HA GLY 114 10.648 -2.014 -15.894 868 HA3 GLY 114 1HA GLY 114 12.265 -1.533 -16.392 869 H THR 115 H THR 115 10.532 -1.246 -13.831 870 HA THR 115 HA THR 115 11.321 1.593 -13.378 871 HB THR 115 HB THR 115 8.660 0.315 -12.784 872 HG1 THR 115 1HG THR 115 8.073 1.729 -14.199 873 HG21 THR 115 1HG2 THR 115 8.286 2.456 -11.398 874 HG22 THR 115 2HG2 THR 115 10.044 2.566 -11.331 875 HG23 THR 115 3HG2 THR 115 9.221 1.163 -10.653 876 H ARG 116 H ARG 116 12.278 1.962 -11.412 877 HA ARG 116 HA ARG 116 12.559 -0.410 -9.610 878 HB2 ARG 116 2HB ARG 116 14.676 0.480 -10.612 879 HB3 ARG 116 1HB ARG 116 14.352 2.032 -9.835 880 HG2 ARG 116 2HG ARG 116 14.325 0.880 -7.623 881 HG3 ARG 116 1HG ARG 116 14.763 -0.624 -8.432 882 HD2 ARG 116 2HD ARG 116 16.397 1.929 -8.471 883 HD3 ARG 116 1HD ARG 116 16.762 0.494 -7.512 884 HE ARG 116 HE ARG 116 17.183 0.790 -10.399 885 HH11 ARG 116 1HH1 ARG 116 18.224 -0.958 -11.384 886 HH12 ARG 116 2HH1 ARG 116 18.384 -2.450 -10.521 887 HH21 ARG 116 1HH2 ARG 116 16.759 -1.293 -7.685 888 HH22 ARG 116 2HH2 ARG 116 17.555 -2.640 -8.427 889 H VAL 117 H VAL 117 11.579 -0.218 -7.638 890 HA VAL 117 HA VAL 117 10.890 2.545 -6.708 891 HB VAL 117 HB VAL 117 9.265 0.033 -6.280 892 HG11 VAL 117 1HG1 VAL 117 9.092 1.792 -4.521 893 HG12 VAL 117 2HG1 VAL 117 7.581 1.566 -5.406 894 HG13 VAL 117 3HG1 VAL 117 8.617 2.948 -5.767 895 HG21 VAL 117 1HG2 VAL 117 9.181 2.185 -8.362 896 HG22 VAL 117 2HG2 VAL 117 7.664 1.480 -7.801 897 HG23 VAL 117 3HG2 VAL 117 8.896 0.453 -8.530 898 H GLU 118 H GLU 118 11.343 3.019 -4.623 899 HA GLU 118 HA GLU 118 12.402 0.811 -2.900 900 HB2 GLU 118 2HB GLU 118 13.223 3.740 -2.895 901 HB3 GLU 118 1HB GLU 118 13.904 2.468 -1.881 902 HG2 GLU 118 2HG GLU 118 14.678 1.284 -3.920 903 HG3 GLU 118 1HG GLU 118 14.048 2.601 -4.907 904 H LEU 119 H LEU 119 10.709 0.431 -1.491 905 HA LEU 119 HA LEU 119 9.280 2.812 -0.398 906 HB2 LEU 119 2HB LEU 119 7.964 1.016 -1.628 907 HB3 LEU 119 1HB LEU 119 8.368 -0.066 -0.303 908 HG LEU 119 HG LEU 119 7.213 2.577 0.446 909 HD11 LEU 119 1HD1 LEU 119 4.927 1.808 0.011 910 HD12 LEU 119 2HD1 LEU 119 5.547 0.321 -0.708 911 HD13 LEU 119 3HD1 LEU 119 5.839 1.871 -1.498 912 HD21 LEU 119 1HD2 LEU 119 6.855 -0.294 1.372 913 HD22 LEU 119 2HD2 LEU 119 6.024 1.087 2.085 914 HD23 LEU 119 3HD2 LEU 119 7.779 0.967 2.187 915 H ALA 120 H ALA 120 9.619 3.301 1.708 916 HA ALA 120 HA ALA 120 10.602 1.135 3.516 917 HB1 ALA 120 1HB ALA 120 11.592 3.862 4.074 918 HB2 ALA 120 2HB ALA 120 12.229 3.134 2.601 919 HB3 ALA 120 3HB ALA 120 12.443 2.319 4.150 920 H HIS 121 H HIS 121 9.441 1.021 5.375 921 HA HIS 121 HA HIS 121 7.668 3.334 6.059 922 HB2 HIS 121 2HB HIS 121 6.017 1.857 6.680 923 HB3 HIS 121 1HB HIS 121 6.849 0.808 5.533 924 HD1 HIS 121 1HD HIS 121 5.625 0.768 8.873 925 HD2 HIS 121 2HD HIS 121 9.081 -0.689 7.053 926 HE1 HIS 121 1HE HIS 121 6.576 -0.984 10.442 927 HE2 HIS 121 2HE HIS 121 8.675 -1.882 9.335 928 H VAL 122 H VAL 122 8.057 4.308 8.042 929 HA VAL 122 HA VAL 122 9.815 2.824 9.945 930 HB VAL 122 HB VAL 122 11.066 4.929 10.338 931 HG11 VAL 122 1HG1 VAL 122 11.211 4.528 7.388 932 HG12 VAL 122 2HG1 VAL 122 11.470 3.111 8.407 933 HG13 VAL 122 3HG1 VAL 122 12.504 4.529 8.587 934 HG21 VAL 122 1HG2 VAL 122 10.226 6.217 7.861 935 HG22 VAL 122 2HG2 VAL 122 10.357 6.904 9.479 936 HG23 VAL 122 3HG2 VAL 122 8.880 6.071 8.991 937 H LYS 123 H LYS 123 9.681 3.456 12.123 938 HA LYS 123 HA LYS 123 8.527 4.031 14.065 939 HB2 LYS 123 2HB LYS 123 7.988 6.400 12.273 940 HB3 LYS 123 1HB LYS 123 7.404 6.336 13.936 941 HG2 LYS 123 2HG LYS 123 9.528 7.456 14.000 942 HG3 LYS 123 1HG LYS 123 9.793 5.834 14.641 943 HD2 LYS 123 2HD LYS 123 10.774 5.080 12.599 944 HD3 LYS 123 1HD LYS 123 10.223 6.511 11.727 945 HE2 LYS 123 2HE LYS 123 12.328 6.392 13.901 946 HE3 LYS 123 1HE LYS 123 12.581 6.776 12.198 947 HZ1 LYS 123 1HZ LYS 123 11.086 8.373 14.200 948 HZ2 LYS 123 2HZ LYS 123 11.055 8.695 12.532 949 HZ3 LYS 123 3HZ LYS 123 12.514 8.808 13.395 950 H LEU 124 H LEU 124 7.153 2.368 12.062 951 HA LEU 124 HA LEU 124 4.370 3.169 11.986 952 HB2 LEU 124 2HB LEU 124 5.735 1.398 10.566 953 HB3 LEU 124 1HB LEU 124 5.193 0.305 11.836 954 HG LEU 124 HG LEU 124 2.862 1.479 11.399 955 HD11 LEU 124 1HD1 LEU 124 4.295 2.875 9.582 956 HD12 LEU 124 2HD1 LEU 124 2.578 2.530 9.383 957 HD13 LEU 124 3HD1 LEU 124 3.779 1.524 8.573 958 HD21 LEU 124 1HD2 LEU 124 4.157 -0.637 9.668 959 HD22 LEU 124 2HD2 LEU 124 2.431 -0.285 9.633 960 HD23 LEU 124 3HD2 LEU 124 3.178 -0.887 11.111 961 H HIS 125 H HIS 125 6.390 1.144 14.052 962 HA HIS 125 HA HIS 125 4.530 -0.093 15.713 963 HB2 HIS 125 2HB HIS 125 6.990 -0.335 15.950 964 HB3 HIS 125 1HB HIS 125 7.057 1.291 16.626 965 HD1 HIS 125 1HD HIS 125 5.012 -1.867 17.326 966 HD2 HIS 125 2HD HIS 125 6.972 1.192 19.378 967 HE1 HIS 125 1HE HIS 125 4.721 -2.357 19.796 968 HE2 HIS 125 2HE HIS 125 5.911 -0.502 21.052 969 H ARG 126 H ARG 126 4.928 3.211 15.177 970 HA ARG 126 HA ARG 126 4.315 4.464 17.579 971 HB2 ARG 126 2HB ARG 126 4.667 5.638 15.415 972 HB3 ARG 126 1HB ARG 126 3.067 5.107 14.903 973 HG2 ARG 126 2HG ARG 126 2.069 6.284 16.844 974 HG3 ARG 126 1HG ARG 126 3.675 6.856 17.302 975 HD2 ARG 126 2HD ARG 126 2.315 7.429 14.652 976 HD3 ARG 126 1HD ARG 126 2.426 8.561 16.000 977 HE ARG 126 HE ARG 126 5.048 7.620 15.277 978 HH11 ARG 126 1HH1 ARG 126 6.388 9.057 14.162 979 HH12 ARG 126 2HH1 ARG 126 5.693 10.428 13.364 980 HH21 ARG 126 1HH2 ARG 126 2.445 9.660 14.304 981 HH22 ARG 126 2HH2 ARG 126 3.460 10.770 13.444 982 H HIS 127 H HIS 127 2.140 2.560 15.515 983 HA HIS 127 HA HIS 127 -0.215 3.317 17.055 984 HB2 HIS 127 2HB HIS 127 -1.114 1.116 15.895 985 HB3 HIS 127 1HB HIS 127 -0.902 2.595 14.970 986 HD1 HIS 127 1HD HIS 127 1.994 0.390 15.992 987 HD2 HIS 127 2HD HIS 127 -0.224 1.309 12.582 988 HE1 HIS 127 1HE HIS 127 3.178 -0.700 14.034 989 HE2 HIS 127 2HE HIS 127 1.852 -0.130 11.960 990 H GLY 128 H GLY 128 2.341 1.061 17.495 991 HA2 GLY 128 2HA GLY 128 2.742 -0.115 19.536 992 HA3 GLY 128 1HA GLY 128 1.057 0.147 19.986 993 H ASP 129 H ASP 129 1.219 -2.212 20.556 994 HA ASP 129 HA ASP 129 1.529 -4.188 18.476 995 HB2 ASP 129 2HB ASP 129 0.677 -5.772 20.140 996 HB3 ASP 129 1HB ASP 129 1.847 -4.685 20.891 997 H GLY 130 H GLY 130 -0.205 -5.588 17.659 998 HA2 GLY 130 2HA GLY 130 -2.497 -6.045 17.102 999 HA3 GLY 130 1HA GLY 130 -2.954 -4.493 17.819 1000 H ALA 131 H ALA 131 -0.395 -3.574 16.185 1001 HA ALA 131 HA ALA 131 -1.820 -2.301 14.070 1002 HB1 ALA 131 1HB ALA 131 0.480 -1.824 13.184 1003 HB2 ALA 131 2HB ALA 131 1.131 -2.848 14.462 1004 HB3 ALA 131 3HB ALA 131 0.254 -1.376 14.873 1005 H TRP 132 H TRP 132 0.315 -5.181 14.080 1006 HA TRP 132 HA TRP 132 0.227 -5.665 11.301 1007 HB2 TRP 132 2HB TRP 132 1.660 -6.911 12.974 1008 HB3 TRP 132 1HB TRP 132 0.224 -7.848 13.401 1009 HD1 TRP 132 HD TRP 132 -0.804 -9.440 11.521 1010 HE1 TRP 132 1HE TRP 132 0.243 -10.498 9.418 1011 HE3 TRP 132 3HE TRP 132 3.416 -6.572 11.084 1012 HZ2 TRP 132 2HZ TRP 132 2.554 -10.177 7.775 1013 HZ3 TRP 132 3HZ TRP 132 5.016 -6.980 9.240 1014 HH2 TRP 132 HH TRP 132 4.593 -8.777 7.585 1015 H ASN 133 H ASN 133 -2.135 -6.310 13.822 1016 HA ASN 133 HA ASN 133 -3.848 -8.098 12.445 1017 HB2 ASN 133 2HB ASN 133 -4.063 -7.173 14.845 1018 HB3 ASN 133 1HB ASN 133 -4.849 -5.778 14.108 1019 HD21 ASN 133 1HD2 ASN 133 -6.585 -7.000 15.698 1020 HD22 ASN 133 2HD2 ASN 133 -7.642 -8.036 14.868 1021 H ILE 134 H ILE 134 -3.598 -4.569 12.342 1022 HA ILE 134 HA ILE 134 -5.717 -4.063 10.511 1023 HB ILE 134 HB ILE 134 -3.066 -2.634 10.807 1024 HG12 ILE 134 2HG1 ILE 134 -5.739 -2.065 12.124 1025 HG13 ILE 134 1HG1 ILE 134 -4.381 -2.857 12.928 1026 HG21 ILE 134 1HG2 ILE 134 -5.146 -2.296 8.951 1027 HG22 ILE 134 2HG2 ILE 134 -3.811 -1.189 9.268 1028 HG23 ILE 134 3HG2 ILE 134 -5.338 -0.998 10.127 1029 HD11 ILE 134 1HD1 ILE 134 -4.730 -0.003 12.171 1030 HD12 ILE 134 2HD1 ILE 134 -3.113 -0.673 11.959 1031 HD13 ILE 134 3HD1 ILE 134 -3.879 -0.707 13.546 1032 H HIS 135 H HIS 135 -2.277 -4.759 10.094 1033 HA HIS 135 HA HIS 135 -2.230 -4.725 7.234 1034 HB2 HIS 135 2HB HIS 135 -0.148 -4.627 8.481 1035 HB3 HIS 135 1HB HIS 135 -0.490 -6.183 9.240 1036 HD1 HIS 135 1HD HIS 135 -1.513 -6.087 5.760 1037 HD2 HIS 135 2HD HIS 135 1.974 -7.036 7.827 1038 HE1 HIS 135 1HE HIS 135 -0.067 -7.359 4.130 1039 HE2 HIS 135 2HE HIS 135 2.075 -7.952 5.375 1040 H LYS 136 H LYS 136 -3.077 -7.191 9.606 1041 HA LYS 136 HA LYS 136 -2.991 -9.487 7.991 1042 HB2 LYS 136 2HB LYS 136 -3.593 -9.431 10.437 1043 HB3 LYS 136 1HB LYS 136 -5.186 -8.855 9.966 1044 HG2 LYS 136 2HG LYS 136 -5.498 -10.869 8.584 1045 HG3 LYS 136 1HG LYS 136 -3.927 -11.460 9.111 1046 HD2 LYS 136 2HD LYS 136 -4.745 -11.336 11.481 1047 HD3 LYS 136 1HD LYS 136 -6.344 -10.931 10.857 1048 HE2 LYS 136 2HE LYS 136 -6.656 -13.190 10.894 1049 HE3 LYS 136 1HE LYS 136 -5.771 -13.140 9.369 1050 HZ1 LYS 136 1HZ LYS 136 -3.706 -13.322 10.816 1051 HZ2 LYS 136 2HZ LYS 136 -4.659 -14.718 10.648 1052 HZ3 LYS 136 3HZ LYS 136 -4.752 -13.788 12.067 1053 H ALA 137 H ALA 137 -5.439 -6.928 8.168 1054 HA ALA 137 HA ALA 137 -7.305 -8.211 6.379 1055 HB1 ALA 137 1HB ALA 137 -8.198 -6.378 7.571 1056 HB2 ALA 137 2HB ALA 137 -8.007 -5.753 5.934 1057 HB3 ALA 137 3HB ALA 137 -6.824 -5.345 7.174 1058 H LEU 138 H LEU 138 -4.624 -5.920 5.866 1059 HA LEU 138 HA LEU 138 -4.982 -5.752 3.014 1060 HB2 LEU 138 2HB LEU 138 -2.438 -5.357 4.608 1061 HB3 LEU 138 1HB LEU 138 -2.756 -4.765 2.984 1062 HG LEU 138 HG LEU 138 -4.227 -3.955 5.506 1063 HD11 LEU 138 1HD1 LEU 138 -3.238 -1.694 4.279 1064 HD12 LEU 138 2HD1 LEU 138 -1.957 -2.869 3.981 1065 HD13 LEU 138 3HD1 LEU 138 -2.470 -2.524 5.632 1066 HD21 LEU 138 1HD2 LEU 138 -5.165 -2.230 3.751 1067 HD22 LEU 138 2HD2 LEU 138 -5.888 -3.834 3.864 1068 HD23 LEU 138 3HD2 LEU 138 -4.732 -3.477 2.580 1069 H ASP 139 H ASP 139 -3.352 -8.021 5.128 1070 HA ASP 139 HA ASP 139 -2.380 -10.090 4.711 1071 HB2 ASP 139 2HB ASP 139 -4.316 -9.688 2.549 1072 HB3 ASP 139 1HB ASP 139 -3.022 -10.811 2.139 1073 H GLY 140 H GLY 140 -0.235 -9.965 4.577 1074 HA2 GLY 140 2HA GLY 140 0.974 -9.173 1.963 1075 HA3 GLY 140 1HA GLY 140 1.687 -8.662 3.494 1076 HA PRO 141 HA PRO 141 1.999 -13.602 3.091 1077 HB2 PRO 141 2HB PRO 141 2.292 -13.586 0.128 1078 HB3 PRO 141 1HB PRO 141 1.480 -14.766 1.176 1079 HG2 PRO 141 2HG PRO 141 0.104 -13.040 -0.313 1080 HG3 PRO 141 1HG PRO 141 -0.448 -13.533 1.297 1081 HD2 PRO 141 2HD PRO 141 0.777 -10.949 0.437 1082 HD3 PRO 141 1HD PRO 141 -0.418 -11.266 1.712 1083 H SER 142 H SER 142 4.071 -14.474 3.249 1084 HA SER 142 HA SER 142 6.332 -12.768 2.821 1085 HB2 SER 142 2HB SER 142 5.827 -15.303 4.030 1086 HB3 SER 142 1HB SER 142 7.166 -15.503 2.902 1087 HG SER 142 HG SER 142 8.072 -13.583 3.911 1088 HA PRO 143 HA PRO 143 7.146 -15.357 -1.094 1089 HB2 PRO 143 2HB PRO 143 5.401 -17.281 -1.856 1090 HB3 PRO 143 1HB PRO 143 6.646 -17.568 -0.625 1091 HG2 PRO 143 2HG PRO 143 3.736 -17.161 -0.309 1092 HG3 PRO 143 1HG PRO 143 4.862 -18.109 0.674 1093 HD2 PRO 143 2HD PRO 143 3.878 -15.525 1.274 1094 HD3 PRO 143 1HD PRO 143 5.205 -16.366 2.101 1095 H GLY 144 H GLY 144 3.568 -15.570 -1.166 1096 HA2 GLY 144 2HA GLY 144 3.441 -14.293 -3.774 1097 HA3 GLY 144 1HA GLY 144 2.056 -14.703 -2.755 1098 H GLU 145 H GLU 145 4.760 -12.799 -1.613 1099 HA GLU 145 HA GLU 145 3.277 -10.770 -0.421 1100 HB2 GLU 145 2HB GLU 145 5.307 -9.395 -0.535 1101 HB3 GLU 145 1HB GLU 145 5.709 -11.058 -0.116 1102 HG2 GLU 145 2HG GLU 145 6.258 -11.513 -2.487 1103 HG3 GLU 145 1HG GLU 145 5.897 -9.831 -2.882 1104 H THR 146 H THR 146 3.695 -8.319 -1.270 1105 HA THR 146 HA THR 146 1.840 -7.883 -3.364 1106 HB THR 146 HB THR 146 4.058 -5.954 -2.754 1107 HG1 THR 146 1HG THR 146 3.433 -5.822 -0.778 1108 HG21 THR 146 1HG2 THR 146 2.135 -4.346 -2.955 1109 HG22 THR 146 2HG2 THR 146 1.122 -5.712 -3.422 1110 HG23 THR 146 3HG2 THR 146 2.489 -5.242 -4.433 1111 H LEU 147 H LEU 147 5.384 -7.860 -3.420 1112 HA LEU 147 HA LEU 147 5.767 -7.087 -6.097 1113 HB2 LEU 147 2HB LEU 147 7.437 -8.984 -4.432 1114 HB3 LEU 147 1HB LEU 147 7.979 -8.125 -5.877 1115 HG LEU 147 HG LEU 147 6.808 -6.189 -4.179 1116 HD11 LEU 147 1HD1 LEU 147 8.274 -6.433 -2.173 1117 HD12 LEU 147 2HD1 LEU 147 8.731 -8.036 -2.749 1118 HD13 LEU 147 3HD1 LEU 147 7.056 -7.703 -2.301 1119 HD21 LEU 147 1HD2 LEU 147 9.205 -5.383 -4.072 1120 HD22 LEU 147 2HD2 LEU 147 8.615 -5.701 -5.704 1121 HD23 LEU 147 3HD2 LEU 147 9.668 -6.866 -4.906 1122 H ALA 148 H ALA 148 5.041 -10.297 -4.790 1123 HA ALA 148 HA ALA 148 5.627 -11.694 -7.240 1124 HB1 ALA 148 1HB ALA 148 4.878 -12.395 -4.629 1125 HB2 ALA 148 2HB ALA 148 5.258 -13.495 -5.955 1126 HB3 ALA 148 3HB ALA 148 3.587 -13.002 -5.668 1127 H ARG 149 H ARG 149 2.486 -10.794 -5.789 1128 HA ARG 149 HA ARG 149 1.025 -11.677 -8.113 1129 HB2 ARG 149 2HB ARG 149 -0.818 -10.234 -6.890 1130 HB3 ARG 149 1HB ARG 149 -0.279 -11.771 -6.218 1131 HG2 ARG 149 2HG ARG 149 0.877 -10.782 -4.498 1132 HG3 ARG 149 1HG ARG 149 1.295 -9.361 -5.454 1133 HD2 ARG 149 2HD ARG 149 -0.269 -8.642 -3.778 1134 HD3 ARG 149 1HD ARG 149 -1.140 -8.670 -5.309 1135 HE ARG 149 HE ARG 149 -1.623 -11.177 -4.250 1136 HH11 ARG 149 1HH1 ARG 149 -3.360 -11.617 -2.869 1137 HH12 ARG 149 2HH1 ARG 149 -4.046 -10.335 -1.927 1138 HH21 ARG 149 1HH2 ARG 149 -1.876 -7.921 -3.146 1139 HH22 ARG 149 2HH2 ARG 149 -3.206 -8.243 -2.084 1140 H PHE 150 H PHE 150 1.573 -8.346 -6.854 1141 HA PHE 150 HA PHE 150 0.268 -7.105 -9.078 1142 HB2 PHE 150 2HB PHE 150 0.492 -5.281 -7.813 1143 HB3 PHE 150 1HB PHE 150 1.397 -6.253 -6.649 1144 HD1 PHE 150 1HD PHE 150 3.922 -6.669 -7.305 1145 HD2 PHE 150 2HD PHE 150 1.524 -3.439 -8.775 1146 HE1 PHE 150 1HE PHE 150 5.975 -5.404 -7.825 1147 HE2 PHE 150 2HE PHE 150 3.579 -2.160 -9.316 1148 HZ PHE 150 HZ PHE 150 5.801 -3.145 -8.848 1149 H ALA 151 H ALA 151 3.686 -7.967 -8.585 1150 HA ALA 151 HA ALA 151 4.606 -6.443 -10.859 1151 HB1 ALA 151 1HB ALA 151 6.700 -7.490 -10.536 1152 HB2 ALA 151 2HB ALA 151 5.966 -8.917 -9.805 1153 HB3 ALA 151 3HB ALA 151 6.007 -7.392 -8.919 1154 H ASN 152 H ASN 152 3.686 -9.829 -10.417 1155 HA ASN 152 HA ASN 152 4.365 -10.758 -13.014 1156 HB2 ASN 152 2HB ASN 152 2.114 -11.650 -11.208 1157 HB3 ASN 152 1HB ASN 152 2.709 -12.553 -12.598 1158 HD21 ASN 152 1HD2 ASN 152 2.813 -13.638 -9.951 1159 HD22 ASN 152 2HD2 ASN 152 4.446 -13.768 -9.491 1160 H VAL 153 H VAL 153 1.331 -9.350 -11.818 1161 HA VAL 153 HA VAL 153 -0.075 -9.647 -14.303 1162 HB VAL 153 HB VAL 153 -1.640 -7.962 -13.297 1163 HG11 VAL 153 1HG1 VAL 153 -1.810 -10.407 -12.842 1164 HG12 VAL 153 2HG1 VAL 153 -2.340 -9.441 -11.465 1165 HG13 VAL 153 3HG1 VAL 153 -0.746 -10.199 -11.451 1166 HG21 VAL 153 1HG2 VAL 153 0.460 -8.011 -11.130 1167 HG22 VAL 153 2HG2 VAL 153 -1.154 -7.353 -10.908 1168 HG23 VAL 153 3HG2 VAL 153 -0.050 -6.610 -12.064 1169 H ILE 154 H ILE 154 1.817 -6.952 -12.940 1170 HA ILE 154 HA ILE 154 1.167 -5.093 -15.009 1171 HB ILE 154 HB ILE 154 3.559 -5.299 -13.191 1172 HG12 ILE 154 2HG1 ILE 154 1.225 -3.371 -13.219 1173 HG13 ILE 154 1HG1 ILE 154 1.318 -4.792 -12.183 1174 HG21 ILE 154 1HG2 ILE 154 2.878 -3.400 -15.395 1175 HG22 ILE 154 2HG2 ILE 154 4.447 -4.056 -14.931 1176 HG23 ILE 154 3HG2 ILE 154 3.705 -2.784 -13.965 1177 HD11 ILE 154 1HD1 ILE 154 3.485 -3.911 -11.278 1178 HD12 ILE 154 2HD1 ILE 154 2.096 -2.888 -10.908 1179 HD13 ILE 154 3HD1 ILE 154 3.212 -2.431 -12.196 1180 HBC 969 201 HBC PDM 155 4.194 -9.075 1.432 1181 HBD 969 201 HBD PDM 155 4.540 -8.248 2.969 1182 HBE 969 201 HBE PDM 155 5.563 -9.603 2.439 1183 HBA 969 201 HBA PDM 155 6.508 -7.224 2.099 1184 HBB 969 201 HBB PDM 155 6.554 -8.316 0.697 1185 HA0 969 201 0HA PDM 155 3.104 -7.667 0.735 1186 HAY 969 201 HAY PDM 155 3.100 -5.886 0.758 1187 HAZ 969 201 HAZ PDM 155 3.637 -6.796 2.190 1188 HBF 969 201 HBF PDM 155 5.829 -7.770 -0.983 1189 HAQ 969 201 HAQ PDM 155 5.519 -4.920 -6.047 1190 HAL 969 201 HAL PDM 155 7.070 -3.778 -7.362 1191 HAM 969 201 HAM PDM 155 9.048 -2.285 -7.320 1192 HAN 969 201 HAN PDM 155 10.019 -1.580 -5.155 1193 HAE 969 201 HAE PDM 155 10.085 -1.781 -0.355 1194 HAS 969 201 HAS PDM 155 8.690 -1.791 2.555 1195 HAT 969 201 HAT PDM 155 10.279 -2.129 1.825 1196 HAU 969 201 HAU PDM 155 9.390 -3.426 2.655 1197 HAV 969 201 HAV PDM 155 5.331 -5.279 2.825 Start of MODEL 6 1 H1 MET 1 1HT MET 1 5.485 -13.073 11.063 2 H2 MET 1 2HT MET 1 6.161 -12.212 9.763 3 H3 MET 1 3HT MET 1 4.904 -13.321 9.488 4 HA MET 1 HA MET 1 4.584 -10.656 9.789 5 HB2 MET 1 2HB MET 1 2.139 -11.433 10.354 6 HB3 MET 1 1HB MET 1 2.843 -11.860 8.793 7 HG2 MET 1 2HG MET 1 3.205 -14.082 9.414 8 HG3 MET 1 1HG MET 1 3.204 -13.705 11.137 9 HE1 MET 1 1HE MET 1 1.884 -16.081 9.980 10 HE2 MET 1 2HE MET 1 1.260 -15.432 8.466 11 HE3 MET 1 3HE MET 1 0.141 -16.050 9.678 12 HA PRO 2 HA PRO 2 5.235 -11.052 14.430 13 HB2 PRO 2 2HB PRO 2 6.575 -8.453 13.984 14 HB3 PRO 2 1HB PRO 2 7.153 -9.885 14.857 15 HG2 PRO 2 2HG PRO 2 8.144 -9.157 12.472 16 HG3 PRO 2 1HG PRO 2 8.018 -10.850 12.979 17 HD2 PRO 2 2HD PRO 2 6.310 -9.328 11.049 18 HD3 PRO 2 1HD PRO 2 6.791 -11.042 11.027 19 H GLU 3 H GLU 3 4.069 -9.887 16.016 20 HA GLU 3 HA GLU 3 1.828 -8.348 15.117 21 HB2 GLU 3 2HB GLU 3 1.220 -8.197 17.393 22 HB3 GLU 3 1HB GLU 3 2.071 -9.735 17.274 23 HG2 GLU 3 2HG GLU 3 4.176 -8.498 17.926 24 HG3 GLU 3 1HG GLU 3 3.158 -7.107 18.290 25 H GLU 4 H GLU 4 5.070 -7.511 16.003 26 HA GLU 4 HA GLU 4 4.360 -4.631 16.193 27 HB2 GLU 4 2HB GLU 4 5.884 -5.650 17.898 28 HB3 GLU 4 1HB GLU 4 7.038 -5.968 16.606 29 HG2 GLU 4 2HG GLU 4 7.066 -3.533 16.071 30 HG3 GLU 4 1HG GLU 4 6.002 -3.251 17.453 31 H ILE 5 H ILE 5 5.086 -3.140 14.659 32 HA ILE 5 HA ILE 5 6.443 -4.307 12.263 33 HB ILE 5 HB ILE 5 4.976 -1.827 11.804 34 HG12 ILE 5 2HG1 ILE 5 3.519 -2.790 13.548 35 HG13 ILE 5 1HG1 ILE 5 2.745 -2.796 11.969 36 HG21 ILE 5 1HG2 ILE 5 4.890 -4.596 10.615 37 HG22 ILE 5 2HG2 ILE 5 5.839 -3.232 10.022 38 HG23 ILE 5 3HG2 ILE 5 4.077 -3.183 9.945 39 HD11 ILE 5 1HD1 ILE 5 2.567 -5.026 11.993 40 HD12 ILE 5 2HD1 ILE 5 3.131 -5.001 13.663 41 HD13 ILE 5 3HD1 ILE 5 4.284 -5.205 12.344 42 HA PRO 6 HA PRO 6 9.225 -0.992 13.781 43 HB2 PRO 6 2HB PRO 6 11.567 -2.317 13.279 44 HB3 PRO 6 1HB PRO 6 10.637 -2.516 14.777 45 HG2 PRO 6 2HG PRO 6 10.904 -4.329 12.469 46 HG3 PRO 6 1HG PRO 6 10.566 -4.695 14.167 47 HD2 PRO 6 2HD PRO 6 8.677 -4.624 12.067 48 HD3 PRO 6 1HD PRO 6 8.315 -4.694 13.805 49 H ASP 7 H ASP 7 10.960 0.213 12.550 50 HA ASP 7 HA ASP 7 10.168 0.649 9.839 51 HB2 ASP 7 2HB ASP 7 12.041 2.188 9.736 52 HB3 ASP 7 1HB ASP 7 11.284 2.340 11.321 53 H VAL 8 H VAL 8 10.727 -0.447 8.042 54 HA VAL 8 HA VAL 8 13.350 -1.840 7.948 55 HB VAL 8 HB VAL 8 11.641 -3.541 8.556 56 HG11 VAL 8 1HG1 VAL 8 10.373 -2.694 5.932 57 HG12 VAL 8 2HG1 VAL 8 9.670 -2.527 7.539 58 HG13 VAL 8 3HG1 VAL 8 9.919 -4.127 6.849 59 HG21 VAL 8 1HG2 VAL 8 12.501 -5.128 7.111 60 HG22 VAL 8 2HG2 VAL 8 13.628 -3.808 6.799 61 HG23 VAL 8 3HG2 VAL 8 12.287 -4.104 5.692 62 H ARG 9 H ARG 9 14.303 -1.732 5.890 63 HA ARG 9 HA ARG 9 12.682 -0.325 3.796 64 HB2 ARG 9 2HB ARG 9 14.450 1.110 4.768 65 HB3 ARG 9 1HB ARG 9 15.658 -0.095 4.315 66 HG2 ARG 9 2HG ARG 9 15.016 0.161 1.940 67 HG3 ARG 9 1HG ARG 9 13.836 1.388 2.398 68 HD2 ARG 9 2HD ARG 9 15.687 2.741 3.388 69 HD3 ARG 9 1HD ARG 9 16.837 1.544 2.791 70 HE ARG 9 HE ARG 9 15.232 2.404 0.601 71 HH11 ARG 9 1HH1 ARG 9 16.083 3.931 -0.833 72 HH12 ARG 9 2HH1 ARG 9 17.404 4.931 -0.329 73 HH21 ARG 9 1HH2 ARG 9 17.601 3.532 2.837 74 HH22 ARG 9 2HH2 ARG 9 18.264 4.705 1.749 75 H LYS 10 H LYS 10 12.480 -1.407 1.919 76 HA LYS 10 HA LYS 10 14.589 -3.335 1.114 77 HB2 LYS 10 2HB LYS 10 11.630 -4.007 1.201 78 HB3 LYS 10 1HB LYS 10 12.903 -5.046 0.556 79 HG2 LYS 10 2HG LYS 10 14.010 -4.920 2.839 80 HG3 LYS 10 1HG LYS 10 12.535 -4.148 3.423 81 HD2 LYS 10 2HD LYS 10 12.632 -6.856 2.063 82 HD3 LYS 10 1HD LYS 10 12.545 -6.615 3.808 83 HE2 LYS 10 2HE LYS 10 10.451 -5.187 3.318 84 HE3 LYS 10 1HE LYS 10 10.479 -5.928 1.718 85 HZ1 LYS 10 1HZ LYS 10 9.083 -7.201 3.185 86 HZ2 LYS 10 2HZ LYS 10 10.340 -7.357 4.317 87 HZ3 LYS 10 3HZ LYS 10 10.461 -8.111 2.800 88 H SER 11 H SER 11 14.328 -3.932 -1.234 89 HA SER 11 HA SER 11 12.550 -2.226 -2.817 90 HB2 SER 11 2HB SER 11 14.281 -1.032 -3.978 91 HB3 SER 11 1HB SER 11 14.506 -0.781 -2.247 92 HG SER 11 HG SER 11 15.827 -2.756 -3.809 93 H VAL 12 H VAL 12 12.480 -2.833 -5.030 94 HA VAL 12 HA VAL 12 14.151 -5.053 -5.967 95 HB VAL 12 HB VAL 12 11.228 -5.381 -5.343 96 HG11 VAL 12 1HG1 VAL 12 12.956 -6.836 -7.339 97 HG12 VAL 12 2HG1 VAL 12 11.335 -6.180 -7.567 98 HG13 VAL 12 3HG1 VAL 12 11.572 -7.625 -6.585 99 HG21 VAL 12 1HG2 VAL 12 12.626 -6.119 -3.553 100 HG22 VAL 12 2HG2 VAL 12 13.774 -6.866 -4.666 101 HG23 VAL 12 3HG2 VAL 12 12.181 -7.583 -4.430 102 H VAL 13 H VAL 13 13.817 -5.452 -8.263 103 HA VAL 13 HA VAL 13 12.613 -3.088 -9.602 104 HB VAL 13 HB VAL 13 14.507 -5.168 -10.734 105 HG11 VAL 13 1HG1 VAL 13 14.695 -2.775 -12.155 106 HG12 VAL 13 2HG1 VAL 13 12.965 -2.955 -11.856 107 HG13 VAL 13 3HG1 VAL 13 13.855 -4.233 -12.686 108 HG21 VAL 13 1HG2 VAL 13 16.262 -3.930 -9.980 109 HG22 VAL 13 2HG2 VAL 13 15.104 -3.277 -8.821 110 HG23 VAL 13 3HG2 VAL 13 15.444 -2.404 -10.316 111 H VAL 14 H VAL 14 10.874 -3.337 -10.915 112 HA VAL 14 HA VAL 14 9.995 -6.120 -11.556 113 HB VAL 14 HB VAL 14 8.558 -5.334 -9.781 114 HG11 VAL 14 1HG1 VAL 14 8.566 -3.077 -9.515 115 HG12 VAL 14 2HG1 VAL 14 7.229 -3.093 -10.667 116 HG13 VAL 14 3HG1 VAL 14 8.873 -2.786 -11.227 117 HG21 VAL 14 1HG2 VAL 14 7.479 -6.428 -11.792 118 HG22 VAL 14 2HG2 VAL 14 7.107 -4.815 -12.400 119 HG23 VAL 14 3HG2 VAL 14 6.397 -5.371 -10.887 120 H ALA 15 H ALA 15 8.635 -6.237 -13.519 121 HA ALA 15 HA ALA 15 9.630 -4.465 -15.597 122 HB1 ALA 15 1HB ALA 15 8.904 -6.958 -15.806 123 HB2 ALA 15 2HB ALA 15 8.468 -5.857 -17.113 124 HB3 ALA 15 3HB ALA 15 7.266 -6.311 -15.905 125 H ALA 16 H ALA 16 8.887 -2.334 -15.156 126 HA ALA 16 HA ALA 16 6.159 -1.747 -15.900 127 HB1 ALA 16 1HB ALA 16 6.770 -1.173 -13.002 128 HB2 ALA 16 2HB ALA 16 6.035 -2.702 -13.485 129 HB3 ALA 16 3HB ALA 16 5.207 -1.182 -13.818 130 H SER 17 H SER 17 5.730 0.610 -15.697 131 HA SER 17 HA SER 17 8.273 2.157 -15.747 132 HB2 SER 17 2HB SER 17 5.547 2.862 -16.883 133 HB3 SER 17 1HB SER 17 7.012 3.827 -17.049 134 HG SER 17 HG SER 17 6.431 2.320 -18.825 135 H VAL 18 H VAL 18 8.375 4.077 -14.429 136 HA VAL 18 HA VAL 18 7.090 3.965 -11.935 137 HB VAL 18 HB VAL 18 7.850 6.271 -11.620 138 HG11 VAL 18 1HG1 VAL 18 10.115 5.766 -11.750 139 HG12 VAL 18 2HG1 VAL 18 9.959 5.040 -13.344 140 HG13 VAL 18 3HG1 VAL 18 9.419 4.154 -11.924 141 HG21 VAL 18 1HG2 VAL 18 7.253 7.373 -13.631 142 HG22 VAL 18 2HG2 VAL 18 8.053 6.159 -14.629 143 HG23 VAL 18 3HG2 VAL 18 9.015 7.305 -13.695 144 H GLU 19 H GLU 19 6.163 5.838 -14.822 145 HA GLU 19 HA GLU 19 3.866 7.074 -13.653 146 HB2 GLU 19 2HB GLU 19 4.878 7.721 -15.861 147 HB3 GLU 19 1HB GLU 19 4.217 6.235 -16.538 148 HG2 GLU 19 2HG GLU 19 1.937 6.969 -15.853 149 HG3 GLU 19 1HG GLU 19 2.627 8.491 -15.288 150 H HIS 20 H HIS 20 4.383 3.989 -15.288 151 HA HIS 20 HA HIS 20 1.642 3.134 -15.298 152 HB2 HIS 20 2HB HIS 20 3.151 1.926 -16.701 153 HB3 HIS 20 1HB HIS 20 4.265 1.630 -15.364 154 HD1 HIS 20 1HD HIS 20 1.261 0.281 -17.021 155 HD2 HIS 20 2HD HIS 20 3.186 -0.250 -13.351 156 HE1 HIS 20 1HE HIS 20 0.303 -1.823 -15.993 157 HE2 HIS 20 2HE HIS 20 1.491 -2.176 -13.791 158 H CYS 21 H CYS 21 4.310 2.704 -13.014 159 HA CYS 21 HA CYS 21 3.178 0.909 -11.214 160 HB2 CYS 21 2HB CYS 21 4.821 3.380 -10.600 161 HB3 CYS 21 1HB CYS 21 4.578 2.031 -9.498 162 HG CYS 21 HG CYS 21 5.660 0.927 -12.054 163 H PHE 22 H PHE 22 2.705 4.432 -11.358 164 HA PHE 22 HA PHE 22 0.791 4.276 -9.148 165 HB2 PHE 22 2HB PHE 22 2.238 6.399 -10.498 166 HB3 PHE 22 1HB PHE 22 0.537 6.817 -10.228 167 HD1 PHE 22 1HD PHE 22 -0.324 7.174 -8.034 168 HD2 PHE 22 2HD PHE 22 3.617 5.563 -8.579 169 HE1 PHE 22 1HE PHE 22 0.096 7.386 -5.602 170 HE2 PHE 22 2HE PHE 22 4.046 5.784 -6.151 171 HZ PHE 22 HZ PHE 22 2.283 6.687 -4.665 172 H GLU 23 H GLU 23 0.646 4.417 -12.651 173 HA GLU 23 HA GLU 23 -2.085 5.192 -12.892 174 HB2 GLU 23 2HB GLU 23 -0.578 4.978 -14.841 175 HB3 GLU 23 1HB GLU 23 -0.526 3.234 -14.593 176 HG2 GLU 23 2HG GLU 23 -2.980 3.122 -14.907 177 HG3 GLU 23 1HG GLU 23 -3.004 4.860 -15.218 178 H VAL 24 H VAL 24 -0.537 2.078 -12.302 179 HA VAL 24 HA VAL 24 -2.952 0.522 -12.339 180 HB VAL 24 HB VAL 24 -0.268 0.034 -11.005 181 HG11 VAL 24 1HG1 VAL 24 -0.884 -2.177 -10.669 182 HG12 VAL 24 2HG1 VAL 24 -2.168 -2.115 -11.872 183 HG13 VAL 24 3HG1 VAL 24 -2.397 -1.353 -10.302 184 HG21 VAL 24 1HG2 VAL 24 -0.309 -1.589 -13.139 185 HG22 VAL 24 2HG2 VAL 24 0.271 0.071 -13.243 186 HG23 VAL 24 3HG2 VAL 24 -1.368 -0.321 -13.756 187 H PHE 25 H PHE 25 -1.123 2.167 -9.779 188 HA PHE 25 HA PHE 25 -2.489 1.206 -7.509 189 HB2 PHE 25 2HB PHE 25 -1.242 3.883 -8.141 190 HB3 PHE 25 1HB PHE 25 -1.919 3.518 -6.561 191 HD1 PHE 25 1HD PHE 25 0.442 4.032 -5.785 192 HD2 PHE 25 2HD PHE 25 -0.481 0.610 -8.232 193 HE1 PHE 25 1HE PHE 25 2.568 2.965 -5.114 194 HE2 PHE 25 2HE PHE 25 1.630 -0.444 -7.548 195 HZ PHE 25 HZ PHE 25 3.151 0.721 -5.991 196 H THR 26 H THR 26 -3.317 4.009 -9.548 197 HA THR 26 HA THR 26 -5.813 4.354 -8.029 198 HB THR 26 HB THR 26 -6.118 6.332 -9.527 199 HG1 THR 26 1HG THR 26 -3.535 6.202 -10.414 200 HG21 THR 26 1HG2 THR 26 -3.657 7.258 -8.743 201 HG22 THR 26 2HG2 THR 26 -3.880 5.881 -7.666 202 HG23 THR 26 3HG2 THR 26 -5.075 7.183 -7.695 203 H SER 27 H SER 27 -4.899 2.407 -10.589 204 HA SER 27 HA SER 27 -7.436 2.773 -12.058 205 HB2 SER 27 2HB SER 27 -5.376 2.452 -13.353 206 HB3 SER 27 1HB SER 27 -5.154 0.881 -12.597 207 HG SER 27 HG SER 27 -7.613 1.419 -13.784 208 H ARG 28 H ARG 28 -5.818 0.067 -10.262 209 HA ARG 28 HA ARG 28 -8.365 -0.906 -9.331 210 HB2 ARG 28 2HB ARG 28 -8.337 -3.034 -10.740 211 HB3 ARG 28 1HB ARG 28 -8.854 -1.568 -11.554 212 HG2 ARG 28 2HG ARG 28 -7.335 -2.452 -13.099 213 HG3 ARG 28 1HG ARG 28 -6.319 -1.335 -12.210 214 HD2 ARG 28 2HD ARG 28 -5.226 -3.045 -11.057 215 HD3 ARG 28 1HD ARG 28 -6.528 -4.205 -11.330 216 HE ARG 28 HE ARG 28 -5.465 -4.780 -13.339 217 HH11 ARG 28 1HH1 ARG 28 -4.012 -4.459 -15.040 218 HH12 ARG 28 2HH1 ARG 28 -3.147 -2.962 -15.151 219 HH21 ARG 28 1HH2 ARG 28 -4.591 -1.608 -12.306 220 HH22 ARG 28 2HH2 ARG 28 -3.477 -1.348 -13.605 221 HA PRO 29 HA PRO 29 -4.225 -2.668 -7.614 222 HB2 PRO 29 2HB PRO 29 -5.005 -1.871 -5.019 223 HB3 PRO 29 1HB PRO 29 -3.769 -1.108 -6.034 224 HG2 PRO 29 2HG PRO 29 -6.597 -0.339 -5.599 225 HG3 PRO 29 1HG PRO 29 -5.178 0.680 -5.895 226 HD2 PRO 29 2HD PRO 29 -6.995 0.253 -7.836 227 HD3 PRO 29 1HD PRO 29 -5.262 0.354 -8.210 228 H ALA 30 H ALA 30 -7.644 -2.844 -6.641 229 HA ALA 30 HA ALA 30 -7.191 -5.259 -5.054 230 HB1 ALA 30 1HB ALA 30 -9.708 -5.376 -5.022 231 HB2 ALA 30 2HB ALA 30 -9.729 -3.929 -6.027 232 HB3 ALA 30 3HB ALA 30 -9.045 -3.866 -4.401 233 H ASP 31 H ASP 31 -8.705 -4.576 -8.195 234 HA ASP 31 HA ASP 31 -9.400 -7.241 -8.847 235 HB2 ASP 31 2HB ASP 31 -10.017 -5.033 -10.048 236 HB3 ASP 31 1HB ASP 31 -8.509 -5.270 -10.933 237 H TRP 32 H TRP 32 -6.232 -6.000 -8.514 238 HA TRP 32 HA TRP 32 -4.727 -7.067 -10.565 239 HB2 TRP 32 2HB TRP 32 -4.226 -7.108 -7.597 240 HB3 TRP 32 1HB TRP 32 -3.096 -7.899 -8.689 241 HD1 TRP 32 HD TRP 32 -3.079 -5.751 -11.045 242 HE1 TRP 32 1HE TRP 32 -1.957 -3.488 -10.656 243 HE3 TRP 32 3HE TRP 32 -3.148 -5.608 -5.960 244 HZ2 TRP 32 2HZ TRP 32 -1.168 -1.813 -8.458 245 HZ3 TRP 32 3HZ TRP 32 -2.211 -3.673 -4.746 246 HH2 TRP 32 HH TRP 32 -1.213 -1.779 -5.976 247 H TRP 33 H TRP 33 -6.288 -8.931 -7.974 248 HA TRP 33 HA TRP 33 -5.173 -11.440 -8.964 249 HB2 TRP 33 2HB TRP 33 -6.661 -12.481 -7.273 250 HB3 TRP 33 1HB TRP 33 -5.669 -11.197 -6.585 251 HD1 TRP 33 HD TRP 33 -6.857 -8.996 -5.795 252 HE1 TRP 33 1HE TRP 33 -9.329 -8.384 -5.395 253 HE3 TRP 33 3HE TRP 33 -9.130 -12.921 -8.144 254 HZ2 TRP 33 2HZ TRP 33 -11.927 -9.421 -5.993 255 HZ3 TRP 33 3HZ TRP 33 -11.600 -13.084 -8.212 256 HH2 TRP 33 HH TRP 33 -13.001 -11.341 -7.140 257 HA PRO 34 HA PRO 34 -8.600 -11.660 -11.936 258 HB2 PRO 34 2HB PRO 34 -7.625 -13.687 -13.454 259 HB3 PRO 34 1HB PRO 34 -7.001 -12.030 -13.571 260 HG2 PRO 34 2HG PRO 34 -5.836 -14.401 -12.221 261 HG3 PRO 34 1HG PRO 34 -5.032 -13.079 -13.083 262 HD2 PRO 34 2HD PRO 34 -5.233 -13.279 -10.310 263 HD3 PRO 34 1HD PRO 34 -4.898 -11.780 -11.203 264 HA PRO 35 HA PRO 35 -11.407 -14.771 -10.522 265 HB2 PRO 35 2HB PRO 35 -11.292 -15.952 -13.272 266 HB3 PRO 35 1HB PRO 35 -12.704 -15.533 -12.284 267 HG2 PRO 35 2HG PRO 35 -11.851 -13.998 -14.319 268 HG3 PRO 35 1HG PRO 35 -12.639 -13.335 -12.879 269 HD2 PRO 35 2HD PRO 35 -9.822 -13.106 -13.720 270 HD3 PRO 35 1HD PRO 35 -10.730 -12.133 -12.542 271 H SER 36 H SER 36 -9.471 -15.683 -9.299 272 HA SER 36 HA SER 36 -8.807 -18.408 -10.339 273 HB2 SER 36 2HB SER 36 -6.965 -16.558 -8.797 274 HB3 SER 36 1HB SER 36 -6.577 -18.193 -9.322 275 HG SER 36 HG SER 36 -7.320 -17.172 -11.488 276 H HIS 37 H HIS 37 -8.627 -20.039 -8.704 277 HA HIS 37 HA HIS 37 -10.446 -19.886 -6.555 278 HB2 HIS 37 2HB HIS 37 -7.986 -21.635 -6.856 279 HB3 HIS 37 1HB HIS 37 -9.253 -21.892 -5.657 280 HD1 HIS 37 1HD HIS 37 -8.543 -22.167 -9.327 281 HD2 HIS 37 2HD HIS 37 -11.737 -22.830 -6.727 282 HE1 HIS 37 1HE HIS 37 -10.287 -23.451 -10.645 283 HE2 HIS 37 2HE HIS 37 -12.235 -23.859 -9.071 284 H VAL 38 H VAL 38 -6.989 -19.118 -6.657 285 HA VAL 38 HA VAL 38 -7.159 -18.245 -3.801 286 HB VAL 38 HB VAL 38 -4.695 -18.766 -5.493 287 HG11 VAL 38 1HG1 VAL 38 -3.557 -18.717 -3.278 288 HG12 VAL 38 2HG1 VAL 38 -5.086 -18.259 -2.527 289 HG13 VAL 38 3HG1 VAL 38 -4.308 -17.172 -3.677 290 HG21 VAL 38 1HG2 VAL 38 -5.979 -20.833 -5.080 291 HG22 VAL 38 2HG2 VAL 38 -6.027 -20.462 -3.356 292 HG23 VAL 38 3HG2 VAL 38 -4.488 -20.827 -4.137 293 H LEU 39 H LEU 39 -6.952 -16.082 -3.354 294 HA LEU 39 HA LEU 39 -5.654 -14.272 -5.270 295 HB2 LEU 39 2HB LEU 39 -7.774 -12.801 -5.289 296 HB3 LEU 39 1HB LEU 39 -7.781 -14.233 -6.318 297 HG LEU 39 HG LEU 39 -8.708 -14.769 -3.581 298 HD11 LEU 39 1HD1 LEU 39 -10.848 -13.636 -3.788 299 HD12 LEU 39 2HD1 LEU 39 -10.408 -13.010 -5.375 300 HD13 LEU 39 3HD1 LEU 39 -9.568 -12.432 -3.937 301 HD21 LEU 39 1HD2 LEU 39 -8.932 -16.388 -5.394 302 HD22 LEU 39 2HD2 LEU 39 -9.837 -15.224 -6.362 303 HD23 LEU 39 3HD2 LEU 39 -10.538 -15.874 -4.880 304 H VAL 40 H VAL 40 -8.184 -13.154 -3.155 305 HA VAL 40 HA VAL 40 -6.101 -12.051 -1.315 306 HB VAL 40 HB VAL 40 -8.920 -11.045 -1.835 307 HG11 VAL 40 1HG1 VAL 40 -8.413 -9.224 -0.447 308 HG12 VAL 40 2HG1 VAL 40 -6.673 -9.489 -0.573 309 HG13 VAL 40 3HG1 VAL 40 -7.659 -10.568 0.410 310 HG21 VAL 40 1HG2 VAL 40 -7.194 -10.900 -3.752 311 HG22 VAL 40 2HG2 VAL 40 -6.349 -9.739 -2.729 312 HG23 VAL 40 3HG2 VAL 40 -7.994 -9.403 -3.269 313 H LYS 41 H LYS 41 -6.274 -12.566 0.874 314 HA LYS 41 HA LYS 41 -7.920 -14.754 1.686 315 HB2 LYS 41 2HB LYS 41 -5.830 -14.010 2.868 316 HB3 LYS 41 1HB LYS 41 -6.729 -12.619 3.469 317 HG2 LYS 41 2HG LYS 41 -8.363 -14.150 4.538 318 HG3 LYS 41 1HG LYS 41 -7.412 -15.527 3.979 319 HD2 LYS 41 2HD LYS 41 -5.448 -14.621 5.238 320 HD3 LYS 41 1HD LYS 41 -6.493 -13.354 5.882 321 HE2 LYS 41 2HE LYS 41 -6.192 -15.395 7.379 322 HE3 LYS 41 1HE LYS 41 -7.862 -14.942 7.036 323 HZ1 LYS 41 1HZ LYS 41 -7.477 -17.328 6.774 324 HZ2 LYS 41 2HZ LYS 41 -6.318 -17.014 5.572 325 HZ3 LYS 41 3HZ LYS 41 -7.947 -16.607 5.313 326 H LYS 42 H LYS 42 -8.305 -11.256 1.892 327 HA LYS 42 HA LYS 42 -11.030 -11.620 3.034 328 HB2 LYS 42 2HB LYS 42 -9.438 -9.946 4.064 329 HB3 LYS 42 1HB LYS 42 -9.501 -9.046 2.549 330 HG2 LYS 42 2HG LYS 42 -11.878 -8.681 2.786 331 HG3 LYS 42 1HG LYS 42 -11.951 -9.755 4.184 332 HD2 LYS 42 2HD LYS 42 -11.927 -7.447 4.965 333 HD3 LYS 42 1HD LYS 42 -10.398 -8.214 5.394 334 HE2 LYS 42 2HE LYS 42 -9.218 -7.093 3.678 335 HE3 LYS 42 1HE LYS 42 -10.700 -6.666 2.821 336 HZ1 LYS 42 1HZ LYS 42 -9.355 -5.255 4.877 337 HZ2 LYS 42 2HZ LYS 42 -10.947 -5.602 5.353 338 HZ3 LYS 42 3HZ LYS 42 -10.656 -4.754 3.911 339 H GLU 43 H GLU 43 -12.828 -11.172 1.749 340 HA GLU 43 HA GLU 43 -12.445 -11.067 -1.101 341 HB2 GLU 43 2HB GLU 43 -14.921 -10.603 0.561 342 HB3 GLU 43 1HB GLU 43 -14.913 -10.803 -1.190 343 HG2 GLU 43 2HG GLU 43 -13.830 -13.033 -0.888 344 HG3 GLU 43 1HG GLU 43 -13.984 -12.837 0.858 345 H ARG 44 H ARG 44 -12.056 -9.320 -2.337 346 HA ARG 44 HA ARG 44 -12.321 -6.617 -1.166 347 HB2 ARG 44 2HB ARG 44 -11.259 -7.537 -3.860 348 HB3 ARG 44 1HB ARG 44 -11.174 -5.888 -3.235 349 HG2 ARG 44 2HG ARG 44 -9.926 -6.802 -1.237 350 HG3 ARG 44 1HG ARG 44 -9.854 -8.352 -2.069 351 HD2 ARG 44 2HD ARG 44 -8.744 -7.183 -4.002 352 HD3 ARG 44 1HD ARG 44 -8.678 -5.727 -3.009 353 HE ARG 44 HE ARG 44 -7.451 -8.199 -1.917 354 HH11 ARG 44 1HH1 ARG 44 -5.307 -7.942 -1.287 355 HH12 ARG 44 2HH1 ARG 44 -4.464 -6.481 -1.687 356 HH21 ARG 44 1HH2 ARG 44 -7.161 -5.045 -3.315 357 HH22 ARG 44 2HH2 ARG 44 -5.513 -4.848 -2.830 358 H ALA 45 H ALA 45 -13.813 -5.094 -1.915 359 HA ALA 45 HA ALA 45 -15.897 -6.157 -3.785 360 HB1 ALA 45 1HB ALA 45 -17.084 -4.081 -2.418 361 HB2 ALA 45 2HB ALA 45 -16.027 -4.783 -1.192 362 HB3 ALA 45 3HB ALA 45 -17.236 -5.786 -1.994 363 H GLY 46 H GLY 46 -14.314 -3.135 -2.724 364 HA2 GLY 46 2HA GLY 46 -14.223 -2.197 -5.499 365 HA3 GLY 46 1HA GLY 46 -15.315 -1.280 -4.466 366 H LEU 47 H LEU 47 -13.341 0.216 -5.410 367 HA LEU 47 HA LEU 47 -11.727 0.755 -3.017 368 HB2 LEU 47 2HB LEU 47 -9.717 0.950 -4.837 369 HB3 LEU 47 1HB LEU 47 -9.981 -0.469 -3.822 370 HG LEU 47 HG LEU 47 -11.361 -1.482 -5.622 371 HD11 LEU 47 1HD1 LEU 47 -11.085 -0.328 -7.916 372 HD12 LEU 47 2HD1 LEU 47 -10.651 1.114 -7.000 373 HD13 LEU 47 3HD1 LEU 47 -12.245 0.388 -6.800 374 HD21 LEU 47 1HD2 LEU 47 -8.655 -0.526 -6.575 375 HD22 LEU 47 2HD2 LEU 47 -9.504 -1.961 -7.141 376 HD23 LEU 47 3HD2 LEU 47 -8.907 -1.879 -5.483 377 H ALA 48 H ALA 48 -11.482 2.945 -2.799 378 HA ALA 48 HA ALA 48 -12.249 4.614 -5.141 379 HB1 ALA 48 1HB ALA 48 -12.086 6.389 -3.098 380 HB2 ALA 48 2HB ALA 48 -12.474 4.925 -2.197 381 HB3 ALA 48 3HB ALA 48 -13.555 5.487 -3.468 382 H PHE 49 H PHE 49 -10.710 5.833 -6.144 383 HA PHE 49 HA PHE 49 -8.144 6.287 -4.702 384 HB2 PHE 49 2HB PHE 49 -8.624 4.676 -7.106 385 HB3 PHE 49 1HB PHE 49 -7.342 5.874 -7.291 386 HD1 PHE 49 1HD PHE 49 -8.441 2.872 -5.475 387 HD2 PHE 49 2HD PHE 49 -5.330 5.793 -5.917 388 HE1 PHE 49 1HE PHE 49 -6.891 1.417 -4.202 389 HE2 PHE 49 2HE PHE 49 -3.777 4.340 -4.649 390 HZ PHE 49 HZ PHE 49 -4.556 2.151 -3.801 391 H GLU 50 H GLU 50 -7.647 8.403 -4.782 392 HA GLU 50 HA GLU 50 -8.430 9.933 -7.226 393 HB2 GLU 50 2HB GLU 50 -9.053 10.445 -4.386 394 HB3 GLU 50 1HB GLU 50 -8.515 11.847 -5.309 395 HG2 GLU 50 2HG GLU 50 -11.025 11.373 -5.258 396 HG3 GLU 50 1HG GLU 50 -10.306 11.637 -6.849 397 HA PRO 51 HA PRO 51 -4.070 11.035 -6.836 398 HB2 PRO 51 2HB PRO 51 -3.827 12.694 -8.927 399 HB3 PRO 51 1HB PRO 51 -4.173 10.968 -9.171 400 HG2 PRO 51 2HG PRO 51 -6.033 13.300 -9.261 401 HG3 PRO 51 1HG PRO 51 -5.944 11.888 -10.328 402 HD2 PRO 51 2HD PRO 51 -7.747 12.141 -8.232 403 HD3 PRO 51 1HD PRO 51 -7.222 10.594 -8.937 404 H PHE 52 H PHE 52 -2.891 12.660 -5.784 405 HA PHE 52 HA PHE 52 -3.006 15.369 -5.860 406 HB2 PHE 52 2HB PHE 52 -4.540 15.886 -3.806 407 HB3 PHE 52 1HB PHE 52 -5.258 15.737 -5.399 408 HD1 PHE 52 1HD PHE 52 -7.402 15.357 -4.112 409 HD2 PHE 52 2HD PHE 52 -4.129 12.574 -3.921 410 HE1 PHE 52 1HE PHE 52 -8.920 13.608 -3.225 411 HE2 PHE 52 2HE PHE 52 -5.662 10.834 -3.057 412 HZ PHE 52 HZ PHE 52 -8.032 11.352 -2.696 413 H VAL 53 H VAL 53 -2.356 16.491 -3.740 414 HA VAL 53 HA VAL 53 -0.390 14.772 -2.383 415 HB VAL 53 HB VAL 53 0.729 16.738 -2.421 416 HG11 VAL 53 1HG1 VAL 53 -1.928 18.119 -2.893 417 HG12 VAL 53 2HG1 VAL 53 -0.829 17.544 -4.149 418 HG13 VAL 53 3HG1 VAL 53 -0.338 18.856 -3.080 419 HG21 VAL 53 1HG2 VAL 53 -1.396 17.776 -0.516 420 HG22 VAL 53 2HG2 VAL 53 0.259 18.356 -0.673 421 HG23 VAL 53 3HG2 VAL 53 -0.046 16.745 -0.032 422 H GLY 54 H GLY 54 -0.533 14.193 -0.150 423 HA2 GLY 54 2HA GLY 54 -1.679 13.761 1.880 424 HA3 GLY 54 1HA GLY 54 -2.564 15.272 1.605 425 H GLY 55 H GLY 55 -2.333 12.760 -0.744 426 HA2 GLY 55 2HA GLY 55 -5.150 12.679 -1.175 427 HA3 GLY 55 1HA GLY 55 -3.949 11.625 -1.918 428 H ARG 56 H ARG 56 -6.201 10.343 -1.468 429 HA ARG 56 HA ARG 56 -5.507 8.617 0.849 430 HB2 ARG 56 2HB ARG 56 -8.170 9.997 0.486 431 HB3 ARG 56 1HB ARG 56 -7.911 8.652 1.595 432 HG2 ARG 56 2HG ARG 56 -6.124 9.988 2.717 433 HG3 ARG 56 1HG ARG 56 -6.521 11.345 1.665 434 HD2 ARG 56 2HD ARG 56 -8.900 11.183 2.518 435 HD3 ARG 56 1HD ARG 56 -8.314 10.028 3.715 436 HE ARG 56 HE ARG 56 -7.362 11.833 4.900 437 HH11 ARG 56 1HH1 ARG 56 -6.870 14.022 5.182 438 HH12 ARG 56 2HH1 ARG 56 -7.033 15.112 3.845 439 HH21 ARG 56 1HH2 ARG 56 -8.107 12.663 1.637 440 HH22 ARG 56 2HH2 ARG 56 -7.734 14.342 1.839 441 H TYR 57 H TYR 57 -5.994 6.492 0.499 442 HA TYR 57 HA TYR 57 -7.632 5.817 -1.913 443 HB2 TYR 57 2HB TYR 57 -5.351 4.164 -0.798 444 HB3 TYR 57 1HB TYR 57 -6.224 3.894 -2.298 445 HD1 TYR 57 1HD TYR 57 -6.318 6.687 -3.421 446 HD2 TYR 57 2HD TYR 57 -3.144 4.540 -1.474 447 HE1 TYR 57 1HE TYR 57 -4.656 8.067 -4.616 448 HE2 TYR 57 2HE TYR 57 -1.479 5.926 -2.676 449 HH TYR 57 HH TYR 57 -1.190 7.397 -4.366 450 H TYR 58 H TYR 58 -9.260 4.298 -1.561 451 HA TYR 58 HA TYR 58 -9.387 3.115 1.190 452 HB2 TYR 58 2HB TYR 58 -11.878 3.807 -0.317 453 HB3 TYR 58 1HB TYR 58 -11.618 3.685 1.420 454 HD1 TYR 58 1HD TYR 58 -11.450 5.637 2.652 455 HD2 TYR 58 2HD TYR 58 -10.414 5.712 -1.519 456 HE1 TYR 58 1HE TYR 58 -11.101 8.087 2.781 457 HE2 TYR 58 2HE TYR 58 -10.060 8.157 -1.387 458 HH TYR 58 HH TYR 58 -11.178 10.069 0.458 459 H GLU 59 H GLU 59 -10.472 1.094 1.357 460 HA GLU 59 HA GLU 59 -10.849 -0.373 -1.231 461 HB2 GLU 59 2HB GLU 59 -8.791 -1.084 -0.003 462 HB3 GLU 59 1HB GLU 59 -9.797 -1.503 1.384 463 HG2 GLU 59 2HG GLU 59 -11.067 -3.085 -0.065 464 HG3 GLU 59 1HG GLU 59 -9.959 -2.717 -1.389 465 H TRP 60 H TRP 60 -12.665 -1.713 -1.315 466 HA TRP 60 HA TRP 60 -14.606 -1.352 0.925 467 HB2 TRP 60 2HB TRP 60 -14.806 -1.471 -1.996 468 HB3 TRP 60 1HB TRP 60 -15.982 -2.498 -1.184 469 HD1 TRP 60 HD TRP 60 -17.120 -1.035 1.084 470 HE1 TRP 60 1HE TRP 60 -18.213 1.297 0.897 471 HE3 TRP 60 3HE TRP 60 -14.987 0.595 -3.259 472 HZ2 TRP 60 2HZ TRP 60 -18.171 3.563 -0.866 473 HZ3 TRP 60 3HZ TRP 60 -15.524 2.834 -4.168 474 HH2 TRP 60 HH TRP 60 -17.110 4.317 -2.979 475 H ASP 61 H ASP 61 -15.192 -3.128 2.101 476 HA ASP 61 HA ASP 61 -14.410 -5.820 1.007 477 HB2 ASP 61 2HB ASP 61 -14.683 -5.030 3.917 478 HB3 ASP 61 1HB ASP 61 -14.086 -6.563 3.293 479 H ILE 62 H ILE 62 -16.039 -7.414 1.082 480 HA ILE 62 HA ILE 62 -18.726 -6.626 0.964 481 HB ILE 62 HB ILE 62 -19.220 -9.088 1.437 482 HG12 ILE 62 2HG1 ILE 62 -17.102 -10.514 1.196 483 HG13 ILE 62 1HG1 ILE 62 -16.217 -9.074 1.664 484 HG21 ILE 62 1HG2 ILE 62 -18.999 -8.250 -0.824 485 HG22 ILE 62 2HG2 ILE 62 -18.164 -9.799 -0.711 486 HG23 ILE 62 3HG2 ILE 62 -17.240 -8.297 -0.704 487 HD11 ILE 62 1HD1 ILE 62 -16.734 -9.368 3.835 488 HD12 ILE 62 2HD1 ILE 62 -17.357 -10.952 3.385 489 HD13 ILE 62 3HD1 ILE 62 -18.445 -9.571 3.469 490 H ASP 63 H ASP 63 -16.794 -7.483 3.770 491 HA ASP 63 HA ASP 63 -19.214 -7.154 5.487 492 HB2 ASP 63 2HB ASP 63 -17.788 -8.096 7.289 493 HB3 ASP 63 1HB ASP 63 -17.948 -9.198 5.922 494 H GLY 64 H GLY 64 -16.165 -5.748 4.614 495 HA2 GLY 64 2HA GLY 64 -16.442 -3.746 6.793 496 HA3 GLY 64 1HA GLY 64 -14.973 -4.007 5.855 497 H THR 65 H THR 65 -17.280 -1.837 6.299 498 HA THR 65 HA THR 65 -18.308 -1.119 3.770 499 HB THR 65 HB THR 65 -17.413 0.889 5.813 500 HG1 THR 65 1HG THR 65 -19.500 0.314 6.825 501 HG21 THR 65 1HG2 THR 65 -20.157 0.937 4.787 502 HG22 THR 65 2HG2 THR 65 -18.945 1.048 3.512 503 HG23 THR 65 3HG2 THR 65 -18.954 2.224 4.827 504 H GLU 66 H GLU 66 -17.219 1.648 3.788 505 HA GLU 66 HA GLU 66 -14.781 1.101 2.186 506 HB2 GLU 66 2HB GLU 66 -16.771 2.680 1.495 507 HB3 GLU 66 1HB GLU 66 -15.999 3.819 2.582 508 HG2 GLU 66 2HG GLU 66 -13.872 3.501 1.339 509 HG3 GLU 66 1HG GLU 66 -14.736 2.485 0.189 510 H ILE 67 H ILE 67 -12.796 1.545 3.058 511 HA ILE 67 HA ILE 67 -12.652 3.464 5.329 512 HB ILE 67 HB ILE 67 -12.860 1.035 6.111 513 HG12 ILE 67 2HG1 ILE 67 -10.839 1.298 7.677 514 HG13 ILE 67 1HG1 ILE 67 -10.518 2.797 6.813 515 HG21 ILE 67 1HG2 ILE 67 -9.974 0.685 5.542 516 HG22 ILE 67 2HG2 ILE 67 -11.055 0.522 4.157 517 HG23 ILE 67 3HG2 ILE 67 -11.270 -0.510 5.569 518 HD11 ILE 67 1HD1 ILE 67 -11.957 2.893 8.983 519 HD12 ILE 67 2HD1 ILE 67 -13.249 2.260 7.963 520 HD13 ILE 67 3HD1 ILE 67 -12.497 3.807 7.576 521 H VAL 68 H VAL 68 -10.538 4.409 5.598 522 HA VAL 68 HA VAL 68 -8.888 4.225 3.128 523 HB VAL 68 HB VAL 68 -9.659 6.474 3.955 524 HG11 VAL 68 1HG1 VAL 68 -7.628 6.217 6.151 525 HG12 VAL 68 2HG1 VAL 68 -9.269 5.629 6.419 526 HG13 VAL 68 3HG1 VAL 68 -8.994 7.325 6.022 527 HG21 VAL 68 1HG2 VAL 68 -7.535 7.556 3.596 528 HG22 VAL 68 2HG2 VAL 68 -7.539 6.093 2.612 529 HG23 VAL 68 3HG2 VAL 68 -6.653 6.128 4.137 530 H TRP 69 H TRP 69 -7.048 3.043 3.203 531 HA TRP 69 HA TRP 69 -5.947 2.360 5.899 532 HB2 TRP 69 2HB TRP 69 -4.773 0.603 4.138 533 HB3 TRP 69 1HB TRP 69 -6.210 0.264 5.103 534 HD1 TRP 69 HD TRP 69 -8.495 0.108 3.897 535 HE1 TRP 69 1HE TRP 69 -9.205 0.154 1.424 536 HE3 TRP 69 3HE TRP 69 -4.148 1.716 1.764 537 HZ2 TRP 69 2HZ TRP 69 -8.072 0.777 -1.131 538 HZ3 TRP 69 3HZ TRP 69 -3.990 2.026 -0.689 539 HH2 TRP 69 HH TRP 69 -5.950 1.559 -2.133 540 H GLY 70 H GLY 70 -5.319 4.499 3.492 541 HA2 GLY 70 2HA GLY 70 -2.496 4.652 4.281 542 HA3 GLY 70 1HA GLY 70 -2.757 4.267 2.583 543 H ARG 71 H ARG 71 -1.436 6.497 2.867 544 HA ARG 71 HA ARG 71 -3.364 8.602 2.104 545 HB2 ARG 71 2HB ARG 71 -2.513 8.610 4.687 546 HB3 ARG 71 1HB ARG 71 -1.213 9.522 3.927 547 HG2 ARG 71 2HG ARG 71 -2.980 10.960 2.829 548 HG3 ARG 71 1HG ARG 71 -4.167 10.152 3.851 549 HD2 ARG 71 2HD ARG 71 -2.862 10.861 5.860 550 HD3 ARG 71 1HD ARG 71 -1.780 11.762 4.799 551 HE ARG 71 HE ARG 71 -4.421 12.614 4.230 552 HH11 ARG 71 1HH1 ARG 71 -5.190 14.528 5.151 553 HH12 ARG 71 2HH1 ARG 71 -4.434 15.151 6.579 554 HH21 ARG 71 1HH2 ARG 71 -2.113 12.584 6.790 555 HH22 ARG 71 2HH2 ARG 71 -2.691 14.051 7.507 556 H ILE 72 H ILE 72 -1.791 10.643 1.546 557 HA ILE 72 HA ILE 72 0.624 9.581 0.183 558 HB ILE 72 HB ILE 72 -1.569 11.271 -1.027 559 HG12 ILE 72 2HG1 ILE 72 -1.149 9.461 -2.864 560 HG13 ILE 72 1HG1 ILE 72 -0.348 8.567 -1.573 561 HG21 ILE 72 1HG2 ILE 72 1.280 10.841 -1.938 562 HG22 ILE 72 2HG2 ILE 72 0.457 12.376 -1.653 563 HG23 ILE 72 3HG2 ILE 72 -0.004 11.369 -3.026 564 HD11 ILE 72 1HD1 ILE 72 -3.198 8.975 -2.046 565 HD12 ILE 72 2HD1 ILE 72 -2.733 9.437 -0.412 566 HD13 ILE 72 3HD1 ILE 72 -2.395 7.812 -0.992 567 H LEU 73 H LEU 73 2.168 11.399 -0.381 568 HA LEU 73 HA LEU 73 1.907 13.625 1.603 569 HB2 LEU 73 2HB LEU 73 4.248 12.016 0.639 570 HB3 LEU 73 1HB LEU 73 4.504 13.657 1.228 571 HG LEU 73 HG LEU 73 2.823 11.801 2.871 572 HD11 LEU 73 1HD1 LEU 73 4.947 10.577 2.211 573 HD12 LEU 73 2HD1 LEU 73 4.744 10.832 3.944 574 HD13 LEU 73 3HD1 LEU 73 5.847 11.856 3.024 575 HD21 LEU 73 1HD2 LEU 73 3.265 13.323 4.538 576 HD22 LEU 73 2HD2 LEU 73 3.556 14.389 3.166 577 HD23 LEU 73 3HD2 LEU 73 4.911 13.609 3.979 578 H GLU 74 H GLU 74 3.329 12.807 -1.551 579 HA GLU 74 HA GLU 74 2.285 15.127 -2.869 580 HB2 GLU 74 2HB GLU 74 3.997 16.236 -1.403 581 HB3 GLU 74 1HB GLU 74 5.241 15.262 -2.194 582 HG2 GLU 74 2HG GLU 74 4.549 16.222 -4.388 583 HG3 GLU 74 1HG GLU 74 3.396 17.256 -3.543 584 H TRP 75 H TRP 75 2.870 15.091 -5.138 585 HA TRP 75 HA TRP 75 4.127 12.512 -5.935 586 HB2 TRP 75 2HB TRP 75 2.899 12.737 -8.026 587 HB3 TRP 75 1HB TRP 75 1.781 12.939 -6.674 588 HD1 TRP 75 HD TRP 75 1.033 15.468 -6.074 589 HE1 TRP 75 1HE TRP 75 0.835 17.555 -7.574 590 HE3 TRP 75 3HE TRP 75 3.857 13.964 -10.055 591 HZ2 TRP 75 2HZ TRP 75 1.753 18.467 -10.126 592 HZ3 TRP 75 3HZ TRP 75 4.179 15.460 -12.005 593 HH2 TRP 75 HH TRP 75 3.130 17.706 -12.045 594 H ASP 76 H ASP 76 6.171 12.658 -6.694 595 HA ASP 76 HA ASP 76 7.081 15.257 -7.814 596 HB2 ASP 76 2HB ASP 76 8.296 13.497 -6.017 597 HB3 ASP 76 1HB ASP 76 9.139 13.210 -7.541 598 HA PRO 77 HA PRO 77 6.403 13.856 -12.005 599 HB2 PRO 77 2HB PRO 77 9.253 14.806 -12.216 600 HB3 PRO 77 1HB PRO 77 7.914 15.029 -13.362 601 HG2 PRO 77 2HG PRO 77 8.626 16.938 -11.617 602 HG3 PRO 77 1HG PRO 77 6.947 16.692 -12.124 603 HD2 PRO 77 2HD PRO 77 8.153 16.225 -9.496 604 HD3 PRO 77 1HD PRO 77 6.430 16.263 -9.938 605 HA PRO 78 HA PRO 78 7.597 9.658 -12.539 606 HB2 PRO 78 2HB PRO 78 9.119 10.677 -14.920 607 HB3 PRO 78 1HB PRO 78 8.053 9.264 -14.788 608 HG2 PRO 78 2HG PRO 78 7.272 11.663 -15.818 609 HG3 PRO 78 1HG PRO 78 6.172 10.492 -15.078 610 HD2 PRO 78 2HD PRO 78 6.880 13.129 -14.110 611 HD3 PRO 78 1HD PRO 78 5.726 11.976 -13.405 612 H HIS 79 H HIS 79 9.030 10.094 -10.567 613 HA HIS 79 HA HIS 79 11.651 9.062 -11.034 614 HB2 HIS 79 2HB HIS 79 11.718 11.616 -11.760 615 HB3 HIS 79 1HB HIS 79 11.858 11.869 -10.019 616 HD1 HIS 79 1HD HIS 79 13.525 9.322 -9.344 617 HD2 HIS 79 2HD HIS 79 14.420 11.956 -12.453 618 HE1 HIS 79 1HE HIS 79 15.991 9.028 -9.844 619 HE2 HIS 79 2HE HIS 79 16.547 10.630 -11.733 620 H ARG 80 H ARG 80 9.681 11.094 -8.801 621 HA ARG 80 HA ARG 80 10.449 9.174 -6.668 622 HB2 ARG 80 2HB ARG 80 12.119 10.962 -6.508 623 HB3 ARG 80 1HB ARG 80 10.833 12.168 -6.420 624 HG2 ARG 80 2HG ARG 80 10.047 11.273 -4.322 625 HG3 ARG 80 1HG ARG 80 11.143 9.894 -4.446 626 HD2 ARG 80 2HD ARG 80 12.164 11.474 -2.947 627 HD3 ARG 80 1HD ARG 80 13.060 11.540 -4.461 628 HE ARG 80 HE ARG 80 12.213 13.731 -4.826 629 HH11 ARG 80 1HH1 ARG 80 11.158 15.588 -4.086 630 HH12 ARG 80 2HH1 ARG 80 10.132 15.488 -2.694 631 HH21 ARG 80 1HH2 ARG 80 10.672 12.097 -2.210 632 HH22 ARG 80 2HH2 ARG 80 9.856 13.512 -1.633 633 H LEU 81 H LEU 81 8.864 8.844 -5.168 634 HA LEU 81 HA LEU 81 6.590 10.751 -5.063 635 HB2 LEU 81 2HB LEU 81 6.386 7.784 -5.564 636 HB3 LEU 81 1HB LEU 81 5.028 8.750 -4.992 637 HG LEU 81 HG LEU 81 6.194 10.118 -7.201 638 HD11 LEU 81 1HD1 LEU 81 7.184 7.966 -7.822 639 HD12 LEU 81 2HD1 LEU 81 5.914 8.418 -8.959 640 HD13 LEU 81 3HD1 LEU 81 5.600 7.201 -7.722 641 HD21 LEU 81 1HD2 LEU 81 3.803 10.096 -6.376 642 HD22 LEU 81 2HD2 LEU 81 3.638 8.499 -7.105 643 HD23 LEU 81 3HD2 LEU 81 3.973 9.901 -8.120 644 H ALA 82 H ALA 82 6.119 11.202 -2.988 645 HA ALA 82 HA ALA 82 7.044 9.289 -0.874 646 HB1 ALA 82 1HB ALA 82 7.996 11.672 -0.908 647 HB2 ALA 82 2HB ALA 82 7.262 11.159 0.610 648 HB3 ALA 82 3HB ALA 82 6.374 12.219 -0.485 649 H MET 83 H MET 83 5.459 8.746 0.800 650 HA MET 83 HA MET 83 2.786 9.927 0.419 651 HB2 MET 83 2HB MET 83 2.105 7.270 0.595 652 HB3 MET 83 1HB MET 83 2.123 8.214 -0.892 653 HG2 MET 83 2HG MET 83 4.478 7.546 -1.279 654 HG3 MET 83 1HG MET 83 4.435 6.578 0.197 655 HE1 MET 83 1HE MET 83 2.769 5.024 0.751 656 HE2 MET 83 2HE MET 83 2.182 3.759 -0.325 657 HE3 MET 83 3HE MET 83 1.241 5.233 -0.115 658 H THR 84 H THR 84 1.476 9.863 2.229 659 HA THR 84 HA THR 84 2.757 8.792 4.699 660 HB THR 84 HB THR 84 0.613 10.868 4.208 661 HG1 THR 84 1HG THR 84 2.625 11.274 6.016 662 HG21 THR 84 1HG2 THR 84 1.302 9.407 6.763 663 HG22 THR 84 2HG2 THR 84 -0.285 9.588 6.015 664 HG23 THR 84 3HG2 THR 84 0.507 10.981 6.753 665 H TRP 85 H TRP 85 1.269 7.574 6.203 666 HA TRP 85 HA TRP 85 -0.796 6.113 4.605 667 HB2 TRP 85 2HB TRP 85 1.248 5.227 6.567 668 HB3 TRP 85 1HB TRP 85 -0.319 4.415 6.638 669 HD1 TRP 85 HD TRP 85 1.446 5.713 3.469 670 HE1 TRP 85 1HE TRP 85 1.809 3.723 1.871 671 HE3 TRP 85 3HE TRP 85 -0.218 1.894 6.424 672 HZ2 TRP 85 2HZ TRP 85 1.441 0.887 1.849 673 HZ3 TRP 85 3HZ TRP 85 -0.201 -0.439 5.590 674 HH2 TRP 85 HH TRP 85 0.626 -0.947 3.309 675 H ARG 86 H ARG 86 -2.872 6.403 5.241 676 HA ARG 86 HA ARG 86 -3.357 7.265 8.074 677 HB2 ARG 86 2HB ARG 86 -4.005 8.953 6.358 678 HB3 ARG 86 1HB ARG 86 -5.084 7.767 5.628 679 HG2 ARG 86 2HG ARG 86 -6.316 7.596 7.777 680 HG3 ARG 86 1HG ARG 86 -5.263 8.836 8.460 681 HD2 ARG 86 2HD ARG 86 -5.992 10.387 6.631 682 HD3 ARG 86 1HD ARG 86 -7.140 9.158 6.101 683 HE ARG 86 HE ARG 86 -7.800 9.459 8.741 684 HH11 ARG 86 1HH1 ARG 86 -9.223 11.032 9.525 685 HH12 ARG 86 2HH1 ARG 86 -9.432 12.508 8.643 686 HH21 ARG 86 1HH2 ARG 86 -7.197 11.639 6.139 687 HH22 ARG 86 2HH2 ARG 86 -8.284 12.852 6.726 688 H ILE 87 H ILE 87 -3.879 5.364 9.116 689 HA ILE 87 HA ILE 87 -6.151 3.815 7.976 690 HB ILE 87 HB ILE 87 -3.932 2.712 7.455 691 HG12 ILE 87 2HG1 ILE 87 -5.379 0.936 9.384 692 HG13 ILE 87 1HG1 ILE 87 -6.281 1.564 8.006 693 HG21 ILE 87 1HG2 ILE 87 -3.840 2.009 10.380 694 HG22 ILE 87 2HG2 ILE 87 -3.044 3.467 9.789 695 HG23 ILE 87 3HG2 ILE 87 -2.562 1.887 9.171 696 HD11 ILE 87 1HD1 ILE 87 -5.282 -0.569 7.380 697 HD12 ILE 87 2HD1 ILE 87 -3.690 -0.007 7.895 698 HD13 ILE 87 3HD1 ILE 87 -4.470 0.721 6.497 699 H ASP 88 H ASP 88 -7.389 2.668 9.598 700 HA ASP 88 HA ASP 88 -7.079 3.869 12.302 701 HB2 ASP 88 2HB ASP 88 -9.393 2.323 11.126 702 HB3 ASP 88 1HB ASP 88 -9.380 3.131 12.689 703 H GLY 89 H GLY 89 -7.392 2.422 14.173 704 HA2 GLY 89 2HA GLY 89 -5.725 0.097 14.022 705 HA3 GLY 89 1HA GLY 89 -6.729 0.536 15.403 706 H HIS 90 H HIS 90 -9.271 0.446 14.238 707 HA HIS 90 HA HIS 90 -9.502 -2.472 13.625 708 HB2 HIS 90 2HB HIS 90 -10.891 -0.704 15.458 709 HB3 HIS 90 1HB HIS 90 -12.032 -1.481 14.363 710 HD1 HIS 90 1HD HIS 90 -10.391 -2.078 17.476 711 HD2 HIS 90 2HD HIS 90 -11.346 -4.467 14.194 712 HE1 HIS 90 1HE HIS 90 -10.309 -4.478 18.289 713 HE2 HIS 90 2HE HIS 90 -10.889 -5.941 16.300 714 H TRP 91 H TRP 91 -8.995 -0.404 11.599 715 HA TRP 91 HA TRP 91 -9.813 0.239 9.490 716 HB2 TRP 91 2HB TRP 91 -11.682 -2.103 9.998 717 HB3 TRP 91 1HB TRP 91 -11.477 -1.292 8.453 718 HD1 TRP 91 HD TRP 91 -9.141 -1.587 7.199 719 HE1 TRP 91 1HE TRP 91 -7.361 -3.440 7.354 720 HE3 TRP 91 3HE TRP 91 -10.489 -3.755 11.613 721 HZ2 TRP 91 2HZ TRP 91 -6.613 -5.580 9.125 722 HZ3 TRP 91 3HZ TRP 91 -9.243 -5.691 12.510 723 HH2 TRP 91 HH TRP 91 -7.302 -6.604 11.271 724 H GLN 92 H GLN 92 -11.025 1.241 12.060 725 HA GLN 92 HA GLN 92 -12.922 3.039 11.050 726 HB2 GLN 92 2HB GLN 92 -14.977 1.978 12.289 727 HB3 GLN 92 1HB GLN 92 -14.594 1.462 10.648 728 HG2 GLN 92 2HG GLN 92 -13.721 -0.564 11.340 729 HG3 GLN 92 1HG GLN 92 -13.337 0.025 12.962 730 HE21 GLN 92 1HE2 GLN 92 -14.742 -2.373 12.806 731 HE22 GLN 92 2HE2 GLN 92 -16.361 -2.140 13.258 732 H SER 93 H SER 93 -10.812 2.250 13.159 733 HA SER 93 HA SER 93 -11.842 2.543 15.767 734 HB2 SER 93 2HB SER 93 -9.440 2.029 14.989 735 HB3 SER 93 1HB SER 93 -9.238 3.776 14.873 736 HG SER 93 HG SER 93 -8.630 2.984 16.930 737 H VAL 94 H VAL 94 -10.392 5.164 13.783 738 HA VAL 94 HA VAL 94 -12.408 7.026 14.903 739 HB VAL 94 HB VAL 94 -10.393 8.651 15.299 740 HG11 VAL 94 1HG1 VAL 94 -10.920 6.281 17.118 741 HG12 VAL 94 2HG1 VAL 94 -11.845 7.781 17.085 742 HG13 VAL 94 3HG1 VAL 94 -10.163 7.794 17.613 743 HG21 VAL 94 1HG2 VAL 94 -8.279 7.760 15.467 744 HG22 VAL 94 2HG2 VAL 94 -8.929 6.631 14.278 745 HG23 VAL 94 3HG2 VAL 94 -8.874 6.181 15.983 746 HA PRO 95 HA PRO 95 -12.333 8.719 10.823 747 HB2 PRO 95 2HB PRO 95 -12.478 11.445 11.424 748 HB3 PRO 95 1HB PRO 95 -13.863 10.348 11.292 749 HG2 PRO 95 2HG PRO 95 -12.469 11.353 13.707 750 HG3 PRO 95 1HG PRO 95 -14.180 10.968 13.463 751 HD2 PRO 95 2HD PRO 95 -12.511 9.329 14.846 752 HD3 PRO 95 1HD PRO 95 -13.874 8.707 13.889 753 H ASP 96 H ASP 96 -10.223 10.307 13.193 754 HA ASP 96 HA ASP 96 -8.266 10.853 11.001 755 HB2 ASP 96 2HB ASP 96 -8.569 12.103 13.738 756 HB3 ASP 96 1HB ASP 96 -7.246 12.460 12.628 757 H ASP 97 H ASP 97 -6.106 10.112 11.288 758 HA ASP 97 HA ASP 97 -5.819 8.029 13.392 759 HB2 ASP 97 2HB ASP 97 -4.385 8.456 10.762 760 HB3 ASP 97 1HB ASP 97 -3.983 7.195 11.927 761 H ASP 98 H ASP 98 -4.640 8.646 15.114 762 HA ASP 98 HA ASP 98 -2.726 10.871 14.872 763 HB2 ASP 98 2HB ASP 98 -3.704 9.247 17.228 764 HB3 ASP 98 1HB ASP 98 -2.522 10.545 17.357 765 H ARG 99 H ARG 99 -2.779 7.540 14.559 766 HA ARG 99 HA ARG 99 0.055 7.222 15.382 767 HB2 ARG 99 2HB ARG 99 -1.357 4.828 14.465 768 HB3 ARG 99 1HB ARG 99 -0.500 5.113 15.980 769 HG2 ARG 99 2HG ARG 99 -2.469 6.445 16.780 770 HG3 ARG 99 1HG ARG 99 -3.331 5.964 15.317 771 HD2 ARG 99 2HD ARG 99 -2.884 3.555 15.966 772 HD3 ARG 99 1HD ARG 99 -2.293 4.158 17.516 773 HE ARG 99 HE ARG 99 -4.798 5.320 17.260 774 HH11 ARG 99 1HH1 ARG 99 -6.673 4.335 18.047 775 HH12 ARG 99 2HH1 ARG 99 -6.716 2.615 18.240 776 HH21 ARG 99 1HH2 ARG 99 -3.474 2.141 17.103 777 HH22 ARG 99 2HH2 ARG 99 -4.905 1.372 17.705 778 H ALA 100 H ALA 100 -0.787 8.610 12.925 779 HA ALA 100 HA ALA 100 -0.220 6.708 10.754 780 HB1 ALA 100 1HB ALA 100 -0.502 9.722 10.598 781 HB2 ALA 100 2HB ALA 100 -1.865 8.606 10.524 782 HB3 ALA 100 3HB ALA 100 -0.629 8.571 9.267 783 H SER 101 H SER 101 1.656 6.726 9.491 784 HA SER 101 HA SER 101 3.938 8.338 10.562 785 HB2 SER 101 2HB SER 101 5.404 6.456 10.115 786 HB3 SER 101 1HB SER 101 4.068 5.892 11.114 787 HG SER 101 HG SER 101 3.518 4.615 9.547 788 H GLU 102 H GLU 102 5.750 8.475 8.832 789 HA GLU 102 HA GLU 102 4.445 9.042 6.208 790 HB2 GLU 102 2HB GLU 102 7.008 10.150 7.388 791 HB3 GLU 102 1HB GLU 102 6.323 10.601 5.827 792 HG2 GLU 102 2HG GLU 102 4.261 11.375 6.986 793 HG3 GLU 102 1HG GLU 102 5.015 10.996 8.534 794 H ILE 103 H ILE 103 5.307 8.174 4.330 795 HA ILE 103 HA ILE 103 7.570 6.247 4.684 796 HB ILE 103 HB ILE 103 5.228 6.038 2.765 797 HG12 ILE 103 2HG1 ILE 103 5.823 4.445 5.277 798 HG13 ILE 103 1HG1 ILE 103 4.612 5.725 5.166 799 HG21 ILE 103 1HG2 ILE 103 6.844 3.663 3.413 800 HG22 ILE 103 2HG2 ILE 103 7.733 4.911 2.542 801 HG23 ILE 103 3HG2 ILE 103 6.261 4.233 1.850 802 HD11 ILE 103 1HD1 ILE 103 4.630 3.027 3.832 803 HD12 ILE 103 2HD1 ILE 103 3.705 4.359 3.136 804 HD13 ILE 103 3HD1 ILE 103 3.344 3.789 4.768 805 H GLU 104 H GLU 104 9.189 6.323 3.142 806 HA GLU 104 HA GLU 104 8.946 8.498 1.096 807 HB2 GLU 104 2HB GLU 104 11.434 7.300 2.360 808 HB3 GLU 104 1HB GLU 104 11.417 8.589 1.157 809 HG2 GLU 104 2HG GLU 104 10.075 9.990 2.717 810 HG3 GLU 104 1HG GLU 104 10.194 8.715 3.929 811 H VAL 105 H VAL 105 8.808 7.766 -0.973 812 HA VAL 105 HA VAL 105 10.042 5.129 -1.603 813 HB VAL 105 HB VAL 105 7.400 6.110 -2.695 814 HG11 VAL 105 1HG1 VAL 105 7.195 3.838 -3.540 815 HG12 VAL 105 2HG1 VAL 105 8.691 3.366 -2.733 816 HG13 VAL 105 3HG1 VAL 105 8.737 4.502 -4.081 817 HG21 VAL 105 1HG2 VAL 105 6.704 5.620 -0.565 818 HG22 VAL 105 2HG2 VAL 105 8.110 4.609 -0.230 819 HG23 VAL 105 3HG2 VAL 105 6.765 3.966 -1.171 820 H ASP 106 H ASP 106 11.237 5.105 -3.467 821 HA ASP 106 HA ASP 106 11.083 7.539 -5.207 822 HB2 ASP 106 2HB ASP 106 13.461 5.762 -4.576 823 HB3 ASP 106 1HB ASP 106 13.478 7.092 -5.738 824 H PHE 107 H PHE 107 10.615 7.145 -7.339 825 HA PHE 107 HA PHE 107 10.621 4.299 -8.241 826 HB2 PHE 107 2HB PHE 107 8.920 6.665 -9.067 827 HB3 PHE 107 1HB PHE 107 8.921 5.122 -9.911 828 HD1 PHE 107 1HD PHE 107 8.485 6.572 -6.486 829 HD2 PHE 107 2HD PHE 107 7.498 3.405 -9.214 830 HE1 PHE 107 1HE PHE 107 6.847 5.673 -4.855 831 HE2 PHE 107 2HE PHE 107 5.867 2.504 -7.579 832 HZ PHE 107 HZ PHE 107 5.539 3.638 -5.400 833 H VAL 108 H VAL 108 11.888 3.798 -9.992 834 HA VAL 108 HA VAL 108 13.113 6.070 -11.505 835 HB VAL 108 HB VAL 108 14.495 3.434 -11.232 836 HG11 VAL 108 1HG1 VAL 108 16.472 4.818 -11.505 837 HG12 VAL 108 2HG1 VAL 108 15.510 6.287 -11.340 838 HG13 VAL 108 3HG1 VAL 108 15.305 5.252 -12.754 839 HG21 VAL 108 1HG2 VAL 108 15.617 4.303 -9.179 840 HG22 VAL 108 2HG2 VAL 108 13.896 4.012 -8.928 841 HG23 VAL 108 3HG2 VAL 108 14.486 5.656 -9.166 842 HA PRO 109 HA PRO 109 11.038 3.676 -14.766 843 HB2 PRO 109 2HB PRO 109 11.359 5.454 -16.791 844 HB3 PRO 109 1HB PRO 109 10.152 5.679 -15.512 845 HG2 PRO 109 2HG PRO 109 12.808 6.956 -15.853 846 HG3 PRO 109 1HG PRO 109 11.289 7.646 -15.262 847 HD2 PRO 109 2HD PRO 109 13.363 6.839 -13.621 848 HD3 PRO 109 1HD PRO 109 11.666 6.954 -13.100 849 H ASN 110 H ASN 110 11.923 2.087 -15.933 850 HA ASN 110 HA ASN 110 14.600 2.526 -17.165 851 HB2 ASN 110 2HB ASN 110 14.500 0.863 -15.233 852 HB3 ASN 110 1HB ASN 110 13.497 -0.139 -16.280 853 HD21 ASN 110 1HD2 ASN 110 15.773 -1.409 -15.658 854 HD22 ASN 110 2HD2 ASN 110 16.927 -1.324 -16.899 855 H GLY 111 H GLY 111 14.815 1.782 -19.328 856 HA2 GLY 111 2HA GLY 111 12.381 1.730 -20.863 857 HA3 GLY 111 1HA GLY 111 13.990 1.374 -21.494 858 H SER 112 H SER 112 12.254 -0.217 -22.596 859 HA SER 112 HA SER 112 11.702 -2.476 -22.915 860 HB2 SER 112 2HB SER 112 14.183 -2.552 -21.870 861 HB3 SER 112 1HB SER 112 13.304 -3.356 -20.573 862 HG SER 112 HG SER 112 13.898 -4.901 -22.060 863 H GLY 113 H GLY 113 10.588 -0.643 -20.587 864 HA2 GLY 113 2HA GLY 113 8.701 -0.902 -19.193 865 HA3 GLY 113 1HA GLY 113 8.614 -2.591 -19.706 866 H GLY 114 H GLY 114 10.649 -0.443 -17.687 867 HA2 GLY 114 2HA GLY 114 10.664 -2.535 -15.611 868 HA3 GLY 114 1HA GLY 114 12.228 -2.042 -16.244 869 H THR 115 H THR 115 10.676 -1.681 -13.580 870 HA THR 115 HA THR 115 11.487 1.161 -13.274 871 HB THR 115 HB THR 115 8.808 -0.024 -12.605 872 HG1 THR 115 1HG THR 115 9.779 2.368 -13.762 873 HG21 THR 115 1HG2 THR 115 9.372 0.807 -10.480 874 HG22 THR 115 2HG2 THR 115 8.532 2.161 -11.234 875 HG23 THR 115 3HG2 THR 115 10.293 2.153 -11.150 876 H ARG 116 H ARG 116 12.671 1.490 -11.447 877 HA ARG 116 HA ARG 116 12.893 -0.797 -9.544 878 HB2 ARG 116 2HB ARG 116 14.992 0.081 -10.617 879 HB3 ARG 116 1HB ARG 116 14.691 1.635 -9.835 880 HG2 ARG 116 2HG ARG 116 14.703 0.475 -7.623 881 HG3 ARG 116 1HG ARG 116 15.137 -1.023 -8.446 882 HD2 ARG 116 2HD ARG 116 16.750 1.544 -8.498 883 HD3 ARG 116 1HD ARG 116 17.146 0.103 -7.562 884 HE ARG 116 HE ARG 116 17.587 0.456 -10.418 885 HH11 ARG 116 1HH1 ARG 116 18.513 -1.307 -11.488 886 HH12 ARG 116 2HH1 ARG 116 18.535 -2.858 -10.717 887 HH21 ARG 116 1HH2 ARG 116 16.934 -1.746 -7.848 888 HH22 ARG 116 2HH2 ARG 116 17.640 -3.106 -8.656 889 H VAL 117 H VAL 117 11.954 -0.551 -7.550 890 HA VAL 117 HA VAL 117 11.296 2.241 -6.691 891 HB VAL 117 HB VAL 117 9.642 -0.244 -6.222 892 HG11 VAL 117 1HG1 VAL 117 7.977 1.361 -5.367 893 HG12 VAL 117 2HG1 VAL 117 9.109 2.685 -5.647 894 HG13 VAL 117 3HG1 VAL 117 9.474 1.454 -4.436 895 HG21 VAL 117 1HG2 VAL 117 9.751 1.703 -8.412 896 HG22 VAL 117 2HG2 VAL 117 8.147 1.547 -7.699 897 HG23 VAL 117 3HG2 VAL 117 8.963 0.126 -8.349 898 H GLU 118 H GLU 118 11.771 2.775 -4.630 899 HA GLU 118 HA GLU 118 12.804 0.606 -2.839 900 HB2 GLU 118 2HB GLU 118 13.640 3.533 -2.915 901 HB3 GLU 118 1HB GLU 118 14.306 2.293 -1.855 902 HG2 GLU 118 2HG GLU 118 15.115 1.048 -3.834 903 HG3 GLU 118 1HG GLU 118 14.480 2.315 -4.882 904 H LEU 119 H LEU 119 10.994 0.283 -1.540 905 HA LEU 119 HA LEU 119 9.616 2.713 -0.506 906 HB2 LEU 119 2HB LEU 119 8.278 0.952 -1.716 907 HB3 LEU 119 1HB LEU 119 8.659 -0.155 -0.411 908 HG LEU 119 HG LEU 119 7.543 2.487 0.385 909 HD11 LEU 119 1HD1 LEU 119 5.251 1.806 -0.093 910 HD12 LEU 119 2HD1 LEU 119 5.816 0.284 -0.782 911 HD13 LEU 119 3HD1 LEU 119 6.171 1.806 -1.597 912 HD21 LEU 119 1HD2 LEU 119 7.138 -0.394 1.252 913 HD22 LEU 119 2HD2 LEU 119 6.309 0.981 1.979 914 HD23 LEU 119 3HD2 LEU 119 8.061 0.846 2.101 915 H ALA 120 H ALA 120 9.898 3.270 1.578 916 HA ALA 120 HA ALA 120 10.821 1.177 3.502 917 HB1 ALA 120 1HB ALA 120 12.444 3.192 2.550 918 HB2 ALA 120 2HB ALA 120 12.662 2.366 4.093 919 HB3 ALA 120 3HB ALA 120 11.797 3.901 4.029 920 H HIS 121 H HIS 121 9.651 1.181 5.379 921 HA HIS 121 HA HIS 121 7.824 3.504 5.864 922 HB2 HIS 121 2HB HIS 121 6.174 2.045 6.595 923 HB3 HIS 121 1HB HIS 121 6.965 1.022 5.399 924 HD1 HIS 121 1HD HIS 121 5.715 0.721 8.650 925 HD2 HIS 121 2HD HIS 121 9.363 -0.343 6.935 926 HE1 HIS 121 1HE HIS 121 6.746 -1.021 10.185 927 HE2 HIS 121 2HE HIS 121 8.963 -1.680 9.141 928 H VAL 122 H VAL 122 8.021 4.524 7.860 929 HA VAL 122 HA VAL 122 9.766 3.183 9.877 930 HB VAL 122 HB VAL 122 10.802 5.413 10.335 931 HG11 VAL 122 1HG1 VAL 122 11.228 3.635 8.119 932 HG12 VAL 122 2HG1 VAL 122 12.419 4.570 9.023 933 HG13 VAL 122 3HG1 VAL 122 11.622 5.280 7.618 934 HG21 VAL 122 1HG2 VAL 122 10.240 6.602 7.781 935 HG22 VAL 122 2HG2 VAL 122 9.923 7.259 9.387 936 HG23 VAL 122 3HG2 VAL 122 8.709 6.258 8.588 937 H LYS 123 H LYS 123 9.419 3.763 12.027 938 HA LYS 123 HA LYS 123 8.128 4.316 13.891 939 HB2 LYS 123 2HB LYS 123 7.022 6.587 12.244 940 HB3 LYS 123 1HB LYS 123 7.338 6.539 13.981 941 HG2 LYS 123 2HG LYS 123 9.373 6.604 11.741 942 HG3 LYS 123 1HG LYS 123 9.121 7.814 13.000 943 HD2 LYS 123 2HD LYS 123 9.712 6.011 14.693 944 HD3 LYS 123 1HD LYS 123 10.219 5.009 13.331 945 HE2 LYS 123 2HE LYS 123 12.205 6.096 14.042 946 HE3 LYS 123 1HE LYS 123 11.681 7.002 12.622 947 HZ1 LYS 123 1HZ LYS 123 12.289 8.458 14.468 948 HZ2 LYS 123 2HZ LYS 123 11.094 7.741 15.439 949 HZ3 LYS 123 3HZ LYS 123 10.652 8.628 14.059 950 H LEU 124 H LEU 124 6.977 2.534 11.844 951 HA LEU 124 HA LEU 124 4.158 3.165 11.599 952 HB2 LEU 124 2HB LEU 124 5.613 1.540 10.194 953 HB3 LEU 124 1HB LEU 124 5.304 0.394 11.494 954 HG LEU 124 HG LEU 124 2.825 0.970 11.216 955 HD11 LEU 124 1HD1 LEU 124 3.943 2.817 9.358 956 HD12 LEU 124 2HD1 LEU 124 2.239 2.532 9.707 957 HD13 LEU 124 3HD1 LEU 124 3.040 1.622 8.427 958 HD21 LEU 124 1HD2 LEU 124 3.000 -0.314 8.804 959 HD22 LEU 124 2HD2 LEU 124 3.130 -1.114 10.370 960 HD23 LEU 124 3HD2 LEU 124 4.588 -0.644 9.497 961 H HIS 125 H HIS 125 6.149 1.208 13.751 962 HA HIS 125 HA HIS 125 4.295 -0.173 15.268 963 HB2 HIS 125 2HB HIS 125 6.685 -0.341 15.694 964 HB3 HIS 125 1HB HIS 125 6.716 1.319 16.283 965 HD1 HIS 125 1HD HIS 125 4.584 -1.758 17.081 966 HD2 HIS 125 2HD HIS 125 6.630 1.307 19.035 967 HE1 HIS 125 1HE HIS 125 4.242 -2.136 19.564 968 HE2 HIS 125 2HE HIS 125 5.484 -0.277 20.762 969 H ARG 126 H ARG 126 4.521 3.229 15.000 970 HA ARG 126 HA ARG 126 3.616 4.142 17.478 971 HB2 ARG 126 2HB ARG 126 2.892 5.059 14.701 972 HB3 ARG 126 1HB ARG 126 2.357 5.910 16.148 973 HG2 ARG 126 2HG ARG 126 4.722 6.117 16.867 974 HG3 ARG 126 1HG ARG 126 5.232 5.349 15.368 975 HD2 ARG 126 2HD ARG 126 4.038 7.172 14.109 976 HD3 ARG 126 1HD ARG 126 3.747 7.975 15.652 977 HE ARG 126 HE ARG 126 6.502 7.524 15.581 978 HH11 ARG 126 1HH1 ARG 126 7.930 9.091 14.795 979 HH12 ARG 126 2HH1 ARG 126 7.355 10.293 13.689 980 HH21 ARG 126 1HH2 ARG 126 4.105 9.082 13.653 981 HH22 ARG 126 2HH2 ARG 126 5.189 10.288 13.043 982 H HIS 127 H HIS 127 1.772 2.377 15.022 983 HA HIS 127 HA HIS 127 -0.743 2.890 16.434 984 HB2 HIS 127 2HB HIS 127 -1.646 1.130 14.835 985 HB3 HIS 127 1HB HIS 127 -1.005 2.586 14.092 986 HD1 HIS 127 1HD HIS 127 1.887 0.850 15.152 987 HD2 HIS 127 2HD HIS 127 -0.790 0.300 12.003 988 HE1 HIS 127 1HE HIS 127 3.085 -0.562 13.419 989 HE2 HIS 127 2HE HIS 127 1.464 -0.908 11.506 990 H GLY 128 H GLY 128 1.633 0.291 16.297 991 HA2 GLY 128 2HA GLY 128 1.562 -1.862 17.344 992 HA3 GLY 128 1HA GLY 128 1.463 -0.800 18.748 993 H ASP 129 H ASP 129 0.149 -2.286 19.926 994 HA ASP 129 HA ASP 129 -1.861 -3.316 20.580 995 HB2 ASP 129 2HB ASP 129 -2.918 -0.947 19.008 996 HB3 ASP 129 1HB ASP 129 -3.902 -1.961 20.064 997 H GLY 130 H GLY 130 -0.802 -4.710 18.487 998 HA2 GLY 130 2HA GLY 130 -1.575 -6.383 16.992 999 HA3 GLY 130 1HA GLY 130 -3.211 -5.732 17.170 1000 H ALA 131 H ALA 131 -0.347 -3.894 16.288 1001 HA ALA 131 HA ALA 131 -1.551 -2.466 14.175 1002 HB1 ALA 131 1HB ALA 131 0.430 -1.487 14.762 1003 HB2 ALA 131 2HB ALA 131 1.033 -2.460 13.421 1004 HB3 ALA 131 3HB ALA 131 1.223 -3.029 15.077 1005 H TRP 132 H TRP 132 0.478 -5.428 14.019 1006 HA TRP 132 HA TRP 132 0.436 -5.671 11.195 1007 HB2 TRP 132 2HB TRP 132 1.862 -7.055 12.732 1008 HB3 TRP 132 1HB TRP 132 0.421 -7.983 13.156 1009 HD1 TRP 132 HD TRP 132 -0.688 -9.478 11.252 1010 HE1 TRP 132 1HE TRP 132 0.269 -10.462 9.072 1011 HE3 TRP 132 3HE TRP 132 3.562 -6.651 10.776 1012 HZ2 TRP 132 2HZ TRP 132 2.523 -10.105 7.362 1013 HZ3 TRP 132 3HZ TRP 132 5.087 -7.007 8.862 1014 HH2 TRP 132 HH TRP 132 4.576 -8.730 7.154 1015 H ASN 133 H ASN 133 -1.967 -6.510 13.628 1016 HA ASN 133 HA ASN 133 -3.673 -8.164 12.079 1017 HB2 ASN 133 2HB ASN 133 -3.927 -7.472 14.543 1018 HB3 ASN 133 1HB ASN 133 -4.658 -5.987 13.938 1019 HD21 ASN 133 1HD2 ASN 133 -4.997 -9.563 13.572 1020 HD22 ASN 133 2HD2 ASN 133 -6.684 -9.527 13.386 1021 H ILE 134 H ILE 134 -3.378 -4.650 12.280 1022 HA ILE 134 HA ILE 134 -5.482 -3.949 10.498 1023 HB ILE 134 HB ILE 134 -2.805 -2.588 10.880 1024 HG12 ILE 134 2HG1 ILE 134 -5.408 -2.106 12.356 1025 HG13 ILE 134 1HG1 ILE 134 -4.076 -3.064 13.010 1026 HG21 ILE 134 1HG2 ILE 134 -3.864 -0.627 10.072 1027 HG22 ILE 134 2HG2 ILE 134 -5.466 -1.357 10.189 1028 HG23 ILE 134 3HG2 ILE 134 -4.335 -1.906 8.953 1029 HD11 ILE 134 1HD1 ILE 134 -2.612 -0.983 12.496 1030 HD12 ILE 134 2HD1 ILE 134 -3.684 -0.914 13.893 1031 HD13 ILE 134 3HD1 ILE 134 -4.142 -0.114 12.389 1032 H HIS 135 H HIS 135 -2.049 -4.665 10.014 1033 HA HIS 135 HA HIS 135 -2.010 -4.403 7.164 1034 HB2 HIS 135 2HB HIS 135 0.086 -4.432 8.356 1035 HB3 HIS 135 1HB HIS 135 -0.288 -5.993 9.082 1036 HD1 HIS 135 1HD HIS 135 -1.358 -5.964 5.635 1037 HD2 HIS 135 2HD HIS 135 2.227 -6.710 7.616 1038 HE1 HIS 135 1HE HIS 135 0.104 -7.198 3.986 1039 HE2 HIS 135 2HE HIS 135 2.307 -7.657 5.178 1040 H LYS 136 H LYS 136 -2.914 -7.027 9.342 1041 HA LYS 136 HA LYS 136 -2.898 -9.190 7.551 1042 HB2 LYS 136 2HB LYS 136 -3.544 -9.276 10.003 1043 HB3 LYS 136 1HB LYS 136 -5.117 -8.656 9.527 1044 HG2 LYS 136 2HG LYS 136 -5.406 -10.570 8.006 1045 HG3 LYS 136 1HG LYS 136 -3.854 -11.208 8.537 1046 HD2 LYS 136 2HD LYS 136 -4.729 -11.253 10.882 1047 HD3 LYS 136 1HD LYS 136 -6.305 -10.759 10.260 1048 HE2 LYS 136 2HE LYS 136 -4.996 -13.128 8.996 1049 HE3 LYS 136 1HE LYS 136 -5.692 -13.335 10.602 1050 HZ1 LYS 136 1HZ LYS 136 -7.781 -12.453 9.772 1051 HZ2 LYS 136 2HZ LYS 136 -7.307 -13.816 8.876 1052 HZ3 LYS 136 3HZ LYS 136 -7.112 -12.258 8.227 1053 H ALA 137 H ALA 137 -5.198 -6.521 7.882 1054 HA ALA 137 HA ALA 137 -7.123 -7.558 5.996 1055 HB1 ALA 137 1HB ALA 137 -6.450 -4.810 7.012 1056 HB2 ALA 137 2HB ALA 137 -7.930 -5.741 7.249 1057 HB3 ALA 137 3HB ALA 137 -7.592 -5.005 5.683 1058 H LEU 138 H LEU 138 -4.279 -5.437 5.673 1059 HA LEU 138 HA LEU 138 -4.553 -5.085 2.826 1060 HB2 LEU 138 2HB LEU 138 -2.149 -4.863 4.654 1061 HB3 LEU 138 1HB LEU 138 -2.110 -4.454 2.944 1062 HG LEU 138 HG LEU 138 -3.987 -3.212 4.975 1063 HD11 LEU 138 1HD1 LEU 138 -1.369 -2.299 3.767 1064 HD12 LEU 138 2HD1 LEU 138 -1.800 -2.402 5.473 1065 HD13 LEU 138 3HD1 LEU 138 -2.531 -1.163 4.452 1066 HD21 LEU 138 1HD2 LEU 138 -3.639 -3.029 2.015 1067 HD22 LEU 138 2HD2 LEU 138 -3.968 -1.526 2.875 1068 HD23 LEU 138 3HD2 LEU 138 -5.104 -2.870 2.984 1069 H ASP 139 H ASP 139 -3.468 -7.682 4.798 1070 HA ASP 139 HA ASP 139 -2.715 -9.814 4.288 1071 HB2 ASP 139 2HB ASP 139 -3.829 -8.978 1.623 1072 HB3 ASP 139 1HB ASP 139 -3.069 -10.545 1.856 1073 H GLY 140 H GLY 140 -0.577 -9.908 4.582 1074 HA2 GLY 140 2HA GLY 140 1.170 -9.262 2.250 1075 HA3 GLY 140 1HA GLY 140 1.658 -8.811 3.885 1076 HA PRO 141 HA PRO 141 1.399 -13.754 3.628 1077 HB2 PRO 141 2HB PRO 141 2.088 -13.926 0.736 1078 HB3 PRO 141 1HB PRO 141 0.991 -14.935 1.697 1079 HG2 PRO 141 2HG PRO 141 0.079 -13.121 -0.029 1080 HG3 PRO 141 1HG PRO 141 -0.753 -13.463 1.496 1081 HD2 PRO 141 2HD PRO 141 0.904 -11.096 0.750 1082 HD3 PRO 141 1HD PRO 141 -0.482 -11.206 1.855 1083 H SER 142 H SER 142 3.303 -14.808 4.176 1084 HA SER 142 HA SER 142 5.795 -13.472 4.084 1085 HB2 SER 142 2HB SER 142 4.810 -15.962 5.059 1086 HB3 SER 142 1HB SER 142 6.248 -16.303 4.101 1087 HG SER 142 HG SER 142 7.416 -14.940 5.379 1088 HA PRO 143 HA PRO 143 6.819 -15.955 0.150 1089 HB2 PRO 143 2HB PRO 143 4.948 -17.568 -0.970 1090 HB3 PRO 143 1HB PRO 143 5.978 -18.097 0.375 1091 HG2 PRO 143 2HG PRO 143 3.126 -17.344 0.367 1092 HG3 PRO 143 1HG PRO 143 4.004 -18.456 1.429 1093 HD2 PRO 143 2HD PRO 143 3.251 -15.784 2.024 1094 HD3 PRO 143 1HD PRO 143 4.318 -16.827 2.987 1095 H GLY 144 H GLY 144 3.286 -15.630 -0.363 1096 HA2 GLY 144 2HA GLY 144 3.667 -14.215 -2.874 1097 HA3 GLY 144 1HA GLY 144 2.124 -14.447 -2.041 1098 H GLU 145 H GLU 145 5.145 -12.929 -0.977 1099 HA GLU 145 HA GLU 145 4.053 -10.905 0.573 1100 HB2 GLU 145 2HB GLU 145 6.497 -10.593 -1.171 1101 HB3 GLU 145 1HB GLU 145 6.141 -9.728 0.318 1102 HG2 GLU 145 2HG GLU 145 6.143 -11.902 1.541 1103 HG3 GLU 145 1HG GLU 145 6.646 -12.698 0.050 1104 H THR 146 H THR 146 4.509 -8.422 -0.162 1105 HA THR 146 HA THR 146 2.375 -7.706 -1.870 1106 HB THR 146 HB THR 146 4.823 -6.000 -1.449 1107 HG1 THR 146 1HG THR 146 4.335 -5.834 0.576 1108 HG21 THR 146 1HG2 THR 146 3.041 -4.215 -1.384 1109 HG22 THR 146 2HG2 THR 146 1.878 -5.456 -1.854 1110 HG23 THR 146 3HG2 THR 146 3.203 -5.033 -2.938 1111 H LEU 147 H LEU 147 5.847 -7.991 -2.581 1112 HA LEU 147 HA LEU 147 5.743 -7.021 -5.244 1113 HB2 LEU 147 2HB LEU 147 7.581 -9.182 -4.182 1114 HB3 LEU 147 1HB LEU 147 7.878 -8.116 -5.552 1115 HG LEU 147 HG LEU 147 7.252 -6.444 -3.349 1116 HD11 LEU 147 1HD1 LEU 147 7.866 -8.545 -2.029 1117 HD12 LEU 147 2HD1 LEU 147 8.791 -7.093 -1.647 1118 HD13 LEU 147 3HD1 LEU 147 9.498 -8.346 -2.667 1119 HD21 LEU 147 1HD2 LEU 147 9.960 -7.086 -4.547 1120 HD22 LEU 147 2HD2 LEU 147 9.494 -5.584 -3.750 1121 HD23 LEU 147 3HD2 LEU 147 8.783 -6.017 -5.306 1122 H ALA 148 H ALA 148 5.057 -10.221 -3.922 1123 HA ALA 148 HA ALA 148 5.055 -11.621 -6.410 1124 HB1 ALA 148 1HB ALA 148 4.476 -12.202 -3.686 1125 HB2 ALA 148 2HB ALA 148 4.745 -13.338 -5.010 1126 HB3 ALA 148 3HB ALA 148 3.114 -12.762 -4.660 1127 H ARG 149 H ARG 149 2.273 -10.291 -4.579 1128 HA ARG 149 HA ARG 149 0.426 -11.033 -6.660 1129 HB2 ARG 149 2HB ARG 149 -1.178 -9.591 -5.357 1130 HB3 ARG 149 1HB ARG 149 -0.407 -10.872 -4.429 1131 HG2 ARG 149 2HG ARG 149 0.248 -9.289 -2.967 1132 HG3 ARG 149 1HG ARG 149 1.339 -8.691 -4.211 1133 HD2 ARG 149 2HD ARG 149 0.037 -6.800 -3.614 1134 HD3 ARG 149 1HD ARG 149 -0.691 -7.378 -5.113 1135 HE ARG 149 HE ARG 149 -2.626 -7.964 -3.886 1136 HH11 ARG 149 1HH1 ARG 149 -3.828 -8.093 -1.977 1137 HH12 ARG 149 2HH1 ARG 149 -3.034 -7.879 -0.453 1138 HH21 ARG 149 1HH2 ARG 149 0.098 -7.384 -1.855 1139 HH22 ARG 149 2HH2 ARG 149 -0.811 -7.477 -0.384 1140 H PHE 150 H PHE 150 1.533 -7.753 -5.646 1141 HA PHE 150 HA PHE 150 0.185 -6.553 -7.915 1142 HB2 PHE 150 2HB PHE 150 0.414 -4.695 -6.697 1143 HB3 PHE 150 1HB PHE 150 1.286 -5.644 -5.491 1144 HD1 PHE 150 1HD PHE 150 1.535 -3.012 -7.910 1145 HD2 PHE 150 2HD PHE 150 3.784 -6.061 -5.903 1146 HE1 PHE 150 1HE PHE 150 3.643 -1.831 -8.476 1147 HE2 PHE 150 2HE PHE 150 5.878 -4.899 -6.464 1148 HZ PHE 150 HZ PHE 150 5.818 -2.774 -7.753 1149 H ALA 151 H ALA 151 3.613 -7.379 -7.287 1150 HA ALA 151 HA ALA 151 4.545 -5.991 -9.642 1151 HB1 ALA 151 1HB ALA 151 5.835 -7.017 -7.519 1152 HB2 ALA 151 2HB ALA 151 6.637 -6.692 -9.051 1153 HB3 ALA 151 3HB ALA 151 6.101 -8.325 -8.671 1154 H ASN 152 H ASN 152 3.668 -9.395 -9.050 1155 HA ASN 152 HA ASN 152 4.467 -10.319 -11.645 1156 HB2 ASN 152 2HB ASN 152 3.512 -12.347 -11.066 1157 HB3 ASN 152 1HB ASN 152 3.756 -11.639 -9.470 1158 HD21 ASN 152 1HD2 ASN 152 1.791 -10.371 -8.593 1159 HD22 ASN 152 2HD2 ASN 152 0.244 -10.957 -8.989 1160 H VAL 153 H VAL 153 1.349 -9.090 -10.448 1161 HA VAL 153 HA VAL 153 -0.081 -9.614 -12.885 1162 HB VAL 153 HB VAL 153 -1.705 -7.947 -11.982 1163 HG11 VAL 153 1HG1 VAL 153 -1.525 -9.322 -9.550 1164 HG12 VAL 153 2HG1 VAL 153 -0.780 -10.403 -10.728 1165 HG13 VAL 153 3HG1 VAL 153 -2.432 -9.834 -10.972 1166 HG21 VAL 153 1HG2 VAL 153 0.471 -7.649 -9.923 1167 HG22 VAL 153 2HG2 VAL 153 -1.183 -7.133 -9.639 1168 HG23 VAL 153 3HG2 VAL 153 -0.233 -6.383 -10.920 1169 H ILE 154 H ILE 154 1.785 -6.823 -11.742 1170 HA ILE 154 HA ILE 154 0.978 -5.042 -13.808 1171 HB ILE 154 HB ILE 154 3.414 -5.194 -12.060 1172 HG12 ILE 154 2HG1 ILE 154 1.256 -3.090 -12.340 1173 HG13 ILE 154 1HG1 ILE 154 1.191 -4.406 -11.173 1174 HG21 ILE 154 1HG2 ILE 154 2.896 -3.465 -14.449 1175 HG22 ILE 154 2HG2 ILE 154 4.397 -4.229 -13.931 1176 HG23 ILE 154 3HG2 ILE 154 3.791 -2.810 -13.079 1177 HD11 ILE 154 1HD1 ILE 154 2.115 -2.468 -10.057 1178 HD12 ILE 154 2HD1 ILE 154 3.295 -2.238 -11.347 1179 HD13 ILE 154 3HD1 ILE 154 3.411 -3.642 -10.284 1180 HBC 969 201 HBC PDM 155 4.610 -8.734 3.568 1181 HBD 969 201 HBD PDM 155 6.363 -8.425 3.535 1182 HBE 969 201 HBE PDM 155 5.625 -9.495 2.319 1183 HBA 969 201 HBA PDM 155 4.614 -7.699 1.171 1184 HBB 969 201 HBB PDM 155 4.757 -6.601 2.563 1185 HA0 969 201 0HA PDM 155 7.156 -6.442 -0.558 1186 HAY 969 201 HAY PDM 155 5.760 -7.537 -0.412 1187 HAZ 969 201 HAZ PDM 155 7.405 -8.138 -0.087 1188 HBF 969 201 HBF PDM 155 7.956 -8.330 1.763 1189 HAQ 969 201 HAQ PDM 155 5.608 -4.127 -4.791 1190 HAL 969 201 HAL PDM 155 7.645 -4.080 -6.546 1191 HAM 969 201 HAM PDM 155 9.419 -2.356 -6.672 1192 HAN 969 201 HAN PDM 155 10.405 -1.449 -4.593 1193 HAE 969 201 HAE PDM 155 10.707 -1.434 0.212 1194 HAS 969 201 HAS PDM 155 11.047 -1.675 2.379 1195 HAT 969 201 HAT PDM 155 10.435 -3.111 3.236 1196 HAU 969 201 HAU PDM 155 9.503 -1.597 3.261 1197 HAV 969 201 HAV PDM 155 6.501 -5.282 3.741 Start of MODEL 7 1 H1 MET 1 1HT MET 1 6.025 -12.938 8.762 2 H2 MET 1 2HT MET 1 6.453 -12.586 10.368 3 H3 MET 1 3HT MET 1 6.840 -11.495 9.124 4 HA MET 1 HA MET 1 4.862 -10.516 9.202 5 HB2 MET 1 2HB MET 1 2.756 -11.983 9.392 6 HB3 MET 1 1HB MET 1 3.748 -12.203 7.950 7 HG2 MET 1 2HG MET 1 4.338 -14.315 8.533 8 HG3 MET 1 1HG MET 1 4.570 -13.878 10.225 9 HE1 MET 1 1HE MET 1 2.286 -16.744 10.715 10 HE2 MET 1 2HE MET 1 2.965 -15.574 11.844 11 HE3 MET 1 3HE MET 1 3.936 -16.145 10.491 12 HA PRO 2 HA PRO 2 5.191 -11.446 13.834 13 HB2 PRO 2 2HB PRO 2 6.515 -9.100 14.460 14 HB3 PRO 2 1HB PRO 2 7.300 -10.667 14.189 15 HG2 PRO 2 2HG PRO 2 7.081 -8.324 12.398 16 HG3 PRO 2 1HG PRO 2 8.372 -9.527 12.539 17 HD2 PRO 2 2HD PRO 2 6.512 -9.499 10.502 18 HD3 PRO 2 1HD PRO 2 7.380 -10.957 11.035 19 H GLU 3 H GLU 3 3.959 -10.396 15.458 20 HA GLU 3 HA GLU 3 1.738 -8.824 14.560 21 HB2 GLU 3 2HB GLU 3 2.831 -9.241 17.362 22 HB3 GLU 3 1HB GLU 3 1.248 -8.575 16.976 23 HG2 GLU 3 2HG GLU 3 0.674 -10.673 15.778 24 HG3 GLU 3 1HG GLU 3 2.235 -11.345 16.251 25 H GLU 4 H GLU 4 4.935 -8.021 15.677 26 HA GLU 4 HA GLU 4 4.227 -5.167 16.039 27 HB2 GLU 4 2HB GLU 4 5.777 -6.329 17.635 28 HB3 GLU 4 1HB GLU 4 6.917 -6.511 16.305 29 HG2 GLU 4 2HG GLU 4 6.917 -4.038 16.001 30 HG3 GLU 4 1HG GLU 4 5.863 -3.894 17.411 31 H ILE 5 H ILE 5 4.960 -3.546 14.633 32 HA ILE 5 HA ILE 5 6.250 -4.526 12.117 33 HB ILE 5 HB ILE 5 4.834 -1.977 11.922 34 HG12 ILE 5 2HG1 ILE 5 3.389 -3.131 13.592 35 HG13 ILE 5 1HG1 ILE 5 2.586 -2.862 12.053 36 HG21 ILE 5 1HG2 ILE 5 5.628 -3.179 9.982 37 HG22 ILE 5 2HG2 ILE 5 3.864 -3.142 9.956 38 HG23 ILE 5 3HG2 ILE 5 4.705 -4.608 10.452 39 HD11 ILE 5 1HD1 ILE 5 2.741 -5.279 13.342 40 HD12 ILE 5 2HD1 ILE 5 4.061 -5.387 12.182 41 HD13 ILE 5 3HD1 ILE 5 2.419 -5.066 11.624 42 HA PRO 6 HA PRO 6 9.140 -1.400 13.824 43 HB2 PRO 6 2HB PRO 6 11.436 -2.769 13.266 44 HB3 PRO 6 1HB PRO 6 10.484 -3.042 14.737 45 HG2 PRO 6 2HG PRO 6 10.716 -4.695 12.306 46 HG3 PRO 6 1HG PRO 6 10.364 -5.172 13.973 47 HD2 PRO 6 2HD PRO 6 8.481 -4.894 11.882 48 HD3 PRO 6 1HD PRO 6 8.115 -5.084 13.611 49 H ASP 7 H ASP 7 10.949 -0.216 12.641 50 HA ASP 7 HA ASP 7 10.163 0.397 9.965 51 HB2 ASP 7 2HB ASP 7 12.284 1.719 9.925 52 HB3 ASP 7 1HB ASP 7 11.301 2.039 11.353 53 H VAL 8 H VAL 8 10.640 -0.646 8.111 54 HA VAL 8 HA VAL 8 13.186 -2.164 7.914 55 HB VAL 8 HB VAL 8 11.382 -3.795 8.478 56 HG11 VAL 8 1HG1 VAL 8 9.617 -4.222 6.804 57 HG12 VAL 8 2HG1 VAL 8 10.181 -2.848 5.856 58 HG13 VAL 8 3HG1 VAL 8 9.493 -2.592 7.457 59 HG21 VAL 8 1HG2 VAL 8 11.696 -4.798 5.863 60 HG22 VAL 8 2HG2 VAL 8 12.718 -5.141 7.259 61 HG23 VAL 8 3HG2 VAL 8 13.131 -3.818 6.168 62 H ARG 9 H ARG 9 14.114 -2.022 5.851 63 HA ARG 9 HA ARG 9 12.520 -0.510 3.812 64 HB2 ARG 9 2HB ARG 9 14.306 0.884 4.817 65 HB3 ARG 9 1HB ARG 9 15.500 -0.322 4.334 66 HG2 ARG 9 2HG ARG 9 14.833 -0.005 1.962 67 HG3 ARG 9 1HG ARG 9 13.698 1.246 2.466 68 HD2 ARG 9 2HD ARG 9 16.694 1.316 2.933 69 HD3 ARG 9 1HD ARG 9 15.837 2.221 1.685 70 HE ARG 9 HE ARG 9 14.766 2.742 4.332 71 HH11 ARG 9 1HH1 ARG 9 15.163 4.802 5.173 72 HH12 ARG 9 2HH1 ARG 9 16.394 5.790 4.460 73 HH21 ARG 9 1HH2 ARG 9 17.272 3.437 2.069 74 HH22 ARG 9 2HH2 ARG 9 17.588 5.018 2.704 75 H LYS 10 H LYS 10 12.372 -1.488 1.858 76 HA LYS 10 HA LYS 10 14.435 -3.464 1.055 77 HB2 LYS 10 2HB LYS 10 12.280 -4.497 2.226 78 HB3 LYS 10 1HB LYS 10 11.577 -4.216 0.630 79 HG2 LYS 10 2HG LYS 10 13.415 -5.486 -0.413 80 HG3 LYS 10 1HG LYS 10 14.103 -5.794 1.182 81 HD2 LYS 10 2HD LYS 10 11.940 -6.896 1.829 82 HD3 LYS 10 1HD LYS 10 11.406 -6.721 0.157 83 HE2 LYS 10 2HE LYS 10 13.929 -7.845 -0.100 84 HE3 LYS 10 1HE LYS 10 13.267 -8.658 1.318 85 HZ1 LYS 10 1HZ LYS 10 12.741 -9.341 -1.230 86 HZ2 LYS 10 2HZ LYS 10 11.402 -8.365 -0.859 87 HZ3 LYS 10 3HZ LYS 10 11.754 -9.726 0.094 88 H SER 11 H SER 11 14.020 -4.112 -1.302 89 HA SER 11 HA SER 11 12.379 -2.269 -2.867 90 HB2 SER 11 2HB SER 11 14.216 -1.268 -4.105 91 HB3 SER 11 1HB SER 11 14.376 -0.917 -2.386 92 HG SER 11 HG SER 11 16.341 -1.644 -3.373 93 H VAL 12 H VAL 12 12.279 -2.843 -5.100 94 HA VAL 12 HA VAL 12 13.750 -5.208 -6.020 95 HB VAL 12 HB VAL 12 10.804 -5.261 -5.413 96 HG11 VAL 12 1HG1 VAL 12 12.377 -6.822 -7.456 97 HG12 VAL 12 2HG1 VAL 12 10.807 -6.041 -7.641 98 HG13 VAL 12 3HG1 VAL 12 10.950 -7.521 -6.691 99 HG21 VAL 12 1HG2 VAL 12 12.131 -6.162 -3.641 100 HG22 VAL 12 2HG2 VAL 12 13.195 -7.000 -4.770 101 HG23 VAL 12 3HG2 VAL 12 11.541 -7.560 -4.538 102 H VAL 13 H VAL 13 13.431 -5.568 -8.316 103 HA VAL 13 HA VAL 13 12.430 -3.117 -9.679 104 HB VAL 13 HB VAL 13 14.318 -5.253 -10.710 105 HG11 VAL 13 1HG1 VAL 13 14.005 -4.282 -12.718 106 HG12 VAL 13 2HG1 VAL 13 14.520 -2.736 -12.045 107 HG13 VAL 13 3HG1 VAL 13 12.816 -3.189 -12.007 108 HG21 VAL 13 1HG2 VAL 13 16.069 -4.012 -9.921 109 HG22 VAL 13 2HG2 VAL 13 14.874 -3.429 -8.763 110 HG23 VAL 13 3HG2 VAL 13 15.239 -2.483 -10.205 111 H VAL 14 H VAL 14 10.763 -3.276 -11.084 112 HA VAL 14 HA VAL 14 9.817 -6.006 -11.840 113 HB VAL 14 HB VAL 14 8.340 -5.222 -10.091 114 HG11 VAL 14 1HG1 VAL 14 8.718 -2.651 -11.515 115 HG12 VAL 14 2HG1 VAL 14 8.457 -2.959 -9.797 116 HG13 VAL 14 3HG1 VAL 14 7.087 -2.943 -10.910 117 HG21 VAL 14 1HG2 VAL 14 7.318 -6.247 -12.162 118 HG22 VAL 14 2HG2 VAL 14 7.014 -4.615 -12.754 119 HG23 VAL 14 3HG2 VAL 14 6.230 -5.177 -11.284 120 H ALA 15 H ALA 15 8.575 -6.030 -13.861 121 HA ALA 15 HA ALA 15 9.670 -4.192 -15.826 122 HB1 ALA 15 1HB ALA 15 8.533 -5.508 -17.444 123 HB2 ALA 15 2HB ALA 15 7.333 -6.049 -16.271 124 HB3 ALA 15 3HB ALA 15 8.985 -6.658 -16.185 125 H ALA 16 H ALA 16 8.889 -2.062 -15.279 126 HA ALA 16 HA ALA 16 6.193 -1.482 -16.169 127 HB1 ALA 16 1HB ALA 16 5.086 -1.092 -14.163 128 HB2 ALA 16 2HB ALA 16 6.585 -0.864 -13.261 129 HB3 ALA 16 3HB ALA 16 6.069 -2.487 -13.721 130 H SER 17 H SER 17 5.737 0.865 -15.946 131 HA SER 17 HA SER 17 8.267 2.426 -15.875 132 HB2 SER 17 2HB SER 17 6.892 2.537 -17.968 133 HB3 SER 17 1HB SER 17 5.562 3.198 -17.021 134 HG SER 17 HG SER 17 6.902 4.803 -18.038 135 H VAL 18 H VAL 18 8.339 4.325 -14.530 136 HA VAL 18 HA VAL 18 7.065 4.177 -12.043 137 HB VAL 18 HB VAL 18 7.676 6.569 -11.782 138 HG11 VAL 18 1HG1 VAL 18 9.964 5.439 -13.304 139 HG12 VAL 18 2HG1 VAL 18 9.335 4.454 -11.985 140 HG13 VAL 18 3HG1 VAL 18 9.919 6.088 -11.666 141 HG21 VAL 18 1HG2 VAL 18 8.052 6.303 -14.762 142 HG22 VAL 18 2HG2 VAL 18 8.921 7.531 -13.841 143 HG23 VAL 18 3HG2 VAL 18 7.157 7.539 -13.878 144 H GLU 19 H GLU 19 6.052 6.010 -14.924 145 HA GLU 19 HA GLU 19 3.718 7.166 -13.757 146 HB2 GLU 19 2HB GLU 19 4.335 6.389 -16.613 147 HB3 GLU 19 1HB GLU 19 2.941 7.346 -16.133 148 HG2 GLU 19 2HG GLU 19 4.467 9.028 -15.125 149 HG3 GLU 19 1HG GLU 19 5.847 8.082 -15.686 150 H HIS 20 H HIS 20 4.300 4.115 -15.451 151 HA HIS 20 HA HIS 20 1.587 3.203 -15.454 152 HB2 HIS 20 2HB HIS 20 3.139 2.044 -16.865 153 HB3 HIS 20 1HB HIS 20 4.213 1.708 -15.503 154 HD1 HIS 20 1HD HIS 20 1.214 0.444 -17.249 155 HD2 HIS 20 2HD HIS 20 3.073 -0.205 -13.563 156 HE1 HIS 20 1HE HIS 20 0.175 -1.642 -16.266 157 HE2 HIS 20 2HE HIS 20 1.319 -2.063 -14.053 158 H CYS 21 H CYS 21 4.252 2.792 -13.173 159 HA CYS 21 HA CYS 21 3.157 0.953 -11.395 160 HB2 CYS 21 2HB CYS 21 4.766 3.447 -10.789 161 HB3 CYS 21 1HB CYS 21 4.528 2.116 -9.664 162 HG CYS 21 HG CYS 21 5.682 1.160 -12.316 163 H PHE 22 H PHE 22 2.660 4.475 -11.461 164 HA PHE 22 HA PHE 22 0.719 4.256 -9.281 165 HB2 PHE 22 2HB PHE 22 2.174 6.418 -10.567 166 HB3 PHE 22 1HB PHE 22 0.472 6.823 -10.293 167 HD1 PHE 22 1HD PHE 22 -0.256 7.429 -8.145 168 HD2 PHE 22 2HD PHE 22 3.404 5.233 -8.612 169 HE1 PHE 22 1HE PHE 22 0.151 7.585 -5.704 170 HE2 PHE 22 2HE PHE 22 3.819 5.398 -6.179 171 HZ PHE 22 HZ PHE 22 2.188 6.565 -4.728 172 H GLU 23 H GLU 23 0.632 4.415 -12.772 173 HA GLU 23 HA GLU 23 -2.079 5.238 -13.067 174 HB2 GLU 23 2HB GLU 23 -0.518 4.977 -14.982 175 HB3 GLU 23 1HB GLU 23 -0.552 3.233 -14.736 176 HG2 GLU 23 2HG GLU 23 -2.997 3.229 -15.097 177 HG3 GLU 23 1HG GLU 23 -2.941 4.968 -15.403 178 H VAL 24 H VAL 24 -0.605 2.074 -12.483 179 HA VAL 24 HA VAL 24 -3.069 0.601 -12.556 180 HB VAL 24 HB VAL 24 -0.434 -0.011 -11.169 181 HG11 VAL 24 1HG1 VAL 24 -2.628 -1.320 -10.545 182 HG12 VAL 24 2HG1 VAL 24 -1.157 -2.212 -10.915 183 HG13 VAL 24 3HG1 VAL 24 -2.418 -2.049 -12.134 184 HG21 VAL 24 1HG2 VAL 24 -1.498 -0.343 -13.953 185 HG22 VAL 24 2HG2 VAL 24 -0.398 -1.566 -13.315 186 HG23 VAL 24 3HG2 VAL 24 0.121 0.117 -13.423 187 H PHE 25 H PHE 25 -1.203 2.151 -9.965 188 HA PHE 25 HA PHE 25 -2.636 1.228 -7.718 189 HB2 PHE 25 2HB PHE 25 -1.321 3.881 -8.321 190 HB3 PHE 25 1HB PHE 25 -2.023 3.518 -6.754 191 HD1 PHE 25 1HD PHE 25 -0.617 0.590 -8.404 192 HD2 PHE 25 2HD PHE 25 0.333 4.008 -5.965 193 HE1 PHE 25 1HE PHE 25 1.474 -0.492 -7.697 194 HE2 PHE 25 2HE PHE 25 2.437 2.914 -5.269 195 HZ PHE 25 HZ PHE 25 2.994 0.659 -6.133 196 H THR 26 H THR 26 -3.267 4.159 -9.667 197 HA THR 26 HA THR 26 -5.765 4.575 -8.234 198 HB THR 26 HB THR 26 -6.016 6.502 -9.852 199 HG1 THR 26 1HG THR 26 -4.599 5.431 -11.415 200 HG21 THR 26 1HG2 THR 26 -3.659 7.472 -8.878 201 HG22 THR 26 2HG2 THR 26 -3.916 6.090 -7.813 202 HG23 THR 26 3HG2 THR 26 -5.142 7.356 -7.926 203 H SER 27 H SER 27 -4.926 2.532 -10.715 204 HA SER 27 HA SER 27 -7.496 2.861 -12.145 205 HB2 SER 27 2HB SER 27 -5.397 2.398 -13.422 206 HB3 SER 27 1HB SER 27 -5.321 0.827 -12.636 207 HG SER 27 HG SER 27 -7.777 1.291 -13.641 208 H ARG 28 H ARG 28 -5.770 0.197 -10.420 209 HA ARG 28 HA ARG 28 -8.128 -0.641 -9.021 210 HB2 ARG 28 2HB ARG 28 -8.455 -2.795 -10.334 211 HB3 ARG 28 1HB ARG 28 -9.043 -1.337 -11.115 212 HG2 ARG 28 2HG ARG 28 -6.239 -1.791 -11.728 213 HG3 ARG 28 1HG ARG 28 -7.207 -3.193 -12.163 214 HD2 ARG 28 2HD ARG 28 -8.206 -0.487 -12.959 215 HD3 ARG 28 1HD ARG 28 -6.875 -1.194 -13.862 216 HE ARG 28 HE ARG 28 -8.335 -2.975 -14.572 217 HH11 ARG 28 1HH1 ARG 28 -10.427 -3.616 -15.087 218 HH12 ARG 28 2HH1 ARG 28 -11.776 -2.808 -14.360 219 HH21 ARG 28 1HH2 ARG 28 -9.829 -0.627 -12.509 220 HH22 ARG 28 2HH2 ARG 28 -11.436 -1.123 -12.907 221 HA PRO 29 HA PRO 29 -4.057 -2.503 -7.714 222 HB2 PRO 29 2HB PRO 29 -4.979 -1.929 -5.010 223 HB3 PRO 29 1HB PRO 29 -3.503 -1.391 -5.826 224 HG2 PRO 29 2HG PRO 29 -5.625 0.208 -5.209 225 HG3 PRO 29 1HG PRO 29 -4.428 0.555 -6.462 226 HD2 PRO 29 2HD PRO 29 -7.240 -0.351 -6.764 227 HD3 PRO 29 1HD PRO 29 -6.215 0.545 -7.904 228 H ALA 30 H ALA 30 -7.305 -2.900 -6.367 229 HA ALA 30 HA ALA 30 -6.738 -5.418 -5.067 230 HB1 ALA 30 1HB ALA 30 -9.387 -4.247 -5.955 231 HB2 ALA 30 2HB ALA 30 -8.626 -3.992 -4.385 232 HB3 ALA 30 3HB ALA 30 -9.188 -5.600 -4.844 233 H ASP 31 H ASP 31 -7.969 -4.545 -8.259 234 HA ASP 31 HA ASP 31 -8.938 -7.046 -9.100 235 HB2 ASP 31 2HB ASP 31 -7.539 -4.861 -10.644 236 HB3 ASP 31 1HB ASP 31 -8.224 -6.286 -11.425 237 H TRP 32 H TRP 32 -5.579 -5.993 -8.757 238 HA TRP 32 HA TRP 32 -4.190 -7.798 -10.343 239 HB2 TRP 32 2HB TRP 32 -3.596 -7.269 -7.420 240 HB3 TRP 32 1HB TRP 32 -2.464 -7.920 -8.592 241 HD1 TRP 32 HD TRP 32 -3.292 -5.814 -10.955 242 HE1 TRP 32 1HE TRP 32 -2.375 -3.422 -10.751 243 HE3 TRP 32 3HE TRP 32 -2.321 -5.690 -5.972 244 HZ2 TRP 32 2HZ TRP 32 -1.346 -1.677 -8.706 245 HZ3 TRP 32 3HZ TRP 32 -1.375 -3.673 -4.906 246 HH2 TRP 32 HH TRP 32 -0.888 -1.670 -6.261 247 H TRP 33 H TRP 33 -5.676 -8.479 -7.177 248 HA TRP 33 HA TRP 33 -4.880 -11.101 -6.754 249 HB2 TRP 33 2HB TRP 33 -6.201 -10.388 -5.029 250 HB3 TRP 33 1HB TRP 33 -7.314 -9.535 -6.097 251 HD1 TRP 33 HD TRP 33 -6.507 -13.057 -4.814 252 HE1 TRP 33 1HE TRP 33 -8.590 -14.541 -5.129 253 HE3 TRP 33 3HE TRP 33 -9.506 -9.829 -7.394 254 HZ2 TRP 33 2HZ TRP 33 -11.187 -14.380 -6.319 255 HZ3 TRP 33 3HZ TRP 33 -11.777 -10.519 -8.106 256 HH2 TRP 33 HH TRP 33 -12.621 -12.789 -7.573 257 HA PRO 34 HA PRO 34 -6.933 -12.858 -10.432 258 HB2 PRO 34 2HB PRO 34 -5.242 -14.913 -10.846 259 HB3 PRO 34 1HB PRO 34 -4.788 -13.248 -11.257 260 HG2 PRO 34 2HG PRO 34 -3.955 -14.920 -8.955 261 HG3 PRO 34 1HG PRO 34 -3.044 -13.698 -9.856 262 HD2 PRO 34 2HD PRO 34 -4.321 -13.306 -7.372 263 HD3 PRO 34 1HD PRO 34 -3.709 -12.033 -8.447 264 HA PRO 35 HA PRO 35 -9.392 -16.012 -8.529 265 HB2 PRO 35 2HB PRO 35 -9.684 -17.785 -10.658 266 HB3 PRO 35 1HB PRO 35 -10.666 -16.333 -10.399 267 HG2 PRO 35 2HG PRO 35 -8.368 -16.763 -12.224 268 HG3 PRO 35 1HG PRO 35 -9.817 -15.766 -12.438 269 HD2 PRO 35 2HD PRO 35 -7.387 -14.697 -11.828 270 HD3 PRO 35 1HD PRO 35 -8.915 -13.966 -11.287 271 H SER 36 H SER 36 -8.481 -17.387 -7.049 272 HA SER 36 HA SER 36 -6.979 -19.729 -8.024 273 HB2 SER 36 2HB SER 36 -5.016 -19.321 -6.681 274 HB3 SER 36 1HB SER 36 -5.289 -17.884 -7.660 275 HG SER 36 HG SER 36 -6.682 -17.432 -5.564 276 H HIS 37 H HIS 37 -6.649 -21.323 -6.253 277 HA HIS 37 HA HIS 37 -8.971 -21.720 -4.686 278 HB2 HIS 37 2HB HIS 37 -6.171 -22.786 -4.207 279 HB3 HIS 37 1HB HIS 37 -7.645 -23.432 -3.488 280 HD1 HIS 37 1HD HIS 37 -9.528 -24.192 -5.370 281 HD2 HIS 37 2HD HIS 37 -5.561 -23.950 -6.639 282 HE1 HIS 37 1HE HIS 37 -9.379 -25.528 -7.519 283 HE2 HIS 37 2HE HIS 37 -6.969 -25.387 -8.299 284 H VAL 38 H VAL 38 -5.887 -20.170 -3.867 285 HA VAL 38 HA VAL 38 -7.095 -19.345 -1.253 286 HB VAL 38 HB VAL 38 -4.157 -19.583 -1.961 287 HG11 VAL 38 1HG1 VAL 38 -3.884 -18.339 -0.102 288 HG12 VAL 38 2HG1 VAL 38 -4.600 -19.661 0.819 289 HG13 VAL 38 3HG1 VAL 38 -5.619 -18.353 0.217 290 HG21 VAL 38 1HG2 VAL 38 -5.904 -21.390 -0.258 291 HG22 VAL 38 2HG2 VAL 38 -4.179 -21.595 -0.562 292 HG23 VAL 38 3HG2 VAL 38 -5.336 -21.779 -1.881 293 H LEU 39 H LEU 39 -7.221 -17.168 -0.839 294 HA LEU 39 HA LEU 39 -5.661 -15.278 -2.503 295 HB2 LEU 39 2HB LEU 39 -7.908 -13.959 -2.763 296 HB3 LEU 39 1HB LEU 39 -7.572 -15.295 -3.864 297 HG LEU 39 HG LEU 39 -8.894 -16.070 -1.336 298 HD11 LEU 39 1HD1 LEU 39 -10.195 -14.113 -1.588 299 HD12 LEU 39 2HD1 LEU 39 -11.141 -15.354 -2.412 300 HD13 LEU 39 3HD1 LEU 39 -10.169 -14.218 -3.349 301 HD21 LEU 39 1HD2 LEU 39 -8.359 -17.423 -3.517 302 HD22 LEU 39 2HD2 LEU 39 -9.808 -16.642 -4.147 303 HD23 LEU 39 3HD2 LEU 39 -9.912 -17.669 -2.718 304 H VAL 40 H VAL 40 -6.910 -12.929 -1.663 305 HA VAL 40 HA VAL 40 -5.828 -12.549 0.937 306 HB VAL 40 HB VAL 40 -6.213 -10.640 -0.510 307 HG11 VAL 40 1HG1 VAL 40 -9.067 -11.603 -0.440 308 HG12 VAL 40 2HG1 VAL 40 -8.062 -11.237 -1.839 309 HG13 VAL 40 3HG1 VAL 40 -8.682 -9.929 -0.832 310 HG21 VAL 40 1HG2 VAL 40 -7.241 -9.131 1.041 311 HG22 VAL 40 2HG2 VAL 40 -6.466 -10.386 2.008 312 HG23 VAL 40 3HG2 VAL 40 -8.208 -10.421 1.749 313 H LYS 41 H LYS 41 -6.783 -12.647 3.009 314 HA LYS 41 HA LYS 41 -8.940 -14.476 3.389 315 HB2 LYS 41 2HB LYS 41 -7.224 -13.890 5.123 316 HB3 LYS 41 1HB LYS 41 -8.021 -12.330 5.312 317 HG2 LYS 41 2HG LYS 41 -10.133 -13.498 5.900 318 HG3 LYS 41 1HG LYS 41 -9.290 -15.043 5.777 319 HD2 LYS 41 2HD LYS 41 -7.683 -14.244 7.528 320 HD3 LYS 41 1HD LYS 41 -8.675 -12.797 7.717 321 HE2 LYS 41 2HE LYS 41 -10.582 -14.721 7.926 322 HE3 LYS 41 1HE LYS 41 -9.197 -15.575 8.606 323 HZ1 LYS 41 1HZ LYS 41 -8.890 -13.906 10.216 324 HZ2 LYS 41 2HZ LYS 41 -10.558 -14.232 10.212 325 HZ3 LYS 41 3HZ LYS 41 -9.960 -12.839 9.445 326 H LYS 42 H LYS 42 -8.821 -10.949 3.266 327 HA LYS 42 HA LYS 42 -11.758 -10.777 3.617 328 HB2 LYS 42 2HB LYS 42 -10.206 -9.134 4.725 329 HB3 LYS 42 1HB LYS 42 -9.736 -8.570 3.122 330 HG2 LYS 42 2HG LYS 42 -12.055 -7.940 2.636 331 HG3 LYS 42 1HG LYS 42 -12.565 -8.552 4.211 332 HD2 LYS 42 2HD LYS 42 -12.282 -6.138 4.364 333 HD3 LYS 42 1HD LYS 42 -11.006 -6.923 5.296 334 HE2 LYS 42 2HE LYS 42 -9.356 -6.402 3.737 335 HE3 LYS 42 1HE LYS 42 -10.508 -6.270 2.410 336 HZ1 LYS 42 1HZ LYS 42 -11.162 -4.373 4.369 337 HZ2 LYS 42 2HZ LYS 42 -10.648 -4.108 2.772 338 HZ3 LYS 42 3HZ LYS 42 -9.507 -4.229 4.026 339 H GLU 43 H GLU 43 -13.134 -10.373 1.866 340 HA GLU 43 HA GLU 43 -11.935 -10.641 -0.799 341 HB2 GLU 43 2HB GLU 43 -14.810 -10.340 0.073 342 HB3 GLU 43 1HB GLU 43 -14.295 -10.651 -1.581 343 HG2 GLU 43 2HG GLU 43 -13.176 -12.735 -0.812 344 HG3 GLU 43 1HG GLU 43 -13.784 -12.436 0.817 345 H ARG 44 H ARG 44 -11.340 -8.933 -2.013 346 HA ARG 44 HA ARG 44 -12.037 -6.211 -1.183 347 HB2 ARG 44 2HB ARG 44 -10.513 -7.191 -3.622 348 HB3 ARG 44 1HB ARG 44 -10.585 -5.523 -3.046 349 HG2 ARG 44 2HG ARG 44 -9.596 -6.280 -0.874 350 HG3 ARG 44 1HG ARG 44 -9.410 -7.892 -1.561 351 HD2 ARG 44 2HD ARG 44 -8.021 -6.905 -3.389 352 HD3 ARG 44 1HD ARG 44 -8.121 -5.343 -2.575 353 HE ARG 44 HE ARG 44 -7.102 -7.542 -0.911 354 HH11 ARG 44 1HH1 ARG 44 -4.979 -7.260 -0.191 355 HH12 ARG 44 2HH1 ARG 44 -3.999 -6.016 -0.894 356 HH21 ARG 44 1HH2 ARG 44 -6.474 -4.919 -3.060 357 HH22 ARG 44 2HH2 ARG 44 -4.845 -4.692 -2.518 358 H ALA 45 H ALA 45 -13.469 -4.828 -2.293 359 HA ALA 45 HA ALA 45 -15.132 -6.160 -4.402 360 HB1 ALA 45 1HB ALA 45 -15.816 -4.539 -2.008 361 HB2 ALA 45 2HB ALA 45 -16.696 -5.872 -2.755 362 HB3 ALA 45 3HB ALA 45 -16.783 -4.256 -3.455 363 H GLY 46 H GLY 46 -14.027 -2.938 -3.280 364 HA2 GLY 46 2HA GLY 46 -13.512 -2.150 -6.051 365 HA3 GLY 46 1HA GLY 46 -14.883 -1.315 -5.328 366 H LEU 47 H LEU 47 -12.863 0.311 -6.037 367 HA LEU 47 HA LEU 47 -11.800 1.141 -3.408 368 HB2 LEU 47 2HB LEU 47 -9.976 0.964 -5.824 369 HB3 LEU 47 1HB LEU 47 -9.531 1.390 -4.174 370 HG LEU 47 HG LEU 47 -10.452 -0.977 -3.567 371 HD11 LEU 47 1HD1 LEU 47 -10.979 -0.989 -6.318 372 HD12 LEU 47 2HD1 LEU 47 -11.004 -2.386 -5.244 373 HD13 LEU 47 3HD1 LEU 47 -9.539 -1.987 -6.140 374 HD21 LEU 47 1HD2 LEU 47 -8.225 -1.069 -3.197 375 HD22 LEU 47 2HD2 LEU 47 -7.871 -0.065 -4.602 376 HD23 LEU 47 3HD2 LEU 47 -8.106 -1.801 -4.797 377 H ALA 48 H ALA 48 -11.647 3.379 -3.232 378 HA ALA 48 HA ALA 48 -12.521 4.932 -5.624 379 HB1 ALA 48 1HB ALA 48 -13.494 6.442 -4.187 380 HB2 ALA 48 2HB ALA 48 -12.213 6.276 -2.986 381 HB3 ALA 48 3HB ALA 48 -13.487 5.062 -3.089 382 H PHE 49 H PHE 49 -11.084 6.490 -6.501 383 HA PHE 49 HA PHE 49 -8.472 6.823 -5.084 384 HB2 PHE 49 2HB PHE 49 -9.042 5.514 -7.653 385 HB3 PHE 49 1HB PHE 49 -7.738 6.698 -7.706 386 HD1 PHE 49 1HD PHE 49 -8.690 3.383 -6.778 387 HD2 PHE 49 2HD PHE 49 -5.877 6.509 -5.935 388 HE1 PHE 49 1HE PHE 49 -7.134 1.720 -5.827 389 HE2 PHE 49 2HE PHE 49 -4.310 4.843 -4.970 390 HZ PHE 49 HZ PHE 49 -4.925 2.439 -4.937 391 H GLU 50 H GLU 50 -7.940 8.948 -4.986 392 HA GLU 50 HA GLU 50 -8.639 10.647 -7.325 393 HB2 GLU 50 2HB GLU 50 -8.706 12.302 -5.024 394 HB3 GLU 50 1HB GLU 50 -10.025 11.926 -6.117 395 HG2 GLU 50 2HG GLU 50 -9.216 10.102 -3.837 396 HG3 GLU 50 1HG GLU 50 -10.466 11.337 -3.691 397 HA PRO 51 HA PRO 51 -4.273 11.608 -6.749 398 HB2 PRO 51 2HB PRO 51 -3.921 13.385 -8.712 399 HB3 PRO 51 1HB PRO 51 -4.369 11.705 -9.081 400 HG2 PRO 51 2HG PRO 51 -6.095 14.141 -8.985 401 HG3 PRO 51 1HG PRO 51 -6.061 12.833 -10.180 402 HD2 PRO 51 2HD PRO 51 -7.885 12.974 -8.098 403 HD3 PRO 51 1HD PRO 51 -7.407 11.472 -8.923 404 H PHE 52 H PHE 52 -2.988 13.109 -5.612 405 HA PHE 52 HA PHE 52 -3.039 15.847 -5.517 406 HB2 PHE 52 2HB PHE 52 -4.445 16.166 -3.310 407 HB3 PHE 52 1HB PHE 52 -5.242 16.209 -4.874 408 HD1 PHE 52 1HD PHE 52 -7.360 15.647 -3.649 409 HD2 PHE 52 2HD PHE 52 -4.029 12.931 -3.732 410 HE1 PHE 52 1HE PHE 52 -8.837 13.783 -2.945 411 HE2 PHE 52 2HE PHE 52 -5.511 11.085 -3.060 412 HZ PHE 52 HZ PHE 52 -7.898 11.497 -2.664 413 H VAL 53 H VAL 53 -2.383 16.773 -3.257 414 HA VAL 53 HA VAL 53 -0.329 14.970 -2.137 415 HB VAL 53 HB VAL 53 -0.915 17.880 -1.548 416 HG11 VAL 53 1HG1 VAL 53 0.574 16.135 -0.060 417 HG12 VAL 53 2HG1 VAL 53 0.868 17.871 -0.136 418 HG13 VAL 53 3HG1 VAL 53 1.791 16.775 -1.163 419 HG21 VAL 53 1HG2 VAL 53 -0.146 18.138 -3.678 420 HG22 VAL 53 2HG2 VAL 53 0.545 16.516 -3.722 421 HG23 VAL 53 3HG2 VAL 53 1.430 17.829 -2.948 422 H GLY 54 H GLY 54 -0.438 14.252 0.064 423 HA2 GLY 54 2HA GLY 54 -1.548 13.755 2.106 424 HA3 GLY 54 1HA GLY 54 -2.412 15.292 1.919 425 H GLY 55 H GLY 55 -2.220 12.937 -0.567 426 HA2 GLY 55 2HA GLY 55 -5.031 12.898 -1.022 427 HA3 GLY 55 1HA GLY 55 -3.828 11.883 -1.809 428 H ARG 56 H ARG 56 -6.068 10.622 -1.479 429 HA ARG 56 HA ARG 56 -5.444 8.703 0.685 430 HB2 ARG 56 2HB ARG 56 -8.128 10.083 0.410 431 HB3 ARG 56 1HB ARG 56 -7.802 8.716 1.474 432 HG2 ARG 56 2HG ARG 56 -6.022 10.084 2.589 433 HG3 ARG 56 1HG ARG 56 -6.525 11.461 1.609 434 HD2 ARG 56 2HD ARG 56 -8.843 11.191 2.531 435 HD3 ARG 56 1HD ARG 56 -8.216 9.950 3.616 436 HE ARG 56 HE ARG 56 -6.563 12.068 4.146 437 HH11 ARG 56 1HH1 ARG 56 -7.029 13.704 5.636 438 HH12 ARG 56 2HH1 ARG 56 -8.680 14.079 6.001 439 HH21 ARG 56 1HH2 ARG 56 -9.978 11.685 3.855 440 HH22 ARG 56 2HH2 ARG 56 -10.349 12.937 4.994 441 H TYR 57 H TYR 57 -6.115 6.631 0.225 442 HA TYR 57 HA TYR 57 -7.632 6.218 -2.315 443 HB2 TYR 57 2HB TYR 57 -5.551 4.339 -1.157 444 HB3 TYR 57 1HB TYR 57 -6.360 4.195 -2.713 445 HD1 TYR 57 1HD TYR 57 -6.211 7.016 -3.730 446 HD2 TYR 57 2HD TYR 57 -3.284 4.610 -1.693 447 HE1 TYR 57 1HE TYR 57 -4.409 8.344 -4.759 448 HE2 TYR 57 2HE TYR 57 -1.476 5.942 -2.740 449 HH TYR 57 HH TYR 57 -0.979 7.564 -4.167 450 H TYR 58 H TYR 58 -9.322 4.724 -2.174 451 HA TYR 58 HA TYR 58 -9.900 3.769 0.601 452 HB2 TYR 58 2HB TYR 58 -11.889 4.532 -1.542 453 HB3 TYR 58 1HB TYR 58 -12.224 4.201 0.161 454 HD1 TYR 58 1HD TYR 58 -10.160 6.444 -2.039 455 HD2 TYR 58 2HD TYR 58 -12.200 5.947 1.718 456 HE1 TYR 58 1HE TYR 58 -9.672 8.800 -1.456 457 HE2 TYR 58 2HE TYR 58 -11.711 8.307 2.292 458 HH TYR 58 HH TYR 58 -10.666 10.570 0.036 459 H GLU 59 H GLU 59 -10.889 1.754 0.859 460 HA GLU 59 HA GLU 59 -10.908 -0.004 -1.561 461 HB2 GLU 59 2HB GLU 59 -8.961 -0.425 -0.032 462 HB3 GLU 59 1HB GLU 59 -10.108 -0.795 1.256 463 HG2 GLU 59 2HG GLU 59 -11.078 -2.592 -0.174 464 HG3 GLU 59 1HG GLU 59 -9.838 -2.260 -1.384 465 H TRP 60 H TRP 60 -12.662 -1.424 -1.700 466 HA TRP 60 HA TRP 60 -14.796 -1.027 0.361 467 HB2 TRP 60 2HB TRP 60 -14.794 -1.323 -2.576 468 HB3 TRP 60 1HB TRP 60 -16.019 -2.278 -1.747 469 HD1 TRP 60 HD TRP 60 -17.176 -0.593 0.403 470 HE1 TRP 60 1HE TRP 60 -18.275 1.704 -0.049 471 HE3 TRP 60 3HE TRP 60 -15.016 0.563 -4.076 472 HZ2 TRP 60 2HZ TRP 60 -18.221 3.766 -2.049 473 HZ3 TRP 60 3HZ TRP 60 -15.540 2.687 -5.226 474 HH2 TRP 60 HH TRP 60 -17.135 4.284 -4.226 475 H ASP 61 H ASP 61 -15.367 -2.788 1.569 476 HA ASP 61 HA ASP 61 -14.476 -5.476 0.562 477 HB2 ASP 61 2HB ASP 61 -14.834 -4.736 3.469 478 HB3 ASP 61 1HB ASP 61 -14.058 -6.172 2.808 479 H ILE 62 H ILE 62 -16.084 -7.027 0.466 480 HA ILE 62 HA ILE 62 -18.790 -6.297 0.433 481 HB ILE 62 HB ILE 62 -19.213 -8.805 0.718 482 HG12 ILE 62 2HG1 ILE 62 -17.073 -10.155 0.332 483 HG13 ILE 62 1HG1 ILE 62 -16.205 -8.729 0.866 484 HG21 ILE 62 1HG2 ILE 62 -17.765 -7.364 -1.390 485 HG22 ILE 62 2HG2 ILE 62 -19.200 -8.384 -1.504 486 HG23 ILE 62 3HG2 ILE 62 -17.597 -9.119 -1.467 487 HD11 ILE 62 1HD1 ILE 62 -17.193 -10.724 2.511 488 HD12 ILE 62 2HD1 ILE 62 -18.381 -9.437 2.681 489 HD13 ILE 62 3HD1 ILE 62 -16.684 -9.122 3.033 490 H ASP 63 H ASP 63 -16.775 -7.163 3.140 491 HA ASP 63 HA ASP 63 -19.171 -7.162 4.920 492 HB2 ASP 63 2HB ASP 63 -16.318 -8.095 5.347 493 HB3 ASP 63 1HB ASP 63 -17.494 -7.966 6.656 494 H GLY 64 H GLY 64 -16.432 -5.332 3.922 495 HA2 GLY 64 2HA GLY 64 -16.838 -3.445 6.194 496 HA3 GLY 64 1HA GLY 64 -15.329 -3.579 5.303 497 H THR 65 H THR 65 -17.609 -1.483 5.755 498 HA THR 65 HA THR 65 -18.715 -0.789 3.230 499 HB THR 65 HB THR 65 -19.264 0.153 5.557 500 HG1 THR 65 1HG THR 65 -18.919 2.335 3.917 501 HG21 THR 65 1HG2 THR 65 -16.647 0.851 5.617 502 HG22 THR 65 2HG2 THR 65 -17.891 1.653 6.571 503 HG23 THR 65 3HG2 THR 65 -17.361 2.359 5.047 504 H GLU 66 H GLU 66 -17.668 1.998 3.246 505 HA GLU 66 HA GLU 66 -15.214 1.481 1.640 506 HB2 GLU 66 2HB GLU 66 -17.292 2.929 0.884 507 HB3 GLU 66 1HB GLU 66 -16.540 4.158 1.882 508 HG2 GLU 66 2HG GLU 66 -14.417 3.822 0.628 509 HG3 GLU 66 1HG GLU 66 -15.273 2.721 -0.447 510 H ILE 67 H ILE 67 -13.256 2.070 2.494 511 HA ILE 67 HA ILE 67 -13.170 4.208 4.539 512 HB ILE 67 HB ILE 67 -11.742 2.758 6.024 513 HG12 ILE 67 2HG1 ILE 67 -12.716 0.216 5.359 514 HG13 ILE 67 1HG1 ILE 67 -12.213 0.914 3.817 515 HG21 ILE 67 1HG2 ILE 67 -13.658 1.628 7.044 516 HG22 ILE 67 2HG2 ILE 67 -14.576 1.801 5.549 517 HG23 ILE 67 3HG2 ILE 67 -14.131 3.231 6.482 518 HD11 ILE 67 1HD1 ILE 67 -10.364 -0.300 5.000 519 HD12 ILE 67 2HD1 ILE 67 -10.482 0.879 6.306 520 HD13 ILE 67 3HD1 ILE 67 -10.001 1.398 4.691 521 H VAL 68 H VAL 68 -10.858 4.772 5.087 522 HA VAL 68 HA VAL 68 -9.232 4.600 2.605 523 HB VAL 68 HB VAL 68 -9.659 6.853 3.555 524 HG11 VAL 68 1HG1 VAL 68 -9.355 5.586 5.990 525 HG12 VAL 68 2HG1 VAL 68 -9.387 7.332 5.753 526 HG13 VAL 68 3HG1 VAL 68 -7.844 6.480 5.835 527 HG21 VAL 68 1HG2 VAL 68 -7.542 6.366 2.335 528 HG22 VAL 68 2HG2 VAL 68 -6.775 5.958 3.869 529 HG23 VAL 68 3HG2 VAL 68 -7.326 7.607 3.570 530 H TRP 69 H TRP 69 -7.487 3.271 2.557 531 HA TRP 69 HA TRP 69 -6.580 2.104 5.151 532 HB2 TRP 69 2HB TRP 69 -6.183 0.101 4.066 533 HB3 TRP 69 1HB TRP 69 -7.510 0.716 3.082 534 HD1 TRP 69 HD TRP 69 -3.737 0.204 3.060 535 HE1 TRP 69 1HE TRP 69 -2.877 0.453 0.645 536 HE3 TRP 69 3HE TRP 69 -8.003 1.803 0.756 537 HZ2 TRP 69 2HZ TRP 69 -3.861 1.209 -1.921 538 HZ3 TRP 69 3HZ TRP 69 -8.005 2.273 -1.678 539 HH2 TRP 69 HH TRP 69 -5.952 1.974 -3.010 540 H GLY 70 H GLY 70 -5.686 4.494 3.121 541 HA2 GLY 70 2HA GLY 70 -2.911 4.398 4.022 542 HA3 GLY 70 1HA GLY 70 -3.085 4.153 2.285 543 H ARG 71 H ARG 71 -1.693 6.302 2.793 544 HA ARG 71 HA ARG 71 -3.528 8.531 2.138 545 HB2 ARG 71 2HB ARG 71 -2.614 8.295 4.724 546 HB3 ARG 71 1HB ARG 71 -1.378 9.309 3.991 547 HG2 ARG 71 2HG ARG 71 -3.241 10.754 3.068 548 HG3 ARG 71 1HG ARG 71 -4.346 9.839 4.094 549 HD2 ARG 71 2HD ARG 71 -2.950 10.455 6.074 550 HD3 ARG 71 1HD ARG 71 -1.964 11.468 5.020 551 HE ARG 71 HE ARG 71 -4.823 12.082 4.904 552 HH11 ARG 71 1HH1 ARG 71 -5.393 14.122 5.696 553 HH12 ARG 71 2HH1 ARG 71 -4.247 15.027 6.627 554 HH21 ARG 71 1HH2 ARG 71 -1.776 12.601 6.431 555 HH22 ARG 71 2HH2 ARG 71 -2.199 14.166 7.044 556 H ILE 72 H ILE 72 -1.888 10.538 1.718 557 HA ILE 72 HA ILE 72 0.498 9.477 0.290 558 HB ILE 72 HB ILE 72 -1.652 11.292 -0.788 559 HG12 ILE 72 2HG1 ILE 72 -1.204 9.709 -2.797 560 HG13 ILE 72 1HG1 ILE 72 -0.357 8.697 -1.628 561 HG21 ILE 72 1HG2 ILE 72 1.222 11.042 -1.672 562 HG22 ILE 72 2HG2 ILE 72 0.332 12.514 -1.280 563 HG23 ILE 72 3HG2 ILE 72 -0.054 11.613 -2.747 564 HD11 ILE 72 1HD1 ILE 72 -2.353 7.828 -1.053 565 HD12 ILE 72 2HD1 ILE 72 -3.209 9.008 -2.046 566 HD13 ILE 72 3HD1 ILE 72 -2.784 9.395 -0.383 567 H LEU 73 H LEU 73 2.148 11.216 -0.106 568 HA LEU 73 HA LEU 73 1.945 13.383 1.948 569 HB2 LEU 73 2HB LEU 73 4.266 11.729 0.986 570 HB3 LEU 73 1HB LEU 73 4.533 13.305 1.723 571 HG LEU 73 HG LEU 73 2.730 11.343 3.104 572 HD11 LEU 73 1HD1 LEU 73 5.737 11.365 3.450 573 HD12 LEU 73 2HD1 LEU 73 4.885 10.166 2.478 574 HD13 LEU 73 3HD1 LEU 73 4.576 10.276 4.210 575 HD21 LEU 73 1HD2 LEU 73 3.772 12.504 5.098 576 HD22 LEU 73 2HD2 LEU 73 2.856 13.570 4.036 577 HD23 LEU 73 3HD2 LEU 73 4.617 13.557 3.967 578 H GLU 74 H GLU 74 3.048 12.506 -1.287 579 HA GLU 74 HA GLU 74 2.306 14.984 -2.484 580 HB2 GLU 74 2HB GLU 74 4.423 16.065 -2.835 581 HB3 GLU 74 1HB GLU 74 4.348 15.719 -1.107 582 HG2 GLU 74 2HG GLU 74 5.621 13.587 -1.565 583 HG3 GLU 74 1HG GLU 74 5.842 14.144 -3.223 584 H TRP 75 H TRP 75 2.309 14.645 -4.728 585 HA TRP 75 HA TRP 75 3.410 12.025 -5.595 586 HB2 TRP 75 2HB TRP 75 1.930 12.527 -7.649 587 HB3 TRP 75 1HB TRP 75 1.113 12.152 -6.130 588 HD1 TRP 75 HD TRP 75 0.434 14.408 -4.616 589 HE1 TRP 75 1HE TRP 75 -0.536 16.644 -5.459 590 HE3 TRP 75 3HE TRP 75 1.774 14.153 -9.538 591 HZ2 TRP 75 2HZ TRP 75 -0.720 18.126 -7.898 592 HZ3 TRP 75 3HZ TRP 75 1.190 15.989 -11.096 593 HH2 TRP 75 HH TRP 75 -0.055 17.973 -10.283 594 H ASP 76 H ASP 76 5.416 12.184 -6.458 595 HA ASP 76 HA ASP 76 5.959 14.474 -8.306 596 HB2 ASP 76 2HB ASP 76 7.446 13.518 -6.021 597 HB3 ASP 76 1HB ASP 76 8.418 13.353 -7.486 598 HA PRO 77 HA PRO 77 5.742 10.586 -10.793 599 HB2 PRO 77 2HB PRO 77 5.538 12.582 -12.970 600 HB3 PRO 77 1HB PRO 77 4.509 11.188 -12.608 601 HG2 PRO 77 2HG PRO 77 3.740 13.721 -12.141 602 HG3 PRO 77 1HG PRO 77 3.202 12.352 -11.156 603 HD2 PRO 77 2HD PRO 77 5.187 14.477 -10.500 604 HD3 PRO 77 1HD PRO 77 4.116 13.557 -9.421 605 HA PRO 78 HA PRO 78 9.420 12.651 -13.545 606 HB2 PRO 78 2HB PRO 78 10.476 13.931 -11.040 607 HB3 PRO 78 1HB PRO 78 10.743 14.388 -12.735 608 HG2 PRO 78 2HG PRO 78 8.982 15.692 -11.254 609 HG3 PRO 78 1HG PRO 78 8.647 15.325 -12.956 610 HD2 PRO 78 2HD PRO 78 7.463 14.137 -10.518 611 HD3 PRO 78 1HD PRO 78 6.775 14.266 -12.143 612 H HIS 79 H HIS 79 9.402 11.286 -10.256 613 HA HIS 79 HA HIS 79 10.665 8.942 -10.826 614 HB2 HIS 79 2HB HIS 79 12.672 9.650 -11.667 615 HB3 HIS 79 1HB HIS 79 12.619 11.178 -10.785 616 HD1 HIS 79 1HD HIS 79 13.980 7.750 -10.641 617 HD2 HIS 79 2HD HIS 79 13.422 10.911 -7.983 618 HE1 HIS 79 1HE HIS 79 15.408 7.239 -8.609 619 HE2 HIS 79 2HE HIS 79 15.072 9.157 -6.983 620 H ARG 80 H ARG 80 9.712 11.257 -8.546 621 HA ARG 80 HA ARG 80 10.437 9.361 -6.354 622 HB2 ARG 80 2HB ARG 80 11.929 11.373 -6.335 623 HB3 ARG 80 1HB ARG 80 10.496 12.373 -6.082 624 HG2 ARG 80 2HG ARG 80 9.976 11.001 -4.047 625 HG3 ARG 80 1HG ARG 80 11.527 10.185 -4.264 626 HD2 ARG 80 2HD ARG 80 11.169 13.173 -3.924 627 HD3 ARG 80 1HD ARG 80 11.685 12.064 -2.659 628 HE ARG 80 HE ARG 80 13.533 11.567 -4.598 629 HH11 ARG 80 1HH1 ARG 80 15.417 12.770 -4.938 630 HH12 ARG 80 2HH1 ARG 80 15.463 14.435 -4.461 631 HH21 ARG 80 1HH2 ARG 80 12.212 14.455 -3.257 632 HH22 ARG 80 2HH2 ARG 80 13.648 15.389 -3.511 633 H LEU 81 H LEU 81 8.839 8.934 -4.899 634 HA LEU 81 HA LEU 81 6.465 10.709 -4.797 635 HB2 LEU 81 2HB LEU 81 6.413 7.764 -5.443 636 HB3 LEU 81 1HB LEU 81 5.005 8.611 -4.814 637 HG LEU 81 HG LEU 81 5.989 10.195 -6.932 638 HD11 LEU 81 1HD1 LEU 81 5.853 7.255 -7.617 639 HD12 LEU 81 2HD1 LEU 81 7.284 8.281 -7.702 640 HD13 LEU 81 3HD1 LEU 81 5.932 8.561 -8.800 641 HD21 LEU 81 1HD2 LEU 81 3.832 9.693 -7.923 642 HD22 LEU 81 2HD2 LEU 81 3.621 9.813 -6.176 643 HD23 LEU 81 3HD2 LEU 81 3.685 8.231 -6.950 644 H ALA 82 H ALA 82 5.978 11.065 -2.697 645 HA ALA 82 HA ALA 82 6.910 9.054 -0.675 646 HB1 ALA 82 1HB ALA 82 6.255 11.954 -0.110 647 HB2 ALA 82 2HB ALA 82 7.869 11.448 -0.608 648 HB3 ALA 82 3HB ALA 82 7.175 10.832 0.892 649 H MET 83 H MET 83 5.318 8.461 0.979 650 HA MET 83 HA MET 83 2.648 9.658 0.606 651 HB2 MET 83 2HB MET 83 1.752 7.184 0.604 652 HB3 MET 83 1HB MET 83 2.274 7.943 -0.900 653 HG2 MET 83 2HG MET 83 4.164 6.337 0.828 654 HG3 MET 83 1HG MET 83 3.186 5.591 -0.435 655 HE1 MET 83 1HE MET 83 4.254 6.640 -3.638 656 HE2 MET 83 2HE MET 83 3.440 8.057 -2.980 657 HE3 MET 83 3HE MET 83 2.874 6.446 -2.547 658 H THR 84 H THR 84 1.253 9.457 2.360 659 HA THR 84 HA THR 84 2.488 8.308 4.829 660 HB THR 84 HB THR 84 0.484 10.529 4.382 661 HG1 THR 84 1HG THR 84 2.952 10.228 5.726 662 HG21 THR 84 1HG2 THR 84 0.307 10.547 6.923 663 HG22 THR 84 2HG2 THR 84 1.011 8.931 6.894 664 HG23 THR 84 3HG2 THR 84 -0.541 9.230 6.113 665 H TRP 85 H TRP 85 0.897 7.124 6.273 666 HA TRP 85 HA TRP 85 -1.168 5.771 4.577 667 HB2 TRP 85 2HB TRP 85 0.932 4.656 5.958 668 HB3 TRP 85 1HB TRP 85 -0.403 4.465 7.097 669 HD1 TRP 85 HD TRP 85 -1.770 2.363 6.749 670 HE1 TRP 85 1HE TRP 85 -2.282 0.789 4.772 671 HE3 TRP 85 3HE TRP 85 0.741 4.787 3.021 672 HZ2 TRP 85 2HZ TRP 85 -1.701 0.587 1.977 673 HZ3 TRP 85 3HZ TRP 85 0.746 3.883 0.714 674 HH2 TRP 85 HH TRP 85 -0.470 1.788 0.187 675 H ARG 86 H ARG 86 -3.292 6.079 5.135 676 HA ARG 86 HA ARG 86 -3.846 7.094 7.906 677 HB2 ARG 86 2HB ARG 86 -4.403 8.693 6.073 678 HB3 ARG 86 1HB ARG 86 -5.508 7.495 5.400 679 HG2 ARG 86 2HG ARG 86 -6.743 7.484 7.580 680 HG3 ARG 86 1HG ARG 86 -5.695 8.788 8.137 681 HD2 ARG 86 2HD ARG 86 -6.441 10.151 6.169 682 HD3 ARG 86 1HD ARG 86 -7.586 8.870 5.771 683 HE ARG 86 HE ARG 86 -7.783 9.952 8.507 684 HH11 ARG 86 1HH1 ARG 86 -9.778 10.899 8.987 685 HH12 ARG 86 2HH1 ARG 86 -10.909 11.201 7.713 686 HH21 ARG 86 1HH2 ARG 86 -8.859 9.931 5.229 687 HH22 ARG 86 2HH2 ARG 86 -10.389 10.654 5.588 688 H ILE 87 H ILE 87 -4.317 5.152 8.969 689 HA ILE 87 HA ILE 87 -6.839 3.842 8.145 690 HB ILE 87 HB ILE 87 -4.930 2.553 7.084 691 HG12 ILE 87 2HG1 ILE 87 -6.402 0.988 9.218 692 HG13 ILE 87 1HG1 ILE 87 -7.219 1.631 7.793 693 HG21 ILE 87 1HG2 ILE 87 -4.356 1.539 9.858 694 HG22 ILE 87 2HG2 ILE 87 -3.516 2.970 9.259 695 HG23 ILE 87 3HG2 ILE 87 -3.358 1.434 8.407 696 HD11 ILE 87 1HD1 ILE 87 -4.735 -0.057 7.538 697 HD12 ILE 87 2HD1 ILE 87 -5.957 0.282 6.320 698 HD13 ILE 87 3HD1 ILE 87 -6.332 -0.791 7.662 699 H ASP 88 H ASP 88 -7.843 2.684 9.912 700 HA ASP 88 HA ASP 88 -6.741 3.485 12.567 701 HB2 ASP 88 2HB ASP 88 -8.981 4.355 12.102 702 HB3 ASP 88 1HB ASP 88 -9.566 2.719 11.818 703 H GLY 89 H GLY 89 -7.459 1.874 14.341 704 HA2 GLY 89 2HA GLY 89 -6.129 -0.595 13.906 705 HA3 GLY 89 1HA GLY 89 -7.207 -0.268 15.263 706 H HIS 90 H HIS 90 -9.586 0.207 13.669 707 HA HIS 90 HA HIS 90 -10.121 -2.618 12.884 708 HB2 HIS 90 2HB HIS 90 -11.535 -0.787 14.502 709 HB3 HIS 90 1HB HIS 90 -12.497 -0.980 13.039 710 HD1 HIS 90 1HD HIS 90 -12.434 -2.396 16.195 711 HD2 HIS 90 2HD HIS 90 -12.259 -4.096 12.390 712 HE1 HIS 90 1HE HIS 90 -13.152 -4.813 16.457 713 HE2 HIS 90 2HE HIS 90 -13.048 -5.858 14.147 714 H TRP 91 H TRP 91 -8.784 -0.841 11.038 715 HA TRP 91 HA TRP 91 -8.929 -0.161 8.798 716 HB2 TRP 91 2HB TRP 91 -11.236 -2.124 8.920 717 HB3 TRP 91 1HB TRP 91 -10.680 -1.370 7.430 718 HD1 TRP 91 HD TRP 91 -8.106 -1.875 6.706 719 HE1 TRP 91 1HE TRP 91 -6.677 -3.984 7.088 720 HE3 TRP 91 3HE TRP 91 -10.737 -4.061 10.487 721 HZ2 TRP 91 2HZ TRP 91 -6.658 -6.293 8.776 722 HZ3 TRP 91 3HZ TRP 91 -10.003 -6.212 11.464 723 HH2 TRP 91 HH TRP 91 -7.963 -7.335 10.612 724 H GLN 92 H GLN 92 -10.143 1.538 10.722 725 HA GLN 92 HA GLN 92 -12.472 2.613 9.177 726 HB2 GLN 92 2HB GLN 92 -11.824 2.950 12.125 727 HB3 GLN 92 1HB GLN 92 -13.189 3.690 11.290 728 HG2 GLN 92 2HG GLN 92 -14.061 1.447 10.721 729 HG3 GLN 92 1HG GLN 92 -12.693 0.717 11.555 730 HE21 GLN 92 1HE2 GLN 92 -15.397 0.230 12.395 731 HE22 GLN 92 2HE2 GLN 92 -15.609 0.931 13.926 732 H SER 93 H SER 93 -12.593 5.018 9.195 733 HA SER 93 HA SER 93 -9.852 6.185 9.083 734 HB2 SER 93 2HB SER 93 -11.266 6.265 7.015 735 HB3 SER 93 1HB SER 93 -12.437 7.243 7.897 736 HG SER 93 HG SER 93 -10.043 8.302 8.281 737 H VAL 94 H VAL 94 -9.337 7.945 10.361 738 HA VAL 94 HA VAL 94 -11.496 8.981 12.162 739 HB VAL 94 HB VAL 94 -9.357 9.494 13.648 740 HG11 VAL 94 1HG1 VAL 94 -10.941 6.977 13.303 741 HG12 VAL 94 2HG1 VAL 94 -10.909 8.103 14.661 742 HG13 VAL 94 3HG1 VAL 94 -9.583 6.962 14.430 743 HG21 VAL 94 1HG2 VAL 94 -8.377 6.934 12.464 744 HG22 VAL 94 2HG2 VAL 94 -7.470 8.228 13.247 745 HG23 VAL 94 3HG2 VAL 94 -8.026 8.422 11.584 746 HA PRO 95 HA PRO 95 -10.756 13.047 10.629 747 HB2 PRO 95 2HB PRO 95 -10.501 14.435 13.065 748 HB3 PRO 95 1HB PRO 95 -12.011 14.131 12.189 749 HG2 PRO 95 2HG PRO 95 -10.869 12.730 14.530 750 HG3 PRO 95 1HG PRO 95 -12.561 12.995 14.080 751 HD2 PRO 95 2HD PRO 95 -11.355 10.579 13.795 752 HD3 PRO 95 1HD PRO 95 -12.623 11.139 12.683 753 H ASP 96 H ASP 96 -8.663 12.031 13.302 754 HA ASP 96 HA ASP 96 -6.342 13.152 11.827 755 HB2 ASP 96 2HB ASP 96 -6.970 13.658 14.744 756 HB3 ASP 96 1HB ASP 96 -5.413 14.010 13.994 757 H ASP 97 H ASP 97 -4.420 11.924 12.189 758 HA ASP 97 HA ASP 97 -4.901 9.347 13.594 759 HB2 ASP 97 2HB ASP 97 -2.966 10.161 11.419 760 HB3 ASP 97 1HB ASP 97 -2.890 8.610 12.254 761 H ASP 98 H ASP 98 -4.015 9.236 15.582 762 HA ASP 98 HA ASP 98 -1.799 11.009 16.343 763 HB2 ASP 98 2HB ASP 98 -3.351 8.893 17.848 764 HB3 ASP 98 1HB ASP 98 -2.081 9.881 18.566 765 H ARG 99 H ARG 99 -2.328 7.887 15.121 766 HA ARG 99 HA ARG 99 0.439 7.035 15.804 767 HB2 ARG 99 2HB ARG 99 -0.484 4.722 15.324 768 HB3 ARG 99 1HB ARG 99 -1.149 5.503 16.760 769 HG2 ARG 99 2HG ARG 99 -3.075 6.298 15.354 770 HG3 ARG 99 1HG ARG 99 -2.436 5.340 14.016 771 HD2 ARG 99 2HD ARG 99 -2.605 3.303 15.413 772 HD3 ARG 99 1HD ARG 99 -3.275 4.268 16.726 773 HE ARG 99 HE ARG 99 -4.743 4.454 14.190 774 HH11 ARG 99 1HH1 ARG 99 -6.875 3.706 14.304 775 HH12 ARG 99 2HH1 ARG 99 -7.383 2.784 15.679 776 HH21 ARG 99 1HH2 ARG 99 -4.294 2.920 17.245 777 HH22 ARG 99 2HH2 ARG 99 -5.922 2.339 17.343 778 H ALA 100 H ALA 100 -0.269 8.778 13.574 779 HA ALA 100 HA ALA 100 -0.204 7.051 11.190 780 HB1 ALA 100 1HB ALA 100 0.237 9.633 10.314 781 HB2 ALA 100 2HB ALA 100 -0.728 9.882 11.769 782 HB3 ALA 100 3HB ALA 100 -1.345 8.869 10.463 783 H SER 101 H SER 101 1.572 6.900 9.784 784 HA SER 101 HA SER 101 4.147 8.039 10.800 785 HB2 SER 101 2HB SER 101 5.267 5.982 10.148 786 HB3 SER 101 1HB SER 101 3.929 5.573 11.218 787 HG SER 101 HG SER 101 3.657 5.646 8.402 788 H GLU 102 H GLU 102 5.805 8.228 9.031 789 HA GLU 102 HA GLU 102 4.455 8.916 6.454 790 HB2 GLU 102 2HB GLU 102 7.073 9.924 7.608 791 HB3 GLU 102 1HB GLU 102 6.361 10.440 6.078 792 HG2 GLU 102 2HG GLU 102 4.351 11.234 7.308 793 HG3 GLU 102 1HG GLU 102 5.127 10.784 8.827 794 H ILE 103 H ILE 103 5.243 8.043 4.544 795 HA ILE 103 HA ILE 103 7.475 6.066 4.822 796 HB ILE 103 HB ILE 103 5.102 5.942 2.933 797 HG12 ILE 103 2HG1 ILE 103 5.672 4.290 5.411 798 HG13 ILE 103 1HG1 ILE 103 4.531 5.636 5.362 799 HG21 ILE 103 1HG2 ILE 103 7.532 4.779 2.586 800 HG22 ILE 103 2HG2 ILE 103 6.025 4.037 2.055 801 HG23 ILE 103 3HG2 ILE 103 6.749 3.561 3.590 802 HD11 ILE 103 1HD1 ILE 103 3.152 3.776 4.964 803 HD12 ILE 103 2HD1 ILE 103 4.365 2.974 3.965 804 HD13 ILE 103 3HD1 ILE 103 3.488 4.369 3.338 805 H GLU 104 H GLU 104 9.103 6.205 3.307 806 HA GLU 104 HA GLU 104 8.839 8.396 1.281 807 HB2 GLU 104 2HB GLU 104 11.338 7.209 2.535 808 HB3 GLU 104 1HB GLU 104 11.306 8.518 1.353 809 HG2 GLU 104 2HG GLU 104 9.946 9.877 2.931 810 HG3 GLU 104 1HG GLU 104 10.074 8.583 4.122 811 H VAL 105 H VAL 105 8.766 7.716 -0.805 812 HA VAL 105 HA VAL 105 10.027 5.105 -1.475 813 HB VAL 105 HB VAL 105 7.346 6.045 -2.506 814 HG11 VAL 105 1HG1 VAL 105 8.703 3.337 -2.652 815 HG12 VAL 105 2HG1 VAL 105 8.701 4.514 -3.966 816 HG13 VAL 105 3HG1 VAL 105 7.184 3.798 -3.420 817 HG21 VAL 105 1HG2 VAL 105 8.143 4.439 -0.126 818 HG22 VAL 105 2HG2 VAL 105 6.750 3.875 -1.049 819 HG23 VAL 105 3HG2 VAL 105 6.749 5.494 -0.353 820 H ASP 106 H ASP 106 11.152 5.104 -3.404 821 HA ASP 106 HA ASP 106 10.984 7.606 -5.041 822 HB2 ASP 106 2HB ASP 106 13.355 5.787 -4.529 823 HB3 ASP 106 1HB ASP 106 13.362 7.156 -5.645 824 H PHE 107 H PHE 107 10.475 7.321 -7.198 825 HA PHE 107 HA PHE 107 10.429 4.508 -8.211 826 HB2 PHE 107 2HB PHE 107 8.763 6.935 -8.934 827 HB3 PHE 107 1HB PHE 107 8.730 5.423 -9.837 828 HD1 PHE 107 1HD PHE 107 8.502 6.613 -6.282 829 HD2 PHE 107 2HD PHE 107 7.132 3.842 -9.263 830 HE1 PHE 107 1HE PHE 107 6.870 5.686 -4.673 831 HE2 PHE 107 2HE PHE 107 5.504 2.906 -7.643 832 HZ PHE 107 HZ PHE 107 5.373 3.829 -5.345 833 H VAL 108 H VAL 108 11.828 4.066 -9.855 834 HA VAL 108 HA VAL 108 12.969 6.374 -11.374 835 HB VAL 108 HB VAL 108 14.477 3.820 -11.221 836 HG11 VAL 108 1HG1 VAL 108 15.168 5.957 -12.435 837 HG12 VAL 108 2HG1 VAL 108 16.360 5.287 -11.324 838 HG13 VAL 108 3HG1 VAL 108 15.390 6.677 -10.841 839 HG21 VAL 108 1HG2 VAL 108 14.085 3.834 -8.930 840 HG22 VAL 108 2HG2 VAL 108 13.860 5.582 -8.876 841 HG23 VAL 108 3HG2 VAL 108 15.481 4.906 -9.018 842 HA PRO 109 HA PRO 109 11.033 4.009 -14.714 843 HB2 PRO 109 2HB PRO 109 11.582 5.705 -16.761 844 HB3 PRO 109 1HB PRO 109 10.328 6.054 -15.554 845 HG2 PRO 109 2HG PRO 109 13.097 7.114 -15.764 846 HG3 PRO 109 1HG PRO 109 11.601 7.947 -15.317 847 HD2 PRO 109 2HD PRO 109 13.463 7.070 -13.483 848 HD3 PRO 109 1HD PRO 109 11.737 7.287 -13.110 849 H ASN 110 H ASN 110 12.043 2.257 -15.469 850 HA ASN 110 HA ASN 110 14.717 2.551 -16.739 851 HB2 ASN 110 2HB ASN 110 14.628 1.254 -14.548 852 HB3 ASN 110 1HB ASN 110 13.671 0.052 -15.416 853 HD21 ASN 110 1HD2 ASN 110 15.932 -1.066 -14.580 854 HD22 ASN 110 2HD2 ASN 110 17.123 -1.147 -15.787 855 H GLY 111 H GLY 111 14.534 2.274 -18.911 856 HA2 GLY 111 2HA GLY 111 13.898 1.304 -20.955 857 HA3 GLY 111 1HA GLY 111 13.315 -0.080 -20.029 858 H SER 112 H SER 112 11.696 0.357 -21.999 859 HA SER 112 HA SER 112 9.732 2.439 -21.627 860 HB2 SER 112 2HB SER 112 8.465 1.284 -23.336 861 HB3 SER 112 1HB SER 112 10.166 1.225 -23.789 862 HG SER 112 HG SER 112 9.046 -0.814 -23.942 863 H GLY 113 H GLY 113 10.171 -0.743 -20.253 864 HA2 GLY 113 2HA GLY 113 7.718 -0.289 -18.636 865 HA3 GLY 113 1HA GLY 113 7.869 -1.821 -19.504 866 H GLY 114 H GLY 114 10.367 0.052 -17.753 867 HA2 GLY 114 2HA GLY 114 10.583 -2.209 -15.832 868 HA3 GLY 114 1HA GLY 114 12.030 -1.591 -16.623 869 H THR 115 H THR 115 10.534 -1.451 -13.752 870 HA THR 115 HA THR 115 11.552 1.307 -13.272 871 HB THR 115 HB THR 115 8.818 0.250 -12.555 872 HG1 THR 115 1HG THR 115 9.921 2.294 -14.093 873 HG21 THR 115 1HG2 THR 115 9.610 1.173 -10.498 874 HG22 THR 115 2HG2 THR 115 8.620 2.425 -11.244 875 HG23 THR 115 3HG2 THR 115 10.379 2.528 -11.323 876 H ARG 116 H ARG 116 12.585 1.571 -11.342 877 HA ARG 116 HA ARG 116 12.700 -0.809 -9.533 878 HB2 ARG 116 2HB ARG 116 14.871 -0.139 -10.580 879 HB3 ARG 116 1HB ARG 116 14.702 1.456 -9.841 880 HG2 ARG 116 2HG ARG 116 14.641 0.392 -7.600 881 HG3 ARG 116 1HG ARG 116 14.872 -1.183 -8.357 882 HD2 ARG 116 2HD ARG 116 17.010 -0.349 -9.344 883 HD3 ARG 116 1HD ARG 116 16.794 1.159 -8.456 884 HE ARG 116 HE ARG 116 16.622 -0.816 -6.507 885 HH11 ARG 116 1HH1 ARG 116 18.434 -1.531 -5.360 886 HH12 ARG 116 2HH1 ARG 116 20.009 -1.359 -6.061 887 HH21 ARG 116 1HH2 ARG 116 18.843 0.117 -8.974 888 HH22 ARG 116 2HH2 ARG 116 20.240 -0.426 -8.107 889 H VAL 117 H VAL 117 11.737 -0.495 -7.557 890 HA VAL 117 HA VAL 117 11.364 2.337 -6.657 891 HB VAL 117 HB VAL 117 9.439 0.034 -6.305 892 HG11 VAL 117 1HG1 VAL 117 9.242 2.965 -5.560 893 HG12 VAL 117 2HG1 VAL 117 9.400 1.622 -4.427 894 HG13 VAL 117 3HG1 VAL 117 7.940 1.787 -5.403 895 HG21 VAL 117 1HG2 VAL 117 8.152 2.023 -7.696 896 HG22 VAL 117 2HG2 VAL 117 8.869 0.589 -8.427 897 HG23 VAL 117 3HG2 VAL 117 9.781 2.098 -8.371 898 H GLU 118 H GLU 118 11.766 2.780 -4.545 899 HA GLU 118 HA GLU 118 12.624 0.486 -2.814 900 HB2 GLU 118 2HB GLU 118 13.607 3.366 -2.745 901 HB3 GLU 118 1HB GLU 118 14.177 2.050 -1.718 902 HG2 GLU 118 2HG GLU 118 14.960 0.837 -3.735 903 HG3 GLU 118 1HG GLU 118 14.437 2.190 -4.737 904 H LEU 119 H LEU 119 10.876 0.183 -1.455 905 HA LEU 119 HA LEU 119 9.485 2.613 -0.436 906 HB2 LEU 119 2HB LEU 119 8.150 0.829 -1.617 907 HB3 LEU 119 1HB LEU 119 8.552 -0.260 -0.298 908 HG LEU 119 HG LEU 119 7.445 2.368 0.514 909 HD11 LEU 119 1HD1 LEU 119 5.680 0.223 -0.702 910 HD12 LEU 119 2HD1 LEU 119 6.077 1.745 -1.500 911 HD13 LEU 119 3HD1 LEU 119 5.149 1.750 -0.000 912 HD21 LEU 119 1HD2 LEU 119 7.958 0.634 2.163 913 HD22 LEU 119 2HD2 LEU 119 6.945 -0.521 1.298 914 HD23 LEU 119 3HD2 LEU 119 6.213 0.873 2.091 915 H ALA 120 H ALA 120 9.786 3.189 1.649 916 HA ALA 120 HA ALA 120 10.703 1.097 3.577 917 HB1 ALA 120 1HB ALA 120 12.347 3.082 2.607 918 HB2 ALA 120 2HB ALA 120 12.558 2.271 4.159 919 HB3 ALA 120 3HB ALA 120 11.712 3.816 4.081 920 H HIS 121 H HIS 121 9.672 1.202 5.555 921 HA HIS 121 HA HIS 121 7.842 3.531 6.022 922 HB2 HIS 121 2HB HIS 121 6.167 2.106 6.788 923 HB3 HIS 121 1HB HIS 121 6.893 1.098 5.536 924 HD1 HIS 121 1HD HIS 121 5.711 0.685 8.782 925 HD2 HIS 121 2HD HIS 121 9.337 -0.320 6.987 926 HE1 HIS 121 1HE HIS 121 6.760 -1.104 10.244 927 HE2 HIS 121 2HE HIS 121 8.964 -1.728 9.151 928 H VAL 122 H VAL 122 7.996 4.469 8.088 929 HA VAL 122 HA VAL 122 9.785 3.079 10.030 930 HB VAL 122 HB VAL 122 10.854 5.268 10.532 931 HG11 VAL 122 1HG1 VAL 122 11.590 3.513 8.708 932 HG12 VAL 122 2HG1 VAL 122 12.397 5.078 8.797 933 HG13 VAL 122 3HG1 VAL 122 11.149 4.798 7.582 934 HG21 VAL 122 1HG2 VAL 122 8.741 6.161 8.734 935 HG22 VAL 122 2HG2 VAL 122 10.325 6.711 8.184 936 HG23 VAL 122 3HG2 VAL 122 9.767 7.113 9.808 937 H LYS 123 H LYS 123 9.487 3.601 12.200 938 HA LYS 123 HA LYS 123 8.219 4.062 14.104 939 HB2 LYS 123 2HB LYS 123 7.113 6.417 12.580 940 HB3 LYS 123 1HB LYS 123 7.456 6.288 14.307 941 HG2 LYS 123 2HG LYS 123 9.457 6.431 12.041 942 HG3 LYS 123 1HG LYS 123 9.235 7.589 13.353 943 HD2 LYS 123 2HD LYS 123 9.834 5.714 14.961 944 HD3 LYS 123 1HD LYS 123 10.308 4.763 13.550 945 HE2 LYS 123 2HE LYS 123 12.323 5.785 14.231 946 HE3 LYS 123 1HE LYS 123 11.759 6.806 12.906 947 HZ1 LYS 123 1HZ LYS 123 12.286 8.302 14.578 948 HZ2 LYS 123 2HZ LYS 123 11.649 7.322 15.811 949 HZ3 LYS 123 3HZ LYS 123 10.606 8.131 14.741 950 H LEU 124 H LEU 124 7.010 2.393 11.984 951 HA LEU 124 HA LEU 124 4.197 3.088 11.838 952 HB2 LEU 124 2HB LEU 124 5.740 1.418 10.414 953 HB3 LEU 124 1HB LEU 124 5.058 0.260 11.557 954 HG LEU 124 HG LEU 124 2.793 1.478 10.973 955 HD11 LEU 124 1HD1 LEU 124 2.718 2.741 9.072 956 HD12 LEU 124 2HD1 LEU 124 3.945 1.769 8.260 957 HD13 LEU 124 3HD1 LEU 124 4.427 3.000 9.427 958 HD21 LEU 124 1HD2 LEU 124 2.375 -0.189 9.265 959 HD22 LEU 124 2HD2 LEU 124 3.434 -0.906 10.478 960 HD23 LEU 124 3HD2 LEU 124 4.100 -0.352 8.944 961 H HIS 125 H HIS 125 6.200 1.007 13.871 962 HA HIS 125 HA HIS 125 4.362 -0.450 15.330 963 HB2 HIS 125 2HB HIS 125 6.767 -0.595 15.733 964 HB3 HIS 125 1HB HIS 125 6.758 1.025 16.425 965 HD1 HIS 125 1HD HIS 125 4.825 -2.223 17.024 966 HD2 HIS 125 2HD HIS 125 6.538 0.919 19.167 967 HE1 HIS 125 1HE HIS 125 4.446 -2.735 19.478 968 HE2 HIS 125 2HE HIS 125 5.487 -0.831 20.790 969 H ARG 126 H ARG 126 4.600 2.968 15.242 970 HA ARG 126 HA ARG 126 3.647 3.741 17.754 971 HB2 ARG 126 2HB ARG 126 2.976 4.835 15.025 972 HB3 ARG 126 1HB ARG 126 2.470 5.614 16.524 973 HG2 ARG 126 2HG ARG 126 4.845 5.701 17.244 974 HG3 ARG 126 1HG ARG 126 5.323 5.020 15.692 975 HD2 ARG 126 2HD ARG 126 4.175 6.955 14.567 976 HD3 ARG 126 1HD ARG 126 3.919 7.664 16.162 977 HE ARG 126 HE ARG 126 6.616 7.247 16.166 978 HH11 ARG 126 1HH1 ARG 126 8.142 8.674 15.302 979 HH12 ARG 126 2HH1 ARG 126 7.680 9.737 14.014 980 HH21 ARG 126 1HH2 ARG 126 4.410 8.591 13.884 981 HH22 ARG 126 2HH2 ARG 126 5.568 9.691 13.212 982 H HIS 127 H HIS 127 1.875 2.110 15.169 983 HA HIS 127 HA HIS 127 -0.695 2.610 16.452 984 HB2 HIS 127 2HB HIS 127 -1.447 0.735 14.818 985 HB3 HIS 127 1HB HIS 127 -0.980 2.298 14.165 986 HD1 HIS 127 1HD HIS 127 1.814 0.139 15.321 987 HD2 HIS 127 2HD HIS 127 -0.235 0.863 11.764 988 HE1 HIS 127 1HE HIS 127 3.201 -0.884 13.458 989 HE2 HIS 127 2HE HIS 127 1.964 -0.445 11.297 990 H GLY 128 H GLY 128 1.836 0.423 17.062 991 HA2 GLY 128 2HA GLY 128 1.782 -0.964 19.047 992 HA3 GLY 128 1HA GLY 128 0.029 -1.054 18.895 993 H ASP 129 H ASP 129 1.265 -3.385 19.329 994 HA ASP 129 HA ASP 129 2.241 -4.814 17.070 995 HB2 ASP 129 2HB ASP 129 0.832 -5.778 19.567 996 HB3 ASP 129 1HB ASP 129 1.609 -6.847 18.401 997 H GLY 130 H GLY 130 -1.069 -4.390 18.286 998 HA2 GLY 130 2HA GLY 130 -2.366 -6.281 16.625 999 HA3 GLY 130 1HA GLY 130 -3.123 -4.794 17.211 1000 H ALA 131 H ALA 131 -0.455 -3.770 15.651 1001 HA ALA 131 HA ALA 131 -1.854 -2.616 13.465 1002 HB1 ALA 131 1HB ALA 131 0.239 -1.723 14.387 1003 HB2 ALA 131 2HB ALA 131 0.368 -1.997 12.651 1004 HB3 ALA 131 3HB ALA 131 1.111 -3.128 13.780 1005 H TRP 132 H TRP 132 0.419 -5.419 13.504 1006 HA TRP 132 HA TRP 132 0.317 -5.916 10.735 1007 HB2 TRP 132 2HB TRP 132 1.801 -7.122 12.385 1008 HB3 TRP 132 1HB TRP 132 0.401 -8.106 12.827 1009 HD1 TRP 132 HD TRP 132 -0.551 -9.782 10.997 1010 HE1 TRP 132 1HE TRP 132 0.495 -10.782 8.864 1011 HE3 TRP 132 3HE TRP 132 3.469 -6.659 10.416 1012 HZ2 TRP 132 2HZ TRP 132 2.726 -10.321 7.145 1013 HZ3 TRP 132 3HZ TRP 132 5.029 -6.972 8.524 1014 HH2 TRP 132 HH TRP 132 4.667 -8.797 6.889 1015 H ASN 133 H ASN 133 -2.033 -6.626 13.249 1016 HA ASN 133 HA ASN 133 -3.696 -8.458 11.859 1017 HB2 ASN 133 2HB ASN 133 -3.942 -7.569 14.261 1018 HB3 ASN 133 1HB ASN 133 -4.736 -6.170 13.545 1019 HD21 ASN 133 1HD2 ASN 133 -6.620 -7.152 14.929 1020 HD22 ASN 133 2HD2 ASN 133 -7.602 -8.300 14.156 1021 H ILE 134 H ILE 134 -3.543 -4.919 11.777 1022 HA ILE 134 HA ILE 134 -5.667 -4.469 9.937 1023 HB ILE 134 HB ILE 134 -3.073 -2.967 10.317 1024 HG12 ILE 134 2HG1 ILE 134 -5.840 -2.450 11.449 1025 HG13 ILE 134 1HG1 ILE 134 -4.516 -3.192 12.351 1026 HG21 ILE 134 1HG2 ILE 134 -3.742 -1.860 8.483 1027 HG22 ILE 134 2HG2 ILE 134 -5.033 -1.203 9.491 1028 HG23 ILE 134 3HG2 ILE 134 -5.324 -2.636 8.503 1029 HD11 ILE 134 1HD1 ILE 134 -4.019 -1.059 12.958 1030 HD12 ILE 134 2HD1 ILE 134 -4.942 -0.365 11.625 1031 HD13 ILE 134 3HD1 ILE 134 -3.300 -0.946 11.352 1032 H HIS 135 H HIS 135 -2.210 -5.049 9.525 1033 HA HIS 135 HA HIS 135 -2.156 -5.008 6.668 1034 HB2 HIS 135 2HB HIS 135 -0.092 -4.859 7.949 1035 HB3 HIS 135 1HB HIS 135 -0.394 -6.438 8.673 1036 HD1 HIS 135 1HD HIS 135 -1.456 -6.564 5.264 1037 HD2 HIS 135 2HD HIS 135 2.204 -6.930 7.212 1038 HE1 HIS 135 1HE HIS 135 0.092 -7.692 3.620 1039 HE2 HIS 135 2HE HIS 135 2.345 -7.921 4.793 1040 H LYS 136 H LYS 136 -2.951 -7.504 9.032 1041 HA LYS 136 HA LYS 136 -2.822 -9.791 7.400 1042 HB2 LYS 136 2HB LYS 136 -3.447 -9.750 9.851 1043 HB3 LYS 136 1HB LYS 136 -5.047 -9.218 9.360 1044 HG2 LYS 136 2HG LYS 136 -5.283 -11.237 7.968 1045 HG3 LYS 136 1HG LYS 136 -3.706 -11.785 8.522 1046 HD2 LYS 136 2HD LYS 136 -4.560 -11.697 10.876 1047 HD3 LYS 136 1HD LYS 136 -6.159 -11.314 10.236 1048 HE2 LYS 136 2HE LYS 136 -5.512 -13.509 8.742 1049 HE3 LYS 136 1HE LYS 136 -4.714 -13.889 10.269 1050 HZ1 LYS 136 1HZ LYS 136 -6.694 -14.497 11.021 1051 HZ2 LYS 136 2HZ LYS 136 -7.484 -13.901 9.640 1052 HZ3 LYS 136 3HZ LYS 136 -7.174 -12.872 10.956 1053 H ALA 137 H ALA 137 -5.252 -7.222 7.542 1054 HA ALA 137 HA ALA 137 -7.133 -8.505 5.771 1055 HB1 ALA 137 1HB ALA 137 -8.063 -6.637 6.817 1056 HB2 ALA 137 2HB ALA 137 -7.673 -5.978 5.230 1057 HB3 ALA 137 3HB ALA 137 -6.605 -5.672 6.595 1058 H LEU 138 H LEU 138 -4.392 -6.285 5.230 1059 HA LEU 138 HA LEU 138 -4.704 -6.250 2.357 1060 HB2 LEU 138 2HB LEU 138 -2.282 -5.702 4.094 1061 HB3 LEU 138 1HB LEU 138 -2.341 -5.417 2.360 1062 HG LEU 138 HG LEU 138 -4.195 -4.151 4.398 1063 HD11 LEU 138 1HD1 LEU 138 -1.920 -3.261 4.572 1064 HD12 LEU 138 2HD1 LEU 138 -2.962 -2.068 3.797 1065 HD13 LEU 138 3HD1 LEU 138 -1.853 -3.033 2.824 1066 HD21 LEU 138 1HD2 LEU 138 -4.060 -4.204 1.416 1067 HD22 LEU 138 2HD2 LEU 138 -4.450 -2.660 2.172 1068 HD23 LEU 138 3HD2 LEU 138 -5.466 -4.070 2.472 1069 H ASP 139 H ASP 139 -3.064 -8.369 4.631 1070 HA ASP 139 HA ASP 139 -2.280 -10.558 4.326 1071 HB2 ASP 139 2HB ASP 139 -4.152 -10.204 2.274 1072 HB3 ASP 139 1HB ASP 139 -2.718 -10.850 1.479 1073 H GLY 140 H GLY 140 -0.086 -10.272 4.546 1074 HA2 GLY 140 2HA GLY 140 1.444 -9.939 2.012 1075 HA3 GLY 140 1HA GLY 140 1.913 -9.019 3.441 1076 HA PRO 141 HA PRO 141 2.467 -13.813 4.504 1077 HB2 PRO 141 2HB PRO 141 2.899 -14.742 1.715 1078 HB3 PRO 141 1HB PRO 141 2.042 -15.534 3.048 1079 HG2 PRO 141 2HG PRO 141 0.768 -14.386 0.975 1080 HG3 PRO 141 1HG PRO 141 0.083 -14.463 2.606 1081 HD2 PRO 141 2HD PRO 141 1.194 -12.123 1.152 1082 HD3 PRO 141 1HD PRO 141 -0.001 -12.178 2.463 1083 H SER 142 H SER 142 4.575 -14.568 4.916 1084 HA SER 142 HA SER 142 6.780 -12.943 4.440 1085 HB2 SER 142 2HB SER 142 6.346 -15.587 5.486 1086 HB3 SER 142 1HB SER 142 7.791 -15.590 4.479 1087 HG SER 142 HG SER 142 7.777 -14.849 6.876 1088 HA PRO 143 HA PRO 143 7.962 -15.380 0.521 1089 HB2 PRO 143 2HB PRO 143 6.299 -17.290 -0.461 1090 HB3 PRO 143 1HB PRO 143 7.500 -17.626 0.803 1091 HG2 PRO 143 2HG PRO 143 4.567 -17.269 1.026 1092 HG3 PRO 143 1HG PRO 143 5.656 -18.311 1.954 1093 HD2 PRO 143 2HD PRO 143 4.641 -15.856 2.826 1094 HD3 PRO 143 1HD PRO 143 6.046 -16.692 3.518 1095 H GLY 144 H GLY 144 4.422 -15.740 0.119 1096 HA2 GLY 144 2HA GLY 144 4.519 -14.118 -2.322 1097 HA3 GLY 144 1HA GLY 144 3.076 -14.873 -1.635 1098 H GLU 145 H GLU 145 3.971 -11.950 -2.434 1099 HA GLU 145 HA GLU 145 2.416 -10.703 -0.293 1100 HB2 GLU 145 2HB GLU 145 4.500 -8.963 -0.199 1101 HB3 GLU 145 1HB GLU 145 4.289 -10.278 0.941 1102 HG2 GLU 145 2HG GLU 145 6.577 -10.266 0.049 1103 HG3 GLU 145 1HG GLU 145 5.728 -11.720 -0.468 1104 H THR 146 H THR 146 3.328 -7.977 -0.998 1105 HA THR 146 HA THR 146 1.596 -7.448 -3.169 1106 HB THR 146 HB THR 146 2.431 -5.229 -3.165 1107 HG1 THR 146 1HG THR 146 4.671 -5.437 -1.740 1108 HG21 THR 146 1HG2 THR 146 2.025 -6.568 -0.701 1109 HG22 THR 146 2HG2 THR 146 1.822 -4.851 -1.052 1110 HG23 THR 146 3HG2 THR 146 3.376 -5.456 -0.481 1111 H LEU 147 H LEU 147 5.148 -7.638 -3.160 1112 HA LEU 147 HA LEU 147 5.633 -7.088 -5.845 1113 HB2 LEU 147 2HB LEU 147 7.056 -9.136 -4.125 1114 HB3 LEU 147 1HB LEU 147 7.707 -8.365 -5.572 1115 HG LEU 147 HG LEU 147 6.693 -6.400 -3.676 1116 HD11 LEU 147 1HD1 LEU 147 8.849 -8.327 -2.778 1117 HD12 LEU 147 2HD1 LEU 147 7.331 -7.968 -1.956 1118 HD13 LEU 147 3HD1 LEU 147 8.595 -6.742 -2.051 1119 HD21 LEU 147 1HD2 LEU 147 8.173 -5.836 -5.531 1120 HD22 LEU 147 2HD2 LEU 147 9.391 -6.957 -4.935 1121 HD23 LEU 147 3HD2 LEU 147 9.012 -5.501 -4.015 1122 H ALA 148 H ALA 148 4.493 -10.110 -4.409 1123 HA ALA 148 HA ALA 148 4.833 -11.635 -6.844 1124 HB1 ALA 148 1HB ALA 148 4.302 -13.369 -5.518 1125 HB2 ALA 148 2HB ALA 148 2.743 -12.648 -5.111 1126 HB3 ALA 148 3HB ALA 148 4.185 -12.215 -4.189 1127 H ARG 149 H ARG 149 1.908 -10.349 -5.236 1128 HA ARG 149 HA ARG 149 0.221 -11.061 -7.456 1129 HB2 ARG 149 2HB ARG 149 -1.471 -9.621 -6.253 1130 HB3 ARG 149 1HB ARG 149 -0.794 -10.936 -5.303 1131 HG2 ARG 149 2HG ARG 149 -0.214 -9.413 -3.747 1132 HG3 ARG 149 1HG ARG 149 0.956 -8.778 -4.896 1133 HD2 ARG 149 2HD ARG 149 -0.589 -7.132 -5.709 1134 HD3 ARG 149 1HD ARG 149 -1.945 -7.902 -4.882 1135 HE ARG 149 HE ARG 149 0.049 -6.138 -3.652 1136 HH11 ARG 149 1HH1 ARG 149 -0.360 -5.620 -1.491 1137 HH12 ARG 149 2HH1 ARG 149 -1.554 -6.517 -0.611 1138 HH21 ARG 149 1HH2 ARG 149 -2.359 -8.576 -3.281 1139 HH22 ARG 149 2HH2 ARG 149 -2.684 -8.190 -1.625 1140 H PHE 150 H PHE 150 1.326 -7.834 -6.312 1141 HA PHE 150 HA PHE 150 0.087 -6.529 -8.578 1142 HB2 PHE 150 2HB PHE 150 0.329 -4.735 -7.277 1143 HB3 PHE 150 1HB PHE 150 1.183 -5.736 -6.102 1144 HD1 PHE 150 1HD PHE 150 1.449 -2.944 -8.276 1145 HD2 PHE 150 2HD PHE 150 3.701 -6.205 -6.656 1146 HE1 PHE 150 1HE PHE 150 3.562 -1.735 -8.758 1147 HE2 PHE 150 2HE PHE 150 5.798 -5.023 -7.128 1148 HZ PHE 150 HZ PHE 150 5.733 -2.780 -8.180 1149 H ALA 151 H ALA 151 3.474 -7.490 -7.912 1150 HA ALA 151 HA ALA 151 4.468 -6.057 -10.211 1151 HB1 ALA 151 1HB ALA 151 5.949 -8.451 -9.263 1152 HB2 ALA 151 2HB ALA 151 5.714 -7.143 -8.104 1153 HB3 ALA 151 3HB ALA 151 6.541 -6.832 -9.627 1154 H ASN 152 H ASN 152 3.610 -9.462 -9.690 1155 HA ASN 152 HA ASN 152 4.382 -10.375 -12.281 1156 HB2 ASN 152 2HB ASN 152 3.369 -12.382 -11.721 1157 HB3 ASN 152 1HB ASN 152 3.604 -11.681 -10.119 1158 HD21 ASN 152 1HD2 ASN 152 1.680 -10.472 -9.192 1159 HD22 ASN 152 2HD2 ASN 152 0.116 -10.968 -9.644 1160 H VAL 153 H VAL 153 1.250 -9.161 -11.109 1161 HA VAL 153 HA VAL 153 -0.139 -9.584 -13.589 1162 HB VAL 153 HB VAL 153 -1.794 -8.018 -12.639 1163 HG11 VAL 153 1HG1 VAL 153 -0.693 -10.364 -11.225 1164 HG12 VAL 153 2HG1 VAL 153 -2.354 -10.027 -11.712 1165 HG13 VAL 153 3HG1 VAL 153 -1.708 -9.319 -10.232 1166 HG21 VAL 153 1HG2 VAL 153 -0.385 -6.388 -11.617 1167 HG22 VAL 153 2HG2 VAL 153 0.416 -7.614 -10.639 1168 HG23 VAL 153 3HG2 VAL 153 -1.249 -7.175 -10.302 1169 H ILE 154 H ILE 154 1.707 -6.855 -12.290 1170 HA ILE 154 HA ILE 154 0.880 -4.957 -14.220 1171 HB ILE 154 HB ILE 154 3.335 -5.219 -12.517 1172 HG12 ILE 154 2HG1 ILE 154 1.187 -3.092 -12.686 1173 HG13 ILE 154 1HG1 ILE 154 1.133 -4.455 -11.574 1174 HG21 ILE 154 1HG2 ILE 154 3.831 -2.842 -13.392 1175 HG22 ILE 154 2HG2 ILE 154 2.806 -3.281 -14.757 1176 HG23 ILE 154 3HG2 ILE 154 4.272 -4.202 -14.422 1177 HD11 ILE 154 1HD1 ILE 154 2.066 -2.491 -10.443 1178 HD12 ILE 154 2HD1 ILE 154 3.304 -2.345 -11.692 1179 HD13 ILE 154 3HD1 ILE 154 3.300 -3.740 -10.612 1180 HBC 969 201 HBC PDM 155 8.085 -8.896 0.461 1181 HBD 969 201 HBD PDM 155 8.737 -7.965 1.831 1182 HBE 969 201 HBE PDM 155 8.138 -7.119 0.385 1183 HBA 969 201 HBA PDM 155 6.119 -8.890 1.596 1184 HBB 969 201 HBB PDM 155 6.670 -7.615 2.706 1185 HA0 969 201 0HA PDM 155 3.646 -7.230 0.571 1186 HAY 969 201 HAY PDM 155 4.000 -5.976 1.785 1187 HAZ 969 201 HAZ PDM 155 4.219 -7.696 2.189 1188 HBF 969 201 HBF PDM 155 4.862 -7.372 -0.827 1189 HAQ 969 201 HAQ PDM 155 5.246 -4.078 -5.203 1190 HAL 969 201 HAL PDM 155 7.127 -3.573 -6.892 1191 HAM 969 201 HAM PDM 155 9.031 -1.988 -6.940 1192 HAN 969 201 HAN PDM 155 10.154 -1.343 -4.831 1193 HAE 969 201 HAE PDM 155 10.613 -1.755 -0.056 1194 HAS 969 201 HAS PDM 155 10.398 -3.673 2.791 1195 HAT 969 201 HAT PDM 155 9.475 -2.168 3.027 1196 HAU 969 201 HAU PDM 155 10.975 -2.150 2.071 1197 HAV 969 201 HAV PDM 155 6.300 -5.660 3.283 Start of MODEL 8 1 H1 MET 1 1HT MET 1 6.087 -12.131 10.549 2 H2 MET 1 2HT MET 1 6.316 -11.152 9.180 3 H3 MET 1 3HT MET 1 5.452 -12.609 9.051 4 HA MET 1 HA MET 1 4.435 -10.077 9.547 5 HB2 MET 1 2HB MET 1 2.285 -11.384 9.697 6 HB3 MET 1 1HB MET 1 3.266 -11.786 8.288 7 HG2 MET 1 2HG MET 1 4.136 -13.450 10.428 8 HG3 MET 1 1HG MET 1 2.374 -13.524 10.387 9 HE1 MET 1 1HE MET 1 2.979 -15.787 10.262 10 HE2 MET 1 2HE MET 1 3.494 -16.711 8.853 11 HE3 MET 1 3HE MET 1 1.833 -16.135 8.960 12 HA PRO 2 HA PRO 2 5.006 -11.274 14.117 13 HB2 PRO 2 2HB PRO 2 6.494 -9.031 14.764 14 HB3 PRO 2 1HB PRO 2 7.174 -10.623 14.380 15 HG2 PRO 2 2HG PRO 2 6.955 -8.198 12.692 16 HG3 PRO 2 1HG PRO 2 8.211 -9.446 12.726 17 HD2 PRO 2 2HD PRO 2 6.284 -9.305 10.778 18 HD3 PRO 2 1HD PRO 2 7.072 -10.824 11.268 19 H GLU 3 H GLU 3 3.957 -10.201 15.878 20 HA GLU 3 HA GLU 3 1.736 -8.548 15.188 21 HB2 GLU 3 2HB GLU 3 3.074 -9.027 17.869 22 HB3 GLU 3 1HB GLU 3 1.508 -8.249 17.655 23 HG2 GLU 3 2HG GLU 3 0.670 -10.292 16.516 24 HG3 GLU 3 1HG GLU 3 2.225 -11.071 16.814 25 H GLU 4 H GLU 4 5.028 -7.824 16.111 26 HA GLU 4 HA GLU 4 4.427 -4.955 16.487 27 HB2 GLU 4 2HB GLU 4 6.078 -6.161 17.943 28 HB3 GLU 4 1HB GLU 4 7.094 -6.367 16.519 29 HG2 GLU 4 2HG GLU 4 7.132 -3.895 16.220 30 HG3 GLU 4 1HG GLU 4 6.204 -3.729 17.714 31 H ILE 5 H ILE 5 5.085 -3.352 15.028 32 HA ILE 5 HA ILE 5 6.144 -4.348 12.413 33 HB ILE 5 HB ILE 5 4.724 -1.767 12.410 34 HG12 ILE 5 2HG1 ILE 5 3.391 -3.057 14.084 35 HG13 ILE 5 1HG1 ILE 5 2.500 -2.699 12.614 36 HG21 ILE 5 1HG2 ILE 5 4.555 -4.312 10.794 37 HG22 ILE 5 2HG2 ILE 5 5.419 -2.838 10.356 38 HG23 ILE 5 3HG2 ILE 5 3.657 -2.840 10.436 39 HD11 ILE 5 1HD1 ILE 5 2.701 -5.184 13.714 40 HD12 ILE 5 2HD1 ILE 5 4.021 -5.216 12.547 41 HD13 ILE 5 3HD1 ILE 5 2.376 -4.875 12.008 42 HA PRO 6 HA PRO 6 9.225 -1.305 13.942 43 HB2 PRO 6 2HB PRO 6 11.442 -2.719 13.215 44 HB3 PRO 6 1HB PRO 6 10.581 -2.987 14.743 45 HG2 PRO 6 2HG PRO 6 10.609 -4.613 12.283 46 HG3 PRO 6 1HG PRO 6 10.362 -5.105 13.964 47 HD2 PRO 6 2HD PRO 6 8.346 -4.758 12.015 48 HD3 PRO 6 1HD PRO 6 8.095 -4.957 13.762 49 H ASP 7 H ASP 7 10.935 -0.107 12.683 50 HA ASP 7 HA ASP 7 10.025 0.482 10.026 51 HB2 ASP 7 2HB ASP 7 12.100 1.882 9.914 52 HB3 ASP 7 1HB ASP 7 11.129 2.192 11.351 53 H VAL 8 H VAL 8 10.504 -0.542 8.161 54 HA VAL 8 HA VAL 8 13.076 -2.023 7.942 55 HB VAL 8 HB VAL 8 11.254 -3.641 8.536 56 HG11 VAL 8 1HG1 VAL 8 9.715 -2.081 6.872 57 HG12 VAL 8 2HG1 VAL 8 9.275 -3.693 7.429 58 HG13 VAL 8 3HG1 VAL 8 10.048 -3.484 5.858 59 HG21 VAL 8 1HG2 VAL 8 12.264 -3.917 5.688 60 HG22 VAL 8 2HG2 VAL 8 11.789 -5.228 6.767 61 HG23 VAL 8 3HG2 VAL 8 13.227 -4.272 7.123 62 H ARG 9 H ARG 9 13.981 -1.887 5.871 63 HA ARG 9 HA ARG 9 12.370 -0.377 3.843 64 HB2 ARG 9 2HB ARG 9 14.205 0.986 4.781 65 HB3 ARG 9 1HB ARG 9 15.358 -0.266 4.321 66 HG2 ARG 9 2HG ARG 9 14.742 0.017 1.954 67 HG3 ARG 9 1HG ARG 9 13.578 1.262 2.402 68 HD2 ARG 9 2HD ARG 9 15.449 2.588 3.401 69 HD3 ARG 9 1HD ARG 9 16.580 1.374 2.805 70 HE ARG 9 HE ARG 9 15.163 3.365 1.170 71 HH11 ARG 9 1HH1 ARG 9 15.822 3.432 -0.990 72 HH12 ARG 9 2HH1 ARG 9 16.809 2.157 -1.621 73 HH21 ARG 9 1HH2 ARG 9 16.919 0.404 1.369 74 HH22 ARG 9 2HH2 ARG 9 17.430 0.443 -0.285 75 H LYS 10 H LYS 10 12.050 -1.477 1.985 76 HA LYS 10 HA LYS 10 14.080 -3.491 1.151 77 HB2 LYS 10 2HB LYS 10 11.082 -3.946 1.234 78 HB3 LYS 10 1HB LYS 10 12.253 -5.048 0.509 79 HG2 LYS 10 2HG LYS 10 13.401 -5.214 2.723 80 HG3 LYS 10 1HG LYS 10 12.119 -4.224 3.424 81 HD2 LYS 10 2HD LYS 10 10.449 -5.914 2.658 82 HD3 LYS 10 1HD LYS 10 11.778 -6.925 2.088 83 HE2 LYS 10 2HE LYS 10 12.386 -6.152 4.760 84 HE3 LYS 10 1HE LYS 10 10.717 -6.720 4.743 85 HZ1 LYS 10 1HZ LYS 10 11.461 -8.721 3.593 86 HZ2 LYS 10 2HZ LYS 10 12.238 -8.548 5.093 87 HZ3 LYS 10 3HZ LYS 10 13.065 -8.177 3.656 88 H SER 11 H SER 11 13.886 -4.008 -1.191 89 HA SER 11 HA SER 11 12.216 -2.244 -2.822 90 HB2 SER 11 2HB SER 11 14.032 -1.100 -3.923 91 HB3 SER 11 1HB SER 11 14.155 -0.831 -2.186 92 HG SER 11 HG SER 11 15.539 -2.882 -2.389 93 H VAL 12 H VAL 12 12.223 -2.841 -5.049 94 HA VAL 12 HA VAL 12 13.865 -5.127 -5.888 95 HB VAL 12 HB VAL 12 10.895 -5.346 -5.467 96 HG11 VAL 12 1HG1 VAL 12 11.261 -7.639 -6.576 97 HG12 VAL 12 2HG1 VAL 12 12.762 -6.959 -7.204 98 HG13 VAL 12 3HG1 VAL 12 11.215 -6.238 -7.645 99 HG21 VAL 12 1HG2 VAL 12 12.125 -6.018 -3.527 100 HG22 VAL 12 2HG2 VAL 12 13.327 -6.860 -4.505 101 HG23 VAL 12 3HG2 VAL 12 11.694 -7.511 -4.362 102 H VAL 13 H VAL 13 13.635 -5.559 -8.172 103 HA VAL 13 HA VAL 13 12.565 -3.200 -9.630 104 HB VAL 13 HB VAL 13 14.458 -5.359 -10.604 105 HG11 VAL 13 1HG1 VAL 13 13.033 -3.132 -11.866 106 HG12 VAL 13 2HG1 VAL 13 13.881 -4.486 -12.613 107 HG13 VAL 13 3HG1 VAL 13 14.777 -3.050 -12.114 108 HG21 VAL 13 1HG2 VAL 13 15.375 -2.569 -10.189 109 HG22 VAL 13 2HG2 VAL 13 16.220 -4.086 -9.886 110 HG23 VAL 13 3HG2 VAL 13 15.044 -3.484 -8.719 111 H VAL 14 H VAL 14 10.848 -3.453 -10.967 112 HA VAL 14 HA VAL 14 9.946 -6.235 -11.576 113 HB VAL 14 HB VAL 14 8.490 -5.370 -9.847 114 HG11 VAL 14 1HG1 VAL 14 7.174 -3.177 -10.673 115 HG12 VAL 14 2HG1 VAL 14 8.712 -2.887 -11.485 116 HG13 VAL 14 3HG1 VAL 14 8.662 -3.076 -9.732 117 HG21 VAL 14 1HG2 VAL 14 7.447 -6.537 -11.829 118 HG22 VAL 14 2HG2 VAL 14 7.102 -4.949 -12.515 119 HG23 VAL 14 3HG2 VAL 14 6.354 -5.433 -10.995 120 H ALA 15 H ALA 15 8.706 -6.410 -13.582 121 HA ALA 15 HA ALA 15 9.739 -4.658 -15.655 122 HB1 ALA 15 1HB ALA 15 9.167 -6.401 -16.971 123 HB2 ALA 15 2HB ALA 15 7.471 -6.217 -16.526 124 HB3 ALA 15 3HB ALA 15 8.536 -7.219 -15.541 125 H ALA 16 H ALA 16 8.926 -2.530 -15.224 126 HA ALA 16 HA ALA 16 6.218 -2.031 -16.113 127 HB1 ALA 16 1HB ALA 16 6.727 -1.456 -13.185 128 HB2 ALA 16 2HB ALA 16 5.949 -2.945 -13.723 129 HB3 ALA 16 3HB ALA 16 5.195 -1.388 -14.057 130 H SER 17 H SER 17 5.736 0.318 -15.994 131 HA SER 17 HA SER 17 8.250 1.912 -15.974 132 HB2 SER 17 2HB SER 17 7.073 3.501 -17.388 133 HB3 SER 17 1HB SER 17 6.847 1.895 -18.074 134 HG SER 17 HG SER 17 4.986 2.622 -16.178 135 H VAL 18 H VAL 18 8.256 3.888 -14.707 136 HA VAL 18 HA VAL 18 6.919 3.760 -12.235 137 HB VAL 18 HB VAL 18 7.695 5.984 -11.845 138 HG11 VAL 18 1HG1 VAL 18 9.854 5.350 -11.980 139 HG12 VAL 18 2HG1 VAL 18 9.828 5.458 -13.739 140 HG13 VAL 18 3HG1 VAL 18 9.314 3.973 -12.939 141 HG21 VAL 18 1HG2 VAL 18 6.747 7.139 -13.740 142 HG22 VAL 18 2HG2 VAL 18 7.733 6.207 -14.866 143 HG23 VAL 18 3HG2 VAL 18 8.491 7.390 -13.798 144 H GLU 19 H GLU 19 5.991 5.473 -15.209 145 HA GLU 19 HA GLU 19 3.637 6.700 -14.147 146 HB2 GLU 19 2HB GLU 19 4.671 7.256 -16.365 147 HB3 GLU 19 1HB GLU 19 4.068 5.717 -16.974 148 HG2 GLU 19 2HG GLU 19 1.754 6.415 -16.372 149 HG3 GLU 19 1HG GLU 19 2.388 7.986 -15.876 150 H HIS 20 H HIS 20 4.232 3.543 -15.643 151 HA HIS 20 HA HIS 20 1.493 2.662 -15.597 152 HB2 HIS 20 2HB HIS 20 2.987 1.437 -17.002 153 HB3 HIS 20 1HB HIS 20 4.117 1.163 -15.671 154 HD1 HIS 20 1HD HIS 20 1.059 -0.186 -17.247 155 HD2 HIS 20 2HD HIS 20 3.068 -0.681 -13.615 156 HE1 HIS 20 1HE HIS 20 0.078 -2.241 -16.147 157 HE2 HIS 20 2HE HIS 20 1.307 -2.567 -13.962 158 H CYS 21 H CYS 21 4.213 2.248 -13.373 159 HA CYS 21 HA CYS 21 3.101 0.492 -11.518 160 HB2 CYS 21 2HB CYS 21 4.800 2.941 -10.967 161 HB3 CYS 21 1HB CYS 21 4.583 1.585 -9.869 162 HG CYS 21 HG CYS 21 6.091 1.394 -12.597 163 H PHE 22 H PHE 22 2.734 4.025 -11.670 164 HA PHE 22 HA PHE 22 0.879 3.955 -9.416 165 HB2 PHE 22 2HB PHE 22 2.368 6.003 -10.823 166 HB3 PHE 22 1HB PHE 22 0.689 6.489 -10.533 167 HD1 PHE 22 1HD PHE 22 -0.095 6.976 -8.342 168 HD2 PHE 22 2HD PHE 22 3.721 5.092 -8.904 169 HE1 PHE 22 1HE PHE 22 0.377 7.213 -5.923 170 HE2 PHE 22 2HE PHE 22 4.199 5.336 -6.490 171 HZ PHE 22 HZ PHE 22 2.527 6.387 -5.000 172 H GLU 23 H GLU 23 0.648 4.100 -12.916 173 HA GLU 23 HA GLU 23 -2.061 4.956 -13.083 174 HB2 GLU 23 2HB GLU 23 -0.598 4.705 -15.068 175 HB3 GLU 23 1HB GLU 23 -0.623 2.958 -14.838 176 HG2 GLU 23 2HG GLU 23 -3.084 2.963 -15.091 177 HG3 GLU 23 1HG GLU 23 -3.036 4.704 -15.384 178 H VAL 24 H VAL 24 -0.608 1.774 -12.563 179 HA VAL 24 HA VAL 24 -3.095 0.337 -12.566 180 HB VAL 24 HB VAL 24 -0.402 -0.306 -11.323 181 HG11 VAL 24 1HG1 VAL 24 -1.546 -1.912 -10.234 182 HG12 VAL 24 2HG1 VAL 24 -1.776 -2.664 -11.813 183 HG13 VAL 24 3HG1 VAL 24 -3.017 -1.599 -11.151 184 HG21 VAL 24 1HG2 VAL 24 -0.145 -0.270 -13.677 185 HG22 VAL 24 2HG2 VAL 24 -1.767 -0.907 -13.951 186 HG23 VAL 24 3HG2 VAL 24 -0.499 -1.964 -13.329 187 H PHE 25 H PHE 25 -1.133 1.835 -10.016 188 HA PHE 25 HA PHE 25 -2.570 0.885 -7.764 189 HB2 PHE 25 2HB PHE 25 -1.004 3.408 -8.290 190 HB3 PHE 25 1HB PHE 25 -1.767 3.113 -6.736 191 HD1 PHE 25 1HD PHE 25 0.479 3.177 -5.700 192 HD2 PHE 25 2HD PHE 25 -0.564 0.189 -8.611 193 HE1 PHE 25 1HE PHE 25 2.414 1.806 -5.005 194 HE2 PHE 25 2HE PHE 25 1.359 -1.160 -7.914 195 HZ PHE 25 HZ PHE 25 2.850 -0.367 -6.116 196 H THR 26 H THR 26 -3.111 3.749 -9.791 197 HA THR 26 HA THR 26 -5.483 4.432 -8.212 198 HB THR 26 HB THR 26 -5.626 6.359 -9.827 199 HG1 THR 26 1HG THR 26 -3.171 5.236 -10.681 200 HG21 THR 26 1HG2 THR 26 -3.376 5.761 -7.976 201 HG22 THR 26 2HG2 THR 26 -4.569 7.062 -7.912 202 HG23 THR 26 3HG2 THR 26 -3.195 7.176 -9.013 203 H SER 27 H SER 27 -4.900 2.315 -10.718 204 HA SER 27 HA SER 27 -7.490 2.850 -12.036 205 HB2 SER 27 2HB SER 27 -5.284 0.905 -12.688 206 HB3 SER 27 1HB SER 27 -6.750 1.106 -13.631 207 HG SER 27 HG SER 27 -6.086 3.423 -13.647 208 H ARG 28 H ARG 28 -5.864 -0.010 -10.507 209 HA ARG 28 HA ARG 28 -8.252 -0.755 -9.089 210 HB2 ARG 28 2HB ARG 28 -8.837 -2.793 -10.375 211 HB3 ARG 28 1HB ARG 28 -9.142 -1.320 -11.278 212 HG2 ARG 28 2HG ARG 28 -6.468 -2.660 -11.587 213 HG3 ARG 28 1HG ARG 28 -7.858 -3.381 -12.384 214 HD2 ARG 28 2HD ARG 28 -8.017 -0.629 -12.968 215 HD3 ARG 28 1HD ARG 28 -6.316 -1.056 -13.132 216 HE ARG 28 HE ARG 28 -6.880 -2.385 -15.002 217 HH11 ARG 28 1HH1 ARG 28 -8.356 -3.182 -16.517 218 HH12 ARG 28 2HH1 ARG 28 -10.055 -3.055 -16.202 219 HH21 ARG 28 1HH2 ARG 28 -9.637 -1.494 -13.134 220 HH22 ARG 28 2HH2 ARG 28 -10.779 -2.100 -14.286 221 HA PRO 29 HA PRO 29 -4.063 -2.798 -8.095 222 HB2 PRO 29 2HB PRO 29 -4.284 -2.086 -5.392 223 HB3 PRO 29 1HB PRO 29 -3.286 -1.269 -6.606 224 HG2 PRO 29 2HG PRO 29 -5.949 -0.537 -5.542 225 HG3 PRO 29 1HG PRO 29 -4.619 0.502 -6.080 226 HD2 PRO 29 2HD PRO 29 -6.833 0.124 -7.592 227 HD3 PRO 29 1HD PRO 29 -5.232 0.356 -8.320 228 H ALA 30 H ALA 30 -7.217 -2.794 -6.463 229 HA ALA 30 HA ALA 30 -6.734 -5.268 -5.026 230 HB1 ALA 30 1HB ALA 30 -9.297 -5.265 -4.869 231 HB2 ALA 30 2HB ALA 30 -9.240 -3.733 -5.737 232 HB3 ALA 30 3HB ALA 30 -8.468 -3.883 -4.159 233 H ASP 31 H ASP 31 -8.135 -4.424 -8.141 234 HA ASP 31 HA ASP 31 -9.160 -7.018 -8.794 235 HB2 ASP 31 2HB ASP 31 -9.733 -4.854 -9.959 236 HB3 ASP 31 1HB ASP 31 -8.155 -4.935 -10.742 237 H TRP 32 H TRP 32 -5.925 -6.002 -8.460 238 HA TRP 32 HA TRP 32 -4.472 -7.120 -10.513 239 HB2 TRP 32 2HB TRP 32 -4.021 -7.287 -7.540 240 HB3 TRP 32 1HB TRP 32 -2.916 -8.083 -8.649 241 HD1 TRP 32 HD TRP 32 -2.761 -5.831 -10.910 242 HE1 TRP 32 1HE TRP 32 -1.534 -3.638 -10.402 243 HE3 TRP 32 3HE TRP 32 -2.908 -5.903 -5.822 244 HZ2 TRP 32 2HZ TRP 32 -0.711 -2.106 -8.132 245 HZ3 TRP 32 3HZ TRP 32 -1.891 -4.073 -4.510 246 HH2 TRP 32 HH TRP 32 -0.793 -2.174 -5.647 247 H TRP 33 H TRP 33 -5.993 -8.978 -7.864 248 HA TRP 33 HA TRP 33 -5.090 -11.525 -8.833 249 HB2 TRP 33 2HB TRP 33 -7.449 -10.779 -7.084 250 HB3 TRP 33 1HB TRP 33 -6.924 -12.437 -7.376 251 HD1 TRP 33 HD TRP 33 -5.893 -9.221 -5.614 252 HE1 TRP 33 1HE TRP 33 -3.970 -9.744 -3.977 253 HE3 TRP 33 3HE TRP 33 -4.926 -14.066 -6.907 254 HZ2 TRP 33 2HZ TRP 33 -2.249 -11.928 -3.307 255 HZ3 TRP 33 3HZ TRP 33 -3.141 -15.343 -5.755 256 HH2 TRP 33 HH TRP 33 -1.803 -14.281 -3.958 257 HA PRO 34 HA PRO 34 -7.909 -11.995 -12.242 258 HB2 PRO 34 2HB PRO 34 -7.909 -14.713 -12.506 259 HB3 PRO 34 1HB PRO 34 -6.538 -13.696 -12.989 260 HG2 PRO 34 2HG PRO 34 -6.908 -15.331 -10.531 261 HG3 PRO 34 1HG PRO 34 -5.455 -15.078 -11.513 262 HD2 PRO 34 2HD PRO 34 -5.915 -13.770 -9.141 263 HD3 PRO 34 1HD PRO 34 -4.918 -13.103 -10.453 264 HA PRO 35 HA PRO 35 -11.901 -12.750 -10.420 265 HB2 PRO 35 2HB PRO 35 -13.326 -13.419 -12.694 266 HB3 PRO 35 1HB PRO 35 -12.939 -11.759 -12.202 267 HG2 PRO 35 2HG PRO 35 -11.633 -13.486 -14.235 268 HG3 PRO 35 1HG PRO 35 -11.930 -11.739 -14.254 269 HD2 PRO 35 2HD PRO 35 -9.478 -12.805 -13.710 270 HD3 PRO 35 1HD PRO 35 -10.032 -11.265 -13.014 271 H SER 36 H SER 36 -10.567 -15.189 -12.611 272 HA SER 36 HA SER 36 -12.387 -17.300 -12.023 273 HB2 SER 36 2HB SER 36 -10.664 -17.316 -13.855 274 HB3 SER 36 1HB SER 36 -9.429 -17.573 -12.626 275 HG SER 36 HG SER 36 -9.932 -19.599 -12.808 276 H HIS 37 H HIS 37 -9.364 -16.312 -10.408 277 HA HIS 37 HA HIS 37 -10.306 -17.682 -7.965 278 HB2 HIS 37 2HB HIS 37 -8.987 -19.393 -9.210 279 HB3 HIS 37 1HB HIS 37 -7.602 -18.301 -9.192 280 HD1 HIS 37 1HD HIS 37 -10.019 -19.774 -6.616 281 HD2 HIS 37 2HD HIS 37 -5.995 -18.742 -6.996 282 HE1 HIS 37 1HE HIS 37 -8.901 -20.429 -4.436 283 HE2 HIS 37 2HE HIS 37 -6.452 -19.804 -4.657 284 H VAL 38 H VAL 38 -9.759 -16.486 -6.188 285 HA VAL 38 HA VAL 38 -7.488 -14.563 -6.431 286 HB VAL 38 HB VAL 38 -9.619 -13.344 -6.801 287 HG11 VAL 38 1HG1 VAL 38 -10.312 -14.215 -3.982 288 HG12 VAL 38 2HG1 VAL 38 -10.990 -14.964 -5.426 289 HG13 VAL 38 3HG1 VAL 38 -11.312 -13.265 -5.080 290 HG21 VAL 38 1HG2 VAL 38 -8.894 -12.511 -4.045 291 HG22 VAL 38 2HG2 VAL 38 -8.930 -11.565 -5.531 292 HG23 VAL 38 3HG2 VAL 38 -7.556 -12.618 -5.189 293 H LEU 39 H LEU 39 -6.245 -14.418 -4.570 294 HA LEU 39 HA LEU 39 -7.145 -16.094 -2.259 295 HB2 LEU 39 2HB LEU 39 -5.055 -16.833 -3.434 296 HB3 LEU 39 1HB LEU 39 -4.319 -15.288 -3.007 297 HG LEU 39 HG LEU 39 -4.809 -15.804 -0.590 298 HD11 LEU 39 1HD1 LEU 39 -6.107 -18.094 -1.872 299 HD12 LEU 39 2HD1 LEU 39 -6.299 -17.467 -0.235 300 HD13 LEU 39 3HD1 LEU 39 -4.980 -18.577 -0.606 301 HD21 LEU 39 1HD2 LEU 39 -2.646 -16.429 -0.659 302 HD22 LEU 39 2HD2 LEU 39 -2.818 -16.940 -2.338 303 HD23 LEU 39 3HD2 LEU 39 -3.167 -18.072 -1.033 304 H VAL 40 H VAL 40 -7.787 -14.893 -0.549 305 HA VAL 40 HA VAL 40 -6.177 -12.773 0.547 306 HB VAL 40 HB VAL 40 -7.146 -11.553 -1.400 307 HG11 VAL 40 1HG1 VAL 40 -9.234 -12.889 -1.543 308 HG12 VAL 40 2HG1 VAL 40 -9.556 -11.156 -1.490 309 HG13 VAL 40 3HG1 VAL 40 -9.794 -12.142 -0.047 310 HG21 VAL 40 1HG2 VAL 40 -6.645 -10.293 0.627 311 HG22 VAL 40 2HG2 VAL 40 -8.198 -10.747 1.323 312 HG23 VAL 40 3HG2 VAL 40 -8.142 -9.682 -0.079 313 H LYS 41 H LYS 41 -6.815 -12.428 2.702 314 HA LYS 41 HA LYS 41 -8.655 -14.266 3.886 315 HB2 LYS 41 2HB LYS 41 -7.572 -11.644 4.939 316 HB3 LYS 41 1HB LYS 41 -8.443 -12.824 5.915 317 HG2 LYS 41 2HG LYS 41 -6.724 -14.531 5.311 318 HG3 LYS 41 1HG LYS 41 -5.825 -13.278 4.455 319 HD2 LYS 41 2HD LYS 41 -5.705 -11.970 6.580 320 HD3 LYS 41 1HD LYS 41 -6.486 -13.315 7.413 321 HE2 LYS 41 2HE LYS 41 -3.904 -13.572 5.847 322 HE3 LYS 41 1HE LYS 41 -3.975 -13.337 7.592 323 HZ1 LYS 41 1HZ LYS 41 -5.408 -15.542 6.235 324 HZ2 LYS 41 2HZ LYS 41 -5.056 -15.378 7.888 325 HZ3 LYS 41 3HZ LYS 41 -3.811 -15.704 6.780 326 H LYS 42 H LYS 42 -8.978 -10.925 2.815 327 HA LYS 42 HA LYS 42 -11.934 -11.136 3.232 328 HB2 LYS 42 2HB LYS 42 -11.992 -8.734 3.548 329 HB3 LYS 42 1HB LYS 42 -10.754 -9.380 4.627 330 HG2 LYS 42 2HG LYS 42 -9.035 -8.857 2.871 331 HG3 LYS 42 1HG LYS 42 -10.299 -8.064 1.932 332 HD2 LYS 42 2HD LYS 42 -10.757 -6.634 3.990 333 HD3 LYS 42 1HD LYS 42 -9.258 -7.280 4.658 334 HE2 LYS 42 2HE LYS 42 -8.454 -6.548 2.144 335 HE3 LYS 42 1HE LYS 42 -9.656 -5.308 2.499 336 HZ1 LYS 42 1HZ LYS 42 -7.532 -4.588 3.291 337 HZ2 LYS 42 2HZ LYS 42 -7.302 -6.030 4.158 338 HZ3 LYS 42 3HZ LYS 42 -8.509 -4.934 4.633 339 H GLU 43 H GLU 43 -13.197 -10.701 1.391 340 HA GLU 43 HA GLU 43 -11.741 -10.633 -1.149 341 HB2 GLU 43 2HB GLU 43 -13.803 -12.005 -0.821 342 HB3 GLU 43 1HB GLU 43 -14.721 -10.511 -0.671 343 HG2 GLU 43 2HG GLU 43 -13.924 -9.826 -2.930 344 HG3 GLU 43 1HG GLU 43 -13.111 -11.384 -3.083 345 H ARG 44 H ARG 44 -11.146 -8.773 -2.123 346 HA ARG 44 HA ARG 44 -12.092 -6.194 -1.159 347 HB2 ARG 44 2HB ARG 44 -10.478 -6.833 -3.655 348 HB3 ARG 44 1HB ARG 44 -10.609 -5.260 -2.860 349 HG2 ARG 44 2HG ARG 44 -9.646 -6.315 -0.782 350 HG3 ARG 44 1HG ARG 44 -9.350 -7.773 -1.724 351 HD2 ARG 44 2HD ARG 44 -8.014 -6.370 -3.336 352 HD3 ARG 44 1HD ARG 44 -8.178 -5.024 -2.209 353 HE ARG 44 HE ARG 44 -6.510 -6.032 -0.895 354 HH11 ARG 44 1HH1 ARG 44 -5.146 -7.732 -0.295 355 HH12 ARG 44 2HH1 ARG 44 -5.372 -9.296 -1.003 356 HH21 ARG 44 1HH2 ARG 44 -8.058 -8.314 -2.964 357 HH22 ARG 44 2HH2 ARG 44 -7.020 -9.626 -2.514 358 H ALA 45 H ALA 45 -13.613 -4.841 -2.182 359 HA ALA 45 HA ALA 45 -15.184 -6.153 -4.369 360 HB1 ALA 45 1HB ALA 45 -15.913 -4.561 -1.967 361 HB2 ALA 45 2HB ALA 45 -16.754 -5.920 -2.714 362 HB3 ALA 45 3HB ALA 45 -16.888 -4.307 -3.415 363 H GLY 46 H GLY 46 -14.193 -2.917 -3.196 364 HA2 GLY 46 2HA GLY 46 -13.773 -2.081 -5.989 365 HA3 GLY 46 1HA GLY 46 -15.072 -1.241 -5.149 366 H LEU 47 H LEU 47 -13.040 0.347 -5.953 367 HA LEU 47 HA LEU 47 -11.901 1.172 -3.383 368 HB2 LEU 47 2HB LEU 47 -9.697 1.341 -5.169 369 HB3 LEU 47 1HB LEU 47 -9.821 0.378 -3.697 370 HG LEU 47 HG LEU 47 -10.789 -1.485 -4.971 371 HD11 LEU 47 1HD1 LEU 47 -11.173 0.606 -6.945 372 HD12 LEU 47 2HD1 LEU 47 -11.870 -1.013 -6.898 373 HD13 LEU 47 3HD1 LEU 47 -10.294 -0.753 -7.645 374 HD21 LEU 47 1HD2 LEU 47 -8.765 -1.695 -6.661 375 HD22 LEU 47 2HD2 LEU 47 -8.484 -1.737 -4.921 376 HD23 LEU 47 3HD2 LEU 47 -8.200 -0.252 -5.823 377 H ALA 48 H ALA 48 -11.542 3.379 -3.313 378 HA ALA 48 HA ALA 48 -12.185 4.871 -5.814 379 HB1 ALA 48 1HB ALA 48 -11.972 6.326 -3.231 380 HB2 ALA 48 2HB ALA 48 -13.304 5.177 -3.354 381 HB3 ALA 48 3HB ALA 48 -13.164 6.494 -4.518 382 H PHE 49 H PHE 49 -10.650 6.339 -6.634 383 HA PHE 49 HA PHE 49 -8.111 6.629 -5.096 384 HB2 PHE 49 2HB PHE 49 -8.577 5.151 -7.591 385 HB3 PHE 49 1HB PHE 49 -7.250 6.306 -7.681 386 HD1 PHE 49 1HD PHE 49 -8.367 3.121 -6.397 387 HD2 PHE 49 2HD PHE 49 -5.394 6.187 -5.968 388 HE1 PHE 49 1HE PHE 49 -6.874 1.513 -5.250 389 HE2 PHE 49 2HE PHE 49 -3.900 4.578 -4.813 390 HZ PHE 49 HZ PHE 49 -4.637 2.240 -4.472 391 H GLU 50 H GLU 50 -7.622 8.789 -5.059 392 HA GLU 50 HA GLU 50 -8.097 10.320 -7.570 393 HB2 GLU 50 2HB GLU 50 -8.667 11.372 -4.793 394 HB3 GLU 50 1HB GLU 50 -8.849 12.272 -6.291 395 HG2 GLU 50 2HG GLU 50 -10.362 9.770 -5.495 396 HG3 GLU 50 1HG GLU 50 -11.019 11.406 -5.562 397 HA PRO 51 HA PRO 51 -3.807 11.373 -6.718 398 HB2 PRO 51 2HB PRO 51 -3.338 13.088 -8.716 399 HB3 PRO 51 1HB PRO 51 -3.716 11.384 -9.052 400 HG2 PRO 51 2HG PRO 51 -5.498 13.777 -9.191 401 HG3 PRO 51 1HG PRO 51 -5.343 12.423 -10.324 402 HD2 PRO 51 2HD PRO 51 -7.329 12.601 -8.404 403 HD3 PRO 51 1HD PRO 51 -6.747 11.076 -9.113 404 H PHE 52 H PHE 52 -2.637 12.944 -5.546 405 HA PHE 52 HA PHE 52 -2.824 15.697 -5.566 406 HB2 PHE 52 2HB PHE 52 -4.335 15.965 -3.410 407 HB3 PHE 52 1HB PHE 52 -5.060 15.951 -5.010 408 HD1 PHE 52 1HD PHE 52 -7.217 15.237 -3.992 409 HD2 PHE 52 2HD PHE 52 -3.696 12.793 -3.682 410 HE1 PHE 52 1HE PHE 52 -8.605 13.287 -3.335 411 HE2 PHE 52 2HE PHE 52 -5.090 10.858 -3.055 412 HZ PHE 52 HZ PHE 52 -7.524 11.096 -2.871 413 H VAL 53 H VAL 53 -2.352 16.697 -3.261 414 HA VAL 53 HA VAL 53 -0.220 15.053 -2.039 415 HB VAL 53 HB VAL 53 -1.004 17.935 -1.562 416 HG11 VAL 53 1HG1 VAL 53 1.743 17.010 -1.035 417 HG12 VAL 53 2HG1 VAL 53 0.519 16.343 0.046 418 HG13 VAL 53 3HG1 VAL 53 0.720 18.088 -0.088 419 HG21 VAL 53 1HG2 VAL 53 -0.213 18.072 -3.717 420 HG22 VAL 53 2HG2 VAL 53 0.726 16.587 -3.572 421 HG23 VAL 53 3HG2 VAL 53 1.335 18.088 -2.873 422 H GLY 54 H GLY 54 -0.376 14.362 0.170 423 HA2 GLY 54 2HA GLY 54 -1.531 13.837 2.177 424 HA3 GLY 54 1HA GLY 54 -2.450 15.339 1.946 425 H GLY 55 H GLY 55 -2.071 12.931 -0.467 426 HA2 GLY 55 2HA GLY 55 -4.839 12.802 -1.087 427 HA3 GLY 55 1HA GLY 55 -3.564 11.783 -1.745 428 H ARG 56 H ARG 56 -5.838 10.512 -1.521 429 HA ARG 56 HA ARG 56 -5.308 8.651 0.716 430 HB2 ARG 56 2HB ARG 56 -7.957 10.073 0.339 431 HB3 ARG 56 1HB ARG 56 -7.725 8.673 1.385 432 HG2 ARG 56 2HG ARG 56 -5.962 9.954 2.619 433 HG3 ARG 56 1HG ARG 56 -6.363 11.368 1.646 434 HD2 ARG 56 2HD ARG 56 -8.267 9.873 3.469 435 HD3 ARG 56 1HD ARG 56 -7.556 11.455 3.787 436 HE ARG 56 HE ARG 56 -8.838 11.763 1.341 437 HH11 ARG 56 1HH1 ARG 56 -10.980 12.466 1.186 438 HH12 ARG 56 2HH1 ARG 56 -12.056 12.223 2.523 439 HH21 ARG 56 1HH2 ARG 56 -9.669 10.676 4.506 440 HH22 ARG 56 2HH2 ARG 56 -11.314 11.209 4.401 441 H TYR 57 H TYR 57 -6.052 6.570 0.331 442 HA TYR 57 HA TYR 57 -7.393 6.090 -2.298 443 HB2 TYR 57 2HB TYR 57 -5.456 4.221 -0.894 444 HB3 TYR 57 1HB TYR 57 -6.164 3.998 -2.491 445 HD1 TYR 57 1HD TYR 57 -3.164 4.515 -1.190 446 HD2 TYR 57 2HD TYR 57 -5.879 6.651 -3.754 447 HE1 TYR 57 1HE TYR 57 -1.262 5.752 -2.188 448 HE2 TYR 57 2HE TYR 57 -3.982 7.888 -4.735 449 HH TYR 57 HH TYR 57 -0.634 7.110 -3.872 450 H TYR 58 H TYR 58 -9.163 4.699 -2.218 451 HA TYR 58 HA TYR 58 -9.959 3.818 0.531 452 HB2 TYR 58 2HB TYR 58 -11.777 4.584 -1.761 453 HB3 TYR 58 1HB TYR 58 -12.230 4.318 -0.077 454 HD1 TYR 58 1HD TYR 58 -12.272 6.122 1.418 455 HD2 TYR 58 2HD TYR 58 -9.959 6.429 -2.193 456 HE1 TYR 58 1HE TYR 58 -11.748 8.486 1.948 457 HE2 TYR 58 2HE TYR 58 -9.438 8.786 -1.659 458 HH TYR 58 HH TYR 58 -9.549 10.115 1.104 459 H GLU 59 H GLU 59 -10.850 1.782 0.780 460 HA GLU 59 HA GLU 59 -10.960 0.032 -1.647 461 HB2 GLU 59 2HB GLU 59 -8.913 -0.384 -0.266 462 HB3 GLU 59 1HB GLU 59 -9.957 -0.765 1.103 463 HG2 GLU 59 2HG GLU 59 -11.013 -2.570 -0.249 464 HG3 GLU 59 1HG GLU 59 -9.880 -2.220 -1.557 465 H TRP 60 H TRP 60 -12.674 -1.432 -1.679 466 HA TRP 60 HA TRP 60 -14.694 -1.083 0.501 467 HB2 TRP 60 2HB TRP 60 -14.840 -1.347 -2.436 468 HB3 TRP 60 1HB TRP 60 -16.019 -2.318 -1.552 469 HD1 TRP 60 HD TRP 60 -17.108 -0.688 0.647 470 HE1 TRP 60 1HE TRP 60 -18.222 1.618 0.297 471 HE3 TRP 60 3HE TRP 60 -15.092 0.602 -3.863 472 HZ2 TRP 60 2HZ TRP 60 -18.234 3.737 -1.643 473 HZ3 TRP 60 3HZ TRP 60 -15.657 2.756 -4.935 474 HH2 TRP 60 HH TRP 60 -17.222 4.321 -3.836 475 H ASP 61 H ASP 61 -15.167 -2.859 1.726 476 HA ASP 61 HA ASP 61 -14.308 -5.529 0.650 477 HB2 ASP 61 2HB ASP 61 -14.367 -4.614 3.540 478 HB3 ASP 61 1HB ASP 61 -13.943 -6.235 2.990 479 H ILE 62 H ILE 62 -15.870 -7.140 0.694 480 HA ILE 62 HA ILE 62 -18.590 -6.453 0.794 481 HB ILE 62 HB ILE 62 -19.074 -8.807 0.756 482 HG12 ILE 62 2HG1 ILE 62 -17.668 -9.514 2.650 483 HG13 ILE 62 1HG1 ILE 62 -17.373 -10.518 1.243 484 HG21 ILE 62 1HG2 ILE 62 -16.699 -9.313 -0.688 485 HG22 ILE 62 2HG2 ILE 62 -17.071 -7.602 -0.893 486 HG23 ILE 62 3HG2 ILE 62 -18.267 -8.824 -1.326 487 HD11 ILE 62 1HD1 ILE 62 -15.211 -10.040 2.041 488 HD12 ILE 62 2HD1 ILE 62 -15.613 -8.370 2.414 489 HD13 ILE 62 3HD1 ILE 62 -15.422 -8.874 0.741 490 H ASP 63 H ASP 63 -16.411 -7.182 3.396 491 HA ASP 63 HA ASP 63 -18.701 -7.285 5.305 492 HB2 ASP 63 2HB ASP 63 -15.773 -8.012 5.638 493 HB3 ASP 63 1HB ASP 63 -16.956 -8.037 6.946 494 H GLY 64 H GLY 64 -16.036 -5.402 4.171 495 HA2 GLY 64 2HA GLY 64 -16.429 -3.465 6.401 496 HA3 GLY 64 1HA GLY 64 -14.943 -3.598 5.470 497 H THR 65 H THR 65 -17.324 -1.565 5.921 498 HA THR 65 HA THR 65 -18.437 -0.940 3.391 499 HB THR 65 HB THR 65 -17.657 1.173 5.369 500 HG1 THR 65 1HG THR 65 -18.398 -0.526 6.625 501 HG21 THR 65 1HG2 THR 65 -19.370 2.337 4.438 502 HG22 THR 65 2HG2 THR 65 -20.405 0.911 4.340 503 HG23 THR 65 3HG2 THR 65 -19.181 1.199 3.104 504 H GLU 66 H GLU 66 -17.459 1.884 3.397 505 HA GLU 66 HA GLU 66 -15.030 1.420 1.750 506 HB2 GLU 66 2HB GLU 66 -17.127 2.908 1.115 507 HB3 GLU 66 1HB GLU 66 -16.320 4.099 2.116 508 HG2 GLU 66 2HG GLU 66 -14.253 3.765 0.774 509 HG3 GLU 66 1HG GLU 66 -15.168 2.711 -0.300 510 H ILE 67 H ILE 67 -13.029 2.056 2.508 511 HA ILE 67 HA ILE 67 -12.875 4.100 4.627 512 HB ILE 67 HB ILE 67 -13.177 1.806 5.721 513 HG12 ILE 67 2HG1 ILE 67 -10.529 3.074 6.394 514 HG13 ILE 67 1HG1 ILE 67 -12.046 3.914 6.714 515 HG21 ILE 67 1HG2 ILE 67 -10.296 1.436 4.888 516 HG22 ILE 67 2HG2 ILE 67 -11.634 0.711 3.997 517 HG23 ILE 67 3HG2 ILE 67 -11.354 0.270 5.681 518 HD11 ILE 67 1HD1 ILE 67 -11.450 1.111 7.688 519 HD12 ILE 67 2HD1 ILE 67 -12.813 2.134 8.142 520 HD13 ILE 67 3HD1 ILE 67 -11.182 2.557 8.661 521 H VAL 68 H VAL 68 -10.532 4.646 5.105 522 HA VAL 68 HA VAL 68 -8.976 4.435 2.577 523 HB VAL 68 HB VAL 68 -8.520 6.238 4.976 524 HG11 VAL 68 1HG1 VAL 68 -6.543 5.756 3.504 525 HG12 VAL 68 2HG1 VAL 68 -7.024 7.452 3.498 526 HG13 VAL 68 3HG1 VAL 68 -7.453 6.408 2.143 527 HG21 VAL 68 1HG2 VAL 68 -9.377 7.577 2.568 528 HG22 VAL 68 2HG2 VAL 68 -10.120 7.602 4.167 529 HG23 VAL 68 3HG2 VAL 68 -10.556 6.342 3.012 530 H TRP 69 H TRP 69 -7.171 3.164 2.523 531 HA TRP 69 HA TRP 69 -6.197 2.077 5.136 532 HB2 TRP 69 2HB TRP 69 -5.696 0.065 4.086 533 HB3 TRP 69 1HB TRP 69 -7.127 0.569 3.190 534 HD1 TRP 69 HD TRP 69 -3.314 0.393 2.894 535 HE1 TRP 69 1HE TRP 69 -2.673 0.539 0.406 536 HE3 TRP 69 3HE TRP 69 -7.894 1.325 0.852 537 HZ2 TRP 69 2HZ TRP 69 -3.929 0.959 -2.117 538 HZ3 TRP 69 3HZ TRP 69 -8.134 1.573 -1.602 539 HH2 TRP 69 HH TRP 69 -6.173 1.393 -3.080 540 H GLY 70 H GLY 70 -5.398 4.432 2.999 541 HA2 GLY 70 2HA GLY 70 -2.597 4.392 3.868 542 HA3 GLY 70 1HA GLY 70 -2.816 4.182 2.133 543 H ARG 71 H ARG 71 -1.436 6.342 2.660 544 HA ARG 71 HA ARG 71 -3.295 8.560 2.057 545 HB2 ARG 71 2HB ARG 71 -2.466 8.288 4.653 546 HB3 ARG 71 1HB ARG 71 -1.186 9.298 3.990 547 HG2 ARG 71 2HG ARG 71 -2.982 10.796 3.033 548 HG3 ARG 71 1HG ARG 71 -4.149 9.874 3.980 549 HD2 ARG 71 2HD ARG 71 -3.534 11.797 5.293 550 HD3 ARG 71 1HD ARG 71 -2.759 10.395 6.029 551 HE ARG 71 HE ARG 71 -0.953 11.538 4.141 552 HH11 ARG 71 1HH1 ARG 71 0.731 12.835 4.913 553 HH12 ARG 71 2HH1 ARG 71 0.610 13.538 6.490 554 HH21 ARG 71 1HH2 ARG 71 -2.502 12.162 7.157 555 HH22 ARG 71 2HH2 ARG 71 -1.220 13.157 7.762 556 H ILE 72 H ILE 72 -1.690 10.612 1.725 557 HA ILE 72 HA ILE 72 0.774 9.657 0.360 558 HB ILE 72 HB ILE 72 -1.400 11.390 -0.812 559 HG12 ILE 72 2HG1 ILE 72 -0.871 9.787 -2.774 560 HG13 ILE 72 1HG1 ILE 72 -0.007 8.822 -1.580 561 HG21 ILE 72 1HG2 ILE 72 0.590 12.640 -1.245 562 HG22 ILE 72 2HG2 ILE 72 0.246 11.733 -2.719 563 HG23 ILE 72 3HG2 ILE 72 1.504 11.176 -1.615 564 HD11 ILE 72 1HD1 ILE 72 -1.962 7.906 -0.954 565 HD12 ILE 72 2HD1 ILE 72 -2.837 8.950 -2.073 566 HD13 ILE 72 3HD1 ILE 72 -2.518 9.490 -0.430 567 H LEU 73 H LEU 73 2.336 11.496 -0.006 568 HA LEU 73 HA LEU 73 1.976 13.624 2.068 569 HB2 LEU 73 2HB LEU 73 4.416 12.117 1.139 570 HB3 LEU 73 1HB LEU 73 4.558 13.672 1.954 571 HG LEU 73 HG LEU 73 2.816 11.565 3.183 572 HD11 LEU 73 1HD1 LEU 73 5.815 11.688 3.592 573 HD12 LEU 73 2HD1 LEU 73 5.018 10.487 2.576 574 HD13 LEU 73 3HD1 LEU 73 4.686 10.537 4.306 575 HD21 LEU 73 1HD2 LEU 73 4.607 13.788 4.216 576 HD22 LEU 73 2HD2 LEU 73 3.722 12.677 5.256 577 HD23 LEU 73 3HD2 LEU 73 2.843 13.774 4.192 578 H GLU 74 H GLU 74 3.331 12.853 -1.103 579 HA GLU 74 HA GLU 74 2.486 15.265 -2.366 580 HB2 GLU 74 2HB GLU 74 4.280 16.232 -0.860 581 HB3 GLU 74 1HB GLU 74 5.453 15.207 -1.689 582 HG2 GLU 74 2HG GLU 74 4.820 16.273 -3.846 583 HG3 GLU 74 1HG GLU 74 3.723 17.342 -2.972 584 H TRP 75 H TRP 75 3.238 15.256 -4.652 585 HA TRP 75 HA TRP 75 4.517 12.662 -5.414 586 HB2 TRP 75 2HB TRP 75 3.074 12.608 -7.389 587 HB3 TRP 75 1HB TRP 75 2.089 12.704 -5.927 588 HD1 TRP 75 HD TRP 75 1.058 15.135 -5.310 589 HE1 TRP 75 1HE TRP 75 0.377 17.094 -6.843 590 HE3 TRP 75 3HE TRP 75 3.577 13.845 -9.562 591 HZ2 TRP 75 2HZ TRP 75 0.839 17.992 -9.519 592 HZ3 TRP 75 3HZ TRP 75 3.437 15.268 -11.586 593 HH2 TRP 75 HH TRP 75 2.073 17.337 -11.570 594 H ASP 76 H ASP 76 6.287 12.841 -6.707 595 HA ASP 76 HA ASP 76 6.934 15.536 -7.776 596 HB2 ASP 76 2HB ASP 76 8.514 13.873 -6.351 597 HB3 ASP 76 1HB ASP 76 8.911 13.335 -7.984 598 HA PRO 77 HA PRO 77 5.425 14.046 -11.730 599 HB2 PRO 77 2HB PRO 77 7.231 15.907 -13.069 600 HB3 PRO 77 1HB PRO 77 5.467 15.871 -13.040 601 HG2 PRO 77 2HG PRO 77 7.131 17.645 -11.660 602 HG3 PRO 77 1HG PRO 77 5.386 17.444 -11.470 603 HD2 PRO 77 2HD PRO 77 7.475 16.727 -9.615 604 HD3 PRO 77 1HD PRO 77 5.719 16.592 -9.398 605 HA PRO 78 HA PRO 78 9.951 13.142 -13.615 606 HB2 PRO 78 2HB PRO 78 11.106 12.711 -10.877 607 HB3 PRO 78 1HB PRO 78 11.910 13.231 -12.369 608 HG2 PRO 78 2HG PRO 78 11.271 14.954 -10.427 609 HG3 PRO 78 1HG PRO 78 11.233 15.401 -12.140 610 HD2 PRO 78 2HD PRO 78 8.980 14.981 -10.273 611 HD3 PRO 78 1HD PRO 78 9.032 15.904 -11.785 612 H HIS 79 H HIS 79 10.002 11.469 -10.474 613 HA HIS 79 HA HIS 79 8.238 9.351 -11.162 614 HB2 HIS 79 2HB HIS 79 9.970 7.603 -11.561 615 HB3 HIS 79 1HB HIS 79 9.986 8.831 -12.825 616 HD1 HIS 79 1HD HIS 79 11.521 9.132 -9.357 617 HD2 HIS 79 2HD HIS 79 12.727 8.996 -13.348 618 HE1 HIS 79 1HE HIS 79 14.008 9.597 -9.364 619 HE2 HIS 79 2HE HIS 79 14.754 9.527 -11.791 620 H ARG 80 H ARG 80 9.040 11.175 -8.996 621 HA ARG 80 HA ARG 80 9.694 9.114 -6.933 622 HB2 ARG 80 2HB ARG 80 11.713 10.463 -7.359 623 HB3 ARG 80 1HB ARG 80 10.791 11.939 -7.061 624 HG2 ARG 80 2HG ARG 80 10.374 11.252 -4.757 625 HG3 ARG 80 1HG ARG 80 11.187 9.712 -5.043 626 HD2 ARG 80 2HD ARG 80 12.799 11.120 -3.986 627 HD3 ARG 80 1HD ARG 80 13.247 11.056 -5.688 628 HE ARG 80 HE ARG 80 11.646 13.283 -5.579 629 HH11 ARG 80 1HH1 ARG 80 12.399 15.353 -5.071 630 HH12 ARG 80 2HH1 ARG 80 13.822 15.528 -4.098 631 HH21 ARG 80 1HH2 ARG 80 14.320 12.114 -3.744 632 HH22 ARG 80 2HH2 ARG 80 14.909 13.695 -3.348 633 H LEU 81 H LEU 81 8.602 9.341 -4.982 634 HA LEU 81 HA LEU 81 7.037 11.730 -4.402 635 HB2 LEU 81 2HB LEU 81 4.848 10.529 -4.465 636 HB3 LEU 81 1HB LEU 81 5.574 10.736 -6.060 637 HG LEU 81 HG LEU 81 6.669 8.349 -5.191 638 HD11 LEU 81 1HD1 LEU 81 4.958 8.558 -3.305 639 HD12 LEU 81 2HD1 LEU 81 4.956 7.044 -4.212 640 HD13 LEU 81 3HD1 LEU 81 3.730 8.273 -4.537 641 HD21 LEU 81 1HD2 LEU 81 4.139 8.770 -6.808 642 HD22 LEU 81 2HD2 LEU 81 5.190 7.355 -6.874 643 HD23 LEU 81 3HD2 LEU 81 5.780 8.917 -7.439 644 H ALA 82 H ALA 82 6.406 11.788 -2.263 645 HA ALA 82 HA ALA 82 7.195 9.437 -0.590 646 HB1 ALA 82 1HB ALA 82 6.649 12.266 0.362 647 HB2 ALA 82 2HB ALA 82 8.251 11.736 -0.154 648 HB3 ALA 82 3HB ALA 82 7.477 10.977 1.236 649 H MET 83 H MET 83 5.566 8.686 0.986 650 HA MET 83 HA MET 83 2.926 9.994 0.718 651 HB2 MET 83 2HB MET 83 2.150 7.384 0.609 652 HB3 MET 83 1HB MET 83 2.316 8.428 -0.801 653 HG2 MET 83 2HG MET 83 4.652 7.664 -1.088 654 HG3 MET 83 1HG MET 83 4.472 6.607 0.314 655 HE1 MET 83 1HE MET 83 2.691 5.104 0.657 656 HE2 MET 83 2HE MET 83 2.095 3.958 -0.540 657 HE3 MET 83 3HE MET 83 1.239 5.476 -0.282 658 H THR 84 H THR 84 1.489 9.652 2.424 659 HA THR 84 HA THR 84 2.719 8.376 4.833 660 HB THR 84 HB THR 84 0.652 10.556 4.485 661 HG1 THR 84 1HG THR 84 2.141 11.437 6.132 662 HG21 THR 84 1HG2 THR 84 -0.371 9.149 6.116 663 HG22 THR 84 2HG2 THR 84 0.457 10.409 7.030 664 HG23 THR 84 3HG2 THR 84 1.176 8.805 6.891 665 H TRP 85 H TRP 85 1.147 7.071 6.184 666 HA TRP 85 HA TRP 85 -0.908 5.817 4.404 667 HB2 TRP 85 2HB TRP 85 1.099 4.702 6.253 668 HB3 TRP 85 1HB TRP 85 -0.509 3.987 6.398 669 HD1 TRP 85 HD TRP 85 1.482 5.190 3.300 670 HE1 TRP 85 1HE TRP 85 1.485 3.285 1.564 671 HE3 TRP 85 3HE TRP 85 -1.068 1.616 5.909 672 HZ2 TRP 85 2HZ TRP 85 0.530 0.599 1.314 673 HZ3 TRP 85 3HZ TRP 85 -1.507 -0.604 4.899 674 HH2 TRP 85 HH TRP 85 -0.711 -1.117 2.607 675 H ARG 86 H ARG 86 -3.008 6.050 5.027 676 HA ARG 86 HA ARG 86 -3.512 6.834 7.877 677 HB2 ARG 86 2HB ARG 86 -4.114 8.572 6.202 678 HB3 ARG 86 1HB ARG 86 -5.209 7.423 5.434 679 HG2 ARG 86 2HG ARG 86 -6.451 7.212 7.581 680 HG3 ARG 86 1HG ARG 86 -5.392 8.432 8.288 681 HD2 ARG 86 2HD ARG 86 -7.143 8.862 5.850 682 HD3 ARG 86 1HD ARG 86 -7.532 9.407 7.481 683 HE ARG 86 HE ARG 86 -4.944 10.345 6.447 684 HH11 ARG 86 1HH1 ARG 86 -4.781 12.591 6.255 685 HH12 ARG 86 2HH1 ARG 86 -6.209 13.563 6.379 686 HH21 ARG 86 1HH2 ARG 86 -8.327 10.862 6.876 687 HH22 ARG 86 2HH2 ARG 86 -8.216 12.585 6.731 688 H ILE 87 H ILE 87 -3.956 4.845 8.808 689 HA ILE 87 HA ILE 87 -6.365 3.449 7.750 690 HB ILE 87 HB ILE 87 -4.221 2.242 7.097 691 HG12 ILE 87 2HG1 ILE 87 -5.833 0.592 9.041 692 HG13 ILE 87 1HG1 ILE 87 -6.574 1.204 7.563 693 HG21 ILE 87 1HG2 ILE 87 -3.146 2.851 9.357 694 HG22 ILE 87 2HG2 ILE 87 -2.897 1.206 8.772 695 HG23 ILE 87 3HG2 ILE 87 -4.094 1.523 10.028 696 HD11 ILE 87 1HD1 ILE 87 -4.035 -0.449 7.659 697 HD12 ILE 87 2HD1 ILE 87 -4.857 0.114 6.206 698 HD13 ILE 87 3HD1 ILE 87 -5.632 -1.076 7.250 699 H ASP 88 H ASP 88 -7.666 2.505 9.412 700 HA ASP 88 HA ASP 88 -7.144 3.646 12.085 701 HB2 ASP 88 2HB ASP 88 -9.512 2.064 11.086 702 HB3 ASP 88 1HB ASP 88 -9.413 2.921 12.619 703 H GLY 89 H GLY 89 -7.313 2.292 14.008 704 HA2 GLY 89 2HA GLY 89 -5.677 -0.055 13.872 705 HA3 GLY 89 1HA GLY 89 -6.599 0.458 15.285 706 H HIS 90 H HIS 90 -9.196 0.373 14.150 707 HA HIS 90 HA HIS 90 -9.514 -2.579 13.798 708 HB2 HIS 90 2HB HIS 90 -10.858 -0.600 15.453 709 HB3 HIS 90 1HB HIS 90 -12.013 -1.470 14.447 710 HD1 HIS 90 1HD HIS 90 -10.331 -1.766 17.594 711 HD2 HIS 90 2HD HIS 90 -11.421 -4.461 14.604 712 HE1 HIS 90 1HE HIS 90 -10.300 -4.067 18.659 713 HE2 HIS 90 2HE HIS 90 -10.961 -5.715 16.846 714 H TRP 91 H TRP 91 -8.955 -0.687 11.614 715 HA TRP 91 HA TRP 91 -9.762 -0.187 9.464 716 HB2 TRP 91 2HB TRP 91 -11.704 -2.429 10.133 717 HB3 TRP 91 1HB TRP 91 -11.437 -1.756 8.530 718 HD1 TRP 91 HD TRP 91 -8.885 -2.044 7.533 719 HE1 TRP 91 1HE TRP 91 -7.262 -4.025 7.813 720 HE3 TRP 91 3HE TRP 91 -10.892 -4.263 11.658 721 HZ2 TRP 91 2HZ TRP 91 -6.879 -6.273 9.565 722 HZ3 TRP 91 3HZ TRP 91 -9.896 -6.315 12.612 723 HH2 TRP 91 HH TRP 91 -7.887 -7.322 11.570 724 H GLN 92 H GLN 92 -10.937 1.047 11.950 725 HA GLN 92 HA GLN 92 -12.790 2.806 10.831 726 HB2 GLN 92 2HB GLN 92 -14.902 1.867 12.043 727 HB3 GLN 92 1HB GLN 92 -14.470 1.224 10.460 728 HG2 GLN 92 2HG GLN 92 -13.693 -0.769 11.327 729 HG3 GLN 92 1HG GLN 92 -13.323 -0.073 12.908 730 HE21 GLN 92 1HE2 GLN 92 -14.809 -2.446 12.848 731 HE22 GLN 92 2HE2 GLN 92 -16.424 -2.130 13.268 732 H SER 93 H SER 93 -10.794 1.995 13.117 733 HA SER 93 HA SER 93 -11.972 2.538 15.624 734 HB2 SER 93 2HB SER 93 -9.586 1.770 15.127 735 HB3 SER 93 1HB SER 93 -9.208 3.465 14.826 736 HG SER 93 HG SER 93 -8.852 3.309 16.939 737 H VAL 94 H VAL 94 -10.459 4.875 13.351 738 HA VAL 94 HA VAL 94 -12.225 6.958 14.500 739 HB VAL 94 HB VAL 94 -9.968 8.421 14.374 740 HG11 VAL 94 1HG1 VAL 94 -9.816 8.147 16.809 741 HG12 VAL 94 2HG1 VAL 94 -10.742 6.650 16.713 742 HG13 VAL 94 3HG1 VAL 94 -11.506 8.188 16.310 743 HG21 VAL 94 1HG2 VAL 94 -8.063 7.158 15.162 744 HG22 VAL 94 2HG2 VAL 94 -8.674 6.348 13.720 745 HG23 VAL 94 3HG2 VAL 94 -9.035 5.695 15.318 746 HA PRO 95 HA PRO 95 -12.467 8.334 10.311 747 HB2 PRO 95 2HB PRO 95 -12.618 11.071 10.665 748 HB3 PRO 95 1HB PRO 95 -13.977 9.956 10.897 749 HG2 PRO 95 2HG PRO 95 -12.202 11.222 12.913 750 HG3 PRO 95 1HG PRO 95 -13.934 10.865 12.994 751 HD2 PRO 95 2HD PRO 95 -12.056 9.337 14.254 752 HD3 PRO 95 1HD PRO 95 -13.590 8.672 13.652 753 H ASP 96 H ASP 96 -9.978 9.658 12.379 754 HA ASP 96 HA ASP 96 -8.226 9.966 9.996 755 HB2 ASP 96 2HB ASP 96 -9.193 12.214 10.765 756 HB3 ASP 96 1HB ASP 96 -8.231 11.990 12.227 757 H ASP 97 H ASP 97 -5.946 9.764 10.551 758 HA ASP 97 HA ASP 97 -5.569 8.205 13.051 759 HB2 ASP 97 2HB ASP 97 -3.955 8.391 10.500 760 HB3 ASP 97 1HB ASP 97 -3.448 7.478 11.921 761 H ASP 98 H ASP 98 -4.646 9.255 14.718 762 HA ASP 98 HA ASP 98 -3.092 11.716 14.248 763 HB2 ASP 98 2HB ASP 98 -3.995 10.296 16.761 764 HB3 ASP 98 1HB ASP 98 -3.075 11.799 16.756 765 H ARG 99 H ARG 99 -2.593 8.416 14.477 766 HA ARG 99 HA ARG 99 0.224 8.754 15.375 767 HB2 ARG 99 2HB ARG 99 -0.003 6.208 15.760 768 HB3 ARG 99 1HB ARG 99 -0.828 7.276 16.898 769 HG2 ARG 99 2HG ARG 99 -2.925 7.015 15.628 770 HG3 ARG 99 1HG ARG 99 -2.102 5.957 14.479 771 HD2 ARG 99 2HD ARG 99 -1.563 4.405 16.359 772 HD3 ARG 99 1HD ARG 99 -2.505 5.433 17.439 773 HE ARG 99 HE ARG 99 -3.999 4.553 15.088 774 HH11 ARG 99 1HH1 ARG 99 -5.716 3.145 15.512 775 HH12 ARG 99 2HH1 ARG 99 -5.823 2.371 17.058 776 HH21 ARG 99 1HH2 ARG 99 -2.943 3.855 18.295 777 HH22 ARG 99 2HH2 ARG 99 -4.253 2.773 18.634 778 H ALA 100 H ALA 100 -0.666 9.238 12.645 779 HA ALA 100 HA ALA 100 0.057 6.822 11.133 780 HB1 ALA 100 1HB ALA 100 -0.216 9.525 9.865 781 HB2 ALA 100 2HB ALA 100 -1.658 8.737 10.506 782 HB3 ALA 100 3HB ALA 100 -0.707 7.947 9.249 783 H SER 101 H SER 101 1.983 6.517 10.042 784 HA SER 101 HA SER 101 4.195 8.380 10.749 785 HB2 SER 101 2HB SER 101 5.683 6.554 10.400 786 HB3 SER 101 1HB SER 101 4.306 5.869 11.259 787 HG SER 101 HG SER 101 4.298 5.947 8.453 788 H GLU 102 H GLU 102 5.942 8.496 8.937 789 HA GLU 102 HA GLU 102 4.513 9.028 6.370 790 HB2 GLU 102 2HB GLU 102 7.132 10.148 7.408 791 HB3 GLU 102 1HB GLU 102 6.369 10.582 5.878 792 HG2 GLU 102 2HG GLU 102 4.368 11.372 7.129 793 HG3 GLU 102 1HG GLU 102 5.199 11.012 8.643 794 H ILE 103 H ILE 103 5.282 8.144 4.468 795 HA ILE 103 HA ILE 103 7.524 6.179 4.734 796 HB ILE 103 HB ILE 103 5.169 6.046 2.828 797 HG12 ILE 103 2HG1 ILE 103 5.663 4.487 5.382 798 HG13 ILE 103 1HG1 ILE 103 4.503 5.805 5.221 799 HG21 ILE 103 1HG2 ILE 103 6.745 3.651 3.566 800 HG22 ILE 103 2HG2 ILE 103 7.600 4.846 2.590 801 HG23 ILE 103 3HG2 ILE 103 6.100 4.135 1.999 802 HD11 ILE 103 1HD1 ILE 103 3.142 3.954 4.823 803 HD12 ILE 103 2HD1 ILE 103 4.427 3.058 4.012 804 HD13 ILE 103 3HD1 ILE 103 3.620 4.390 3.182 805 H GLU 104 H GLU 104 9.103 6.223 3.130 806 HA GLU 104 HA GLU 104 8.871 8.471 1.159 807 HB2 GLU 104 2HB GLU 104 11.349 7.127 2.287 808 HB3 GLU 104 1HB GLU 104 11.345 8.451 1.120 809 HG2 GLU 104 2HG GLU 104 10.125 9.864 2.766 810 HG3 GLU 104 1HG GLU 104 10.228 8.550 3.937 811 H VAL 105 H VAL 105 8.653 7.845 -0.937 812 HA VAL 105 HA VAL 105 9.757 5.193 -1.729 813 HB VAL 105 HB VAL 105 7.120 6.259 -2.738 814 HG11 VAL 105 1HG1 VAL 105 6.801 4.001 -3.516 815 HG12 VAL 105 2HG1 VAL 105 8.227 3.441 -2.641 816 HG13 VAL 105 3HG1 VAL 105 8.409 4.509 -4.032 817 HG21 VAL 105 1HG2 VAL 105 6.374 4.254 -1.108 818 HG22 VAL 105 2HG2 VAL 105 6.472 5.924 -0.556 819 HG23 VAL 105 3HG2 VAL 105 7.794 4.809 -0.224 820 H ASP 106 H ASP 106 10.747 5.170 -3.739 821 HA ASP 106 HA ASP 106 10.445 7.609 -5.430 822 HB2 ASP 106 2HB ASP 106 12.563 7.723 -4.097 823 HB3 ASP 106 1HB ASP 106 13.081 6.227 -4.876 824 H PHE 107 H PHE 107 10.174 7.145 -7.584 825 HA PHE 107 HA PHE 107 10.548 4.291 -8.383 826 HB2 PHE 107 2HB PHE 107 8.609 6.387 -9.402 827 HB3 PHE 107 1HB PHE 107 8.776 4.763 -10.059 828 HD1 PHE 107 1HD PHE 107 8.205 6.536 -6.813 829 HD2 PHE 107 2HD PHE 107 7.497 3.019 -9.170 830 HE1 PHE 107 1HE PHE 107 6.674 5.675 -5.064 831 HE2 PHE 107 2HE PHE 107 5.969 2.152 -7.418 832 HZ PHE 107 HZ PHE 107 5.557 3.480 -5.366 833 H VAL 108 H VAL 108 11.717 3.873 -10.240 834 HA VAL 108 HA VAL 108 12.759 6.227 -11.751 835 HB VAL 108 HB VAL 108 14.479 3.818 -11.535 836 HG11 VAL 108 1HG1 VAL 108 15.179 5.785 -12.814 837 HG12 VAL 108 2HG1 VAL 108 16.222 5.589 -11.405 838 HG13 VAL 108 3HG1 VAL 108 14.950 6.811 -11.397 839 HG21 VAL 108 1HG2 VAL 108 15.392 4.721 -9.342 840 HG22 VAL 108 2HG2 VAL 108 13.807 3.957 -9.227 841 HG23 VAL 108 3HG2 VAL 108 13.939 5.716 -9.235 842 HA PRO 109 HA PRO 109 10.972 3.626 -14.984 843 HB2 PRO 109 2HB PRO 109 11.539 5.206 -17.126 844 HB3 PRO 109 1HB PRO 109 10.237 5.581 -15.981 845 HG2 PRO 109 2HG PRO 109 12.972 6.726 -16.172 846 HG3 PRO 109 1HG PRO 109 11.435 7.527 -15.817 847 HD2 PRO 109 2HD PRO 109 13.266 6.840 -13.883 848 HD3 PRO 109 1HD PRO 109 11.520 6.988 -13.572 849 H ASN 110 H ASN 110 12.025 1.854 -15.609 850 HA ASN 110 HA ASN 110 14.703 2.116 -16.873 851 HB2 ASN 110 2HB ASN 110 14.592 0.951 -14.594 852 HB3 ASN 110 1HB ASN 110 13.713 -0.333 -15.427 853 HD21 ASN 110 1HD2 ASN 110 15.699 -1.677 -14.807 854 HD22 ASN 110 2HD2 ASN 110 17.051 -1.614 -15.831 855 H GLY 111 H GLY 111 14.538 1.697 -19.027 856 HA2 GLY 111 2HA GLY 111 13.942 0.571 -21.002 857 HA3 GLY 111 1HA GLY 111 13.357 -0.749 -19.987 858 H SER 112 H SER 112 11.778 -0.421 -22.033 859 HA SER 112 HA SER 112 9.787 1.650 -21.814 860 HB2 SER 112 2HB SER 112 8.546 0.369 -23.452 861 HB3 SER 112 1HB SER 112 10.252 0.301 -23.885 862 HG SER 112 HG SER 112 8.757 -1.727 -23.637 863 H GLY 113 H GLY 113 10.223 -1.449 -20.250 864 HA2 GLY 113 2HA GLY 113 7.766 -0.898 -18.669 865 HA3 GLY 113 1HA GLY 113 7.918 -2.476 -19.447 866 H GLY 114 H GLY 114 10.393 -0.498 -17.777 867 HA2 GLY 114 2HA GLY 114 10.602 -2.649 -15.734 868 HA3 GLY 114 1HA GLY 114 12.054 -2.090 -16.561 869 H THR 115 H THR 115 10.551 -1.766 -13.706 870 HA THR 115 HA THR 115 11.602 1.006 -13.389 871 HB THR 115 HB THR 115 8.865 0.034 -12.543 872 HG1 THR 115 1HG THR 115 8.344 1.143 -14.223 873 HG21 THR 115 1HG2 THR 115 8.691 2.330 -11.481 874 HG22 THR 115 2HG2 THR 115 10.442 2.458 -11.651 875 HG23 THR 115 3HG2 THR 115 9.744 1.197 -10.638 876 H ARG 116 H ARG 116 12.637 1.369 -11.473 877 HA ARG 116 HA ARG 116 12.759 -0.925 -9.560 878 HB2 ARG 116 2HB ARG 116 14.925 -0.196 -10.603 879 HB3 ARG 116 1HB ARG 116 14.693 1.398 -9.877 880 HG2 ARG 116 2HG ARG 116 14.625 0.343 -7.631 881 HG3 ARG 116 1HG ARG 116 14.924 -1.228 -8.375 882 HD2 ARG 116 2HD ARG 116 17.050 -0.324 -9.327 883 HD3 ARG 116 1HD ARG 116 16.765 1.181 -8.452 884 HE ARG 116 HE ARG 116 16.629 -0.896 -6.548 885 HH11 ARG 116 1HH1 ARG 116 18.442 -1.400 -5.295 886 HH12 ARG 116 2HH1 ARG 116 20.018 -0.960 -5.860 887 HH21 ARG 116 1HH2 ARG 116 18.853 0.492 -8.787 888 HH22 ARG 116 2HH2 ARG 116 20.252 0.111 -7.837 889 H VAL 117 H VAL 117 11.787 -0.579 -7.589 890 HA VAL 117 HA VAL 117 11.259 2.268 -6.819 891 HB VAL 117 HB VAL 117 9.467 -0.099 -6.276 892 HG11 VAL 117 1HG1 VAL 117 7.875 1.598 -5.540 893 HG12 VAL 117 2HG1 VAL 117 9.013 2.878 -5.960 894 HG13 VAL 117 3HG1 VAL 117 9.379 1.771 -4.635 895 HG21 VAL 117 1HG2 VAL 117 9.421 2.024 -8.420 896 HG22 VAL 117 2HG2 VAL 117 7.963 1.160 -7.932 897 HG23 VAL 117 3HG2 VAL 117 9.325 0.273 -8.613 898 H GLU 118 H GLU 118 11.645 2.828 -4.735 899 HA GLU 118 HA GLU 118 12.577 0.661 -2.891 900 HB2 GLU 118 2HB GLU 118 13.498 3.557 -3.012 901 HB3 GLU 118 1HB GLU 118 14.077 2.342 -1.874 902 HG2 GLU 118 2HG GLU 118 14.915 0.984 -3.772 903 HG3 GLU 118 1HG GLU 118 14.377 2.238 -4.890 904 H LEU 119 H LEU 119 10.828 0.377 -1.547 905 HA LEU 119 HA LEU 119 9.459 2.831 -0.535 906 HB2 LEU 119 2HB LEU 119 8.083 1.181 -1.847 907 HB3 LEU 119 1HB LEU 119 8.392 -0.001 -0.590 908 HG LEU 119 HG LEU 119 7.354 2.640 0.307 909 HD11 LEU 119 1HD1 LEU 119 5.571 0.563 -0.997 910 HD12 LEU 119 2HD1 LEU 119 6.011 2.099 -1.742 911 HD13 LEU 119 3HD1 LEU 119 5.054 2.080 -0.262 912 HD21 LEU 119 1HD2 LEU 119 6.194 0.007 1.092 913 HD22 LEU 119 2HD2 LEU 119 6.564 1.411 2.091 914 HD23 LEU 119 3HD2 LEU 119 7.855 0.323 1.588 915 H ALA 120 H ALA 120 9.697 3.286 1.596 916 HA ALA 120 HA ALA 120 10.516 1.070 3.432 917 HB1 ALA 120 1HB ALA 120 12.378 2.173 4.113 918 HB2 ALA 120 2HB ALA 120 11.563 3.735 4.105 919 HB3 ALA 120 3HB ALA 120 12.213 3.074 2.606 920 H HIS 121 H HIS 121 9.256 0.985 5.247 921 HA HIS 121 HA HIS 121 7.571 3.375 5.882 922 HB2 HIS 121 2HB HIS 121 5.856 1.953 6.640 923 HB3 HIS 121 1HB HIS 121 6.465 1.107 5.220 924 HD1 HIS 121 1HD HIS 121 6.675 1.032 9.008 925 HD2 HIS 121 2HD HIS 121 7.589 -1.402 5.747 926 HE1 HIS 121 1HE HIS 121 7.229 -1.257 9.953 927 HE2 HIS 121 2HE HIS 121 7.815 -2.735 7.977 928 H VAL 122 H VAL 122 7.831 4.264 7.916 929 HA VAL 122 HA VAL 122 9.512 2.719 9.844 930 HB VAL 122 HB VAL 122 10.723 4.820 10.353 931 HG11 VAL 122 1HG1 VAL 122 12.226 4.405 8.694 932 HG12 VAL 122 2HG1 VAL 122 11.034 4.660 7.420 933 HG13 VAL 122 3HG1 VAL 122 11.114 3.109 8.255 934 HG21 VAL 122 1HG2 VAL 122 9.187 5.901 7.963 935 HG22 VAL 122 2HG2 VAL 122 10.425 6.761 8.880 936 HG23 VAL 122 3HG2 VAL 122 8.886 6.355 9.641 937 H LYS 123 H LYS 123 9.354 3.363 12.030 938 HA LYS 123 HA LYS 123 8.202 3.906 13.971 939 HB2 LYS 123 2HB LYS 123 7.583 6.227 12.162 940 HB3 LYS 123 1HB LYS 123 6.925 6.149 13.796 941 HG2 LYS 123 2HG LYS 123 8.979 7.360 13.963 942 HG3 LYS 123 1HG LYS 123 9.305 5.753 14.605 943 HD2 LYS 123 2HD LYS 123 10.394 5.064 12.592 944 HD3 LYS 123 1HD LYS 123 9.829 6.489 11.720 945 HE2 LYS 123 2HE LYS 123 11.836 6.415 13.989 946 HE3 LYS 123 1HE LYS 123 12.147 6.850 12.308 947 HZ1 LYS 123 1HZ LYS 123 10.498 8.331 14.278 948 HZ2 LYS 123 2HZ LYS 123 10.515 8.688 12.617 949 HZ3 LYS 123 3HZ LYS 123 11.934 8.848 13.538 950 H LEU 124 H LEU 124 6.758 2.132 12.045 951 HA LEU 124 HA LEU 124 3.975 2.939 12.184 952 HB2 LEU 124 2HB LEU 124 5.356 0.318 11.589 953 HB3 LEU 124 1HB LEU 124 3.603 0.431 11.710 954 HG LEU 124 HG LEU 124 5.353 2.007 9.793 955 HD11 LEU 124 1HD1 LEU 124 4.814 -0.556 9.474 956 HD12 LEU 124 2HD1 LEU 124 4.639 0.550 8.110 957 HD13 LEU 124 3HD1 LEU 124 3.219 0.039 9.020 958 HD21 LEU 124 1HD2 LEU 124 3.563 3.442 9.996 959 HD22 LEU 124 2HD2 LEU 124 2.491 2.182 10.604 960 HD23 LEU 124 3HD2 LEU 124 2.825 2.297 8.876 961 H HIS 125 H HIS 125 6.138 0.912 14.101 962 HA HIS 125 HA HIS 125 4.422 -0.327 15.884 963 HB2 HIS 125 2HB HIS 125 6.895 -0.505 15.973 964 HB3 HIS 125 1HB HIS 125 6.963 1.122 16.647 965 HD1 HIS 125 1HD HIS 125 5.112 -2.127 17.458 966 HD2 HIS 125 2HD HIS 125 6.974 1.061 19.402 967 HE1 HIS 125 1HE HIS 125 4.966 -2.615 19.942 968 HE2 HIS 125 2HE HIS 125 6.096 -0.681 21.133 969 H ARG 126 H ARG 126 4.699 3.005 15.348 970 HA ARG 126 HA ARG 126 4.172 4.196 17.810 971 HB2 ARG 126 2HB ARG 126 4.377 5.400 15.622 972 HB3 ARG 126 1HB ARG 126 2.744 4.864 15.232 973 HG2 ARG 126 2HG ARG 126 1.881 6.009 17.240 974 HG3 ARG 126 1HG ARG 126 3.515 6.554 17.626 975 HD2 ARG 126 2HD ARG 126 3.603 7.735 15.433 976 HD3 ARG 126 1HD ARG 126 1.933 7.255 15.136 977 HE ARG 126 HE ARG 126 1.708 8.526 17.534 978 HH11 ARG 126 1HH1 ARG 126 1.500 10.760 17.809 979 HH12 ARG 126 2HH1 ARG 126 2.150 11.830 16.613 980 HH21 ARG 126 1HH2 ARG 126 3.350 9.276 14.598 981 HH22 ARG 126 2HH2 ARG 126 3.198 10.990 14.795 982 H HIS 127 H HIS 127 1.988 2.248 15.805 983 HA HIS 127 HA HIS 127 -0.322 2.862 17.479 984 HB2 HIS 127 2HB HIS 127 -1.197 0.690 16.241 985 HB3 HIS 127 1HB HIS 127 -1.087 2.227 15.394 986 HD1 HIS 127 1HD HIS 127 1.935 0.087 16.168 987 HD2 HIS 127 2HD HIS 127 -0.455 1.089 12.899 988 HE1 HIS 127 1HE HIS 127 3.102 -0.823 14.109 989 HE2 HIS 127 2HE HIS 127 1.661 -0.215 12.119 990 H GLY 128 H GLY 128 2.316 0.647 17.654 991 HA2 GLY 128 2HA GLY 128 2.858 -0.613 19.611 992 HA3 GLY 128 1HA GLY 128 1.197 -0.412 20.167 993 H ASP 129 H ASP 129 1.526 -2.794 20.618 994 HA ASP 129 HA ASP 129 1.739 -4.691 18.472 995 HB2 ASP 129 2HB ASP 129 0.586 -4.953 21.262 996 HB3 ASP 129 1HB ASP 129 0.853 -6.312 20.169 997 H GLY 130 H GLY 130 0.073 -5.982 17.525 998 HA2 GLY 130 2HA GLY 130 -2.237 -6.554 17.092 999 HA3 GLY 130 1HA GLY 130 -2.728 -5.069 17.920 1000 H ALA 131 H ALA 131 -0.273 -3.978 16.218 1001 HA ALA 131 HA ALA 131 -1.838 -2.625 14.260 1002 HB1 ALA 131 1HB ALA 131 0.390 -2.016 13.298 1003 HB2 ALA 131 2HB ALA 131 1.140 -3.106 14.463 1004 HB3 ALA 131 3HB ALA 131 0.249 -1.694 15.024 1005 H TRP 132 H TRP 132 0.433 -5.389 13.950 1006 HA TRP 132 HA TRP 132 0.149 -5.707 11.162 1007 HB2 TRP 132 2HB TRP 132 1.764 -6.974 12.658 1008 HB3 TRP 132 1HB TRP 132 0.413 -8.027 13.091 1009 HD1 TRP 132 HD TRP 132 -0.665 -9.501 11.128 1010 HE1 TRP 132 1HE TRP 132 0.321 -10.341 8.899 1011 HE3 TRP 132 3HE TRP 132 3.424 -6.434 10.738 1012 HZ2 TRP 132 2HZ TRP 132 2.534 -9.792 7.185 1013 HZ3 TRP 132 3HZ TRP 132 4.943 -6.626 8.796 1014 HH2 TRP 132 HH TRP 132 4.508 -8.299 7.021 1015 H ASN 133 H ASN 133 -2.027 -6.493 13.784 1016 HA ASN 133 HA ASN 133 -3.746 -8.343 12.496 1017 HB2 ASN 133 2HB ASN 133 -3.872 -7.411 14.905 1018 HB3 ASN 133 1HB ASN 133 -4.750 -6.055 14.200 1019 HD21 ASN 133 1HD2 ASN 133 -6.315 -7.394 15.911 1020 HD22 ASN 133 2HD2 ASN 133 -7.384 -8.453 15.127 1021 H ILE 134 H ILE 134 -3.634 -4.801 12.387 1022 HA ILE 134 HA ILE 134 -5.855 -4.401 10.640 1023 HB ILE 134 HB ILE 134 -3.319 -2.864 11.158 1024 HG12 ILE 134 2HG1 ILE 134 -5.022 -1.226 12.044 1025 HG13 ILE 134 1HG1 ILE 134 -6.256 -2.453 11.766 1026 HG21 ILE 134 1HG2 ILE 134 -5.519 -2.271 9.188 1027 HG22 ILE 134 2HG2 ILE 134 -3.784 -2.366 8.879 1028 HG23 ILE 134 3HG2 ILE 134 -4.441 -1.029 9.824 1029 HD11 ILE 134 1HD1 ILE 134 -5.488 -3.812 13.473 1030 HD12 ILE 134 2HD1 ILE 134 -5.037 -2.237 14.126 1031 HD13 ILE 134 3HD1 ILE 134 -3.827 -3.238 13.328 1032 H HIS 135 H HIS 135 -2.410 -4.952 10.093 1033 HA HIS 135 HA HIS 135 -2.468 -4.929 7.231 1034 HB2 HIS 135 2HB HIS 135 -0.367 -4.741 8.488 1035 HB3 HIS 135 1HB HIS 135 -0.604 -6.358 9.148 1036 HD1 HIS 135 1HD HIS 135 -1.796 -6.599 5.845 1037 HD2 HIS 135 2HD HIS 135 2.017 -6.478 7.516 1038 HE1 HIS 135 1HE HIS 135 -0.246 -7.569 4.107 1039 HE2 HIS 135 2HE HIS 135 2.098 -7.477 5.098 1040 H LYS 136 H LYS 136 -3.127 -7.417 9.646 1041 HA LYS 136 HA LYS 136 -3.042 -9.713 8.016 1042 HB2 LYS 136 2HB LYS 136 -3.532 -9.671 10.497 1043 HB3 LYS 136 1HB LYS 136 -5.163 -9.158 10.096 1044 HG2 LYS 136 2HG LYS 136 -5.449 -11.188 8.720 1045 HG3 LYS 136 1HG LYS 136 -3.840 -11.715 9.197 1046 HD2 LYS 136 2HD LYS 136 -4.576 -11.623 11.590 1047 HD3 LYS 136 1HD LYS 136 -6.209 -11.263 11.029 1048 HE2 LYS 136 2HE LYS 136 -4.700 -13.695 10.065 1049 HE3 LYS 136 1HE LYS 136 -5.681 -13.729 11.530 1050 HZ1 LYS 136 1HZ LYS 136 -7.608 -13.425 10.364 1051 HZ2 LYS 136 2HZ LYS 136 -6.716 -14.333 9.237 1052 HZ3 LYS 136 3HZ LYS 136 -6.845 -12.648 9.063 1053 H ALA 137 H ALA 137 -5.506 -7.185 8.281 1054 HA ALA 137 HA ALA 137 -7.453 -8.501 6.607 1055 HB1 ALA 137 1HB ALA 137 -6.914 -5.654 7.389 1056 HB2 ALA 137 2HB ALA 137 -8.349 -6.631 7.693 1057 HB3 ALA 137 3HB ALA 137 -8.047 -5.981 6.083 1058 H LEU 138 H LEU 138 -4.754 -6.278 5.971 1059 HA LEU 138 HA LEU 138 -5.140 -6.243 3.108 1060 HB2 LEU 138 2HB LEU 138 -2.740 -5.618 4.844 1061 HB3 LEU 138 1HB LEU 138 -2.734 -5.435 3.093 1062 HG LEU 138 HG LEU 138 -4.696 -4.076 4.964 1063 HD11 LEU 138 1HD1 LEU 138 -2.152 -3.138 3.621 1064 HD12 LEU 138 2HD1 LEU 138 -2.569 -3.060 5.333 1065 HD13 LEU 138 3HD1 LEU 138 -3.392 -2.013 4.178 1066 HD21 LEU 138 1HD2 LEU 138 -4.784 -2.680 2.659 1067 HD22 LEU 138 2HD2 LEU 138 -5.835 -4.064 2.959 1068 HD23 LEU 138 3HD2 LEU 138 -4.366 -4.263 2.004 1069 H ASP 139 H ASP 139 -3.645 -8.461 5.343 1070 HA ASP 139 HA ASP 139 -2.942 -10.674 4.940 1071 HB2 ASP 139 2HB ASP 139 -4.455 -10.140 2.701 1072 HB3 ASP 139 1HB ASP 139 -2.876 -10.513 2.016 1073 H GLY 140 H GLY 140 -0.815 -10.722 5.480 1074 HA2 GLY 140 2HA GLY 140 1.131 -9.695 3.464 1075 HA3 GLY 140 1HA GLY 140 1.375 -9.454 5.186 1076 HA PRO 141 HA PRO 141 1.843 -14.288 4.258 1077 HB2 PRO 141 2HB PRO 141 2.708 -13.932 1.422 1078 HB3 PRO 141 1HB PRO 141 1.754 -15.239 2.152 1079 HG2 PRO 141 2HG PRO 141 0.618 -13.384 0.630 1080 HG3 PRO 141 1HG PRO 141 -0.204 -14.046 2.055 1081 HD2 PRO 141 2HD PRO 141 1.093 -11.380 1.704 1082 HD3 PRO 141 1HD PRO 141 -0.316 -11.830 2.683 1083 H SER 142 H SER 142 3.878 -15.037 4.857 1084 HA SER 142 HA SER 142 6.086 -13.198 4.901 1085 HB2 SER 142 2HB SER 142 5.442 -15.669 6.101 1086 HB3 SER 142 1HB SER 142 6.935 -15.944 5.208 1087 HG SER 142 HG SER 142 7.277 -13.640 6.313 1088 HA PRO 143 HA PRO 143 7.785 -16.283 1.449 1089 HB2 PRO 143 2HB PRO 143 5.193 -16.825 0.098 1090 HB3 PRO 143 1HB PRO 143 6.554 -17.921 0.416 1091 HG2 PRO 143 2HG PRO 143 4.275 -18.076 1.795 1092 HG3 PRO 143 1HG PRO 143 5.848 -18.396 2.545 1093 HD2 PRO 143 2HD PRO 143 4.095 -15.987 2.801 1094 HD3 PRO 143 1HD PRO 143 5.158 -16.742 4.010 1095 H GLY 144 H GLY 144 5.141 -14.000 1.088 1096 HA2 GLY 144 2HA GLY 144 6.470 -12.108 -0.433 1097 HA3 GLY 144 1HA GLY 144 5.821 -13.231 -1.631 1098 H GLU 145 H GLU 145 5.133 -10.366 -0.382 1099 HA GLU 145 HA GLU 145 2.200 -10.874 -0.210 1100 HB2 GLU 145 2HB GLU 145 3.129 -9.936 1.852 1101 HB3 GLU 145 1HB GLU 145 3.836 -8.614 0.937 1102 HG2 GLU 145 2HG GLU 145 1.519 -7.934 0.219 1103 HG3 GLU 145 1HG GLU 145 0.877 -9.182 1.274 1104 H THR 146 H THR 146 3.472 -7.666 -0.575 1105 HA THR 146 HA THR 146 1.843 -7.110 -2.844 1106 HB THR 146 HB THR 146 4.360 -5.641 -2.123 1107 HG1 THR 146 1HG THR 146 3.479 -5.045 -0.346 1108 HG21 THR 146 1HG2 THR 146 1.749 -4.879 -3.416 1109 HG22 THR 146 2HG2 THR 146 3.363 -4.812 -4.124 1110 HG23 THR 146 3HG2 THR 146 2.916 -3.689 -2.839 1111 H LEU 147 H LEU 147 5.366 -7.590 -2.633 1112 HA LEU 147 HA LEU 147 6.009 -7.332 -5.343 1113 HB2 LEU 147 2HB LEU 147 7.222 -9.144 -3.247 1114 HB3 LEU 147 1HB LEU 147 7.967 -8.780 -4.803 1115 HG LEU 147 HG LEU 147 7.079 -6.486 -3.101 1116 HD11 LEU 147 1HD1 LEU 147 9.691 -7.963 -2.691 1117 HD12 LEU 147 2HD1 LEU 147 8.323 -8.040 -1.580 1118 HD13 LEU 147 3HD1 LEU 147 9.159 -6.510 -1.847 1119 HD21 LEU 147 1HD2 LEU 147 8.006 -6.124 -5.364 1120 HD22 LEU 147 2HD2 LEU 147 9.465 -6.997 -4.901 1121 HD23 LEU 147 3HD2 LEU 147 9.081 -5.456 -4.130 1122 H ALA 148 H ALA 148 4.746 -10.183 -3.653 1123 HA ALA 148 HA ALA 148 5.137 -11.954 -5.899 1124 HB1 ALA 148 1HB ALA 148 4.172 -12.158 -3.226 1125 HB2 ALA 148 2HB ALA 148 4.589 -13.465 -4.334 1126 HB3 ALA 148 3HB ALA 148 2.942 -12.829 -4.298 1127 H ARG 149 H ARG 149 2.132 -10.531 -4.584 1128 HA ARG 149 HA ARG 149 0.614 -11.363 -6.894 1129 HB2 ARG 149 2HB ARG 149 -1.136 -9.780 -5.844 1130 HB3 ARG 149 1HB ARG 149 -0.651 -11.204 -4.929 1131 HG2 ARG 149 2HG ARG 149 0.133 -9.928 -3.250 1132 HG3 ARG 149 1HG ARG 149 1.129 -8.989 -4.360 1133 HD2 ARG 149 2HD ARG 149 -0.434 -7.476 -3.302 1134 HD3 ARG 149 1HD ARG 149 -0.928 -7.676 -4.984 1135 HE ARG 149 HE ARG 149 -2.307 -9.622 -3.439 1136 HH11 ARG 149 1HH1 ARG 149 -4.448 -9.222 -2.834 1137 HH12 ARG 149 2HH1 ARG 149 -5.040 -7.594 -2.817 1138 HH21 ARG 149 1HH2 ARG 149 -2.035 -6.210 -3.857 1139 HH22 ARG 149 2HH2 ARG 149 -3.674 -5.889 -3.396 1140 H PHE 150 H PHE 150 1.562 -8.089 -5.763 1141 HA PHE 150 HA PHE 150 0.468 -6.770 -8.048 1142 HB2 PHE 150 2HB PHE 150 0.847 -5.029 -6.702 1143 HB3 PHE 150 1HB PHE 150 1.836 -6.039 -5.644 1144 HD1 PHE 150 1HD PHE 150 4.246 -6.489 -6.371 1145 HD2 PHE 150 2HD PHE 150 1.856 -3.357 -8.021 1146 HE1 PHE 150 1HE PHE 150 6.293 -5.386 -7.147 1147 HE2 PHE 150 2HE PHE 150 3.911 -2.216 -8.820 1148 HZ PHE 150 HZ PHE 150 6.127 -3.236 -8.391 1149 H ALA 151 H ALA 151 3.798 -7.952 -7.451 1150 HA ALA 151 HA ALA 151 4.845 -6.658 -9.810 1151 HB1 ALA 151 1HB ALA 151 6.100 -9.142 -8.709 1152 HB2 ALA 151 2HB ALA 151 6.094 -7.675 -7.728 1153 HB3 ALA 151 3HB ALA 151 6.868 -7.675 -9.311 1154 H ASN 152 H ASN 152 3.672 -9.937 -9.176 1155 HA ASN 152 HA ASN 152 4.332 -10.972 -11.769 1156 HB2 ASN 152 2HB ASN 152 3.354 -12.918 -11.064 1157 HB3 ASN 152 1HB ASN 152 3.524 -12.133 -9.493 1158 HD21 ASN 152 1HD2 ASN 152 1.585 -11.092 -8.571 1159 HD22 ASN 152 2HD2 ASN 152 0.034 -11.521 -9.120 1160 H VAL 153 H VAL 153 1.344 -9.502 -10.511 1161 HA VAL 153 HA VAL 153 -0.189 -9.993 -12.890 1162 HB VAL 153 HB VAL 153 -1.711 -8.268 -11.972 1163 HG11 VAL 153 1HG1 VAL 153 -0.814 -10.697 -10.686 1164 HG12 VAL 153 2HG1 VAL 153 -2.448 -10.043 -10.789 1165 HG13 VAL 153 3HG1 VAL 153 -1.380 -9.546 -9.477 1166 HG21 VAL 153 1HG2 VAL 153 0.622 -7.877 -10.118 1167 HG22 VAL 153 2HG2 VAL 153 -1.007 -7.415 -9.647 1168 HG23 VAL 153 3HG2 VAL 153 -0.247 -6.658 -11.044 1169 H ILE 154 H ILE 154 1.782 -7.214 -11.845 1170 HA ILE 154 HA ILE 154 1.016 -5.517 -13.998 1171 HB ILE 154 HB ILE 154 3.460 -5.615 -12.249 1172 HG12 ILE 154 2HG1 ILE 154 1.259 -3.557 -12.543 1173 HG13 ILE 154 1HG1 ILE 154 1.254 -4.833 -11.328 1174 HG21 ILE 154 1HG2 ILE 154 4.459 -4.643 -14.072 1175 HG22 ILE 154 2HG2 ILE 154 3.703 -3.212 -13.374 1176 HG23 ILE 154 3HG2 ILE 154 2.934 -4.047 -14.722 1177 HD11 ILE 154 1HD1 ILE 154 2.185 -2.939 -10.232 1178 HD12 ILE 154 2HD1 ILE 154 3.206 -2.547 -11.615 1179 HD13 ILE 154 3HD1 ILE 154 3.559 -3.969 -10.633 1180 HBC 969 201 HBC PDM 155 7.140 -8.788 1.600 1181 HBD 969 201 HBD PDM 155 7.610 -7.100 1.914 1182 HBE 969 201 HBE PDM 155 8.245 -7.950 0.485 1183 HBA 969 201 HBA PDM 155 6.541 -6.775 -0.540 1184 HBB 969 201 HBB PDM 155 5.612 -8.205 -0.032 1185 HA0 969 201 0HA PDM 155 6.185 -6.885 3.102 1186 HAY 969 201 HAY PDM 155 5.010 -8.104 2.553 1187 HAZ 969 201 HAZ PDM 155 4.445 -6.532 3.169 1188 HBF 969 201 HBF PDM 155 3.394 -5.832 1.209 1189 HAQ 969 201 HAQ PDM 155 5.431 -4.198 -4.034 1190 HAL 969 201 HAL PDM 155 7.361 -3.763 -6.856 1191 HAM 969 201 HAM PDM 155 9.325 -2.250 -6.859 1192 HAN 969 201 HAN PDM 155 10.257 -1.431 -4.722 1193 HAE 969 201 HAE PDM 155 10.279 -1.436 0.093 1194 HAS 969 201 HAS PDM 155 9.018 -1.485 3.033 1195 HAT 969 201 HAT PDM 155 10.575 -1.885 2.265 1196 HAU 969 201 HAU PDM 155 9.652 -3.149 3.111 1197 HAV 969 201 HAV PDM 155 5.467 -4.764 3.339 Start of MODEL 9 1 H1 MET 1 1HT MET 1 4.880 -13.188 9.596 2 H2 MET 1 2HT MET 1 5.407 -12.832 11.171 3 H3 MET 1 3HT MET 1 5.867 -11.837 9.873 4 HA MET 1 HA MET 1 4.008 -10.643 9.961 5 HB2 MET 1 2HB MET 1 1.766 -11.805 10.266 6 HB3 MET 1 1HB MET 1 2.693 -12.328 8.859 7 HG2 MET 1 2HG MET 1 3.175 -14.392 9.768 8 HG3 MET 1 1HG MET 1 3.138 -13.789 11.424 9 HE1 MET 1 1HE MET 1 0.659 -12.694 12.368 10 HE2 MET 1 2HE MET 1 1.482 -14.136 12.958 11 HE3 MET 1 3HE MET 1 -0.260 -14.168 12.699 12 HA PRO 2 HA PRO 2 4.497 -11.402 14.629 13 HB2 PRO 2 2HB PRO 2 6.058 -9.144 15.039 14 HB3 PRO 2 1HB PRO 2 6.677 -10.796 14.861 15 HG2 PRO 2 2HG PRO 2 6.595 -8.582 12.899 16 HG3 PRO 2 1HG PRO 2 7.777 -9.886 13.089 17 HD2 PRO 2 2HD PRO 2 5.868 -9.852 11.115 18 HD3 PRO 2 1HD PRO 2 6.576 -11.346 11.769 19 H GLU 3 H GLU 3 3.445 -10.150 16.250 20 HA GLU 3 HA GLU 3 1.320 -8.463 15.366 21 HB2 GLU 3 2HB GLU 3 2.571 -8.750 18.117 22 HB3 GLU 3 1HB GLU 3 1.035 -7.954 17.784 23 HG2 GLU 3 2HG GLU 3 0.167 -10.067 16.814 24 HG3 GLU 3 1HG GLU 3 1.688 -10.859 17.227 25 H GLU 4 H GLU 4 4.627 -7.840 16.258 26 HA GLU 4 HA GLU 4 4.185 -4.919 16.394 27 HB2 GLU 4 2HB GLU 4 5.743 -6.078 17.979 28 HB3 GLU 4 1HB GLU 4 6.763 -6.479 16.598 29 HG2 GLU 4 2HG GLU 4 6.957 -4.052 16.070 30 HG3 GLU 4 1HG GLU 4 6.028 -3.692 17.529 31 H ILE 5 H ILE 5 4.908 -3.496 14.801 32 HA ILE 5 HA ILE 5 5.985 -4.760 12.313 33 HB ILE 5 HB ILE 5 4.658 -2.156 12.026 34 HG12 ILE 5 2HG1 ILE 5 3.246 -3.202 13.795 35 HG13 ILE 5 1HG1 ILE 5 2.397 -2.975 12.276 36 HG21 ILE 5 1HG2 ILE 5 3.582 -3.381 10.151 37 HG22 ILE 5 2HG2 ILE 5 4.410 -4.843 10.679 38 HG23 ILE 5 3HG2 ILE 5 5.344 -3.459 10.110 39 HD11 ILE 5 1HD1 ILE 5 2.186 -5.193 11.919 40 HD12 ILE 5 2HD1 ILE 5 2.499 -5.332 13.649 41 HD13 ILE 5 3HD1 ILE 5 3.815 -5.534 12.497 42 HA PRO 6 HA PRO 6 9.124 -1.686 13.645 43 HB2 PRO 6 2HB PRO 6 11.315 -3.173 12.963 44 HB3 PRO 6 1HB PRO 6 10.474 -3.336 14.516 45 HG2 PRO 6 2HG PRO 6 10.434 -5.101 12.154 46 HG3 PRO 6 1HG PRO 6 10.209 -5.491 13.865 47 HD2 PRO 6 2HD PRO 6 8.165 -5.239 11.940 48 HD3 PRO 6 1HD PRO 6 7.941 -5.302 13.702 49 H ASP 7 H ASP 7 10.867 -0.597 12.327 50 HA ASP 7 HA ASP 7 9.943 -0.056 9.668 51 HB2 ASP 7 2HB ASP 7 11.914 1.375 9.497 52 HB3 ASP 7 1HB ASP 7 11.171 1.582 11.082 53 H VAL 8 H VAL 8 10.389 -1.103 7.813 54 HA VAL 8 HA VAL 8 12.923 -2.639 7.581 55 HB VAL 8 HB VAL 8 11.183 -4.290 8.161 56 HG11 VAL 8 1HG1 VAL 8 9.183 -3.174 7.407 57 HG12 VAL 8 2HG1 VAL 8 9.334 -4.666 6.486 58 HG13 VAL 8 3HG1 VAL 8 9.766 -3.128 5.745 59 HG21 VAL 8 1HG2 VAL 8 11.388 -4.937 5.321 60 HG22 VAL 8 2HG2 VAL 8 12.116 -5.747 6.708 61 HG23 VAL 8 3HG2 VAL 8 12.918 -4.356 5.979 62 H ARG 9 H ARG 9 13.821 -2.516 5.502 63 HA ARG 9 HA ARG 9 12.224 -0.973 3.490 64 HB2 ARG 9 2HB ARG 9 14.006 0.409 4.518 65 HB3 ARG 9 1HB ARG 9 15.206 -0.783 4.010 66 HG2 ARG 9 2HG ARG 9 14.552 -0.422 1.649 67 HG3 ARG 9 1HG ARG 9 13.384 0.793 2.166 68 HD2 ARG 9 2HD ARG 9 15.252 2.090 3.201 69 HD3 ARG 9 1HD ARG 9 16.390 0.909 2.550 70 HE ARG 9 HE ARG 9 14.665 2.035 0.496 71 HH11 ARG 9 1HH1 ARG 9 15.678 3.395 -0.998 72 HH12 ARG 9 2HH1 ARG 9 17.250 4.030 -0.643 73 HH21 ARG 9 1HH2 ARG 9 17.484 2.451 2.435 74 HH22 ARG 9 2HH2 ARG 9 18.273 3.495 1.301 75 H LYS 10 H LYS 10 12.111 -1.877 1.495 76 HA LYS 10 HA LYS 10 14.172 -3.866 0.696 77 HB2 LYS 10 2HB LYS 10 11.920 -4.881 1.695 78 HB3 LYS 10 1HB LYS 10 11.324 -4.506 0.075 79 HG2 LYS 10 2HG LYS 10 13.196 -5.776 -0.914 80 HG3 LYS 10 1HG LYS 10 13.755 -6.194 0.707 81 HD2 LYS 10 2HD LYS 10 11.522 -7.253 1.140 82 HD3 LYS 10 1HD LYS 10 11.103 -6.957 -0.547 83 HE2 LYS 10 2HE LYS 10 13.657 -8.396 0.106 84 HE3 LYS 10 1HE LYS 10 12.130 -9.277 0.144 85 HZ1 LYS 10 1HZ LYS 10 11.703 -8.686 -2.108 86 HZ2 LYS 10 2HZ LYS 10 13.276 -9.323 -2.036 87 HZ3 LYS 10 3HZ LYS 10 13.041 -7.645 -2.160 88 H SER 11 H SER 11 13.898 -4.370 -1.702 89 HA SER 11 HA SER 11 12.425 -2.371 -3.267 90 HB2 SER 11 2HB SER 11 14.388 -1.436 -4.349 91 HB3 SER 11 1HB SER 11 14.498 -1.195 -2.605 92 HG SER 11 HG SER 11 16.282 -2.300 -4.106 93 H VAL 12 H VAL 12 12.252 -2.939 -5.472 94 HA VAL 12 HA VAL 12 13.725 -5.252 -6.504 95 HB VAL 12 HB VAL 12 11.108 -5.528 -5.285 96 HG11 VAL 12 1HG1 VAL 12 10.152 -6.982 -7.089 97 HG12 VAL 12 2HG1 VAL 12 11.409 -6.403 -8.175 98 HG13 VAL 12 3HG1 VAL 12 10.206 -5.280 -7.537 99 HG21 VAL 12 1HG2 VAL 12 11.704 -7.947 -5.555 100 HG22 VAL 12 2HG2 VAL 12 12.981 -6.997 -4.796 101 HG23 VAL 12 3HG2 VAL 12 13.111 -7.452 -6.495 102 H VAL 13 H VAL 13 13.327 -5.542 -8.818 103 HA VAL 13 HA VAL 13 12.219 -3.070 -10.053 104 HB VAL 13 HB VAL 13 14.130 -5.119 -11.210 105 HG11 VAL 13 1HG1 VAL 13 14.430 -3.473 -12.999 106 HG12 VAL 13 2HG1 VAL 13 13.293 -2.379 -12.212 107 HG13 VAL 13 3HG1 VAL 13 12.725 -3.909 -12.878 108 HG21 VAL 13 1HG2 VAL 13 15.856 -3.860 -10.415 109 HG22 VAL 13 2HG2 VAL 13 14.666 -3.290 -9.244 110 HG23 VAL 13 3HG2 VAL 13 14.999 -2.343 -10.693 111 H VAL 14 H VAL 14 10.539 -3.214 -11.461 112 HA VAL 14 HA VAL 14 9.592 -5.943 -12.231 113 HB VAL 14 HB VAL 14 8.109 -5.098 -10.490 114 HG11 VAL 14 1HG1 VAL 14 7.072 -2.790 -11.935 115 HG12 VAL 14 2HG1 VAL 14 8.786 -2.599 -11.561 116 HG13 VAL 14 3HG1 VAL 14 7.629 -2.900 -10.265 117 HG21 VAL 14 1HG2 VAL 14 6.756 -4.579 -13.153 118 HG22 VAL 14 2HG2 VAL 14 6.025 -5.208 -11.679 119 HG23 VAL 14 3HG2 VAL 14 7.160 -6.202 -12.594 120 H ALA 15 H ALA 15 8.422 -5.993 -14.284 121 HA ALA 15 HA ALA 15 9.527 -4.131 -16.223 122 HB1 ALA 15 1HB ALA 15 8.849 -6.629 -16.558 123 HB2 ALA 15 2HB ALA 15 8.519 -5.489 -17.861 124 HB3 ALA 15 3HB ALA 15 7.221 -5.987 -16.776 125 H ALA 16 H ALA 16 8.706 -2.026 -15.688 126 HA ALA 16 HA ALA 16 6.056 -1.432 -16.665 127 HB1 ALA 16 1HB ALA 16 5.614 -2.528 -14.389 128 HB2 ALA 16 2HB ALA 16 4.919 -0.925 -14.625 129 HB3 ALA 16 3HB ALA 16 6.391 -1.116 -13.674 130 H SER 17 H SER 17 5.589 0.918 -16.375 131 HA SER 17 HA SER 17 8.126 2.448 -16.139 132 HB2 SER 17 2HB SER 17 5.456 3.261 -17.333 133 HB3 SER 17 1HB SER 17 6.926 4.230 -17.352 134 HG SER 17 HG SER 17 7.371 1.722 -18.271 135 H VAL 18 H VAL 18 8.154 4.322 -14.738 136 HA VAL 18 HA VAL 18 6.868 4.050 -12.267 137 HB VAL 18 HB VAL 18 7.431 6.451 -11.919 138 HG11 VAL 18 1HG1 VAL 18 9.695 6.015 -11.805 139 HG12 VAL 18 2HG1 VAL 18 9.747 5.335 -13.430 140 HG13 VAL 18 3HG1 VAL 18 9.114 4.374 -12.095 141 HG21 VAL 18 1HG2 VAL 18 7.976 6.269 -14.890 142 HG22 VAL 18 2HG2 VAL 18 8.656 7.544 -13.877 143 HG23 VAL 18 3HG2 VAL 18 6.907 7.399 -14.058 144 H GLU 19 H GLU 19 5.836 5.945 -15.097 145 HA GLU 19 HA GLU 19 3.489 7.046 -13.898 146 HB2 GLU 19 2HB GLU 19 4.457 7.780 -16.092 147 HB3 GLU 19 1HB GLU 19 3.874 6.275 -16.797 148 HG2 GLU 19 2HG GLU 19 1.560 6.878 -16.100 149 HG3 GLU 19 1HG GLU 19 2.171 8.423 -15.507 150 H HIS 20 H HIS 20 4.123 4.001 -15.582 151 HA HIS 20 HA HIS 20 1.403 3.070 -15.587 152 HB2 HIS 20 2HB HIS 20 2.973 1.991 -17.057 153 HB3 HIS 20 1HB HIS 20 4.037 1.585 -15.706 154 HD1 HIS 20 1HD HIS 20 1.084 0.395 -17.554 155 HD2 HIS 20 2HD HIS 20 2.827 -0.366 -13.833 156 HE1 HIS 20 1HE HIS 20 0.007 -1.714 -16.667 157 HE2 HIS 20 2HE HIS 20 1.079 -2.203 -14.430 158 H CYS 21 H CYS 21 4.129 2.543 -13.379 159 HA CYS 21 HA CYS 21 3.009 0.682 -11.628 160 HB2 CYS 21 2HB CYS 21 4.737 3.091 -10.993 161 HB3 CYS 21 1HB CYS 21 4.451 1.750 -9.889 162 HG CYS 21 HG CYS 21 5.957 1.436 -12.612 163 H PHE 22 H PHE 22 2.599 4.203 -11.662 164 HA PHE 22 HA PHE 22 0.754 4.063 -9.404 165 HB2 PHE 22 2HB PHE 22 2.153 6.169 -10.844 166 HB3 PHE 22 1HB PHE 22 0.472 6.595 -10.485 167 HD1 PHE 22 1HD PHE 22 -0.259 7.001 -8.256 168 HD2 PHE 22 2HD PHE 22 3.627 5.333 -8.992 169 HE1 PHE 22 1HE PHE 22 0.300 7.245 -5.855 170 HE2 PHE 22 2HE PHE 22 4.190 5.584 -6.596 171 HZ PHE 22 HZ PHE 22 2.527 6.531 -5.030 172 H GLU 23 H GLU 23 0.538 4.056 -12.876 173 HA GLU 23 HA GLU 23 -2.172 4.899 -13.134 174 HB2 GLU 23 2HB GLU 23 -0.679 4.535 -15.079 175 HB3 GLU 23 1HB GLU 23 -0.693 2.805 -14.742 176 HG2 GLU 23 2HG GLU 23 -3.152 2.774 -15.031 177 HG3 GLU 23 1HG GLU 23 -3.110 4.493 -15.434 178 H VAL 24 H VAL 24 -0.706 1.759 -12.416 179 HA VAL 24 HA VAL 24 -3.166 0.285 -12.362 180 HB VAL 24 HB VAL 24 -0.499 -0.206 -11.002 181 HG11 VAL 24 1HG1 VAL 24 -3.056 -1.748 -11.109 182 HG12 VAL 24 2HG1 VAL 24 -1.893 -1.596 -9.794 183 HG13 VAL 24 3HG1 VAL 24 -1.537 -2.639 -11.170 184 HG21 VAL 24 1HG2 VAL 24 -1.388 -1.909 -13.235 185 HG22 VAL 24 2HG2 VAL 24 0.179 -1.152 -12.955 186 HG23 VAL 24 3HG2 VAL 24 -1.130 -0.224 -13.688 187 H PHE 25 H PHE 25 -1.268 1.960 -9.869 188 HA PHE 25 HA PHE 25 -2.788 1.140 -7.612 189 HB2 PHE 25 2HB PHE 25 -1.098 3.555 -8.211 190 HB3 PHE 25 1HB PHE 25 -1.928 3.392 -6.672 191 HD1 PHE 25 1HD PHE 25 -0.811 0.313 -8.360 192 HD2 PHE 25 2HD PHE 25 0.268 3.375 -5.537 193 HE1 PHE 25 1HE PHE 25 1.001 -1.106 -7.517 194 HE2 PHE 25 2HE PHE 25 2.091 1.935 -4.696 195 HZ PHE 25 HZ PHE 25 2.454 -0.309 -5.689 196 H THR 26 H THR 26 -3.219 3.916 -9.783 197 HA THR 26 HA THR 26 -5.672 4.630 -8.297 198 HB THR 26 HB THR 26 -5.661 6.622 -9.837 199 HG1 THR 26 1HG THR 26 -3.090 6.389 -10.525 200 HG21 THR 26 1HG2 THR 26 -3.834 5.937 -7.694 201 HG22 THR 26 2HG2 THR 26 -4.638 7.476 -8.019 202 HG23 THR 26 3HG2 THR 26 -3.098 7.101 -8.796 203 H SER 27 H SER 27 -4.910 2.591 -10.829 204 HA SER 27 HA SER 27 -7.397 3.205 -12.326 205 HB2 SER 27 2HB SER 27 -5.469 2.807 -13.721 206 HB3 SER 27 1HB SER 27 -5.143 1.284 -12.900 207 HG SER 27 HG SER 27 -7.257 1.974 -14.635 208 H ARG 28 H ARG 28 -5.887 0.369 -10.685 209 HA ARG 28 HA ARG 28 -8.451 -0.489 -9.668 210 HB2 ARG 28 2HB ARG 28 -8.369 -2.688 -11.074 211 HB3 ARG 28 1HB ARG 28 -9.088 -1.245 -11.777 212 HG2 ARG 28 2HG ARG 28 -7.637 -2.170 -13.447 213 HG3 ARG 28 1HG ARG 28 -6.812 -0.754 -12.820 214 HD2 ARG 28 2HD ARG 28 -5.359 -2.118 -11.462 215 HD3 ARG 28 1HD ARG 28 -6.305 -3.566 -11.811 216 HE ARG 28 HE ARG 28 -5.395 -2.489 -14.280 217 HH11 ARG 28 1HH1 ARG 28 -3.596 -3.427 -15.275 218 HH12 ARG 28 2HH1 ARG 28 -2.494 -4.372 -14.330 219 HH21 ARG 28 1HH2 ARG 28 -4.244 -3.934 -11.369 220 HH22 ARG 28 2HH2 ARG 28 -2.862 -4.657 -12.118 221 HA PRO 29 HA PRO 29 -4.423 -2.313 -7.944 222 HB2 PRO 29 2HB PRO 29 -4.945 -1.485 -5.348 223 HB3 PRO 29 1HB PRO 29 -3.912 -0.622 -6.504 224 HG2 PRO 29 2HG PRO 29 -6.753 -0.136 -5.773 225 HG3 PRO 29 1HG PRO 29 -5.453 1.022 -6.098 226 HD2 PRO 29 2HD PRO 29 -7.351 0.504 -7.944 227 HD3 PRO 29 1HD PRO 29 -5.671 0.819 -8.421 228 H ALA 30 H ALA 30 -7.794 -2.363 -6.911 229 HA ALA 30 HA ALA 30 -7.434 -4.695 -5.192 230 HB1 ALA 30 1HB ALA 30 -9.969 -3.477 -6.305 231 HB2 ALA 30 2HB ALA 30 -9.221 -3.052 -4.765 232 HB3 ALA 30 3HB ALA 30 -9.875 -4.669 -5.015 233 H ASP 31 H ASP 31 -8.466 -4.144 -8.521 234 HA ASP 31 HA ASP 31 -9.650 -6.623 -9.093 235 HB2 ASP 31 2HB ASP 31 -7.892 -4.893 -10.847 236 HB3 ASP 31 1HB ASP 31 -8.813 -6.273 -11.445 237 H TRP 32 H TRP 32 -6.191 -5.876 -8.777 238 HA TRP 32 HA TRP 32 -5.580 -8.696 -9.522 239 HB2 TRP 32 2HB TRP 32 -3.649 -7.875 -10.351 240 HB3 TRP 32 1HB TRP 32 -4.169 -6.247 -9.913 241 HD1 TRP 32 HD TRP 32 -2.060 -9.166 -8.654 242 HE1 TRP 32 1HE TRP 32 -0.585 -8.353 -6.704 243 HE3 TRP 32 3HE TRP 32 -3.911 -4.481 -8.084 244 HZ2 TRP 32 2HZ TRP 32 -0.254 -6.001 -5.116 245 HZ3 TRP 32 3HZ TRP 32 -2.999 -2.954 -6.340 246 HH2 TRP 32 HH TRP 32 -1.164 -3.713 -4.863 247 H TRP 33 H TRP 33 -5.760 -10.075 -7.838 248 HA TRP 33 HA TRP 33 -4.976 -9.114 -5.121 249 HB2 TRP 33 2HB TRP 33 -6.456 -11.623 -5.188 250 HB3 TRP 33 1HB TRP 33 -6.830 -10.129 -4.325 251 HD1 TRP 33 HD TRP 33 -8.694 -8.646 -5.272 252 HE1 TRP 33 1HE TRP 33 -10.162 -8.700 -7.391 253 HE3 TRP 33 3HE TRP 33 -6.370 -12.385 -7.860 254 HZ2 TRP 33 2HZ TRP 33 -10.329 -10.141 -9.857 255 HZ3 TRP 33 3HZ TRP 33 -7.203 -13.077 -10.089 256 HH2 TRP 33 HH TRP 33 -9.178 -11.961 -11.091 257 HA PRO 34 HA PRO 34 -1.804 -12.117 -4.534 258 HB2 PRO 34 2HB PRO 34 -3.438 -13.785 -2.691 259 HB3 PRO 34 1HB PRO 34 -1.869 -13.005 -2.414 260 HG2 PRO 34 2HG PRO 34 -4.126 -12.069 -1.334 261 HG3 PRO 34 1HG PRO 34 -2.808 -11.002 -1.849 262 HD2 PRO 34 2HD PRO 34 -5.446 -11.497 -3.151 263 HD3 PRO 34 1HD PRO 34 -4.452 -10.025 -3.131 264 HA PRO 35 HA PRO 35 -2.183 -15.660 -7.164 265 HB2 PRO 35 2HB PRO 35 -1.285 -17.438 -4.942 266 HB3 PRO 35 1HB PRO 35 -0.641 -17.273 -6.586 267 HG2 PRO 35 2HG PRO 35 0.603 -16.239 -4.451 268 HG3 PRO 35 1HG PRO 35 0.649 -15.470 -6.046 269 HD2 PRO 35 2HD PRO 35 -0.810 -14.627 -3.604 270 HD3 PRO 35 1HD PRO 35 -0.245 -13.655 -4.979 271 H SER 36 H SER 36 -3.681 -17.341 -7.634 272 HA SER 36 HA SER 36 -6.117 -17.378 -6.167 273 HB2 SER 36 2HB SER 36 -6.769 -19.213 -7.612 274 HB3 SER 36 1HB SER 36 -5.838 -18.067 -8.571 275 HG SER 36 HG SER 36 -4.133 -19.418 -8.547 276 H HIS 37 H HIS 37 -3.163 -19.181 -5.787 277 HA HIS 37 HA HIS 37 -4.031 -21.471 -4.413 278 HB2 HIS 37 2HB HIS 37 -1.604 -19.756 -3.796 279 HB3 HIS 37 1HB HIS 37 -1.837 -21.424 -3.273 280 HD1 HIS 37 1HD HIS 37 -2.282 -23.169 -5.376 281 HD2 HIS 37 2HD HIS 37 -0.366 -19.572 -6.263 282 HE1 HIS 37 1HE HIS 37 -1.149 -23.494 -7.620 283 HE2 HIS 37 2HE HIS 37 0.020 -21.310 -8.169 284 H VAL 38 H VAL 38 -3.752 -18.140 -3.274 285 HA VAL 38 HA VAL 38 -5.122 -18.986 -0.751 286 HB VAL 38 HB VAL 38 -2.727 -18.377 -0.358 287 HG11 VAL 38 1HG1 VAL 38 -3.277 -15.509 -0.813 288 HG12 VAL 38 2HG1 VAL 38 -3.145 -16.479 -2.279 289 HG13 VAL 38 3HG1 VAL 38 -1.811 -16.438 -1.126 290 HG21 VAL 38 1HG2 VAL 38 -4.332 -18.029 1.437 291 HG22 VAL 38 2HG2 VAL 38 -4.840 -16.493 0.733 292 HG23 VAL 38 3HG2 VAL 38 -3.220 -16.660 1.408 293 H LEU 39 H LEU 39 -6.856 -17.695 -0.150 294 HA LEU 39 HA LEU 39 -7.619 -15.581 -2.105 295 HB2 LEU 39 2HB LEU 39 -9.326 -16.938 0.000 296 HB3 LEU 39 1HB LEU 39 -9.893 -15.881 -1.292 297 HG LEU 39 HG LEU 39 -8.568 -18.587 -1.629 298 HD11 LEU 39 1HD1 LEU 39 -10.668 -19.405 -2.218 299 HD12 LEU 39 2HD1 LEU 39 -11.280 -17.808 -2.651 300 HD13 LEU 39 3HD1 LEU 39 -11.096 -18.251 -0.955 301 HD21 LEU 39 1HD2 LEU 39 -9.334 -18.057 -4.090 302 HD22 LEU 39 2HD2 LEU 39 -7.811 -17.395 -3.497 303 HD23 LEU 39 3HD2 LEU 39 -9.252 -16.379 -3.555 304 H VAL 40 H VAL 40 -8.113 -13.485 -1.404 305 HA VAL 40 HA VAL 40 -6.738 -12.452 0.853 306 HB VAL 40 HB VAL 40 -7.481 -11.067 -1.071 307 HG11 VAL 40 1HG1 VAL 40 -10.238 -11.542 0.101 308 HG12 VAL 40 2HG1 VAL 40 -9.658 -12.070 -1.476 309 HG13 VAL 40 3HG1 VAL 40 -9.873 -10.352 -1.146 310 HG21 VAL 40 1HG2 VAL 40 -8.430 -9.154 0.297 311 HG22 VAL 40 2HG2 VAL 40 -6.946 -9.858 0.937 312 HG23 VAL 40 3HG2 VAL 40 -8.496 -10.261 1.666 313 H LYS 41 H LYS 41 -7.504 -11.852 2.954 314 HA LYS 41 HA LYS 41 -9.401 -13.613 4.155 315 HB2 LYS 41 2HB LYS 41 -7.606 -12.363 5.386 316 HB3 LYS 41 1HB LYS 41 -8.555 -10.895 5.172 317 HG2 LYS 41 2HG LYS 41 -10.455 -11.966 6.355 318 HG3 LYS 41 1HG LYS 41 -9.459 -13.397 6.619 319 HD2 LYS 41 2HD LYS 41 -7.794 -11.940 7.809 320 HD3 LYS 41 1HD LYS 41 -8.937 -10.604 7.672 321 HE2 LYS 41 2HE LYS 41 -9.529 -13.254 9.024 322 HE3 LYS 41 1HE LYS 41 -9.107 -11.764 9.868 323 HZ1 LYS 41 1HZ LYS 41 -11.286 -11.371 9.857 324 HZ2 LYS 41 2HZ LYS 41 -11.598 -12.552 8.677 325 HZ3 LYS 41 3HZ LYS 41 -11.105 -10.994 8.213 326 H LYS 42 H LYS 42 -9.701 -10.332 2.882 327 HA LYS 42 HA LYS 42 -12.670 -10.567 3.177 328 HB2 LYS 42 2HB LYS 42 -12.778 -8.165 3.449 329 HB3 LYS 42 1HB LYS 42 -11.575 -8.769 4.590 330 HG2 LYS 42 2HG LYS 42 -9.795 -8.251 2.893 331 HG3 LYS 42 1HG LYS 42 -11.035 -7.494 1.892 332 HD2 LYS 42 2HD LYS 42 -11.593 -6.056 3.937 333 HD3 LYS 42 1HD LYS 42 -10.073 -6.637 4.620 334 HE2 LYS 42 2HE LYS 42 -8.968 -5.885 2.440 335 HE3 LYS 42 1HE LYS 42 -10.476 -5.040 2.086 336 HZ1 LYS 42 1HZ LYS 42 -9.780 -4.432 4.709 337 HZ2 LYS 42 2HZ LYS 42 -9.786 -3.392 3.365 338 HZ3 LYS 42 3HZ LYS 42 -8.375 -4.243 3.778 339 H GLU 43 H GLU 43 -13.835 -10.248 1.273 340 HA GLU 43 HA GLU 43 -12.307 -10.215 -1.210 341 HB2 GLU 43 2HB GLU 43 -15.287 -10.116 -0.717 342 HB3 GLU 43 1HB GLU 43 -14.533 -10.339 -2.293 343 HG2 GLU 43 2HG GLU 43 -13.409 -12.385 -1.436 344 HG3 GLU 43 1HG GLU 43 -14.248 -12.179 0.101 345 H ARG 44 H ARG 44 -11.686 -8.406 -2.264 346 HA ARG 44 HA ARG 44 -12.510 -5.774 -1.380 347 HB2 ARG 44 2HB ARG 44 -11.100 -6.510 -3.964 348 HB3 ARG 44 1HB ARG 44 -11.110 -4.936 -3.161 349 HG2 ARG 44 2HG ARG 44 -10.039 -6.035 -1.162 350 HG3 ARG 44 1HG ARG 44 -9.862 -7.494 -2.131 351 HD2 ARG 44 2HD ARG 44 -8.600 -6.148 -3.829 352 HD3 ARG 44 1HD ARG 44 -8.662 -4.776 -2.725 353 HE ARG 44 HE ARG 44 -7.554 -7.168 -1.484 354 HH11 ARG 44 1HH1 ARG 44 -5.351 -7.074 -0.980 355 HH12 ARG 44 2HH1 ARG 44 -4.369 -5.833 -1.682 356 HH21 ARG 44 1HH2 ARG 44 -6.976 -4.410 -3.471 357 HH22 ARG 44 2HH2 ARG 44 -5.289 -4.325 -3.093 358 H ALA 45 H ALA 45 -13.976 -4.353 -2.423 359 HA ALA 45 HA ALA 45 -15.689 -5.644 -4.518 360 HB1 ALA 45 1HB ALA 45 -16.391 -4.045 -2.073 361 HB2 ALA 45 2HB ALA 45 -17.036 -5.601 -2.600 362 HB3 ALA 45 3HB ALA 45 -17.499 -4.121 -3.443 363 H GLY 46 H GLY 46 -14.738 -2.444 -3.200 364 HA2 GLY 46 2HA GLY 46 -14.793 -1.430 -6.000 365 HA3 GLY 46 1HA GLY 46 -15.734 -0.579 -4.780 366 H LEU 47 H LEU 47 -13.813 0.866 -6.049 367 HA LEU 47 HA LEU 47 -11.943 1.410 -3.844 368 HB2 LEU 47 2HB LEU 47 -10.335 1.520 -6.185 369 HB3 LEU 47 1HB LEU 47 -10.135 0.469 -4.786 370 HG LEU 47 HG LEU 47 -11.609 -1.211 -5.800 371 HD11 LEU 47 1HD1 LEU 47 -13.148 -0.531 -7.310 372 HD12 LEU 47 2HD1 LEU 47 -11.836 -0.335 -8.470 373 HD13 LEU 47 3HD1 LEU 47 -12.349 1.030 -7.484 374 HD21 LEU 47 1HD2 LEU 47 -9.481 -0.163 -7.672 375 HD22 LEU 47 2HD2 LEU 47 -10.198 -1.767 -7.778 376 HD23 LEU 47 3HD2 LEU 47 -9.239 -1.319 -6.365 377 H ALA 48 H ALA 48 -11.644 3.588 -3.657 378 HA ALA 48 HA ALA 48 -12.438 5.295 -5.985 379 HB1 ALA 48 1HB ALA 48 -12.187 6.575 -3.332 380 HB2 ALA 48 2HB ALA 48 -13.469 5.368 -3.440 381 HB3 ALA 48 3HB ALA 48 -13.456 6.743 -4.544 382 H PHE 49 H PHE 49 -10.866 6.729 -6.775 383 HA PHE 49 HA PHE 49 -8.360 7.008 -5.183 384 HB2 PHE 49 2HB PHE 49 -8.740 5.610 -7.743 385 HB3 PHE 49 1HB PHE 49 -7.411 6.767 -7.733 386 HD1 PHE 49 1HD PHE 49 -5.531 6.513 -6.154 387 HD2 PHE 49 2HD PHE 49 -8.697 3.627 -6.386 388 HE1 PHE 49 1HE PHE 49 -4.117 4.872 -4.950 389 HE2 PHE 49 2HE PHE 49 -7.295 1.988 -5.182 390 HZ PHE 49 HZ PHE 49 -4.991 2.607 -4.467 391 H GLU 50 H GLU 50 -7.757 9.114 -5.125 392 HA GLU 50 HA GLU 50 -8.309 10.780 -7.537 393 HB2 GLU 50 2HB GLU 50 -10.008 11.326 -5.842 394 HB3 GLU 50 1HB GLU 50 -8.745 11.643 -4.665 395 HG2 GLU 50 2HG GLU 50 -7.843 13.408 -6.235 396 HG3 GLU 50 1HG GLU 50 -9.286 13.164 -7.218 397 HA PRO 51 HA PRO 51 -3.932 11.579 -6.773 398 HB2 PRO 51 2HB PRO 51 -3.420 13.313 -8.760 399 HB3 PRO 51 1HB PRO 51 -3.827 11.617 -9.098 400 HG2 PRO 51 2HG PRO 51 -5.549 14.044 -9.264 401 HG3 PRO 51 1HG PRO 51 -5.444 12.659 -10.364 402 HD2 PRO 51 2HD PRO 51 -7.405 12.957 -8.431 403 HD3 PRO 51 1HD PRO 51 -6.904 11.401 -9.125 404 H PHE 52 H PHE 52 -2.681 13.081 -5.596 405 HA PHE 52 HA PHE 52 -2.760 15.843 -5.560 406 HB2 PHE 52 2HB PHE 52 -4.213 16.134 -3.378 407 HB3 PHE 52 1HB PHE 52 -4.985 16.149 -4.956 408 HD1 PHE 52 1HD PHE 52 -7.115 15.527 -3.773 409 HD2 PHE 52 2HD PHE 52 -3.703 12.911 -3.768 410 HE1 PHE 52 1HE PHE 52 -8.548 13.624 -3.079 411 HE2 PHE 52 2HE PHE 52 -5.145 11.027 -3.113 412 HZ PHE 52 HZ PHE 52 -7.551 11.371 -2.760 413 H VAL 53 H VAL 53 -2.146 16.796 -3.302 414 HA VAL 53 HA VAL 53 -0.080 15.017 -2.148 415 HB VAL 53 HB VAL 53 0.962 17.057 -2.310 416 HG11 VAL 53 1HG1 VAL 53 -0.325 19.230 -2.224 417 HG12 VAL 53 2HG1 VAL 53 -1.802 18.275 -2.094 418 HG13 VAL 53 3HG1 VAL 53 -0.797 18.151 -3.538 419 HG21 VAL 53 1HG2 VAL 53 0.960 18.246 -0.239 420 HG22 VAL 53 2HG2 VAL 53 0.569 16.578 0.176 421 HG23 VAL 53 3HG2 VAL 53 -0.709 17.792 0.104 422 H GLY 54 H GLY 54 -0.200 14.320 0.075 423 HA2 GLY 54 2HA GLY 54 -1.354 13.809 2.092 424 HA3 GLY 54 1HA GLY 54 -2.228 15.338 1.884 425 H GLY 55 H GLY 55 -1.959 12.922 -0.557 426 HA2 GLY 55 2HA GLY 55 -4.744 12.917 -1.113 427 HA3 GLY 55 1HA GLY 55 -3.530 11.863 -1.828 428 H ARG 56 H ARG 56 -5.847 10.689 -1.570 429 HA ARG 56 HA ARG 56 -5.364 8.755 0.619 430 HB2 ARG 56 2HB ARG 56 -7.956 10.281 0.286 431 HB3 ARG 56 1HB ARG 56 -7.761 8.869 1.323 432 HG2 ARG 56 2HG ARG 56 -5.938 10.091 2.536 433 HG3 ARG 56 1HG ARG 56 -6.314 11.521 1.575 434 HD2 ARG 56 2HD ARG 56 -8.686 11.361 2.407 435 HD3 ARG 56 1HD ARG 56 -8.156 10.084 3.501 436 HE ARG 56 HE ARG 56 -7.151 11.738 4.853 437 HH11 ARG 56 1HH1 ARG 56 -6.618 13.877 5.348 438 HH12 ARG 56 2HH1 ARG 56 -6.758 15.096 4.125 439 HH21 ARG 56 1HH2 ARG 56 -7.872 12.896 1.687 440 HH22 ARG 56 2HH2 ARG 56 -7.466 14.540 2.052 441 H TYR 57 H TYR 57 -6.173 6.717 0.193 442 HA TYR 57 HA TYR 57 -7.587 6.336 -2.415 443 HB2 TYR 57 2HB TYR 57 -5.719 4.340 -1.100 444 HB3 TYR 57 1HB TYR 57 -6.418 4.242 -2.713 445 HD1 TYR 57 1HD TYR 57 -5.992 7.010 -3.749 446 HD2 TYR 57 2HD TYR 57 -3.410 4.468 -1.431 447 HE1 TYR 57 1HE TYR 57 -4.022 8.195 -4.648 448 HE2 TYR 57 2HE TYR 57 -1.436 5.657 -2.342 449 HH TYR 57 HH TYR 57 -0.843 7.005 -4.299 450 H TYR 58 H TYR 58 -9.428 5.039 -2.299 451 HA TYR 58 HA TYR 58 -10.130 4.064 0.443 452 HB2 TYR 58 2HB TYR 58 -12.044 4.989 -1.700 453 HB3 TYR 58 1HB TYR 58 -12.400 4.678 -0.001 454 HD1 TYR 58 1HD TYR 58 -10.222 6.784 -2.202 455 HD2 TYR 58 2HD TYR 58 -12.250 6.416 1.569 456 HE1 TYR 58 1HE TYR 58 -9.580 9.104 -1.633 457 HE2 TYR 58 2HE TYR 58 -11.613 8.742 2.136 458 HH TYR 58 HH TYR 58 -11.013 10.899 0.635 459 H GLU 59 H GLU 59 -11.036 2.055 0.653 460 HA GLU 59 HA GLU 59 -11.359 0.425 -1.837 461 HB2 GLU 59 2HB GLU 59 -9.254 -0.103 -0.579 462 HB3 GLU 59 1HB GLU 59 -10.241 -0.523 0.819 463 HG2 GLU 59 2HG GLU 59 -11.402 -2.241 -0.553 464 HG3 GLU 59 1HG GLU 59 -10.335 -1.851 -1.904 465 H TRP 60 H TRP 60 -13.131 -0.950 -1.840 466 HA TRP 60 HA TRP 60 -15.032 -0.594 0.434 467 HB2 TRP 60 2HB TRP 60 -15.289 -0.831 -2.485 468 HB3 TRP 60 1HB TRP 60 -16.441 -1.817 -1.586 469 HD1 TRP 60 HD TRP 60 -17.684 -0.344 0.521 470 HE1 TRP 60 1HE TRP 60 -18.716 2.015 0.306 471 HE3 TRP 60 3HE TRP 60 -15.258 1.310 -3.658 472 HZ2 TRP 60 2HZ TRP 60 -18.513 4.310 -1.411 473 HZ3 TRP 60 3HZ TRP 60 -15.688 3.575 -4.558 474 HH2 TRP 60 HH TRP 60 -17.312 5.074 -3.442 475 H ASP 61 H ASP 61 -15.525 -2.360 1.670 476 HA ASP 61 HA ASP 61 -14.660 -5.039 0.625 477 HB2 ASP 61 2HB ASP 61 -14.818 -4.088 3.498 478 HB3 ASP 61 1HB ASP 61 -14.359 -5.710 2.984 479 H ILE 62 H ILE 62 -16.203 -6.656 0.651 480 HA ILE 62 HA ILE 62 -18.928 -6.019 0.636 481 HB ILE 62 HB ILE 62 -19.239 -8.547 1.099 482 HG12 ILE 62 2HG1 ILE 62 -17.119 -9.838 0.617 483 HG13 ILE 62 1HG1 ILE 62 -16.234 -8.354 0.909 484 HG21 ILE 62 1HG2 ILE 62 -18.460 -9.083 -1.182 485 HG22 ILE 62 2HG2 ILE 62 -17.545 -7.575 -1.208 486 HG23 ILE 62 3HG2 ILE 62 -19.306 -7.537 -1.129 487 HD11 ILE 62 1HD1 ILE 62 -16.480 -8.511 3.157 488 HD12 ILE 62 2HD1 ILE 62 -16.884 -10.196 2.837 489 HD13 ILE 62 3HD1 ILE 62 -18.167 -9.005 3.022 490 H ASP 63 H ASP 63 -16.868 -6.749 3.364 491 HA ASP 63 HA ASP 63 -19.256 -6.714 5.155 492 HB2 ASP 63 2HB ASP 63 -16.393 -7.600 5.592 493 HB3 ASP 63 1HB ASP 63 -17.547 -7.413 6.913 494 H GLY 64 H GLY 64 -16.527 -4.898 4.096 495 HA2 GLY 64 2HA GLY 64 -16.945 -2.941 6.306 496 HA3 GLY 64 1HA GLY 64 -15.438 -3.100 5.412 497 H THR 65 H THR 65 -17.775 -1.016 5.795 498 HA THR 65 HA THR 65 -18.838 -0.391 3.243 499 HB THR 65 HB THR 65 -18.041 1.708 5.232 500 HG1 THR 65 1HG THR 65 -19.012 -0.351 6.135 501 HG21 THR 65 1HG2 THR 65 -19.667 2.931 4.233 502 HG22 THR 65 2HG2 THR 65 -20.771 1.557 4.158 503 HG23 THR 65 3HG2 THR 65 -19.528 1.756 2.925 504 H GLU 66 H GLU 66 -17.807 2.413 3.223 505 HA GLU 66 HA GLU 66 -15.381 1.883 1.599 506 HB2 GLU 66 2HB GLU 66 -17.395 3.440 0.936 507 HB3 GLU 66 1HB GLU 66 -16.611 4.593 1.998 508 HG2 GLU 66 2HG GLU 66 -14.502 4.272 0.724 509 HG3 GLU 66 1HG GLU 66 -15.383 3.250 -0.407 510 H ILE 67 H ILE 67 -13.363 2.436 2.360 511 HA ILE 67 HA ILE 67 -13.131 4.453 4.499 512 HB ILE 67 HB ILE 67 -13.515 2.153 5.564 513 HG12 ILE 67 2HG1 ILE 67 -10.834 3.341 6.256 514 HG13 ILE 67 1HG1 ILE 67 -12.334 4.208 6.594 515 HG21 ILE 67 1HG2 ILE 67 -11.961 0.471 5.316 516 HG22 ILE 67 2HG2 ILE 67 -10.636 1.598 5.024 517 HG23 ILE 67 3HG2 ILE 67 -11.785 1.236 3.736 518 HD11 ILE 67 1HD1 ILE 67 -13.143 2.387 7.970 519 HD12 ILE 67 2HD1 ILE 67 -11.527 2.823 8.527 520 HD13 ILE 67 3HD1 ILE 67 -11.759 1.386 7.531 521 H VAL 68 H VAL 68 -10.793 4.946 4.958 522 HA VAL 68 HA VAL 68 -9.224 4.663 2.443 523 HB VAL 68 HB VAL 68 -9.591 6.957 3.340 524 HG11 VAL 68 1HG1 VAL 68 -7.717 6.547 5.584 525 HG12 VAL 68 2HG1 VAL 68 -9.290 5.778 5.796 526 HG13 VAL 68 3HG1 VAL 68 -9.190 7.515 5.510 527 HG21 VAL 68 1HG2 VAL 68 -6.740 5.928 3.506 528 HG22 VAL 68 2HG2 VAL 68 -7.185 7.628 3.369 529 HG23 VAL 68 3HG2 VAL 68 -7.555 6.512 2.055 530 H TRP 69 H TRP 69 -7.489 3.308 2.418 531 HA TRP 69 HA TRP 69 -6.581 2.204 5.047 532 HB2 TRP 69 2HB TRP 69 -6.175 0.164 4.009 533 HB3 TRP 69 1HB TRP 69 -7.564 0.738 3.091 534 HD1 TRP 69 HD TRP 69 -3.768 0.350 2.855 535 HE1 TRP 69 1HE TRP 69 -3.081 0.475 0.380 536 HE3 TRP 69 3HE TRP 69 -8.252 1.565 0.754 537 HZ2 TRP 69 2HZ TRP 69 -4.270 0.988 -2.157 538 HZ3 TRP 69 3HZ TRP 69 -8.442 1.847 -1.700 539 HH2 TRP 69 HH TRP 69 -6.466 1.560 -3.146 540 H GLY 70 H GLY 70 -5.651 4.505 2.907 541 HA2 GLY 70 2HA GLY 70 -2.861 4.331 3.800 542 HA3 GLY 70 1HA GLY 70 -3.079 4.132 2.061 543 H ARG 71 H ARG 71 -1.602 6.231 2.614 544 HA ARG 71 HA ARG 71 -3.362 8.526 2.000 545 HB2 ARG 71 2HB ARG 71 -2.485 8.179 4.604 546 HB3 ARG 71 1HB ARG 71 -1.259 9.243 3.920 547 HG2 ARG 71 2HG ARG 71 -3.127 10.694 3.043 548 HG3 ARG 71 1HG ARG 71 -4.243 9.713 3.990 549 HD2 ARG 71 2HD ARG 71 -3.691 11.604 5.355 550 HD3 ARG 71 1HD ARG 71 -2.792 10.239 6.017 551 HE ARG 71 HE ARG 71 -1.215 11.659 4.058 552 HH11 ARG 71 1HH1 ARG 71 0.494 12.909 4.849 553 HH12 ARG 71 2HH1 ARG 71 0.529 13.342 6.525 554 HH21 ARG 71 1HH2 ARG 71 -2.431 11.703 7.282 555 HH22 ARG 71 2HH2 ARG 71 -1.128 12.660 7.903 556 H ILE 72 H ILE 72 -1.710 10.504 1.698 557 HA ILE 72 HA ILE 72 0.766 9.511 0.397 558 HB ILE 72 HB ILE 72 -1.313 11.329 -0.844 559 HG12 ILE 72 2HG1 ILE 72 -0.824 9.637 -2.764 560 HG13 ILE 72 1HG1 ILE 72 -0.102 8.641 -1.503 561 HG21 ILE 72 1HG2 ILE 72 1.584 10.873 -1.587 562 HG22 ILE 72 2HG2 ILE 72 0.783 12.411 -1.261 563 HG23 ILE 72 3HG2 ILE 72 0.393 11.506 -2.723 564 HD11 ILE 72 1HD1 ILE 72 -2.557 9.490 -0.437 565 HD12 ILE 72 2HD1 ILE 72 -2.172 7.885 -1.039 566 HD13 ILE 72 3HD1 ILE 72 -2.906 9.076 -2.111 567 H LEU 73 H LEU 73 2.328 11.429 0.053 568 HA LEU 73 HA LEU 73 1.884 13.463 2.203 569 HB2 LEU 73 2HB LEU 73 4.367 12.030 1.288 570 HB3 LEU 73 1HB LEU 73 4.463 13.551 2.172 571 HG LEU 73 HG LEU 73 2.708 11.362 3.231 572 HD11 LEU 73 1HD1 LEU 73 5.681 11.558 3.774 573 HD12 LEU 73 2HD1 LEU 73 4.950 10.358 2.708 574 HD13 LEU 73 3HD1 LEU 73 4.558 10.364 4.427 575 HD21 LEU 73 1HD2 LEU 73 4.454 13.013 4.963 576 HD22 LEU 73 2HD2 LEU 73 2.744 12.620 5.138 577 HD23 LEU 73 3HD2 LEU 73 3.243 13.912 4.049 578 H GLU 74 H GLU 74 3.347 12.892 -0.967 579 HA GLU 74 HA GLU 74 2.483 15.360 -2.096 580 HB2 GLU 74 2HB GLU 74 4.208 16.275 -0.501 581 HB3 GLU 74 1HB GLU 74 5.425 15.306 -1.336 582 HG2 GLU 74 2HG GLU 74 4.837 16.463 -3.463 583 HG3 GLU 74 1HG GLU 74 3.710 17.483 -2.568 584 H TRP 75 H TRP 75 3.124 15.446 -4.354 585 HA TRP 75 HA TRP 75 4.378 12.901 -5.275 586 HB2 TRP 75 2HB TRP 75 3.151 13.228 -7.364 587 HB3 TRP 75 1HB TRP 75 2.035 13.293 -5.996 588 HD1 TRP 75 HD TRP 75 1.099 15.690 -5.277 589 HE1 TRP 75 1HE TRP 75 0.851 17.889 -6.601 590 HE3 TRP 75 3HE TRP 75 4.189 14.698 -9.219 591 HZ2 TRP 75 2HZ TRP 75 1.835 19.071 -9.014 592 HZ3 TRP 75 3HZ TRP 75 4.515 16.375 -11.015 593 HH2 TRP 75 HH TRP 75 3.343 18.558 -10.917 594 H ASP 76 H ASP 76 6.383 13.077 -6.113 595 HA ASP 76 HA ASP 76 7.292 15.743 -7.052 596 HB2 ASP 76 2HB ASP 76 8.551 13.794 -5.468 597 HB3 ASP 76 1HB ASP 76 9.355 13.697 -7.037 598 HA PRO 77 HA PRO 77 6.453 14.786 -11.320 599 HB2 PRO 77 2HB PRO 77 9.364 15.535 -11.520 600 HB3 PRO 77 1HB PRO 77 8.027 15.947 -12.617 601 HG2 PRO 77 2HG PRO 77 8.894 17.643 -10.722 602 HG3 PRO 77 1HG PRO 77 7.198 17.563 -11.226 603 HD2 PRO 77 2HD PRO 77 8.378 16.802 -8.661 604 HD3 PRO 77 1HD PRO 77 6.658 16.961 -9.086 605 HA PRO 78 HA PRO 78 7.261 10.575 -12.286 606 HB2 PRO 78 2HB PRO 78 8.780 11.707 -14.617 607 HB3 PRO 78 1HB PRO 78 7.621 10.363 -14.578 608 HG2 PRO 78 2HG PRO 78 6.969 12.889 -15.345 609 HG3 PRO 78 1HG PRO 78 5.819 11.740 -14.646 610 HD2 PRO 78 2HD PRO 78 6.790 14.221 -13.496 611 HD3 PRO 78 1HD PRO 78 5.567 13.110 -12.841 612 H HIS 79 H HIS 79 8.782 10.671 -10.346 613 HA HIS 79 HA HIS 79 11.288 9.482 -11.022 614 HB2 HIS 79 2HB HIS 79 11.575 12.073 -11.481 615 HB3 HIS 79 1HB HIS 79 11.753 12.143 -9.725 616 HD1 HIS 79 1HD HIS 79 13.279 9.597 -9.135 617 HD2 HIS 79 2HD HIS 79 14.208 12.055 -12.376 618 HE1 HIS 79 1HE HIS 79 15.678 9.081 -9.758 619 HE2 HIS 79 2HE HIS 79 16.258 10.576 -11.726 620 H ARG 80 H ARG 80 9.636 11.459 -8.495 621 HA ARG 80 HA ARG 80 10.033 9.206 -6.640 622 HB2 ARG 80 2HB ARG 80 12.167 10.339 -6.394 623 HB3 ARG 80 1HB ARG 80 11.355 11.890 -6.160 624 HG2 ARG 80 2HG ARG 80 10.360 11.123 -4.085 625 HG3 ARG 80 1HG ARG 80 10.976 9.494 -4.348 626 HD2 ARG 80 2HD ARG 80 13.287 10.357 -4.247 627 HD3 ARG 80 1HD ARG 80 12.654 11.972 -3.944 628 HE ARG 80 HE ARG 80 11.634 10.069 -2.019 629 HH11 ARG 80 1HH1 ARG 80 12.446 10.231 0.085 630 HH12 ARG 80 2HH1 ARG 80 13.901 11.124 0.371 631 HH21 ARG 80 1HH2 ARG 80 14.342 11.985 -2.959 632 HH22 ARG 80 2HH2 ARG 80 14.976 12.117 -1.352 633 H LEU 81 H LEU 81 8.877 9.456 -4.644 634 HA LEU 81 HA LEU 81 7.189 11.777 -4.195 635 HB2 LEU 81 2HB LEU 81 5.045 10.535 -4.457 636 HB3 LEU 81 1HB LEU 81 5.898 10.755 -5.985 637 HG LEU 81 HG LEU 81 6.965 8.393 -5.058 638 HD11 LEU 81 1HD1 LEU 81 5.341 8.342 -3.227 639 HD12 LEU 81 2HD1 LEU 81 5.016 7.041 -4.374 640 HD13 LEU 81 3HD1 LEU 81 4.019 8.495 -4.382 641 HD21 LEU 81 1HD2 LEU 81 5.586 7.368 -6.810 642 HD22 LEU 81 2HD2 LEU 81 6.178 8.939 -7.348 643 HD23 LEU 81 3HD2 LEU 81 4.510 8.765 -6.799 644 H ALA 82 H ALA 82 6.453 11.792 -2.081 645 HA ALA 82 HA ALA 82 7.196 9.417 -0.420 646 HB1 ALA 82 1HB ALA 82 8.237 11.656 0.143 647 HB2 ALA 82 2HB ALA 82 7.314 10.941 1.464 648 HB3 ALA 82 3HB ALA 82 6.617 12.249 0.509 649 H MET 83 H MET 83 5.553 8.621 1.107 650 HA MET 83 HA MET 83 2.891 9.869 0.804 651 HB2 MET 83 2HB MET 83 2.137 7.278 0.601 652 HB3 MET 83 1HB MET 83 2.397 8.323 -0.795 653 HG2 MET 83 2HG MET 83 4.727 7.537 -0.962 654 HG3 MET 83 1HG MET 83 4.483 6.503 0.448 655 HE1 MET 83 1HE MET 83 1.408 5.230 -0.121 656 HE2 MET 83 2HE MET 83 2.900 4.856 0.738 657 HE3 MET 83 3HE MET 83 2.293 3.742 -0.485 658 H THR 84 H THR 84 1.420 9.420 2.474 659 HA THR 84 HA THR 84 2.622 8.052 4.850 660 HB THR 84 HB THR 84 0.759 10.404 4.574 661 HG1 THR 84 1HG THR 84 3.110 9.759 6.000 662 HG21 THR 84 1HG2 THR 84 0.411 10.139 7.096 663 HG22 THR 84 2HG2 THR 84 0.959 8.475 6.892 664 HG23 THR 84 3HG2 THR 84 -0.496 9.033 6.066 665 H TRP 85 H TRP 85 0.992 6.809 6.184 666 HA TRP 85 HA TRP 85 -1.106 5.662 4.384 667 HB2 TRP 85 2HB TRP 85 0.683 4.498 6.465 668 HB3 TRP 85 1HB TRP 85 -0.934 3.807 6.305 669 HD1 TRP 85 HD TRP 85 1.023 5.211 3.332 670 HE1 TRP 85 1HE TRP 85 1.518 3.288 1.688 671 HE3 TRP 85 3HE TRP 85 -0.647 1.248 6.085 672 HZ2 TRP 85 2HZ TRP 85 1.241 0.443 1.559 673 HZ3 TRP 85 3HZ TRP 85 -0.520 -1.054 5.179 674 HH2 TRP 85 HH TRP 85 0.421 -1.462 2.922 675 H ARG 86 H ARG 86 -3.226 5.945 4.957 676 HA ARG 86 HA ARG 86 -3.773 6.879 7.756 677 HB2 ARG 86 2HB ARG 86 -4.284 8.527 5.936 678 HB3 ARG 86 1HB ARG 86 -5.441 7.376 5.274 679 HG2 ARG 86 2HG ARG 86 -6.669 7.399 7.430 680 HG3 ARG 86 1HG ARG 86 -5.530 8.595 8.049 681 HD2 ARG 86 2HD ARG 86 -6.161 10.099 6.144 682 HD3 ARG 86 1HD ARG 86 -7.400 8.930 5.687 683 HE ARG 86 HE ARG 86 -7.674 9.687 8.461 684 HH11 ARG 86 1HH1 ARG 86 -9.401 11.054 8.977 685 HH12 ARG 86 2HH1 ARG 86 -10.193 11.940 7.717 686 HH21 ARG 86 1HH2 ARG 86 -8.174 10.677 5.197 687 HH22 ARG 86 2HH2 ARG 86 -9.498 11.727 5.577 688 H ILE 87 H ILE 87 -4.306 4.951 8.772 689 HA ILE 87 HA ILE 87 -6.719 3.570 7.717 690 HB ILE 87 HB ILE 87 -4.644 2.287 7.079 691 HG12 ILE 87 2HG1 ILE 87 -6.120 0.684 9.144 692 HG13 ILE 87 1HG1 ILE 87 -7.013 1.324 7.764 693 HG21 ILE 87 1HG2 ILE 87 -4.391 1.585 9.992 694 HG22 ILE 87 2HG2 ILE 87 -3.556 3.003 9.355 695 HG23 ILE 87 3HG2 ILE 87 -3.205 1.404 8.700 696 HD11 ILE 87 1HD1 ILE 87 -4.429 -0.184 7.392 697 HD12 ILE 87 2HD1 ILE 87 -5.697 0.128 6.212 698 HD13 ILE 87 3HD1 ILE 87 -5.974 -1.026 7.512 699 H ASP 88 H ASP 88 -7.984 2.543 9.396 700 HA ASP 88 HA ASP 88 -7.492 3.746 12.061 701 HB2 ASP 88 2HB ASP 88 -9.886 2.229 11.021 702 HB3 ASP 88 1HB ASP 88 -9.789 3.051 12.574 703 H GLY 89 H GLY 89 -7.729 2.377 13.983 704 HA2 GLY 89 2HA GLY 89 -6.130 0.009 13.854 705 HA3 GLY 89 1HA GLY 89 -7.084 0.510 15.251 706 H HIS 90 H HIS 90 -9.651 0.476 14.046 707 HA HIS 90 HA HIS 90 -9.988 -2.465 13.621 708 HB2 HIS 90 2HB HIS 90 -11.334 -0.542 15.314 709 HB3 HIS 90 1HB HIS 90 -12.490 -1.291 14.218 710 HD1 HIS 90 1HD HIS 90 -11.287 -1.834 17.452 711 HD2 HIS 90 2HD HIS 90 -11.696 -4.341 14.144 712 HE1 HIS 90 1HE HIS 90 -11.307 -4.207 18.348 713 HE2 HIS 90 2HE HIS 90 -11.556 -5.741 16.343 714 H TRP 91 H TRP 91 -9.353 -0.512 11.501 715 HA TRP 91 HA TRP 91 -10.098 0.043 9.342 716 HB2 TRP 91 2HB TRP 91 -12.004 -2.252 9.928 717 HB3 TRP 91 1HB TRP 91 -11.807 -1.497 8.353 718 HD1 TRP 91 HD TRP 91 -9.515 -1.885 7.069 719 HE1 TRP 91 1HE TRP 91 -7.734 -3.729 7.282 720 HE3 TRP 91 3HE TRP 91 -10.761 -3.806 11.624 721 HZ2 TRP 91 2HZ TRP 91 -6.944 -5.771 9.152 722 HZ3 TRP 91 3HZ TRP 91 -9.496 -5.693 12.595 723 HH2 TRP 91 HH TRP 91 -7.585 -6.675 11.366 724 H GLN 92 H GLN 92 -11.339 1.217 11.821 725 HA GLN 92 HA GLN 92 -13.165 2.998 10.680 726 HB2 GLN 92 2HB GLN 92 -15.296 2.041 11.854 727 HB3 GLN 92 1HB GLN 92 -14.843 1.432 10.263 728 HG2 GLN 92 2HG GLN 92 -14.074 -0.578 11.097 729 HG3 GLN 92 1HG GLN 92 -13.728 0.082 12.699 730 HE21 GLN 92 1HE2 GLN 92 -15.234 -2.304 12.482 731 HE22 GLN 92 2HE2 GLN 92 -16.845 -1.994 12.916 732 H SER 93 H SER 93 -11.221 2.138 13.012 733 HA SER 93 HA SER 93 -12.455 2.685 15.490 734 HB2 SER 93 2HB SER 93 -10.052 1.907 15.016 735 HB3 SER 93 1HB SER 93 -9.669 3.613 14.787 736 HG SER 93 HG SER 93 -10.736 2.347 17.095 737 H VAL 94 H VAL 94 -10.667 5.032 13.434 738 HA VAL 94 HA VAL 94 -12.573 7.120 14.315 739 HB VAL 94 HB VAL 94 -10.509 8.636 14.729 740 HG11 VAL 94 1HG1 VAL 94 -11.023 6.374 16.681 741 HG12 VAL 94 2HG1 VAL 94 -12.094 7.759 16.474 742 HG13 VAL 94 3HG1 VAL 94 -10.450 7.997 17.066 743 HG21 VAL 94 1HG2 VAL 94 -8.437 7.695 14.874 744 HG22 VAL 94 2HG2 VAL 94 -9.140 6.430 13.867 745 HG23 VAL 94 3HG2 VAL 94 -9.056 6.218 15.616 746 HA PRO 95 HA PRO 95 -12.118 8.434 10.116 747 HB2 PRO 95 2HB PRO 95 -12.383 11.176 10.417 748 HB3 PRO 95 1HB PRO 95 -13.737 10.033 10.374 749 HG2 PRO 95 2HG PRO 95 -12.429 11.333 12.701 750 HG3 PRO 95 1HG PRO 95 -14.135 10.932 12.438 751 HD2 PRO 95 2HD PRO 95 -12.520 9.449 14.054 752 HD3 PRO 95 1HD PRO 95 -13.871 8.739 13.141 753 H ASP 96 H ASP 96 -10.231 10.237 12.521 754 HA ASP 96 HA ASP 96 -8.129 10.696 10.446 755 HB2 ASP 96 2HB ASP 96 -8.657 12.102 13.072 756 HB3 ASP 96 1HB ASP 96 -7.268 12.428 12.034 757 H ASP 97 H ASP 97 -5.970 10.060 10.937 758 HA ASP 97 HA ASP 97 -5.785 8.095 13.166 759 HB2 ASP 97 2HB ASP 97 -4.175 8.452 10.630 760 HB3 ASP 97 1HB ASP 97 -3.771 7.296 11.898 761 H ASP 98 H ASP 98 -4.772 8.828 14.947 762 HA ASP 98 HA ASP 98 -2.922 11.116 14.772 763 HB2 ASP 98 2HB ASP 98 -4.046 9.549 17.100 764 HB3 ASP 98 1HB ASP 98 -2.940 10.911 17.274 765 H ARG 99 H ARG 99 -2.817 7.772 14.625 766 HA ARG 99 HA ARG 99 0.001 7.680 15.579 767 HB2 ARG 99 2HB ARG 99 -0.532 5.142 15.654 768 HB3 ARG 99 1HB ARG 99 -1.209 6.165 16.922 769 HG2 ARG 99 2HG ARG 99 -3.325 6.331 15.617 770 HG3 ARG 99 1HG ARG 99 -2.642 5.237 14.412 771 HD2 ARG 99 2HD ARG 99 -2.350 3.521 16.203 772 HD3 ARG 99 1HD ARG 99 -3.151 4.609 17.334 773 HE ARG 99 HE ARG 99 -4.692 4.020 14.904 774 HH11 ARG 99 1HH1 ARG 99 -6.635 2.927 15.270 775 HH12 ARG 99 2HH1 ARG 99 -6.935 2.216 16.821 776 HH21 ARG 99 1HH2 ARG 99 -3.902 3.225 18.166 777 HH22 ARG 99 2HH2 ARG 99 -5.388 2.385 18.460 778 H ALA 100 H ALA 100 -0.789 8.571 12.927 779 HA ALA 100 HA ALA 100 -0.265 6.293 11.140 780 HB1 ALA 100 1HB ALA 100 -0.575 7.914 9.333 781 HB2 ALA 100 2HB ALA 100 -0.564 9.241 10.495 782 HB3 ALA 100 3HB ALA 100 -1.885 8.072 10.505 783 H SER 101 H SER 101 1.601 6.088 9.848 784 HA SER 101 HA SER 101 3.959 7.654 10.807 785 HB2 SER 101 2HB SER 101 3.820 4.892 9.566 786 HB3 SER 101 1HB SER 101 5.305 5.713 10.042 787 HG SER 101 HG SER 101 3.901 5.902 12.143 788 H GLU 102 H GLU 102 5.724 7.812 9.037 789 HA GLU 102 HA GLU 102 4.380 8.591 6.486 790 HB2 GLU 102 2HB GLU 102 7.023 9.510 7.655 791 HB3 GLU 102 1HB GLU 102 6.316 10.087 6.145 792 HG2 GLU 102 2HG GLU 102 4.328 10.885 7.407 793 HG3 GLU 102 1HG GLU 102 5.099 10.372 8.909 794 H ILE 103 H ILE 103 5.157 7.801 4.537 795 HA ILE 103 HA ILE 103 7.339 5.756 4.713 796 HB ILE 103 HB ILE 103 4.941 5.765 2.856 797 HG12 ILE 103 2HG1 ILE 103 5.515 3.986 5.246 798 HG13 ILE 103 1HG1 ILE 103 4.394 5.350 5.272 799 HG21 ILE 103 1HG2 ILE 103 5.906 4.019 1.786 800 HG22 ILE 103 2HG2 ILE 103 6.400 3.265 3.301 801 HG23 ILE 103 3HG2 ILE 103 7.406 4.514 2.568 802 HD11 ILE 103 1HD1 ILE 103 3.366 4.150 3.155 803 HD12 ILE 103 2HD1 ILE 103 2.945 3.598 4.777 804 HD13 ILE 103 3HD1 ILE 103 4.155 2.727 3.835 805 H GLU 104 H GLU 104 8.938 5.883 3.152 806 HA GLU 104 HA GLU 104 8.694 8.142 1.199 807 HB2 GLU 104 2HB GLU 104 11.182 6.869 2.388 808 HB3 GLU 104 1HB GLU 104 11.172 8.185 1.212 809 HG2 GLU 104 2HG GLU 104 9.873 9.573 2.820 810 HG3 GLU 104 1HG GLU 104 9.992 8.272 4.004 811 H VAL 105 H VAL 105 8.425 7.453 -0.870 812 HA VAL 105 HA VAL 105 9.693 4.873 -1.656 813 HB VAL 105 HB VAL 105 6.988 5.827 -2.612 814 HG11 VAL 105 1HG1 VAL 105 8.402 4.268 -4.049 815 HG12 VAL 105 2HG1 VAL 105 6.812 3.652 -3.602 816 HG13 VAL 105 3HG1 VAL 105 8.249 3.079 -2.756 817 HG21 VAL 105 1HG2 VAL 105 6.417 3.645 -1.150 818 HG22 VAL 105 2HG2 VAL 105 6.416 5.265 -0.453 819 HG23 VAL 105 3HG2 VAL 105 7.818 4.217 -0.244 820 H ASP 106 H ASP 106 10.812 4.963 -3.571 821 HA ASP 106 HA ASP 106 10.493 7.453 -5.207 822 HB2 ASP 106 2HB ASP 106 13.023 5.847 -4.765 823 HB3 ASP 106 1HB ASP 106 12.878 7.339 -5.697 824 H PHE 107 H PHE 107 10.136 7.138 -7.364 825 HA PHE 107 HA PHE 107 10.311 4.338 -8.382 826 HB2 PHE 107 2HB PHE 107 8.493 6.631 -9.171 827 HB3 PHE 107 1HB PHE 107 8.549 5.073 -9.991 828 HD1 PHE 107 1HD PHE 107 7.138 3.356 -9.267 829 HD2 PHE 107 2HD PHE 107 8.184 6.514 -6.554 830 HE1 PHE 107 1HE PHE 107 5.609 2.400 -7.565 831 HE2 PHE 107 2HE PHE 107 6.663 5.560 -4.853 832 HZ PHE 107 HZ PHE 107 5.366 3.504 -5.358 833 H VAL 108 H VAL 108 11.586 3.991 -10.160 834 HA VAL 108 HA VAL 108 12.657 6.393 -11.581 835 HB VAL 108 HB VAL 108 14.300 3.929 -11.534 836 HG11 VAL 108 1HG1 VAL 108 16.099 5.602 -11.323 837 HG12 VAL 108 2HG1 VAL 108 14.894 6.874 -11.120 838 HG13 VAL 108 3HG1 VAL 108 15.015 6.010 -12.653 839 HG21 VAL 108 1HG2 VAL 108 15.240 4.801 -9.266 840 HG22 VAL 108 2HG2 VAL 108 13.773 3.822 -9.239 841 HG23 VAL 108 3HG2 VAL 108 13.666 5.577 -9.091 842 HA PRO 109 HA PRO 109 10.821 4.049 -14.976 843 HB2 PRO 109 2HB PRO 109 11.382 5.771 -16.998 844 HB3 PRO 109 1HB PRO 109 10.113 6.099 -15.800 845 HG2 PRO 109 2HG PRO 109 12.880 7.174 -15.965 846 HG3 PRO 109 1HG PRO 109 11.374 7.997 -15.532 847 HD2 PRO 109 2HD PRO 109 13.208 7.115 -13.677 848 HD3 PRO 109 1HD PRO 109 11.475 7.310 -13.331 849 H ASN 110 H ASN 110 11.851 2.312 -15.738 850 HA ASN 110 HA ASN 110 14.535 2.635 -16.975 851 HB2 ASN 110 2HB ASN 110 14.421 1.296 -14.807 852 HB3 ASN 110 1HB ASN 110 13.488 0.105 -15.715 853 HD21 ASN 110 1HD2 ASN 110 15.766 -0.987 -14.850 854 HD22 ASN 110 2HD2 ASN 110 16.967 -1.042 -16.047 855 H GLY 111 H GLY 111 14.490 2.271 -19.138 856 HA2 GLY 111 2HA GLY 111 13.814 1.418 -21.216 857 HA3 GLY 111 1HA GLY 111 13.275 -0.010 -20.332 858 H SER 112 H SER 112 11.714 0.640 -22.396 859 HA SER 112 HA SER 112 9.674 2.573 -21.951 860 HB2 SER 112 2HB SER 112 9.425 -0.054 -23.421 861 HB3 SER 112 1HB SER 112 8.391 1.355 -23.622 862 HG SER 112 HG SER 112 9.821 2.084 -24.964 863 H GLY 113 H GLY 113 10.027 -0.758 -20.815 864 HA2 GLY 113 2HA GLY 113 7.622 -0.304 -19.098 865 HA3 GLY 113 1HA GLY 113 7.818 -1.826 -19.972 866 H GLY 114 H GLY 114 10.192 0.137 -18.131 867 HA2 GLY 114 2HA GLY 114 10.478 -2.150 -16.253 868 HA3 GLY 114 1HA GLY 114 11.916 -1.470 -17.013 869 H THR 115 H THR 115 10.482 -1.440 -14.144 870 HA THR 115 HA THR 115 11.341 1.360 -13.633 871 HB THR 115 HB THR 115 8.626 0.203 -13.040 872 HG1 THR 115 1HG THR 115 8.721 2.797 -13.619 873 HG21 THR 115 1HG2 THR 115 9.280 0.975 -10.889 874 HG22 THR 115 2HG2 THR 115 8.340 2.292 -11.587 875 HG23 THR 115 3HG2 THR 115 10.102 2.382 -11.560 876 H ARG 116 H ARG 116 12.334 1.639 -11.673 877 HA ARG 116 HA ARG 116 12.543 -0.778 -9.924 878 HB2 ARG 116 2HB ARG 116 14.686 0.074 -10.898 879 HB3 ARG 116 1HB ARG 116 14.397 1.624 -10.100 880 HG2 ARG 116 2HG ARG 116 14.324 0.428 -7.905 881 HG3 ARG 116 1HG ARG 116 14.752 -1.064 -8.742 882 HD2 ARG 116 2HD ARG 116 16.416 1.471 -8.728 883 HD3 ARG 116 1HD ARG 116 16.749 0.029 -7.769 884 HE ARG 116 HE ARG 116 16.654 -0.962 -10.330 885 HH11 ARG 116 1HH1 ARG 116 18.437 -1.026 -11.718 886 HH12 ARG 116 2HH1 ARG 116 19.721 0.118 -11.509 887 HH21 ARG 116 1HH2 ARG 116 18.233 1.692 -8.800 888 HH22 ARG 116 2HH2 ARG 116 19.606 1.656 -9.857 889 H VAL 117 H VAL 117 11.587 -0.598 -7.923 890 HA VAL 117 HA VAL 117 10.953 2.166 -6.958 891 HB VAL 117 HB VAL 117 9.262 -0.321 -6.634 892 HG11 VAL 117 1HG1 VAL 117 9.082 1.253 -4.749 893 HG12 VAL 117 2HG1 VAL 117 7.605 1.269 -5.713 894 HG13 VAL 117 3HG1 VAL 117 8.779 2.575 -5.878 895 HG21 VAL 117 1HG2 VAL 117 7.732 1.407 -8.026 896 HG22 VAL 117 2HG2 VAL 117 8.772 0.218 -8.807 897 HG23 VAL 117 3HG2 VAL 117 9.320 1.885 -8.626 898 H GLU 118 H GLU 118 11.431 2.608 -4.872 899 HA GLU 118 HA GLU 118 12.413 0.352 -3.164 900 HB2 GLU 118 2HB GLU 118 13.279 3.268 -3.116 901 HB3 GLU 118 1HB GLU 118 13.914 1.983 -2.088 902 HG2 GLU 118 2HG GLU 118 14.715 0.788 -4.110 903 HG3 GLU 118 1HG GLU 118 14.131 2.117 -5.111 904 H LEU 119 H LEU 119 10.741 -0.025 -1.731 905 HA LEU 119 HA LEU 119 9.280 2.356 -0.678 906 HB2 LEU 119 2HB LEU 119 7.969 0.568 -1.889 907 HB3 LEU 119 1HB LEU 119 8.401 -0.536 -0.590 908 HG LEU 119 HG LEU 119 7.258 2.063 0.274 909 HD11 LEU 119 1HD1 LEU 119 4.962 1.388 -0.229 910 HD12 LEU 119 2HD1 LEU 119 5.542 -0.081 -1.015 911 HD13 LEU 119 3HD1 LEU 119 5.886 1.496 -1.728 912 HD21 LEU 119 1HD2 LEU 119 7.893 -0.152 1.598 913 HD22 LEU 119 2HD2 LEU 119 6.291 -0.663 1.068 914 HD23 LEU 119 3HD2 LEU 119 6.472 0.786 2.055 915 H ALA 120 H ALA 120 9.609 2.891 1.420 916 HA ALA 120 HA ALA 120 10.559 0.753 3.278 917 HB1 ALA 120 1HB ALA 120 12.408 1.925 3.895 918 HB2 ALA 120 2HB ALA 120 11.566 3.473 3.817 919 HB3 ALA 120 3HB ALA 120 12.202 2.739 2.344 920 H HIS 121 H HIS 121 9.404 0.701 5.153 921 HA HIS 121 HA HIS 121 7.624 3.032 5.756 922 HB2 HIS 121 2HB HIS 121 5.961 1.578 6.427 923 HB3 HIS 121 1HB HIS 121 6.761 0.535 5.253 924 HD1 HIS 121 1HD HIS 121 5.582 0.446 8.606 925 HD2 HIS 121 2HD HIS 121 9.010 -0.997 6.721 926 HE1 HIS 121 1HE HIS 121 6.536 -1.346 10.131 927 HE2 HIS 121 2HE HIS 121 8.622 -2.229 8.987 928 H VAL 122 H VAL 122 8.010 4.054 7.704 929 HA VAL 122 HA VAL 122 9.706 2.592 9.682 930 HB VAL 122 HB VAL 122 10.874 4.773 10.113 931 HG11 VAL 122 1HG1 VAL 122 11.128 2.965 7.860 932 HG12 VAL 122 2HG1 VAL 122 12.395 3.721 8.827 933 HG13 VAL 122 3HG1 VAL 122 11.719 4.573 7.437 934 HG21 VAL 122 1HG2 VAL 122 10.235 5.857 7.479 935 HG22 VAL 122 2HG2 VAL 122 10.236 6.665 9.047 936 HG23 VAL 122 3HG2 VAL 122 8.807 5.779 8.513 937 H LYS 123 H LYS 123 9.519 3.266 11.839 938 HA LYS 123 HA LYS 123 8.332 3.890 13.747 939 HB2 LYS 123 2HB LYS 123 7.235 6.168 12.103 940 HB3 LYS 123 1HB LYS 123 7.613 6.141 13.827 941 HG2 LYS 123 2HG LYS 123 9.563 6.100 11.511 942 HG3 LYS 123 1HG LYS 123 9.401 7.336 12.760 943 HD2 LYS 123 2HD LYS 123 9.994 5.534 14.457 944 HD3 LYS 123 1HD LYS 123 10.416 4.500 13.088 945 HE2 LYS 123 2HE LYS 123 12.454 5.552 13.765 946 HE3 LYS 123 1HE LYS 123 11.939 6.383 12.297 947 HZ1 LYS 123 1HZ LYS 123 10.688 7.751 14.280 948 HZ2 LYS 123 2HZ LYS 123 12.119 8.231 13.499 949 HZ3 LYS 123 3HZ LYS 123 12.194 7.387 14.972 950 H LEU 124 H LEU 124 7.027 2.123 11.760 951 HA LEU 124 HA LEU 124 4.223 2.851 11.659 952 HB2 LEU 124 2HB LEU 124 5.632 1.094 10.261 953 HB3 LEU 124 1HB LEU 124 5.119 0.006 11.550 954 HG LEU 124 HG LEU 124 2.760 1.136 11.093 955 HD11 LEU 124 1HD1 LEU 124 2.443 2.068 9.012 956 HD12 LEU 124 2HD1 LEU 124 3.733 1.117 8.275 957 HD13 LEU 124 3HD1 LEU 124 4.128 2.527 9.259 958 HD21 LEU 124 1HD2 LEU 124 2.946 -1.200 10.866 959 HD22 LEU 124 2HD2 LEU 124 4.144 -1.068 9.580 960 HD23 LEU 124 3HD2 LEU 124 2.456 -0.675 9.256 961 H HIS 125 H HIS 125 6.279 0.866 13.732 962 HA HIS 125 HA HIS 125 4.447 -0.356 15.431 963 HB2 HIS 125 2HB HIS 125 6.894 -0.611 15.648 964 HB3 HIS 125 1HB HIS 125 6.997 1.036 16.263 965 HD1 HIS 125 1HD HIS 125 4.908 -2.053 17.120 966 HD2 HIS 125 2HD HIS 125 6.993 1.022 19.018 967 HE1 HIS 125 1HE HIS 125 4.676 -2.458 19.612 968 HE2 HIS 125 2HE HIS 125 5.941 -0.594 20.775 969 H ARG 126 H ARG 126 4.816 2.947 14.854 970 HA ARG 126 HA ARG 126 4.259 4.232 17.247 971 HB2 ARG 126 2HB ARG 126 4.506 5.354 15.027 972 HB3 ARG 126 1HB ARG 126 2.877 4.821 14.626 973 HG2 ARG 126 2HG ARG 126 2.000 6.039 16.598 974 HG3 ARG 126 1HG ARG 126 3.632 6.609 16.953 975 HD2 ARG 126 2HD ARG 126 3.704 7.667 14.686 976 HD3 ARG 126 1HD ARG 126 2.021 7.198 14.453 977 HE ARG 126 HE ARG 126 1.384 8.941 15.921 978 HH11 ARG 126 1HH1 ARG 126 1.852 10.729 17.224 979 HH12 ARG 126 2HH1 ARG 126 3.483 11.009 17.733 980 HH21 ARG 126 1HH2 ARG 126 4.753 8.230 16.094 981 HH22 ARG 126 2HH2 ARG 126 5.126 9.595 17.094 982 H HIS 127 H HIS 127 2.046 2.251 15.303 983 HA HIS 127 HA HIS 127 -0.261 3.005 16.917 984 HB2 HIS 127 2HB HIS 127 -1.152 0.754 15.814 985 HB3 HIS 127 1HB HIS 127 -1.043 2.245 14.888 986 HD1 HIS 127 1HD HIS 127 1.906 0.032 15.785 987 HD2 HIS 127 2HD HIS 127 -0.344 1.116 12.448 988 HE1 HIS 127 1HE HIS 127 3.076 -0.953 13.764 989 HE2 HIS 127 2HE HIS 127 1.725 -0.291 11.734 990 H GLY 128 H GLY 128 2.315 0.733 17.249 991 HA2 GLY 128 2HA GLY 128 2.806 -0.378 19.316 992 HA3 GLY 128 1HA GLY 128 1.128 -0.149 19.805 993 H ASP 129 H ASP 129 1.412 -2.485 20.410 994 HA ASP 129 HA ASP 129 1.688 -4.505 18.369 995 HB2 ASP 129 2HB ASP 129 2.125 -4.840 20.826 996 HB3 ASP 129 1HB ASP 129 0.380 -4.785 21.087 997 H GLY 130 H GLY 130 0.073 -5.765 17.378 998 HA2 GLY 130 2HA GLY 130 -2.240 -6.440 17.030 999 HA3 GLY 130 1HA GLY 130 -2.758 -4.940 17.807 1000 H ALA 131 H ALA 131 -0.379 -3.807 16.031 1001 HA ALA 131 HA ALA 131 -2.032 -2.619 14.040 1002 HB1 ALA 131 1HB ALA 131 0.068 -1.812 13.084 1003 HB2 ALA 131 2HB ALA 131 0.977 -2.963 14.063 1004 HB3 ALA 131 3HB ALA 131 0.094 -1.648 14.838 1005 H TRP 132 H TRP 132 0.175 -5.428 13.931 1006 HA TRP 132 HA TRP 132 0.118 -5.854 11.151 1007 HB2 TRP 132 2HB TRP 132 1.499 -7.184 12.772 1008 HB3 TRP 132 1HB TRP 132 0.034 -8.056 13.234 1009 HD1 TRP 132 HD TRP 132 -1.066 -9.658 11.426 1010 HE1 TRP 132 1HE TRP 132 -0.122 -10.759 9.297 1011 HE3 TRP 132 3HE TRP 132 3.193 -6.876 10.788 1012 HZ2 TRP 132 2HZ TRP 132 2.123 -10.502 7.561 1013 HZ3 TRP 132 3HZ TRP 132 4.707 -7.340 8.886 1014 HH2 TRP 132 HH TRP 132 4.182 -9.147 7.274 1015 H ASN 133 H ASN 133 -2.314 -6.545 13.605 1016 HA ASN 133 HA ASN 133 -4.040 -8.224 12.104 1017 HB2 ASN 133 2HB ASN 133 -4.266 -7.394 14.554 1018 HB3 ASN 133 1HB ASN 133 -5.053 -5.979 13.856 1019 HD21 ASN 133 1HD2 ASN 133 -7.028 -6.840 15.070 1020 HD22 ASN 133 2HD2 ASN 133 -7.970 -8.033 14.314 1021 H ILE 134 H ILE 134 -3.697 -4.699 12.192 1022 HA ILE 134 HA ILE 134 -5.787 -4.051 10.367 1023 HB ILE 134 HB ILE 134 -3.108 -2.694 10.750 1024 HG12 ILE 134 2HG1 ILE 134 -5.778 -2.132 12.077 1025 HG13 ILE 134 1HG1 ILE 134 -4.442 -2.989 12.852 1026 HG21 ILE 134 1HG2 ILE 134 -4.320 -2.019 8.718 1027 HG22 ILE 134 2HG2 ILE 134 -4.270 -0.712 9.900 1028 HG23 ILE 134 3HG2 ILE 134 -5.743 -1.660 9.693 1029 HD11 ILE 134 1HD1 ILE 134 -4.021 -0.827 13.581 1030 HD12 ILE 134 2HD1 ILE 134 -4.659 -0.095 12.108 1031 HD13 ILE 134 3HD1 ILE 134 -3.066 -0.852 12.098 1032 H HIS 135 H HIS 135 -2.356 -4.800 9.936 1033 HA HIS 135 HA HIS 135 -2.284 -4.616 7.084 1034 HB2 HIS 135 2HB HIS 135 -0.203 -4.643 8.311 1035 HB3 HIS 135 1HB HIS 135 -0.604 -6.198 9.046 1036 HD1 HIS 135 1HD HIS 135 -1.609 -6.035 5.565 1037 HD2 HIS 135 2HD HIS 135 1.847 -7.096 7.629 1038 HE1 HIS 135 1HE HIS 135 -0.196 -7.332 3.925 1039 HE2 HIS 135 2HE HIS 135 1.930 -7.989 5.168 1040 H LYS 136 H LYS 136 -3.188 -7.207 9.305 1041 HA LYS 136 HA LYS 136 -3.173 -9.393 7.536 1042 HB2 LYS 136 2HB LYS 136 -3.754 -9.489 9.986 1043 HB3 LYS 136 1HB LYS 136 -5.330 -8.829 9.576 1044 HG2 LYS 136 2HG LYS 136 -5.734 -10.732 8.072 1045 HG3 LYS 136 1HG LYS 136 -4.171 -11.406 8.518 1046 HD2 LYS 136 2HD LYS 136 -4.935 -11.430 10.910 1047 HD3 LYS 136 1HD LYS 136 -6.534 -10.936 10.353 1048 HE2 LYS 136 2HE LYS 136 -7.008 -13.112 10.016 1049 HE3 LYS 136 1HE LYS 136 -5.819 -13.107 8.715 1050 HZ1 LYS 136 1HZ LYS 136 -4.187 -13.944 10.078 1051 HZ2 LYS 136 2HZ LYS 136 -5.560 -14.750 10.673 1052 HZ3 LYS 136 3HZ LYS 136 -4.933 -13.407 11.503 1053 H ALA 137 H ALA 137 -5.504 -6.754 7.876 1054 HA ALA 137 HA ALA 137 -7.451 -7.841 6.048 1055 HB1 ALA 137 1HB ALA 137 -7.954 -5.296 5.714 1056 HB2 ALA 137 2HB ALA 137 -6.784 -5.073 7.012 1057 HB3 ALA 137 3HB ALA 137 -8.249 -6.015 7.296 1058 H LEU 138 H LEU 138 -4.643 -5.686 5.632 1059 HA LEU 138 HA LEU 138 -4.983 -5.373 2.788 1060 HB2 LEU 138 2HB LEU 138 -2.421 -5.210 4.401 1061 HB3 LEU 138 1HB LEU 138 -2.691 -4.535 2.800 1062 HG LEU 138 HG LEU 138 -4.118 -3.727 5.346 1063 HD11 LEU 138 1HD1 LEU 138 -2.814 -1.615 3.877 1064 HD12 LEU 138 2HD1 LEU 138 -1.660 -2.907 4.208 1065 HD13 LEU 138 3HD1 LEU 138 -2.532 -2.142 5.536 1066 HD21 LEU 138 1HD2 LEU 138 -4.590 -3.138 2.442 1067 HD22 LEU 138 2HD2 LEU 138 -4.896 -1.868 3.626 1068 HD23 LEU 138 3HD2 LEU 138 -5.764 -3.399 3.732 1069 H ASP 139 H ASP 139 -3.523 -7.826 4.816 1070 HA ASP 139 HA ASP 139 -2.765 -9.969 4.311 1071 HB2 ASP 139 2HB ASP 139 -4.588 -9.295 2.167 1072 HB3 ASP 139 1HB ASP 139 -3.283 -10.319 1.578 1073 H GLY 140 H GLY 140 -0.602 -9.971 4.366 1074 HA2 GLY 140 2HA GLY 140 0.863 -9.157 1.893 1075 HA3 GLY 140 1HA GLY 140 1.495 -8.798 3.501 1076 HA PRO 141 HA PRO 141 1.420 -13.711 2.758 1077 HB2 PRO 141 2HB PRO 141 2.056 -13.508 -0.145 1078 HB3 PRO 141 1HB PRO 141 1.033 -14.681 0.707 1079 HG2 PRO 141 2HG PRO 141 -0.013 -12.732 -0.773 1080 HG3 PRO 141 1HG PRO 141 -0.785 -13.287 0.722 1081 HD2 PRO 141 2HD PRO 141 0.743 -10.770 0.216 1082 HD3 PRO 141 1HD PRO 141 -0.615 -11.066 1.323 1083 H SER 142 H SER 142 3.374 -14.751 3.112 1084 HA SER 142 HA SER 142 5.811 -13.208 2.965 1085 HB2 SER 142 2HB SER 142 4.940 -15.589 4.235 1086 HB3 SER 142 1HB SER 142 6.328 -16.027 3.243 1087 HG SER 142 HG SER 142 6.172 -13.931 5.157 1088 HA PRO 143 HA PRO 143 6.836 -16.042 -0.720 1089 HB2 PRO 143 2HB PRO 143 4.954 -17.768 -1.661 1090 HB3 PRO 143 1HB PRO 143 6.036 -18.168 -0.313 1091 HG2 PRO 143 2HG PRO 143 3.172 -17.501 -0.289 1092 HG3 PRO 143 1HG PRO 143 4.123 -18.455 0.857 1093 HD2 PRO 143 2HD PRO 143 3.287 -15.747 1.159 1094 HD3 PRO 143 1HD PRO 143 4.376 -16.655 2.227 1095 H GLY 144 H GLY 144 3.299 -15.856 -1.270 1096 HA2 GLY 144 2HA GLY 144 3.667 -14.643 -3.887 1097 HA3 GLY 144 1HA GLY 144 2.122 -14.861 -3.056 1098 H GLU 145 H GLU 145 5.050 -13.134 -2.035 1099 HA GLU 145 HA GLU 145 3.862 -11.024 -0.711 1100 HB2 GLU 145 2HB GLU 145 6.280 -10.802 -2.503 1101 HB3 GLU 145 1HB GLU 145 5.849 -9.689 -1.216 1102 HG2 GLU 145 2HG GLU 145 5.947 -11.671 0.371 1103 HG3 GLU 145 1HG GLU 145 6.696 -12.569 -0.953 1104 H THR 146 H THR 146 3.979 -8.640 -1.536 1105 HA THR 146 HA THR 146 1.927 -8.209 -3.442 1106 HB THR 146 HB THR 146 4.136 -6.232 -2.937 1107 HG1 THR 146 1HG THR 146 3.671 -6.206 -0.916 1108 HG21 THR 146 1HG2 THR 146 1.240 -5.574 -2.845 1109 HG22 THR 146 2HG2 THR 146 1.925 -5.986 -4.417 1110 HG23 THR 146 3HG2 THR 146 2.588 -4.640 -3.492 1111 H LEU 147 H LEU 147 5.439 -8.128 -3.748 1112 HA LEU 147 HA LEU 147 5.661 -7.219 -6.401 1113 HB2 LEU 147 2HB LEU 147 7.459 -9.251 -5.077 1114 HB3 LEU 147 1HB LEU 147 7.891 -8.081 -6.327 1115 HG LEU 147 HG LEU 147 6.760 -6.506 -4.350 1116 HD11 LEU 147 1HD1 LEU 147 6.950 -8.653 -2.932 1117 HD12 LEU 147 2HD1 LEU 147 7.613 -7.168 -2.253 1118 HD13 LEU 147 3HD1 LEU 147 8.689 -8.365 -2.973 1119 HD21 LEU 147 1HD2 LEU 147 9.656 -7.211 -4.870 1120 HD22 LEU 147 2HD2 LEU 147 9.128 -5.817 -3.927 1121 HD23 LEU 147 3HD2 LEU 147 8.734 -5.922 -5.644 1122 H ALA 148 H ALA 148 5.054 -10.498 -5.198 1123 HA ALA 148 HA ALA 148 5.469 -11.770 -7.751 1124 HB1 ALA 148 1HB ALA 148 3.578 -13.215 -6.147 1125 HB2 ALA 148 2HB ALA 148 4.862 -12.587 -5.111 1126 HB3 ALA 148 3HB ALA 148 5.262 -13.612 -6.491 1127 H ARG 149 H ARG 149 2.468 -10.877 -6.033 1128 HA ARG 149 HA ARG 149 0.797 -11.711 -8.233 1129 HB2 ARG 149 2HB ARG 149 -0.883 -10.187 -6.831 1130 HB3 ARG 149 1HB ARG 149 -0.396 -11.790 -6.286 1131 HG2 ARG 149 2HG ARG 149 0.927 -10.966 -4.597 1132 HG3 ARG 149 1HG ARG 149 1.379 -9.528 -5.513 1133 HD2 ARG 149 2HD ARG 149 -0.559 -8.379 -4.937 1134 HD3 ARG 149 1HD ARG 149 -1.459 -9.858 -4.599 1135 HE ARG 149 HE ARG 149 0.545 -9.853 -2.685 1136 HH11 ARG 149 1HH1 ARG 149 0.297 -8.883 -0.660 1137 HH12 ARG 149 2HH1 ARG 149 -0.847 -7.595 -0.465 1138 HH21 ARG 149 1HH2 ARG 149 -1.877 -7.654 -3.775 1139 HH22 ARG 149 2HH2 ARG 149 -2.078 -6.900 -2.229 1140 H PHE 150 H PHE 150 1.489 -8.413 -6.975 1141 HA PHE 150 HA PHE 150 0.036 -7.124 -9.073 1142 HB2 PHE 150 2HB PHE 150 0.390 -5.309 -7.816 1143 HB3 PHE 150 1HB PHE 150 1.322 -6.331 -6.719 1144 HD1 PHE 150 1HD PHE 150 3.786 -6.818 -7.514 1145 HD2 PHE 150 2HD PHE 150 1.436 -3.470 -8.779 1146 HE1 PHE 150 1HE PHE 150 5.860 -5.600 -8.089 1147 HE2 PHE 150 2HE PHE 150 3.505 -2.241 -9.375 1148 HZ PHE 150 HZ PHE 150 5.711 -3.306 -9.037 1149 H ALA 151 H ALA 151 3.466 -8.031 -8.837 1150 HA ALA 151 HA ALA 151 4.246 -6.508 -11.163 1151 HB1 ALA 151 1HB ALA 151 5.624 -9.013 -10.206 1152 HB2 ALA 151 2HB ALA 151 5.773 -7.482 -9.343 1153 HB3 ALA 151 3HB ALA 151 6.336 -7.613 -11.005 1154 H ASN 152 H ASN 152 3.309 -9.886 -10.675 1155 HA ASN 152 HA ASN 152 3.787 -10.811 -13.314 1156 HB2 ASN 152 2HB ASN 152 1.639 -11.657 -11.367 1157 HB3 ASN 152 1HB ASN 152 2.098 -12.558 -12.808 1158 HD21 ASN 152 1HD2 ASN 152 2.362 -13.716 -10.220 1159 HD22 ASN 152 2HD2 ASN 152 4.017 -13.894 -9.872 1160 H VAL 153 H VAL 153 0.866 -9.342 -11.922 1161 HA VAL 153 HA VAL 153 -0.685 -9.568 -14.332 1162 HB VAL 153 HB VAL 153 -2.156 -7.885 -13.209 1163 HG11 VAL 153 1HG1 VAL 153 -1.249 -10.469 -12.104 1164 HG12 VAL 153 2HG1 VAL 153 -2.887 -9.913 -12.457 1165 HG13 VAL 153 3HG1 VAL 153 -2.103 -9.445 -10.948 1166 HG21 VAL 153 1HG2 VAL 153 0.038 -7.995 -11.136 1167 HG22 VAL 153 2HG2 VAL 153 -1.528 -7.227 -10.894 1168 HG23 VAL 153 3HG2 VAL 153 -0.405 -6.587 -12.094 1169 H ILE 154 H ILE 154 1.389 -6.997 -13.030 1170 HA ILE 154 HA ILE 154 0.685 -5.031 -14.974 1171 HB ILE 154 HB ILE 154 3.176 -5.429 -13.332 1172 HG12 ILE 154 2HG1 ILE 154 0.969 -3.363 -13.165 1173 HG13 ILE 154 1HG1 ILE 154 1.024 -4.819 -12.179 1174 HG21 ILE 154 1HG2 ILE 154 4.102 -4.141 -14.976 1175 HG22 ILE 154 2HG2 ILE 154 3.307 -2.850 -14.078 1176 HG23 ILE 154 3HG2 ILE 154 2.542 -3.525 -15.514 1177 HD11 ILE 154 1HD1 ILE 154 1.986 -2.942 -10.938 1178 HD12 ILE 154 2HD1 ILE 154 3.126 -2.638 -12.251 1179 HD13 ILE 154 3HD1 ILE 154 3.240 -4.126 -11.311 1180 HBC 969 201 HBC PDM 155 5.070 -8.283 3.032 1181 HBD 969 201 HBD PDM 155 6.031 -9.734 2.660 1182 HBE 969 201 HBE PDM 155 4.565 -9.373 1.718 1183 HBA 969 201 HBA PDM 155 7.024 -7.573 1.786 1184 HBB 969 201 HBB PDM 155 6.739 -8.807 0.539 1185 HA0 969 201 0HA PDM 155 3.481 -8.141 0.821 1186 HAY 969 201 HAY PDM 155 3.359 -6.373 0.632 1187 HAZ 969 201 HAZ PDM 155 3.996 -7.065 2.141 1188 HBF 969 201 HBF PDM 155 6.179 -7.997 -1.140 1189 HAQ 969 201 HAQ PDM 155 5.139 -4.290 -4.547 1190 HAL 969 201 HAL PDM 155 6.925 -3.988 -7.510 1191 HAM 969 201 HAM PDM 155 8.937 -2.541 -7.548 1192 HAN 969 201 HAN PDM 155 10.051 -1.917 -5.425 1193 HAE 969 201 HAE PDM 155 10.390 -2.239 -0.646 1194 HAS 969 201 HAS PDM 155 10.701 -2.663 1.504 1195 HAT 969 201 HAT PDM 155 9.820 -3.968 2.335 1196 HAU 969 201 HAU PDM 155 9.183 -2.307 2.366 1197 HAV 969 201 HAV PDM 155 5.651 -5.585 2.714 Start of MODEL 10 1 H1 MET 1 1HT MET 1 4.636 -9.455 10.784 2 H2 MET 1 2HT MET 1 4.820 -10.517 9.470 3 H3 MET 1 3HT MET 1 6.047 -10.386 10.635 4 HA MET 1 HA MET 1 3.390 -11.650 10.888 5 HB2 MET 1 2HB MET 1 5.998 -12.587 10.412 6 HB3 MET 1 1HB MET 1 5.668 -12.969 12.102 7 HG2 MET 1 2HG MET 1 3.436 -13.918 11.328 8 HG3 MET 1 1HG MET 1 4.043 -13.769 9.679 9 HE1 MET 1 1HE MET 1 6.342 -14.565 8.981 10 HE2 MET 1 2HE MET 1 5.137 -15.767 8.527 11 HE3 MET 1 3HE MET 1 6.683 -16.288 9.192 12 HA PRO 2 HA PRO 2 5.253 -10.895 15.356 13 HB2 PRO 2 2HB PRO 2 6.732 -8.382 14.921 14 HB3 PRO 2 1HB PRO 2 7.223 -9.841 15.801 15 HG2 PRO 2 2HG PRO 2 8.274 -9.132 13.421 16 HG3 PRO 2 1HG PRO 2 8.123 -10.814 13.955 17 HD2 PRO 2 2HD PRO 2 6.494 -9.318 11.953 18 HD3 PRO 2 1HD PRO 2 6.914 -11.046 12.005 19 H GLU 3 H GLU 3 4.090 -9.656 16.867 20 HA GLU 3 HA GLU 3 1.945 -8.029 15.909 21 HB2 GLU 3 2HB GLU 3 3.157 -8.263 18.682 22 HB3 GLU 3 1HB GLU 3 1.627 -7.468 18.321 23 HG2 GLU 3 2HG GLU 3 0.767 -9.594 17.366 24 HG3 GLU 3 1HG GLU 3 2.282 -10.382 17.808 25 H GLU 4 H GLU 4 5.225 -7.321 16.865 26 HA GLU 4 HA GLU 4 4.718 -4.410 16.942 27 HB2 GLU 4 2HB GLU 4 6.293 -5.516 18.551 28 HB3 GLU 4 1HB GLU 4 7.334 -5.898 17.181 29 HG2 GLU 4 2HG GLU 4 7.457 -3.469 16.635 30 HG3 GLU 4 1HG GLU 4 6.509 -3.127 18.085 31 H ILE 5 H ILE 5 5.411 -2.993 15.338 32 HA ILE 5 HA ILE 5 6.552 -4.255 12.878 33 HB ILE 5 HB ILE 5 5.139 -1.704 12.543 34 HG12 ILE 5 2HG1 ILE 5 3.746 -2.790 14.310 35 HG13 ILE 5 1HG1 ILE 5 2.908 -2.583 12.781 36 HG21 ILE 5 1HG2 ILE 5 5.015 -4.411 11.221 37 HG22 ILE 5 2HG2 ILE 5 5.886 -2.990 10.645 38 HG23 ILE 5 3HG2 ILE 5 4.123 -2.994 10.674 39 HD11 ILE 5 1HD1 ILE 5 3.002 -4.930 14.127 40 HD12 ILE 5 2HD1 ILE 5 4.401 -5.108 13.068 41 HD13 ILE 5 3HD1 ILE 5 2.806 -4.807 12.380 42 HA PRO 6 HA PRO 6 9.568 -1.045 14.180 43 HB2 PRO 6 2HB PRO 6 11.815 -2.458 13.524 44 HB3 PRO 6 1HB PRO 6 10.978 -2.629 15.080 45 HG2 PRO 6 2HG PRO 6 11.011 -4.431 12.745 46 HG3 PRO 6 1HG PRO 6 10.798 -4.803 14.462 47 HD2 PRO 6 2HD PRO 6 8.749 -4.661 12.531 48 HD3 PRO 6 1HD PRO 6 8.524 -4.701 14.293 49 H ASP 7 H ASP 7 11.283 0.082 12.837 50 HA ASP 7 HA ASP 7 10.330 0.576 10.190 51 HB2 ASP 7 2HB ASP 7 12.440 1.897 9.950 52 HB3 ASP 7 1HB ASP 7 11.548 2.284 11.420 53 H VAL 8 H VAL 8 10.719 -0.508 8.338 54 HA VAL 8 HA VAL 8 13.214 -2.116 8.097 55 HB VAL 8 HB VAL 8 11.331 -3.628 8.766 56 HG11 VAL 8 1HG1 VAL 8 9.828 -2.023 7.110 57 HG12 VAL 8 2HG1 VAL 8 9.321 -3.599 7.714 58 HG13 VAL 8 3HG1 VAL 8 10.060 -3.463 6.119 59 HG21 VAL 8 1HG2 VAL 8 11.619 -5.202 6.812 60 HG22 VAL 8 2HG2 VAL 8 13.134 -4.566 7.452 61 HG23 VAL 8 3HG2 VAL 8 12.458 -3.904 5.964 62 H ARG 9 H ARG 9 14.082 -2.063 6.005 63 HA ARG 9 HA ARG 9 12.469 -0.599 3.947 64 HB2 ARG 9 2HB ARG 9 14.259 0.837 4.874 65 HB3 ARG 9 1HB ARG 9 15.450 -0.386 4.440 66 HG2 ARG 9 2HG ARG 9 14.804 -0.169 2.060 67 HG3 ARG 9 1HG ARG 9 13.643 1.083 2.498 68 HD2 ARG 9 2HD ARG 9 16.634 1.223 2.982 69 HD3 ARG 9 1HD ARG 9 15.768 2.064 1.695 70 HE ARG 9 HE ARG 9 14.449 2.949 3.913 71 HH11 ARG 9 1HH1 ARG 9 15.109 4.685 5.201 72 HH12 ARG 9 2HH1 ARG 9 16.789 5.101 5.277 73 HH21 ARG 9 1HH2 ARG 9 17.782 2.583 3.109 74 HH22 ARG 9 2HH2 ARG 9 18.302 3.910 4.092 75 H LYS 10 H LYS 10 12.209 -1.737 2.102 76 HA LYS 10 HA LYS 10 14.323 -3.666 1.297 77 HB2 LYS 10 2HB LYS 10 11.367 -4.330 1.438 78 HB3 LYS 10 1HB LYS 10 12.613 -5.370 0.751 79 HG2 LYS 10 2HG LYS 10 13.774 -5.367 2.963 80 HG3 LYS 10 1HG LYS 10 12.431 -4.440 3.632 81 HD2 LYS 10 2HD LYS 10 10.880 -6.276 2.939 82 HD3 LYS 10 1HD LYS 10 12.280 -7.215 2.417 83 HE2 LYS 10 2HE LYS 10 12.833 -6.286 5.047 84 HE3 LYS 10 1HE LYS 10 11.198 -6.948 5.063 85 HZ1 LYS 10 1HZ LYS 10 13.100 -8.526 3.579 86 HZ2 LYS 10 2HZ LYS 10 11.948 -9.010 4.731 87 HZ3 LYS 10 3HZ LYS 10 13.455 -8.408 5.234 88 H SER 11 H SER 11 14.110 -4.245 -1.040 89 HA SER 11 HA SER 11 12.296 -2.589 -2.644 90 HB2 SER 11 2HB SER 11 14.005 -1.366 -3.801 91 HB3 SER 11 1HB SER 11 14.230 -1.106 -2.070 92 HG SER 11 HG SER 11 16.210 -1.674 -2.709 93 H VAL 12 H VAL 12 12.277 -3.196 -4.869 94 HA VAL 12 HA VAL 12 13.987 -5.400 -5.769 95 HB VAL 12 HB VAL 12 11.058 -5.768 -5.202 96 HG11 VAL 12 1HG1 VAL 12 11.223 -6.590 -7.410 97 HG12 VAL 12 2HG1 VAL 12 11.478 -8.021 -6.412 98 HG13 VAL 12 3HG1 VAL 12 12.855 -7.203 -7.149 99 HG21 VAL 12 1HG2 VAL 12 12.035 -7.949 -4.253 100 HG22 VAL 12 2HG2 VAL 12 12.417 -6.471 -3.372 101 HG23 VAL 12 3HG2 VAL 12 13.614 -7.193 -4.446 102 H VAL 13 H VAL 13 13.684 -5.822 -8.069 103 HA VAL 13 HA VAL 13 12.512 -3.460 -9.436 104 HB VAL 13 HB VAL 13 14.389 -5.567 -10.540 105 HG11 VAL 13 1HG1 VAL 13 14.771 -3.544 -12.161 106 HG12 VAL 13 2HG1 VAL 13 13.198 -3.005 -11.572 107 HG13 VAL 13 3HG1 VAL 13 13.348 -4.563 -12.384 108 HG21 VAL 13 1HG2 VAL 13 15.400 -2.843 -10.129 109 HG22 VAL 13 2HG2 VAL 13 16.141 -4.387 -9.710 110 HG23 VAL 13 3HG2 VAL 13 14.965 -3.650 -8.622 111 H VAL 14 H VAL 14 10.807 -3.688 -10.796 112 HA VAL 14 HA VAL 14 9.888 -6.458 -11.430 113 HB VAL 14 HB VAL 14 8.440 -5.617 -9.678 114 HG11 VAL 14 1HG1 VAL 14 8.710 -3.108 -11.247 115 HG12 VAL 14 2HG1 VAL 14 8.562 -3.336 -9.504 116 HG13 VAL 14 3HG1 VAL 14 7.126 -3.403 -10.528 117 HG21 VAL 14 1HG2 VAL 14 7.370 -6.760 -11.651 118 HG22 VAL 14 2HG2 VAL 14 7.052 -5.170 -12.346 119 HG23 VAL 14 3HG2 VAL 14 6.292 -5.633 -10.829 120 H ALA 15 H ALA 15 8.591 -6.575 -13.422 121 HA ALA 15 HA ALA 15 9.623 -4.805 -15.484 122 HB1 ALA 15 1HB ALA 15 8.884 -7.314 -15.670 123 HB2 ALA 15 2HB ALA 15 8.543 -6.225 -17.014 124 HB3 ALA 15 3HB ALA 15 7.267 -6.637 -15.868 125 H ALA 16 H ALA 16 8.842 -2.668 -15.006 126 HA ALA 16 HA ALA 16 6.124 -2.120 -15.839 127 HB1 ALA 16 1HB ALA 16 5.111 -1.558 -13.780 128 HB2 ALA 16 2HB ALA 16 6.654 -1.548 -12.925 129 HB3 ALA 16 3HB ALA 16 5.940 -3.077 -13.433 130 H SER 17 H SER 17 5.656 0.228 -15.646 131 HA SER 17 HA SER 17 8.175 1.815 -15.635 132 HB2 SER 17 2HB SER 17 5.457 2.491 -16.808 133 HB3 SER 17 1HB SER 17 6.910 3.478 -16.942 134 HG SER 17 HG SER 17 7.026 2.314 -18.738 135 H VAL 18 H VAL 18 8.231 3.721 -14.293 136 HA VAL 18 HA VAL 18 6.898 3.564 -11.825 137 HB VAL 18 HB VAL 18 7.749 5.738 -11.368 138 HG11 VAL 18 1HG1 VAL 18 9.300 3.740 -12.547 139 HG12 VAL 18 2HG1 VAL 18 9.904 5.102 -11.603 140 HG13 VAL 18 3HG1 VAL 18 9.812 5.219 -13.358 141 HG21 VAL 18 1HG2 VAL 18 8.537 7.203 -13.289 142 HG22 VAL 18 2HG2 VAL 18 6.789 7.006 -13.174 143 HG23 VAL 18 3HG2 VAL 18 7.703 6.093 -14.375 144 H GLU 19 H GLU 19 6.002 5.426 -14.723 145 HA GLU 19 HA GLU 19 3.686 6.661 -13.593 146 HB2 GLU 19 2HB GLU 19 4.724 7.297 -15.790 147 HB3 GLU 19 1HB GLU 19 4.082 5.803 -16.467 148 HG2 GLU 19 2HG GLU 19 1.787 6.529 -15.820 149 HG3 GLU 19 1HG GLU 19 2.462 8.058 -15.256 150 H HIS 20 H HIS 20 4.210 3.561 -15.218 151 HA HIS 20 HA HIS 20 1.463 2.734 -15.236 152 HB2 HIS 20 2HB HIS 20 2.959 1.490 -16.621 153 HB3 HIS 20 1HB HIS 20 4.052 1.174 -15.268 154 HD1 HIS 20 1HD HIS 20 0.992 -0.079 -16.920 155 HD2 HIS 20 2HD HIS 20 2.917 -0.659 -13.256 156 HE1 HIS 20 1HE HIS 20 -0.075 -2.109 -15.851 157 HE2 HIS 20 2HE HIS 20 1.104 -2.487 -13.647 158 H CYS 21 H CYS 21 4.107 2.303 -12.942 159 HA CYS 21 HA CYS 21 2.970 0.520 -11.131 160 HB2 CYS 21 2HB CYS 21 4.602 2.996 -10.511 161 HB3 CYS 21 1HB CYS 21 4.394 1.616 -9.439 162 HG CYS 21 HG CYS 21 6.249 1.709 -11.871 163 H PHE 22 H PHE 22 2.588 4.058 -11.219 164 HA PHE 22 HA PHE 22 0.624 3.917 -9.054 165 HB2 PHE 22 2HB PHE 22 2.162 6.020 -10.345 166 HB3 PHE 22 1HB PHE 22 0.474 6.485 -10.083 167 HD1 PHE 22 1HD PHE 22 -0.398 6.831 -7.887 168 HD2 PHE 22 2HD PHE 22 3.502 5.117 -8.429 169 HE1 PHE 22 1HE PHE 22 0.014 7.000 -5.448 170 HE2 PHE 22 2HE PHE 22 3.920 5.292 -5.997 171 HZ PHE 22 HZ PHE 22 2.174 6.226 -4.509 172 H GLU 23 H GLU 23 0.568 4.054 -12.547 173 HA GLU 23 HA GLU 23 -2.104 4.984 -12.867 174 HB2 GLU 23 2HB GLU 23 -0.539 4.639 -14.767 175 HB3 GLU 23 1HB GLU 23 -0.663 2.900 -14.513 176 HG2 GLU 23 2HG GLU 23 -3.104 3.020 -14.886 177 HG3 GLU 23 1HG GLU 23 -2.955 4.750 -15.207 178 H VAL 24 H VAL 24 -0.772 1.751 -12.270 179 HA VAL 24 HA VAL 24 -3.317 0.417 -12.343 180 HB VAL 24 HB VAL 24 -0.671 -0.324 -11.053 181 HG11 VAL 24 1HG1 VAL 24 -2.081 -2.649 -11.391 182 HG12 VAL 24 2HG1 VAL 24 -3.354 -1.532 -10.904 183 HG13 VAL 24 3HG1 VAL 24 -1.951 -1.774 -9.867 184 HG21 VAL 24 1HG2 VAL 24 -0.643 -1.944 -12.974 185 HG22 VAL 24 2HG2 VAL 24 -0.613 -0.259 -13.493 186 HG23 VAL 24 3HG2 VAL 24 -2.113 -1.184 -13.586 187 H PHE 25 H PHE 25 -1.370 1.849 -9.743 188 HA PHE 25 HA PHE 25 -2.855 0.999 -7.501 189 HB2 PHE 25 2HB PHE 25 -1.417 3.599 -8.075 190 HB3 PHE 25 1HB PHE 25 -2.100 3.217 -6.504 191 HD1 PHE 25 1HD PHE 25 -0.881 0.244 -8.191 192 HD2 PHE 25 2HD PHE 25 0.330 3.631 -5.823 193 HE1 PHE 25 1HE PHE 25 1.184 -0.930 -7.558 194 HE2 PHE 25 2HE PHE 25 2.404 2.443 -5.201 195 HZ PHE 25 HZ PHE 25 2.823 0.157 -6.066 196 H THR 26 H THR 26 -3.357 3.911 -9.507 197 HA THR 26 HA THR 26 -5.796 4.538 -8.041 198 HB THR 26 HB THR 26 -5.971 6.399 -9.733 199 HG1 THR 26 1HG THR 26 -4.571 5.050 -11.208 200 HG21 THR 26 1HG2 THR 26 -4.996 7.084 -7.732 201 HG22 THR 26 2HG2 THR 26 -3.702 7.430 -8.882 202 HG23 THR 26 3HG2 THR 26 -3.638 5.967 -7.900 203 H SER 27 H SER 27 -5.109 2.348 -10.429 204 HA SER 27 HA SER 27 -7.682 2.735 -11.837 205 HB2 SER 27 2HB SER 27 -5.546 2.145 -13.057 206 HB3 SER 27 1HB SER 27 -5.643 0.562 -12.299 207 HG SER 27 HG SER 27 -6.686 0.419 -14.246 208 H ARG 28 H ARG 28 -6.096 -0.215 -10.489 209 HA ARG 28 HA ARG 28 -8.376 -0.805 -8.786 210 HB2 ARG 28 2HB ARG 28 -9.100 -2.842 -10.035 211 HB3 ARG 28 1HB ARG 28 -9.470 -1.346 -10.875 212 HG2 ARG 28 2HG ARG 28 -6.841 -2.674 -11.452 213 HG3 ARG 28 1HG ARG 28 -8.293 -3.399 -12.128 214 HD2 ARG 28 2HD ARG 28 -8.391 -0.563 -12.579 215 HD3 ARG 28 1HD ARG 28 -6.831 -1.180 -13.109 216 HE ARG 28 HE ARG 28 -9.316 -1.628 -14.450 217 HH11 ARG 28 1HH1 ARG 28 -9.361 -3.163 -16.109 218 HH12 ARG 28 2HH1 ARG 28 -8.112 -4.360 -16.197 219 HH21 ARG 28 1HH2 ARG 28 -6.432 -3.196 -13.396 220 HH22 ARG 28 2HH2 ARG 28 -6.455 -4.379 -14.661 221 HA PRO 29 HA PRO 29 -4.174 -2.927 -8.056 222 HB2 PRO 29 2HB PRO 29 -4.321 -2.382 -5.308 223 HB3 PRO 29 1HB PRO 29 -3.364 -1.487 -6.501 224 HG2 PRO 29 2HG PRO 29 -6.014 -0.848 -5.335 225 HG3 PRO 29 1HG PRO 29 -4.697 0.236 -5.818 226 HD2 PRO 29 2HD PRO 29 -6.911 -0.027 -7.327 227 HD3 PRO 29 1HD PRO 29 -5.317 0.205 -8.063 228 H ALA 30 H ALA 30 -7.249 -3.082 -6.263 229 HA ALA 30 HA ALA 30 -6.635 -5.620 -5.016 230 HB1 ALA 30 1HB ALA 30 -9.156 -5.728 -4.688 231 HB2 ALA 30 2HB ALA 30 -9.248 -4.182 -5.528 232 HB3 ALA 30 3HB ALA 30 -8.366 -4.309 -4.005 233 H ASP 31 H ASP 31 -8.112 -4.671 -8.060 234 HA ASP 31 HA ASP 31 -9.118 -7.278 -8.756 235 HB2 ASP 31 2HB ASP 31 -8.325 -4.925 -10.481 236 HB3 ASP 31 1HB ASP 31 -9.161 -6.355 -11.081 237 H TRP 32 H TRP 32 -5.945 -6.170 -8.427 238 HA TRP 32 HA TRP 32 -4.428 -7.047 -10.502 239 HB2 TRP 32 2HB TRP 32 -4.045 -7.368 -7.554 240 HB3 TRP 32 1HB TRP 32 -2.934 -8.211 -8.625 241 HD1 TRP 32 HD TRP 32 -2.547 -6.035 -10.886 242 HE1 TRP 32 1HE TRP 32 -1.303 -3.852 -10.375 243 HE3 TRP 32 3HE TRP 32 -3.023 -5.912 -5.811 244 HZ2 TRP 32 2HZ TRP 32 -0.587 -2.263 -8.116 245 HZ3 TRP 32 3HZ TRP 32 -2.044 -4.058 -4.504 246 HH2 TRP 32 HH TRP 32 -0.825 -2.232 -5.644 247 H TRP 33 H TRP 33 -6.129 -9.262 -8.253 248 HA TRP 33 HA TRP 33 -5.000 -11.642 -9.425 249 HB2 TRP 33 2HB TRP 33 -7.370 -12.572 -8.543 250 HB3 TRP 33 1HB TRP 33 -6.021 -12.247 -7.459 251 HD1 TRP 33 HD TRP 33 -6.412 -10.551 -5.602 252 HE1 TRP 33 1HE TRP 33 -8.300 -8.904 -5.000 253 HE3 TRP 33 3HE TRP 33 -9.304 -10.948 -9.794 254 HZ2 TRP 33 2HZ TRP 33 -10.712 -7.882 -6.147 255 HZ3 TRP 33 3HZ TRP 33 -11.388 -9.626 -10.013 256 HH2 TRP 33 HH TRP 33 -12.096 -8.096 -8.195 257 HA PRO 34 HA PRO 34 -7.023 -11.995 -13.301 258 HB2 PRO 34 2HB PRO 34 -7.925 -14.647 -13.184 259 HB3 PRO 34 1HB PRO 34 -6.316 -14.122 -13.708 260 HG2 PRO 34 2HG PRO 34 -7.193 -15.214 -11.098 261 HG3 PRO 34 1HG PRO 34 -5.650 -15.403 -11.945 262 HD2 PRO 34 2HD PRO 34 -5.922 -13.755 -9.808 263 HD3 PRO 34 1HD PRO 34 -4.805 -13.394 -11.142 264 HA PRO 35 HA PRO 35 -11.341 -11.200 -12.712 265 HB2 PRO 35 2HB PRO 35 -12.331 -12.007 -15.168 266 HB3 PRO 35 1HB PRO 35 -11.544 -10.449 -14.860 267 HG2 PRO 35 2HG PRO 35 -10.439 -12.917 -16.087 268 HG3 PRO 35 1HG PRO 35 -10.127 -11.218 -16.481 269 HD2 PRO 35 2HD PRO 35 -8.367 -12.730 -15.055 270 HD3 PRO 35 1HD PRO 35 -8.539 -10.979 -14.809 271 H SER 36 H SER 36 -10.303 -14.403 -13.631 272 HA SER 36 HA SER 36 -12.931 -15.507 -12.715 273 HB2 SER 36 2HB SER 36 -12.389 -17.506 -14.000 274 HB3 SER 36 1HB SER 36 -12.239 -16.097 -15.044 275 HG SER 36 HG SER 36 -10.324 -16.935 -15.382 276 H HIS 37 H HIS 37 -12.856 -17.340 -11.266 277 HA HIS 37 HA HIS 37 -12.067 -18.250 -9.234 278 HB2 HIS 37 2HB HIS 37 -10.998 -19.661 -11.023 279 HB3 HIS 37 1HB HIS 37 -9.573 -18.628 -10.917 280 HD1 HIS 37 1HD HIS 37 -11.762 -20.617 -8.489 281 HD2 HIS 37 2HD HIS 37 -7.763 -19.583 -9.069 282 HE1 HIS 37 1HE HIS 37 -10.448 -21.772 -6.654 283 HE2 HIS 37 2HE HIS 37 -8.014 -21.149 -6.998 284 H VAL 38 H VAL 38 -11.925 -15.563 -8.985 285 HA VAL 38 HA VAL 38 -9.184 -14.712 -8.380 286 HB VAL 38 HB VAL 38 -10.340 -12.842 -9.034 287 HG11 VAL 38 1HG1 VAL 38 -12.812 -12.550 -8.448 288 HG12 VAL 38 2HG1 VAL 38 -12.761 -14.206 -7.842 289 HG13 VAL 38 3HG1 VAL 38 -12.428 -13.879 -9.543 290 HG21 VAL 38 1HG2 VAL 38 -11.371 -12.858 -6.188 291 HG22 VAL 38 2HG2 VAL 38 -10.889 -11.471 -7.161 292 HG23 VAL 38 3HG2 VAL 38 -9.668 -12.594 -6.566 293 H LEU 39 H LEU 39 -8.215 -15.249 -6.505 294 HA LEU 39 HA LEU 39 -9.934 -15.646 -4.084 295 HB2 LEU 39 2HB LEU 39 -8.863 -17.747 -4.932 296 HB3 LEU 39 1HB LEU 39 -7.287 -16.991 -4.705 297 HG LEU 39 HG LEU 39 -7.899 -16.625 -2.284 298 HD11 LEU 39 1HD1 LEU 39 -9.759 -18.380 -1.597 299 HD12 LEU 39 2HD1 LEU 39 -10.331 -18.099 -3.240 300 HD13 LEU 39 3HD1 LEU 39 -10.213 -16.755 -2.106 301 HD21 LEU 39 1HD2 LEU 39 -6.494 -18.532 -3.060 302 HD22 LEU 39 2HD2 LEU 39 -7.953 -19.508 -3.230 303 HD23 LEU 39 3HD2 LEU 39 -7.451 -18.943 -1.636 304 H VAL 40 H VAL 40 -9.493 -14.222 -2.463 305 HA VAL 40 HA VAL 40 -6.782 -12.957 -2.413 306 HB VAL 40 HB VAL 40 -7.954 -10.870 -1.573 307 HG11 VAL 40 1HG1 VAL 40 -7.684 -11.887 -4.221 308 HG12 VAL 40 2HG1 VAL 40 -7.704 -10.202 -3.700 309 HG13 VAL 40 3HG1 VAL 40 -9.210 -11.006 -4.143 310 HG21 VAL 40 1HG2 VAL 40 -10.383 -10.697 -2.114 311 HG22 VAL 40 2HG2 VAL 40 -10.066 -11.909 -0.874 312 HG23 VAL 40 3HG2 VAL 40 -10.391 -12.410 -2.532 313 H LYS 41 H LYS 41 -5.796 -13.115 -0.441 314 HA LYS 41 HA LYS 41 -6.986 -14.594 1.699 315 HB2 LYS 41 2HB LYS 41 -4.635 -12.690 1.706 316 HB3 LYS 41 1HB LYS 41 -5.052 -13.759 3.044 317 HG2 LYS 41 2HG LYS 41 -4.862 -15.704 1.480 318 HG3 LYS 41 1HG LYS 41 -4.300 -14.592 0.229 319 HD2 LYS 41 2HD LYS 41 -2.420 -13.913 1.698 320 HD3 LYS 41 1HD LYS 41 -2.963 -15.077 2.908 321 HE2 LYS 41 2HE LYS 41 -1.236 -15.566 0.730 322 HE3 LYS 41 1HE LYS 41 -1.926 -16.757 1.832 323 HZ1 LYS 41 1HZ LYS 41 -3.914 -16.795 0.390 324 HZ2 LYS 41 2HZ LYS 41 -2.509 -17.342 -0.391 325 HZ3 LYS 41 3HZ LYS 41 -3.110 -15.785 -0.709 326 H LYS 42 H LYS 42 -6.810 -11.204 0.896 327 HA LYS 42 HA LYS 42 -8.208 -10.454 3.401 328 HB2 LYS 42 2HB LYS 42 -6.477 -8.925 3.002 329 HB3 LYS 42 1HB LYS 42 -6.707 -8.972 1.259 330 HG2 LYS 42 2HG LYS 42 -7.451 -6.822 2.166 331 HG3 LYS 42 1HG LYS 42 -8.823 -7.696 1.508 332 HD2 LYS 42 2HD LYS 42 -9.234 -8.540 3.899 333 HD3 LYS 42 1HD LYS 42 -8.060 -7.330 4.410 334 HE2 LYS 42 2HE LYS 42 -9.744 -5.953 2.668 335 HE3 LYS 42 1HE LYS 42 -10.833 -6.981 3.600 336 HZ1 LYS 42 1HZ LYS 42 -8.917 -5.898 5.335 337 HZ2 LYS 42 2HZ LYS 42 -10.595 -5.632 5.320 338 HZ3 LYS 42 3HZ LYS 42 -9.564 -4.629 4.415 339 H GLU 43 H GLU 43 -10.353 -9.791 3.367 340 HA GLU 43 HA GLU 43 -11.987 -10.509 1.120 341 HB2 GLU 43 2HB GLU 43 -12.578 -8.758 3.514 342 HB3 GLU 43 1HB GLU 43 -13.797 -9.368 2.403 343 HG2 GLU 43 2HG GLU 43 -13.081 -11.693 2.943 344 HG3 GLU 43 1HG GLU 43 -11.946 -11.040 4.125 345 H ARG 44 H ARG 44 -12.003 -9.393 -0.774 346 HA ARG 44 HA ARG 44 -11.829 -6.407 -0.646 347 HB2 ARG 44 2HB ARG 44 -10.612 -8.267 -2.711 348 HB3 ARG 44 1HB ARG 44 -10.639 -6.507 -2.837 349 HG2 ARG 44 2HG ARG 44 -9.418 -6.395 -0.641 350 HG3 ARG 44 1HG ARG 44 -9.265 -8.152 -0.692 351 HD2 ARG 44 2HD ARG 44 -8.148 -7.911 -2.939 352 HD3 ARG 44 1HD ARG 44 -8.144 -6.165 -2.683 353 HE ARG 44 HE ARG 44 -6.316 -8.040 -1.471 354 HH11 ARG 44 1HH1 ARG 44 -4.904 -7.224 0.095 355 HH12 ARG 44 2HH1 ARG 44 -5.249 -5.700 0.843 356 HH21 ARG 44 1HH2 ARG 44 -8.171 -5.180 -0.951 357 HH22 ARG 44 2HH2 ARG 44 -7.098 -4.543 0.251 358 H ALA 45 H ALA 45 -13.274 -5.294 -1.970 359 HA ALA 45 HA ALA 45 -15.072 -6.948 -3.696 360 HB1 ALA 45 1HB ALA 45 -16.645 -4.858 -2.714 361 HB2 ALA 45 2HB ALA 45 -15.736 -5.417 -1.310 362 HB3 ALA 45 3HB ALA 45 -16.734 -6.549 -2.223 363 H GLY 46 H GLY 46 -14.050 -3.633 -2.869 364 HA2 GLY 46 2HA GLY 46 -13.711 -2.974 -5.702 365 HA3 GLY 46 1HA GLY 46 -15.058 -2.135 -4.938 366 H LEU 47 H LEU 47 -13.173 -0.422 -5.767 367 HA LEU 47 HA LEU 47 -12.030 0.513 -3.228 368 HB2 LEU 47 2HB LEU 47 -9.884 0.801 -5.058 369 HB3 LEU 47 1HB LEU 47 -9.918 -0.146 -3.572 370 HG LEU 47 HG LEU 47 -10.783 -2.085 -4.801 371 HD11 LEU 47 1HD1 LEU 47 -10.384 -1.350 -7.494 372 HD12 LEU 47 2HD1 LEU 47 -11.347 -0.053 -6.790 373 HD13 LEU 47 3HD1 LEU 47 -11.923 -1.717 -6.717 374 HD21 LEU 47 1HD2 LEU 47 -8.470 -2.183 -4.789 375 HD22 LEU 47 2HD2 LEU 47 -8.301 -0.692 -5.706 376 HD23 LEU 47 3HD2 LEU 47 -8.781 -2.176 -6.526 377 H ALA 48 H ALA 48 -11.791 2.710 -3.167 378 HA ALA 48 HA ALA 48 -12.520 4.183 -5.657 379 HB1 ALA 48 1HB ALA 48 -12.520 5.212 -2.800 380 HB2 ALA 48 2HB ALA 48 -13.944 4.537 -3.590 381 HB3 ALA 48 3HB ALA 48 -13.206 6.013 -4.213 382 H PHE 49 H PHE 49 -10.991 5.620 -6.508 383 HA PHE 49 HA PHE 49 -8.520 6.065 -4.888 384 HB2 PHE 49 2HB PHE 49 -8.842 4.589 -7.406 385 HB3 PHE 49 1HB PHE 49 -7.570 5.809 -7.441 386 HD1 PHE 49 1HD PHE 49 -5.712 5.727 -5.785 387 HD2 PHE 49 2HD PHE 49 -8.643 2.608 -6.077 388 HE1 PHE 49 1HE PHE 49 -4.199 4.194 -4.557 389 HE2 PHE 49 2HE PHE 49 -7.134 1.074 -4.849 390 HZ PHE 49 HZ PHE 49 -4.906 1.864 -4.106 391 H GLU 50 H GLU 50 -7.895 8.156 -4.925 392 HA GLU 50 HA GLU 50 -8.663 9.813 -7.286 393 HB2 GLU 50 2HB GLU 50 -9.218 10.249 -4.409 394 HB3 GLU 50 1HB GLU 50 -8.714 11.661 -5.336 395 HG2 GLU 50 2HG GLU 50 -11.210 11.233 -5.224 396 HG3 GLU 50 1HG GLU 50 -10.544 11.429 -6.846 397 HA PRO 51 HA PRO 51 -4.246 10.728 -6.826 398 HB2 PRO 51 2HB PRO 51 -3.889 12.289 -8.968 399 HB3 PRO 51 1HB PRO 51 -4.310 10.574 -9.159 400 HG2 PRO 51 2HG PRO 51 -6.058 12.984 -9.370 401 HG3 PRO 51 1HG PRO 51 -6.011 11.533 -10.388 402 HD2 PRO 51 2HD PRO 51 -7.841 11.943 -8.335 403 HD3 PRO 51 1HD PRO 51 -7.384 10.353 -8.989 404 H PHE 52 H PHE 52 -3.021 12.359 -5.806 405 HA PHE 52 HA PHE 52 -3.073 15.079 -5.996 406 HB2 PHE 52 2HB PHE 52 -4.603 15.678 -3.957 407 HB3 PHE 52 1HB PHE 52 -5.320 15.497 -5.547 408 HD1 PHE 52 1HD PHE 52 -7.473 15.160 -4.252 409 HD2 PHE 52 2HD PHE 52 -4.213 12.365 -3.989 410 HE1 PHE 52 1HE PHE 52 -9.001 13.434 -3.340 411 HE2 PHE 52 2HE PHE 52 -5.753 10.652 -3.111 412 HZ PHE 52 HZ PHE 52 -8.123 11.181 -2.770 413 H VAL 53 H VAL 53 -2.504 16.263 -3.859 414 HA VAL 53 HA VAL 53 -0.531 14.595 -2.438 415 HB VAL 53 HB VAL 53 0.597 16.556 -2.468 416 HG11 VAL 53 1HG1 VAL 53 -1.998 17.934 -3.199 417 HG12 VAL 53 2HG1 VAL 53 -0.876 17.207 -4.351 418 HG13 VAL 53 3HG1 VAL 53 -0.376 18.596 -3.388 419 HG21 VAL 53 1HG2 VAL 53 -0.306 16.745 -0.148 420 HG22 VAL 53 2HG2 VAL 53 -1.659 17.689 -0.781 421 HG23 VAL 53 3HG2 VAL 53 -0.017 18.316 -0.893 422 H GLY 54 H GLY 54 -0.716 14.098 -0.182 423 HA2 GLY 54 2HA GLY 54 -1.909 13.750 1.842 424 HA3 GLY 54 1HA GLY 54 -2.786 15.247 1.487 425 H GLY 55 H GLY 55 -2.492 12.638 -0.748 426 HA2 GLY 55 2HA GLY 55 -5.304 12.549 -1.237 427 HA3 GLY 55 1HA GLY 55 -4.082 11.493 -1.938 428 H ARG 56 H ARG 56 -6.337 10.234 -1.527 429 HA ARG 56 HA ARG 56 -5.710 8.490 0.792 430 HB2 ARG 56 2HB ARG 56 -8.390 9.837 0.373 431 HB3 ARG 56 1HB ARG 56 -8.100 8.530 1.520 432 HG2 ARG 56 2HG ARG 56 -6.349 9.943 2.613 433 HG3 ARG 56 1HG ARG 56 -6.786 11.262 1.526 434 HD2 ARG 56 2HD ARG 56 -9.146 11.087 2.376 435 HD3 ARG 56 1HD ARG 56 -8.572 9.925 3.572 436 HE ARG 56 HE ARG 56 -6.911 12.023 4.044 437 HH11 ARG 56 1HH1 ARG 56 -7.396 13.823 5.322 438 HH12 ARG 56 2HH1 ARG 56 -9.046 14.316 5.509 439 HH21 ARG 56 1HH2 ARG 56 -10.308 11.785 3.503 440 HH22 ARG 56 2HH2 ARG 56 -10.695 13.163 4.478 441 H TYR 57 H TYR 57 -6.250 6.362 0.420 442 HA TYR 57 HA TYR 57 -7.776 5.755 -2.081 443 HB2 TYR 57 2HB TYR 57 -5.582 4.052 -0.869 444 HB3 TYR 57 1HB TYR 57 -6.397 3.788 -2.407 445 HD1 TYR 57 1HD TYR 57 -6.424 6.503 -3.613 446 HD2 TYR 57 2HD TYR 57 -3.350 4.492 -1.376 447 HE1 TYR 57 1HE TYR 57 -4.713 7.890 -4.722 448 HE2 TYR 57 2HE TYR 57 -1.636 5.879 -2.501 449 HH TYR 57 HH TYR 57 -2.488 8.612 -4.479 450 H TYR 58 H TYR 58 -9.419 4.249 -1.873 451 HA TYR 58 HA TYR 58 -9.844 3.160 0.885 452 HB2 TYR 58 2HB TYR 58 -12.063 3.832 -1.037 453 HB3 TYR 58 1HB TYR 58 -12.141 3.632 0.713 454 HD1 TYR 58 1HD TYR 58 -10.494 5.759 -1.904 455 HD2 TYR 58 2HD TYR 58 -12.055 5.512 2.095 456 HE1 TYR 58 1HE TYR 58 -10.106 8.187 -1.600 457 HE2 TYR 58 2HE TYR 58 -11.664 7.942 2.395 458 HH TYR 58 HH TYR 58 -11.271 10.045 0.023 459 H GLU 59 H GLU 59 -10.812 1.104 1.047 460 HA GLU 59 HA GLU 59 -10.979 -0.473 -1.488 461 HB2 GLU 59 2HB GLU 59 -8.903 -1.023 -0.208 462 HB3 GLU 59 1HB GLU 59 -9.909 -1.471 1.171 463 HG2 GLU 59 2HG GLU 59 -9.396 -3.501 -0.019 464 HG3 GLU 59 1HG GLU 59 -11.086 -3.121 -0.350 465 H TRP 60 H TRP 60 -12.644 -2.026 -1.522 466 HA TRP 60 HA TRP 60 -14.695 -1.693 0.622 467 HB2 TRP 60 2HB TRP 60 -14.784 -2.075 -2.292 468 HB3 TRP 60 1HB TRP 60 -15.876 -3.141 -1.415 469 HD1 TRP 60 HD TRP 60 -17.196 -1.579 0.706 470 HE1 TRP 60 1HE TRP 60 -18.523 0.594 0.263 471 HE3 TRP 60 3HE TRP 60 -15.176 -0.205 -3.776 472 HZ2 TRP 60 2HZ TRP 60 -18.682 2.654 -1.734 473 HZ3 TRP 60 3HZ TRP 60 -15.921 1.856 -4.923 474 HH2 TRP 60 HH TRP 60 -17.669 3.283 -3.913 475 H ASP 61 H ASP 61 -15.107 -3.441 1.920 476 HA ASP 61 HA ASP 61 -13.974 -6.077 1.047 477 HB2 ASP 61 2HB ASP 61 -14.374 -5.016 3.851 478 HB3 ASP 61 1HB ASP 61 -13.799 -6.633 3.452 479 H ILE 62 H ILE 62 -15.239 -7.828 1.179 480 HA ILE 62 HA ILE 62 -17.975 -7.633 0.768 481 HB ILE 62 HB ILE 62 -16.455 -9.929 1.980 482 HG12 ILE 62 2HG1 ILE 62 -16.862 -10.455 -0.705 483 HG13 ILE 62 1HG1 ILE 62 -16.520 -8.729 -0.702 484 HG21 ILE 62 1HG2 ILE 62 -19.149 -9.596 0.741 485 HG22 ILE 62 2HG2 ILE 62 -18.700 -10.480 2.198 486 HG23 ILE 62 3HG2 ILE 62 -18.312 -11.141 0.610 487 HD11 ILE 62 1HD1 ILE 62 -14.508 -10.335 -0.918 488 HD12 ILE 62 2HD1 ILE 62 -14.749 -10.672 0.793 489 HD13 ILE 62 3HD1 ILE 62 -14.378 -9.033 0.258 490 H ASP 63 H ASP 63 -16.204 -8.033 3.799 491 HA ASP 63 HA ASP 63 -18.802 -7.947 5.273 492 HB2 ASP 63 2HB ASP 63 -16.007 -8.646 6.221 493 HB3 ASP 63 1HB ASP 63 -17.443 -8.625 7.244 494 H GLY 64 H GLY 64 -16.069 -6.066 4.411 495 HA2 GLY 64 2HA GLY 64 -16.722 -4.082 6.538 496 HA3 GLY 64 1HA GLY 64 -15.153 -4.188 5.753 497 H THR 65 H THR 65 -17.528 -2.182 5.951 498 HA THR 65 HA THR 65 -18.537 -1.634 3.363 499 HB THR 65 HB THR 65 -17.827 0.534 5.314 500 HG1 THR 65 1HG THR 65 -19.793 -1.485 5.600 501 HG21 THR 65 1HG2 THR 65 -20.548 0.254 4.226 502 HG22 THR 65 2HG2 THR 65 -19.304 0.477 2.997 503 HG23 THR 65 3HG2 THR 65 -19.501 1.671 4.280 504 H GLU 66 H GLU 66 -17.618 1.185 3.262 505 HA GLU 66 HA GLU 66 -15.079 0.713 1.784 506 HB2 GLU 66 2HB GLU 66 -17.155 2.032 0.865 507 HB3 GLU 66 1HB GLU 66 -16.558 3.327 1.882 508 HG2 GLU 66 2HG GLU 66 -14.345 3.126 0.780 509 HG3 GLU 66 1HG GLU 66 -15.035 1.931 -0.316 510 H ILE 67 H ILE 67 -13.158 1.522 2.612 511 HA ILE 67 HA ILE 67 -13.292 3.670 4.639 512 HB ILE 67 HB ILE 67 -13.494 1.332 5.727 513 HG12 ILE 67 2HG1 ILE 67 -11.587 2.096 7.404 514 HG13 ILE 67 1HG1 ILE 67 -11.629 3.555 6.420 515 HG21 ILE 67 1HG2 ILE 67 -10.503 1.334 5.326 516 HG22 ILE 67 2HG2 ILE 67 -11.576 0.483 4.217 517 HG23 ILE 67 3HG2 ILE 67 -11.528 0.027 5.919 518 HD11 ILE 67 1HD1 ILE 67 -13.869 2.326 8.022 519 HD12 ILE 67 2HD1 ILE 67 -14.176 3.501 6.742 520 HD13 ILE 67 3HD1 ILE 67 -13.206 3.956 8.142 521 H VAL 68 H VAL 68 -11.195 4.633 5.074 522 HA VAL 68 HA VAL 68 -9.312 4.283 2.803 523 HB VAL 68 HB VAL 68 -10.094 6.585 3.448 524 HG11 VAL 68 1HG1 VAL 68 -9.776 7.454 5.551 525 HG12 VAL 68 2HG1 VAL 68 -8.304 6.523 5.828 526 HG13 VAL 68 3HG1 VAL 68 -9.881 5.752 5.998 527 HG21 VAL 68 1HG2 VAL 68 -7.771 7.566 3.570 528 HG22 VAL 68 2HG2 VAL 68 -7.978 6.376 2.285 529 HG23 VAL 68 3HG2 VAL 68 -7.151 5.928 3.777 530 H TRP 69 H TRP 69 -7.494 3.087 3.122 531 HA TRP 69 HA TRP 69 -6.742 2.455 5.950 532 HB2 TRP 69 2HB TRP 69 -5.383 0.656 4.364 533 HB3 TRP 69 1HB TRP 69 -6.931 0.348 5.154 534 HD1 TRP 69 HD TRP 69 -9.052 0.196 3.693 535 HE1 TRP 69 1HE TRP 69 -9.475 0.238 1.157 536 HE3 TRP 69 3HE TRP 69 -4.475 1.755 2.059 537 HZ2 TRP 69 2HZ TRP 69 -8.061 0.848 -1.258 538 HZ3 TRP 69 3HZ TRP 69 -4.038 2.056 -0.361 539 HH2 TRP 69 HH TRP 69 -5.824 1.606 -2.021 540 H GLY 70 H GLY 70 -5.784 4.528 3.594 541 HA2 GLY 70 2HA GLY 70 -3.079 4.690 4.717 542 HA3 GLY 70 1HA GLY 70 -3.129 4.235 3.015 543 H ARG 71 H ARG 71 -1.836 6.474 3.347 544 HA ARG 71 HA ARG 71 -3.703 8.559 2.365 545 HB2 ARG 71 2HB ARG 71 -2.808 8.630 4.977 546 HB3 ARG 71 1HB ARG 71 -1.610 9.614 4.139 547 HG2 ARG 71 2HG ARG 71 -3.475 10.912 3.090 548 HG3 ARG 71 1HG ARG 71 -4.611 10.006 4.089 549 HD2 ARG 71 2HD ARG 71 -3.336 10.790 6.117 550 HD3 ARG 71 1HD ARG 71 -2.396 11.834 5.052 551 HE ARG 71 HE ARG 71 -5.204 12.236 5.825 552 HH11 ARG 71 1HH1 ARG 71 -6.085 14.202 5.143 553 HH12 ARG 71 2HH1 ARG 71 -5.232 15.159 3.977 554 HH21 ARG 71 1HH2 ARG 71 -2.593 12.931 3.684 555 HH22 ARG 71 2HH2 ARG 71 -3.256 14.440 3.152 556 H ILE 72 H ILE 72 -2.111 10.542 1.754 557 HA ILE 72 HA ILE 72 0.349 9.424 0.521 558 HB ILE 72 HB ILE 72 -1.814 11.036 -0.843 559 HG12 ILE 72 2HG1 ILE 72 -1.284 9.166 -2.594 560 HG13 ILE 72 1HG1 ILE 72 -0.529 8.335 -1.236 561 HG21 ILE 72 1HG2 ILE 72 0.229 12.150 -1.431 562 HG22 ILE 72 2HG2 ILE 72 -0.179 11.097 -2.785 563 HG23 ILE 72 3HG2 ILE 72 1.074 10.617 -1.640 564 HD11 ILE 72 1HD1 ILE 72 -3.364 8.702 -1.841 565 HD12 ILE 72 2HD1 ILE 72 -2.964 9.196 -0.201 566 HD13 ILE 72 3HD1 ILE 72 -2.593 7.564 -0.739 567 H LEU 73 H LEU 73 1.898 11.258 -0.088 568 HA LEU 73 HA LEU 73 1.529 13.554 1.796 569 HB2 LEU 73 2HB LEU 73 4.004 12.066 0.916 570 HB3 LEU 73 1HB LEU 73 4.084 13.643 1.702 571 HG LEU 73 HG LEU 73 2.475 11.415 2.926 572 HD11 LEU 73 1HD1 LEU 73 5.406 11.935 3.472 573 HD12 LEU 73 2HD1 LEU 73 4.818 10.618 2.460 574 HD13 LEU 73 3HD1 LEU 73 4.398 10.667 4.170 575 HD21 LEU 73 1HD2 LEU 73 4.017 13.253 4.615 576 HD22 LEU 73 2HD2 LEU 73 2.304 12.844 4.678 577 HD23 LEU 73 3HD2 LEU 73 2.871 14.085 3.564 578 H GLU 74 H GLU 74 3.082 12.639 -1.268 579 HA GLU 74 HA GLU 74 2.081 14.879 -2.728 580 HB2 GLU 74 2HB GLU 74 3.681 16.092 -1.208 581 HB3 GLU 74 1HB GLU 74 4.989 15.132 -1.900 582 HG2 GLU 74 2HG GLU 74 4.395 16.003 -4.155 583 HG3 GLU 74 1HG GLU 74 3.158 17.018 -3.414 584 H TRP 75 H TRP 75 2.843 14.823 -4.946 585 HA TRP 75 HA TRP 75 4.225 12.263 -5.604 586 HB2 TRP 75 2HB TRP 75 3.117 12.476 -7.813 587 HB3 TRP 75 1HB TRP 75 1.943 12.455 -6.493 588 HD1 TRP 75 HD TRP 75 0.811 14.786 -5.810 589 HE1 TRP 75 1HE TRP 75 0.426 16.946 -7.164 590 HE3 TRP 75 3HE TRP 75 4.065 14.001 -9.667 591 HZ2 TRP 75 2HZ TRP 75 1.373 18.177 -9.565 592 HZ3 TRP 75 3HZ TRP 75 4.303 15.682 -11.472 593 HH2 TRP 75 HH TRP 75 2.962 17.767 -11.427 594 H ASP 76 H ASP 76 6.203 12.383 -6.596 595 HA ASP 76 HA ASP 76 7.195 15.073 -7.332 596 HB2 ASP 76 2HB ASP 76 8.411 13.055 -5.962 597 HB3 ASP 76 1HB ASP 76 9.007 12.762 -7.596 598 HA PRO 77 HA PRO 77 6.167 14.180 -11.598 599 HB2 PRO 77 2HB PRO 77 8.309 15.902 -12.524 600 HB3 PRO 77 1HB PRO 77 6.562 16.139 -12.619 601 HG2 PRO 77 2HG PRO 77 8.393 17.417 -10.883 602 HG3 PRO 77 1HG PRO 77 6.638 17.599 -10.946 603 HD2 PRO 77 2HD PRO 77 8.188 16.337 -8.902 604 HD3 PRO 77 1HD PRO 77 6.420 16.460 -8.999 605 HA PRO 78 HA PRO 78 10.751 12.879 -12.936 606 HB2 PRO 78 2HB PRO 78 11.632 12.230 -10.148 607 HB3 PRO 78 1HB PRO 78 12.582 12.822 -11.521 608 HG2 PRO 78 2HG PRO 78 11.870 14.419 -9.503 609 HG3 PRO 78 1HG PRO 78 11.985 15.001 -11.172 610 HD2 PRO 78 2HD PRO 78 9.563 14.481 -9.530 611 HD3 PRO 78 1HD PRO 78 9.788 15.606 -10.882 612 H HIS 79 H HIS 79 10.339 11.129 -9.865 613 HA HIS 79 HA HIS 79 8.479 9.199 -10.761 614 HB2 HIS 79 2HB HIS 79 10.141 7.299 -11.033 615 HB3 HIS 79 1HB HIS 79 10.159 8.478 -12.340 616 HD1 HIS 79 1HD HIS 79 11.811 8.749 -8.916 617 HD2 HIS 79 2HD HIS 79 12.855 8.680 -12.954 618 HE1 HIS 79 1HE HIS 79 14.302 9.214 -9.023 619 HE2 HIS 79 2HE HIS 79 14.947 9.170 -11.475 620 H ARG 80 H ARG 80 8.853 10.697 -8.447 621 HA ARG 80 HA ARG 80 9.524 8.541 -6.482 622 HB2 ARG 80 2HB ARG 80 11.417 10.045 -6.438 623 HB3 ARG 80 1HB ARG 80 10.357 11.452 -6.342 624 HG2 ARG 80 2HG ARG 80 9.610 10.845 -4.146 625 HG3 ARG 80 1HG ARG 80 10.384 9.264 -4.254 626 HD2 ARG 80 2HD ARG 80 11.827 10.645 -2.928 627 HD3 ARG 80 1HD ARG 80 12.591 10.478 -4.506 628 HE ARG 80 HE ARG 80 10.891 12.835 -4.332 629 HH11 ARG 80 1HH1 ARG 80 11.969 14.822 -4.368 630 HH12 ARG 80 2HH1 ARG 80 13.678 14.870 -4.088 631 HH21 ARG 80 1HH2 ARG 80 13.973 11.441 -3.664 632 HH22 ARG 80 2HH2 ARG 80 14.812 12.957 -3.689 633 H LEU 81 H LEU 81 8.037 8.320 -4.862 634 HA LEU 81 HA LEU 81 6.063 10.514 -4.482 635 HB2 LEU 81 2HB LEU 81 5.399 7.601 -4.929 636 HB3 LEU 81 1HB LEU 81 4.239 8.816 -4.402 637 HG LEU 81 HG LEU 81 5.433 9.986 -6.613 638 HD11 LEU 81 1HD1 LEU 81 4.979 7.036 -7.100 639 HD12 LEU 81 2HD1 LEU 81 6.520 7.886 -7.204 640 HD13 LEU 81 3HD1 LEU 81 5.239 8.234 -8.367 641 HD21 LEU 81 1HD2 LEU 81 2.868 8.455 -6.191 642 HD22 LEU 81 2HD2 LEU 81 3.223 9.240 -7.729 643 HD23 LEU 81 3HD2 LEU 81 3.101 10.201 -6.255 644 H ALA 82 H ALA 82 5.842 10.968 -2.386 645 HA ALA 82 HA ALA 82 6.642 8.910 -0.367 646 HB1 ALA 82 1HB ALA 82 7.049 10.729 1.161 647 HB2 ALA 82 2HB ALA 82 6.248 11.885 0.095 648 HB3 ALA 82 3HB ALA 82 7.805 11.194 -0.363 649 H MET 83 H MET 83 5.034 8.440 1.321 650 HA MET 83 HA MET 83 2.449 9.835 0.952 651 HB2 MET 83 2HB MET 83 1.384 7.450 1.072 652 HB3 MET 83 1HB MET 83 1.996 8.052 -0.468 653 HG2 MET 83 2HG MET 83 4.118 6.870 -0.112 654 HG3 MET 83 1HG MET 83 3.559 6.314 1.464 655 HE1 MET 83 1HE MET 83 1.405 5.941 -2.331 656 HE2 MET 83 2HE MET 83 2.905 5.082 -2.670 657 HE3 MET 83 3HE MET 83 2.963 6.732 -2.058 658 H THR 84 H THR 84 0.998 9.725 2.684 659 HA THR 84 HA THR 84 2.211 8.788 5.248 660 HB THR 84 HB THR 84 -0.161 10.224 5.782 661 HG1 THR 84 1HG THR 84 0.186 10.908 3.517 662 HG21 THR 84 1HG2 THR 84 1.779 10.310 7.198 663 HG22 THR 84 2HG2 THR 84 1.489 11.949 6.613 664 HG23 THR 84 3HG2 THR 84 2.769 10.970 5.896 665 H TRP 85 H TRP 85 0.644 7.643 6.737 666 HA TRP 85 HA TRP 85 -1.292 6.049 5.106 667 HB2 TRP 85 2HB TRP 85 0.780 5.090 6.504 668 HB3 TRP 85 1HB TRP 85 -0.412 5.139 7.804 669 HD1 TRP 85 HD TRP 85 -1.758 3.010 8.012 670 HE1 TRP 85 1HE TRP 85 -2.527 1.136 6.415 671 HE3 TRP 85 3HE TRP 85 0.160 4.757 3.614 672 HZ2 TRP 85 2HZ TRP 85 -2.351 0.469 3.639 673 HZ3 TRP 85 3HZ TRP 85 -0.153 3.485 1.511 674 HH2 TRP 85 HH TRP 85 -1.405 1.344 1.518 675 H ARG 86 H ARG 86 -3.443 6.423 5.510 676 HA ARG 86 HA ARG 86 -4.151 7.631 8.162 677 HB2 ARG 86 2HB ARG 86 -4.730 8.986 6.134 678 HB3 ARG 86 1HB ARG 86 -5.773 7.667 5.600 679 HG2 ARG 86 2HG ARG 86 -7.027 7.850 7.757 680 HG3 ARG 86 1HG ARG 86 -6.045 9.257 8.168 681 HD2 ARG 86 2HD ARG 86 -6.830 10.341 6.039 682 HD3 ARG 86 1HD ARG 86 -7.926 8.979 5.810 683 HE ARG 86 HE ARG 86 -8.153 10.408 8.385 684 HH11 ARG 86 1HH1 ARG 86 -10.191 11.302 8.766 685 HH12 ARG 86 2HH1 ARG 86 -11.353 11.356 7.484 686 HH21 ARG 86 1HH2 ARG 86 -9.267 9.860 5.163 687 HH22 ARG 86 2HH2 ARG 86 -10.830 10.542 5.449 688 H ILE 87 H ILE 87 -4.494 5.744 9.374 689 HA ILE 87 HA ILE 87 -6.915 4.215 8.635 690 HB ILE 87 HB ILE 87 -4.813 3.030 7.738 691 HG12 ILE 87 2HG1 ILE 87 -6.410 1.468 9.783 692 HG13 ILE 87 1HG1 ILE 87 -7.097 1.990 8.244 693 HG21 ILE 87 1HG2 ILE 87 -4.474 2.283 10.647 694 HG22 ILE 87 2HG2 ILE 87 -3.540 3.577 9.898 695 HG23 ILE 87 3HG2 ILE 87 -3.395 1.925 9.298 696 HD11 ILE 87 1HD1 ILE 87 -6.011 -0.380 8.388 697 HD12 ILE 87 2HD1 ILE 87 -4.485 0.501 8.306 698 HD13 ILE 87 3HD1 ILE 87 -5.650 0.635 6.993 699 H ASP 88 H ASP 88 -7.700 2.898 10.494 700 HA ASP 88 HA ASP 88 -6.770 4.049 13.093 701 HB2 ASP 88 2HB ASP 88 -9.059 4.726 12.524 702 HB3 ASP 88 1HB ASP 88 -9.519 3.034 12.369 703 H GLY 89 H GLY 89 -7.488 2.498 14.955 704 HA2 GLY 89 2HA GLY 89 -5.957 0.112 14.721 705 HA3 GLY 89 1HA GLY 89 -7.086 0.454 16.031 706 H HIS 90 H HIS 90 -9.472 0.619 14.391 707 HA HIS 90 HA HIS 90 -9.738 -2.284 13.739 708 HB2 HIS 90 2HB HIS 90 -11.258 -0.653 15.406 709 HB3 HIS 90 1HB HIS 90 -12.241 -0.801 13.952 710 HD1 HIS 90 1HD HIS 90 -12.370 -2.333 16.942 711 HD2 HIS 90 2HD HIS 90 -11.539 -3.932 13.179 712 HE1 HIS 90 1HE HIS 90 -12.876 -4.813 17.089 713 HE2 HIS 90 2HE HIS 90 -12.374 -5.795 14.803 714 H TRP 91 H TRP 91 -8.628 -0.577 11.752 715 HA TRP 91 HA TRP 91 -8.936 -0.002 9.497 716 HB2 TRP 91 2HB TRP 91 -11.030 -2.142 9.905 717 HB3 TRP 91 1HB TRP 91 -10.792 -1.363 8.343 718 HD1 TRP 91 HD TRP 91 -8.293 -1.565 7.271 719 HE1 TRP 91 1HE TRP 91 -6.595 -3.488 7.441 720 HE3 TRP 91 3HE TRP 91 -10.119 -4.001 11.360 721 HZ2 TRP 91 2HZ TRP 91 -6.087 -5.775 9.097 722 HZ3 TRP 91 3HZ TRP 91 -9.022 -6.047 12.212 723 HH2 TRP 91 HH TRP 91 -7.002 -6.938 11.085 724 H GLN 92 H GLN 92 -10.051 1.819 11.284 725 HA GLN 92 HA GLN 92 -12.571 2.613 9.878 726 HB2 GLN 92 2HB GLN 92 -11.753 3.250 12.731 727 HB3 GLN 92 1HB GLN 92 -13.236 3.784 11.940 728 HG2 GLN 92 2HG GLN 92 -13.896 1.408 11.612 729 HG3 GLN 92 1HG GLN 92 -12.434 0.911 12.465 730 HE21 GLN 92 1HE2 GLN 92 -14.976 0.203 13.511 731 HE22 GLN 92 2HE2 GLN 92 -15.238 1.069 14.947 732 H SER 93 H SER 93 -12.806 4.938 9.543 733 HA SER 93 HA SER 93 -10.162 6.246 9.193 734 HB2 SER 93 2HB SER 93 -11.269 7.705 7.617 735 HB3 SER 93 1HB SER 93 -11.769 6.052 7.257 736 HG SER 93 HG SER 93 -13.647 6.478 8.548 737 H VAL 94 H VAL 94 -9.818 8.399 9.944 738 HA VAL 94 HA VAL 94 -11.844 9.549 11.781 739 HB VAL 94 HB VAL 94 -9.620 9.965 13.274 740 HG11 VAL 94 1HG1 VAL 94 -11.582 9.120 14.294 741 HG12 VAL 94 2HG1 VAL 94 -10.386 7.848 14.546 742 HG13 VAL 94 3HG1 VAL 94 -11.595 7.682 13.273 743 HG21 VAL 94 1HG2 VAL 94 -9.254 7.106 12.418 744 HG22 VAL 94 2HG2 VAL 94 -8.105 8.186 13.209 745 HG23 VAL 94 3HG2 VAL 94 -8.474 8.392 11.497 746 HA PRO 95 HA PRO 95 -10.673 13.432 10.083 747 HB2 PRO 95 2HB PRO 95 -10.151 14.853 12.479 748 HB3 PRO 95 1HB PRO 95 -11.693 14.771 11.611 749 HG2 PRO 95 2HG PRO 95 -10.795 13.296 14.004 750 HG3 PRO 95 1HG PRO 95 -12.428 13.765 13.506 751 HD2 PRO 95 2HD PRO 95 -11.546 11.199 13.340 752 HD3 PRO 95 1HD PRO 95 -12.717 11.877 12.186 753 H ASP 96 H ASP 96 -8.609 12.107 12.608 754 HA ASP 96 HA ASP 96 -6.228 12.720 11.031 755 HB2 ASP 96 2HB ASP 96 -6.810 14.801 12.501 756 HB3 ASP 96 1HB ASP 96 -6.238 13.793 13.832 757 H ASP 97 H ASP 97 -4.457 11.415 11.718 758 HA ASP 97 HA ASP 97 -5.228 9.314 13.681 759 HB2 ASP 97 2HB ASP 97 -3.254 9.343 11.393 760 HB3 ASP 97 1HB ASP 97 -3.339 8.041 12.580 761 H ASP 98 H ASP 98 -4.331 9.554 15.653 762 HA ASP 98 HA ASP 98 -2.057 11.286 16.132 763 HB2 ASP 98 2HB ASP 98 -3.466 9.262 17.885 764 HB3 ASP 98 1HB ASP 98 -2.210 10.359 18.453 765 H ARG 99 H ARG 99 -2.563 7.910 15.503 766 HA ARG 99 HA ARG 99 0.271 7.289 16.115 767 HB2 ARG 99 2HB ARG 99 -0.685 4.889 15.526 768 HB3 ARG 99 1HB ARG 99 -0.992 5.608 17.108 769 HG2 ARG 99 2HG ARG 99 -3.171 6.439 16.321 770 HG3 ARG 99 1HG ARG 99 -2.863 5.760 14.722 771 HD2 ARG 99 2HD ARG 99 -4.238 4.170 15.866 772 HD3 ARG 99 1HD ARG 99 -2.608 3.500 15.877 773 HE ARG 99 HE ARG 99 -2.639 3.677 18.221 774 HH11 ARG 99 1HH1 ARG 99 -3.494 4.376 20.193 775 HH12 ARG 99 2HH1 ARG 99 -4.777 5.541 20.202 776 HH21 ARG 99 1HH2 ARG 99 -4.917 5.803 16.746 777 HH22 ARG 99 2HH2 ARG 99 -5.582 6.349 18.250 778 H ALA 100 H ALA 100 -0.423 8.875 13.786 779 HA ALA 100 HA ALA 100 -0.238 7.041 11.493 780 HB1 ALA 100 1HB ALA 100 -1.066 9.755 11.913 781 HB2 ALA 100 2HB ALA 100 -1.246 8.767 10.464 782 HB3 ALA 100 3HB ALA 100 0.209 9.735 10.696 783 H SER 101 H SER 101 1.554 7.023 10.034 784 HA SER 101 HA SER 101 4.077 8.225 11.089 785 HB2 SER 101 2HB SER 101 3.857 5.739 11.588 786 HB3 SER 101 1HB SER 101 3.893 5.469 9.848 787 HG SER 101 HG SER 101 5.859 6.961 11.242 788 H GLU 102 H GLU 102 5.823 8.161 9.287 789 HA GLU 102 HA GLU 102 4.488 8.883 6.714 790 HB2 GLU 102 2HB GLU 102 7.183 9.727 7.809 791 HB3 GLU 102 1HB GLU 102 6.497 10.248 6.270 792 HG2 GLU 102 2HG GLU 102 4.557 11.216 7.492 793 HG3 GLU 102 1HG GLU 102 5.317 10.759 9.017 794 H ILE 103 H ILE 103 5.139 7.923 4.819 795 HA ILE 103 HA ILE 103 7.295 5.856 5.016 796 HB ILE 103 HB ILE 103 4.770 5.750 3.334 797 HG12 ILE 103 2HG1 ILE 103 5.540 4.119 5.772 798 HG13 ILE 103 1HG1 ILE 103 4.421 5.484 5.806 799 HG21 ILE 103 1HG2 ILE 103 6.261 3.278 3.805 800 HG22 ILE 103 2HG2 ILE 103 7.215 4.479 2.939 801 HG23 ILE 103 3HG2 ILE 103 5.664 3.952 2.290 802 HD11 ILE 103 1HD1 ILE 103 3.615 3.778 3.674 803 HD12 ILE 103 2HD1 ILE 103 2.753 4.115 5.176 804 HD13 ILE 103 3HD1 ILE 103 3.881 2.760 5.091 805 H GLU 104 H GLU 104 8.832 5.931 3.395 806 HA GLU 104 HA GLU 104 8.452 8.046 1.308 807 HB2 GLU 104 2HB GLU 104 10.323 8.413 2.936 808 HB3 GLU 104 1HB GLU 104 11.055 6.911 2.371 809 HG2 GLU 104 2HG GLU 104 11.098 7.842 0.059 810 HG3 GLU 104 1HG GLU 104 10.473 9.366 0.691 811 H VAL 105 H VAL 105 8.412 7.361 -0.788 812 HA VAL 105 HA VAL 105 9.571 4.689 -1.408 813 HB VAL 105 HB VAL 105 6.971 5.715 -2.563 814 HG11 VAL 105 1HG1 VAL 105 8.259 4.063 -3.904 815 HG12 VAL 105 2HG1 VAL 105 6.735 3.396 -3.319 816 HG13 VAL 105 3HG1 VAL 105 8.249 2.964 -2.525 817 HG21 VAL 105 1HG2 VAL 105 6.157 5.260 -0.478 818 HG22 VAL 105 2HG2 VAL 105 7.572 4.308 -0.028 819 HG23 VAL 105 3HG2 VAL 105 6.294 3.581 -0.999 820 H ASP 106 H ASP 106 10.847 4.707 -3.217 821 HA ASP 106 HA ASP 106 10.713 7.138 -4.962 822 HB2 ASP 106 2HB ASP 106 13.098 5.421 -4.210 823 HB3 ASP 106 1HB ASP 106 13.140 6.723 -5.402 824 H PHE 107 H PHE 107 10.372 6.765 -7.124 825 HA PHE 107 HA PHE 107 10.508 3.924 -8.038 826 HB2 PHE 107 2HB PHE 107 8.717 6.183 -8.985 827 HB3 PHE 107 1HB PHE 107 8.785 4.580 -9.698 828 HD1 PHE 107 1HD PHE 107 8.095 6.380 -6.507 829 HD2 PHE 107 2HD PHE 107 7.554 2.787 -8.793 830 HE1 PHE 107 1HE PHE 107 6.455 5.564 -4.834 831 HE2 PHE 107 2HE PHE 107 5.919 1.966 -7.118 832 HZ PHE 107 HZ PHE 107 5.367 3.356 -5.141 833 H VAL 108 H VAL 108 11.632 3.509 -9.932 834 HA VAL 108 HA VAL 108 12.847 5.848 -11.334 835 HB VAL 108 HB VAL 108 14.416 3.332 -11.173 836 HG11 VAL 108 1HG1 VAL 108 15.244 5.281 -12.405 837 HG12 VAL 108 2HG1 VAL 108 16.264 4.988 -10.996 838 HG13 VAL 108 3HG1 VAL 108 15.071 6.287 -10.965 839 HG21 VAL 108 1HG2 VAL 108 13.805 5.119 -8.827 840 HG22 VAL 108 2HG2 VAL 108 15.376 4.327 -8.951 841 HG23 VAL 108 3HG2 VAL 108 13.904 3.358 -8.880 842 HA PRO 109 HA PRO 109 10.961 3.449 -14.672 843 HB2 PRO 109 2HB PRO 109 11.564 5.112 -16.738 844 HB3 PRO 109 1HB PRO 109 10.281 5.476 -15.567 845 HG2 PRO 109 2HG PRO 109 13.048 6.542 -15.733 846 HG3 PRO 109 1HG PRO 109 11.541 7.371 -15.316 847 HD2 PRO 109 2HD PRO 109 13.381 6.518 -13.448 848 HD3 PRO 109 1HD PRO 109 11.650 6.734 -13.101 849 H ASN 110 H ASN 110 11.970 1.676 -15.390 850 HA ASN 110 HA ASN 110 14.641 1.942 -16.667 851 HB2 ASN 110 2HB ASN 110 14.541 0.677 -14.444 852 HB3 ASN 110 1HB ASN 110 13.619 -0.549 -15.317 853 HD21 ASN 110 1HD2 ASN 110 15.587 -1.961 -14.790 854 HD22 ASN 110 2HD2 ASN 110 16.922 -1.883 -15.835 855 H GLY 111 H GLY 111 14.432 1.635 -18.838 856 HA2 GLY 111 2HA GLY 111 13.787 0.604 -20.852 857 HA3 GLY 111 1HA GLY 111 13.170 -0.738 -19.887 858 H SER 112 H SER 112 11.476 -0.470 -21.728 859 HA SER 112 HA SER 112 9.573 1.726 -21.341 860 HB2 SER 112 2HB SER 112 8.355 0.752 -23.166 861 HB3 SER 112 1HB SER 112 10.063 0.611 -23.574 862 HG SER 112 HG SER 112 9.283 -1.502 -22.114 863 H GLY 113 H GLY 113 10.168 -1.256 -19.842 864 HA2 GLY 113 2HA GLY 113 7.592 -1.063 -18.415 865 HA3 GLY 113 1HA GLY 113 7.876 -2.570 -19.291 866 H GLY 114 H GLY 114 10.306 -0.628 -17.553 867 HA2 GLY 114 2HA GLY 114 10.509 -2.810 -15.541 868 HA3 GLY 114 1HA GLY 114 11.958 -2.237 -16.361 869 H THR 115 H THR 115 10.462 -1.966 -13.494 870 HA THR 115 HA THR 115 11.513 0.799 -13.133 871 HB THR 115 HB THR 115 8.781 -0.197 -12.320 872 HG1 THR 115 1HG THR 115 8.156 1.201 -13.754 873 HG21 THR 115 1HG2 THR 115 8.635 2.065 -11.146 874 HG22 THR 115 2HG2 THR 115 10.394 2.127 -11.256 875 HG23 THR 115 3HG2 THR 115 9.612 0.840 -10.339 876 H ARG 116 H ARG 116 12.560 1.139 -11.224 877 HA ARG 116 HA ARG 116 12.747 -1.189 -9.364 878 HB2 ARG 116 2HB ARG 116 14.885 -0.345 -10.371 879 HB3 ARG 116 1HB ARG 116 14.579 1.223 -9.618 880 HG2 ARG 116 2HG ARG 116 14.553 0.131 -7.392 881 HG3 ARG 116 1HG ARG 116 14.915 -1.414 -8.160 882 HD2 ARG 116 2HD ARG 116 17.004 -0.412 -9.095 883 HD3 ARG 116 1HD ARG 116 16.659 1.065 -8.194 884 HE ARG 116 HE ARG 116 16.610 -0.813 -6.214 885 HH11 ARG 116 1HH1 ARG 116 18.433 -1.573 -5.113 886 HH12 ARG 116 2HH1 ARG 116 19.978 -1.537 -5.897 887 HH21 ARG 116 1HH2 ARG 116 18.754 -0.158 -8.833 888 HH22 ARG 116 2HH2 ARG 116 20.159 -0.737 -8.002 889 H VAL 117 H VAL 117 11.741 -0.938 -7.394 890 HA VAL 117 HA VAL 117 11.077 1.862 -6.558 891 HB VAL 117 HB VAL 117 9.422 -0.629 -6.113 892 HG11 VAL 117 1HG1 VAL 117 9.209 1.064 -4.331 893 HG12 VAL 117 2HG1 VAL 117 7.734 0.974 -5.295 894 HG13 VAL 117 3HG1 VAL 117 8.871 2.298 -5.547 895 HG21 VAL 117 1HG2 VAL 117 9.076 -0.179 -8.369 896 HG22 VAL 117 2HG2 VAL 117 9.372 1.549 -8.173 897 HG23 VAL 117 3HG2 VAL 117 7.847 0.847 -7.633 898 H GLU 118 H GLU 118 11.494 2.411 -4.490 899 HA GLU 118 HA GLU 118 12.515 0.266 -2.666 900 HB2 GLU 118 2HB GLU 118 13.325 3.198 -2.759 901 HB3 GLU 118 1HB GLU 118 13.973 1.982 -1.659 902 HG2 GLU 118 2HG GLU 118 14.842 0.709 -3.595 903 HG3 GLU 118 1HG GLU 118 14.222 1.950 -4.682 904 H LEU 119 H LEU 119 10.721 -0.073 -1.359 905 HA LEU 119 HA LEU 119 9.296 2.344 -0.352 906 HB2 LEU 119 2HB LEU 119 7.993 0.546 -1.565 907 HB3 LEU 119 1HB LEU 119 8.373 -0.534 -0.235 908 HG LEU 119 HG LEU 119 7.213 2.111 0.494 909 HD11 LEU 119 1HD1 LEU 119 5.871 1.388 -1.479 910 HD12 LEU 119 2HD1 LEU 119 4.934 1.364 0.015 911 HD13 LEU 119 3HD1 LEU 119 5.548 -0.144 -0.665 912 HD21 LEU 119 1HD2 LEU 119 6.831 -0.758 1.416 913 HD22 LEU 119 2HD2 LEU 119 5.993 0.626 2.114 914 HD23 LEU 119 3HD2 LEU 119 7.745 0.501 2.245 915 H ALA 120 H ALA 120 9.626 2.919 1.730 916 HA ALA 120 HA ALA 120 10.543 0.817 3.653 917 HB1 ALA 120 1HB ALA 120 12.172 2.810 2.661 918 HB2 ALA 120 2HB ALA 120 12.412 1.976 4.196 919 HB3 ALA 120 3HB ALA 120 11.568 3.523 4.157 920 H HIS 121 H HIS 121 9.469 0.895 5.607 921 HA HIS 121 HA HIS 121 7.740 3.287 6.114 922 HB2 HIS 121 2HB HIS 121 6.038 1.922 6.976 923 HB3 HIS 121 1HB HIS 121 6.617 0.987 5.602 924 HD1 HIS 121 1HD HIS 121 7.050 1.185 9.376 925 HD2 HIS 121 2HD HIS 121 7.552 -1.544 6.266 926 HE1 HIS 121 1HE HIS 121 7.498 -1.065 10.463 927 HE2 HIS 121 2HE HIS 121 7.843 -2.723 8.574 928 H VAL 122 H VAL 122 8.225 4.356 7.974 929 HA VAL 122 HA VAL 122 9.912 2.917 9.982 930 HB VAL 122 HB VAL 122 11.104 5.081 10.318 931 HG11 VAL 122 1HG1 VAL 122 11.426 4.698 7.418 932 HG12 VAL 122 2HG1 VAL 122 11.463 3.195 8.339 933 HG13 VAL 122 3HG1 VAL 122 12.601 4.489 8.716 934 HG21 VAL 122 1HG2 VAL 122 10.376 6.993 9.342 935 HG22 VAL 122 2HG2 VAL 122 8.914 6.108 8.904 936 HG23 VAL 122 3HG2 VAL 122 10.255 6.218 7.763 937 H LYS 123 H LYS 123 9.799 3.719 12.145 938 HA LYS 123 HA LYS 123 8.592 4.323 14.051 939 HB2 LYS 123 2HB LYS 123 8.009 6.587 12.138 940 HB3 LYS 123 1HB LYS 123 7.401 6.587 13.794 941 HG2 LYS 123 2HG LYS 123 9.482 7.773 13.848 942 HG3 LYS 123 1HG LYS 123 9.801 6.186 14.548 943 HD2 LYS 123 2HD LYS 123 10.851 5.404 12.563 944 HD3 LYS 123 1HD LYS 123 10.231 6.754 11.611 945 HE2 LYS 123 2HE LYS 123 12.207 7.005 13.896 946 HE3 LYS 123 1HE LYS 123 12.635 7.033 12.186 947 HZ1 LYS 123 1HZ LYS 123 12.411 9.267 13.038 948 HZ2 LYS 123 2HZ LYS 123 10.829 8.945 13.568 949 HZ3 LYS 123 3HZ LYS 123 11.186 8.959 11.906 950 H LEU 124 H LEU 124 7.278 2.550 12.075 951 HA LEU 124 HA LEU 124 4.474 3.283 11.978 952 HB2 LEU 124 2HB LEU 124 5.890 1.510 10.588 953 HB3 LEU 124 1HB LEU 124 5.347 0.434 11.873 954 HG LEU 124 HG LEU 124 3.012 1.636 11.362 955 HD11 LEU 124 1HD1 LEU 124 4.556 1.747 8.753 956 HD12 LEU 124 2HD1 LEU 124 3.882 3.119 9.634 957 HD13 LEU 124 3HD1 LEU 124 2.807 1.935 8.889 958 HD21 LEU 124 1HD2 LEU 124 3.488 -0.790 11.270 959 HD22 LEU 124 2HD2 LEU 124 4.196 -0.583 9.669 960 HD23 LEU 124 3HD2 LEU 124 2.477 -0.281 9.918 961 H HIS 125 H HIS 125 6.541 1.329 14.064 962 HA HIS 125 HA HIS 125 4.724 0.070 15.748 963 HB2 HIS 125 2HB HIS 125 7.166 -0.135 16.002 964 HB3 HIS 125 1HB HIS 125 7.236 1.521 16.596 965 HD1 HIS 125 1HD HIS 125 5.161 -1.570 17.480 966 HD2 HIS 125 2HD HIS 125 7.242 1.524 19.350 967 HE1 HIS 125 1HE HIS 125 4.923 -1.950 19.975 968 HE2 HIS 125 2HE HIS 125 6.185 -0.072 21.122 969 H ARG 126 H ARG 126 5.015 3.386 15.183 970 HA ARG 126 HA ARG 126 4.382 4.624 17.590 971 HB2 ARG 126 2HB ARG 126 4.661 5.777 15.382 972 HB3 ARG 126 1HB ARG 126 3.040 5.234 14.954 973 HG2 ARG 126 2HG ARG 126 2.167 6.387 16.996 974 HG3 ARG 126 1HG ARG 126 3.785 7.029 17.276 975 HD2 ARG 126 2HD ARG 126 2.138 7.487 14.772 976 HD3 ARG 126 1HD ARG 126 2.361 8.658 16.071 977 HE ARG 126 HE ARG 126 4.854 7.663 14.881 978 HH11 ARG 126 1HH1 ARG 126 6.095 9.244 13.848 979 HH12 ARG 126 2HH1 ARG 126 5.396 10.794 13.515 980 HH21 ARG 126 1HH2 ARG 126 2.321 10.000 14.903 981 HH22 ARG 126 2HH2 ARG 126 3.259 11.222 14.112 982 H HIS 127 H HIS 127 2.259 2.649 15.539 983 HA HIS 127 HA HIS 127 -0.117 3.314 17.084 984 HB2 HIS 127 2HB HIS 127 -0.911 1.050 15.944 985 HB3 HIS 127 1HB HIS 127 -0.794 2.539 15.020 986 HD1 HIS 127 1HD HIS 127 2.167 0.397 16.023 987 HD2 HIS 127 2HD HIS 127 -0.006 1.404 12.613 988 HE1 HIS 127 1HE HIS 127 3.417 -0.575 14.047 989 HE2 HIS 127 2HE HIS 127 2.118 0.046 11.970 990 H GLY 128 H GLY 128 2.527 1.164 17.536 991 HA2 GLY 128 2HA GLY 128 2.973 0.030 19.597 992 HA3 GLY 128 1HA GLY 128 1.272 0.206 20.029 993 H ASP 129 H ASP 129 1.585 -2.149 20.606 994 HA ASP 129 HA ASP 129 1.983 -4.094 18.505 995 HB2 ASP 129 2HB ASP 129 1.273 -5.736 20.176 996 HB3 ASP 129 1HB ASP 129 2.387 -4.582 20.908 997 H GLY 130 H GLY 130 0.330 -5.576 17.693 998 HA2 GLY 130 2HA GLY 130 -1.946 -6.180 17.196 999 HA3 GLY 130 1HA GLY 130 -2.481 -4.661 17.930 1000 H ALA 131 H ALA 131 -0.084 -3.482 16.295 1001 HA ALA 131 HA ALA 131 -1.636 -2.379 14.181 1002 HB1 ALA 131 1HB ALA 131 0.510 -1.514 13.362 1003 HB2 ALA 131 2HB ALA 131 1.371 -2.595 14.457 1004 HB3 ALA 131 3HB ALA 131 0.368 -1.300 15.105 1005 H TRP 132 H TRP 132 0.690 -5.099 14.248 1006 HA TRP 132 HA TRP 132 0.843 -5.542 11.470 1007 HB2 TRP 132 2HB TRP 132 2.153 -6.822 13.193 1008 HB3 TRP 132 1HB TRP 132 0.688 -7.740 13.555 1009 HD1 TRP 132 HD TRP 132 -0.209 -9.410 11.713 1010 HE1 TRP 132 1HE TRP 132 0.904 -10.475 9.648 1011 HE3 TRP 132 3HE TRP 132 3.941 -6.427 11.284 1012 HZ2 TRP 132 2HZ TRP 132 3.227 -10.117 8.034 1013 HZ3 TRP 132 3HZ TRP 132 5.575 -6.825 9.472 1014 HH2 TRP 132 HH TRP 132 5.227 -8.664 7.848 1015 H ASN 133 H ASN 133 -1.707 -6.331 13.768 1016 HA ASN 133 HA ASN 133 -3.279 -8.057 12.158 1017 HB2 ASN 133 2HB ASN 133 -3.674 -7.291 14.594 1018 HB3 ASN 133 1HB ASN 133 -4.445 -5.871 13.891 1019 HD21 ASN 133 1HD2 ASN 133 -6.478 -6.779 14.955 1020 HD22 ASN 133 2HD2 ASN 133 -7.352 -7.976 14.129 1021 H ILE 134 H ILE 134 -3.094 -4.520 12.298 1022 HA ILE 134 HA ILE 134 -5.105 -3.947 10.366 1023 HB ILE 134 HB ILE 134 -2.525 -2.470 10.930 1024 HG12 ILE 134 2HG1 ILE 134 -5.305 -2.044 12.065 1025 HG13 ILE 134 1HG1 ILE 134 -3.993 -2.853 12.926 1026 HG21 ILE 134 1HG2 ILE 134 -3.179 -1.073 9.312 1027 HG22 ILE 134 2HG2 ILE 134 -4.671 -0.768 10.201 1028 HG23 ILE 134 3HG2 ILE 134 -4.603 -2.068 9.011 1029 HD11 ILE 134 1HD1 ILE 134 -4.104 0.028 12.008 1030 HD12 ILE 134 2HD1 ILE 134 -2.608 -0.748 12.531 1031 HD13 ILE 134 3HD1 ILE 134 -3.953 -0.576 13.659 1032 H HIS 135 H HIS 135 -1.631 -4.565 10.108 1033 HA HIS 135 HA HIS 135 -1.432 -4.331 7.261 1034 HB2 HIS 135 2HB HIS 135 0.607 -4.295 8.515 1035 HB3 HIS 135 1HB HIS 135 0.211 -5.812 9.325 1036 HD1 HIS 135 1HD HIS 135 -0.617 -5.825 5.773 1037 HD2 HIS 135 2HD HIS 135 2.705 -6.791 8.090 1038 HE1 HIS 135 1HE HIS 135 0.881 -7.213 4.290 1039 HE2 HIS 135 2HE HIS 135 2.931 -7.802 5.686 1040 H LYS 136 H LYS 136 -2.345 -6.978 9.415 1041 HA LYS 136 HA LYS 136 -2.186 -9.140 7.624 1042 HB2 LYS 136 2HB LYS 136 -2.883 -9.282 10.045 1043 HB3 LYS 136 1HB LYS 136 -4.457 -8.671 9.562 1044 HG2 LYS 136 2HG LYS 136 -4.713 -10.566 8.015 1045 HG3 LYS 136 1HG LYS 136 -3.160 -11.196 8.545 1046 HD2 LYS 136 2HD LYS 136 -4.055 -11.278 10.885 1047 HD3 LYS 136 1HD LYS 136 -5.633 -10.808 10.251 1048 HE2 LYS 136 2HE LYS 136 -4.227 -13.407 10.072 1049 HE3 LYS 136 1HE LYS 136 -5.956 -13.060 10.085 1050 HZ1 LYS 136 1HZ LYS 136 -5.082 -13.933 7.940 1051 HZ2 LYS 136 2HZ LYS 136 -4.187 -12.498 7.771 1052 HZ3 LYS 136 3HZ LYS 136 -5.885 -12.444 7.810 1053 H ALA 137 H ALA 137 -4.603 -6.568 7.879 1054 HA ALA 137 HA ALA 137 -6.424 -7.692 5.948 1055 HB1 ALA 137 1HB ALA 137 -6.964 -5.142 5.610 1056 HB2 ALA 137 2HB ALA 137 -5.905 -4.932 7.001 1057 HB3 ALA 137 3HB ALA 137 -7.362 -5.912 7.146 1058 H LEU 138 H LEU 138 -3.652 -5.474 5.697 1059 HA LEU 138 HA LEU 138 -3.852 -5.128 2.844 1060 HB2 LEU 138 2HB LEU 138 -1.437 -4.897 4.663 1061 HB3 LEU 138 1HB LEU 138 -1.512 -4.328 3.000 1062 HG LEU 138 HG LEU 138 -3.281 -3.373 5.270 1063 HD11 LEU 138 1HD1 LEU 138 -2.023 -1.323 5.163 1064 HD12 LEU 138 2HD1 LEU 138 -1.152 -1.866 3.728 1065 HD13 LEU 138 3HD1 LEU 138 -0.851 -2.636 5.286 1066 HD21 LEU 138 1HD2 LEU 138 -3.246 -2.926 2.308 1067 HD22 LEU 138 2HD2 LEU 138 -3.666 -1.566 3.350 1068 HD23 LEU 138 3HD2 LEU 138 -4.623 -3.046 3.405 1069 H ASP 139 H ASP 139 -2.764 -7.689 4.857 1070 HA ASP 139 HA ASP 139 -1.943 -9.803 4.386 1071 HB2 ASP 139 2HB ASP 139 -2.884 -9.013 1.639 1072 HB3 ASP 139 1HB ASP 139 -2.190 -10.588 1.991 1073 H GLY 140 H GLY 140 0.172 -9.898 4.761 1074 HA2 GLY 140 2HA GLY 140 2.030 -9.059 2.575 1075 HA3 GLY 140 1HA GLY 140 2.431 -8.813 4.274 1076 HA PRO 141 HA PRO 141 2.275 -13.664 3.246 1077 HB2 PRO 141 2HB PRO 141 3.441 -13.337 0.525 1078 HB3 PRO 141 1HB PRO 141 2.238 -14.504 1.102 1079 HG2 PRO 141 2HG PRO 141 1.556 -12.427 -0.424 1080 HG3 PRO 141 1HG PRO 141 0.498 -13.034 0.862 1081 HD2 PRO 141 2HD PRO 141 2.170 -10.559 0.811 1082 HD3 PRO 141 1HD PRO 141 0.625 -10.862 1.635 1083 H SER 142 H SER 142 4.207 -15.019 3.391 1084 HA SER 142 HA SER 142 6.597 -13.439 4.036 1085 HB2 SER 142 2HB SER 142 6.785 -15.057 5.580 1086 HB3 SER 142 1HB SER 142 5.493 -15.981 4.821 1087 HG SER 142 HG SER 142 7.572 -17.049 4.873 1088 HA PRO 143 HA PRO 143 8.506 -16.122 0.589 1089 HB2 PRO 143 2HB PRO 143 6.921 -17.739 -0.920 1090 HB3 PRO 143 1HB PRO 143 7.631 -18.255 0.624 1091 HG2 PRO 143 2HG PRO 143 4.859 -17.399 0.007 1092 HG3 PRO 143 1HG PRO 143 5.441 -18.620 1.149 1093 HD2 PRO 143 2HD PRO 143 4.629 -16.054 1.849 1094 HD3 PRO 143 1HD PRO 143 5.668 -17.095 2.843 1095 H GLY 144 H GLY 144 5.336 -16.057 -1.047 1096 HA2 GLY 144 2HA GLY 144 6.329 -14.672 -3.332 1097 HA3 GLY 144 1HA GLY 144 4.620 -14.811 -2.908 1098 H GLU 145 H GLU 145 4.975 -13.551 -0.297 1099 HA GLU 145 HA GLU 145 4.766 -11.404 0.607 1100 HB2 GLU 145 2HB GLU 145 7.010 -10.888 -1.340 1101 HB3 GLU 145 1HB GLU 145 6.539 -9.808 -0.040 1102 HG2 GLU 145 2HG GLU 145 6.948 -11.711 1.569 1103 HG3 GLU 145 1HG GLU 145 7.659 -12.599 0.218 1104 H THR 146 H THR 146 4.701 -8.924 -0.213 1105 HA THR 146 HA THR 146 2.359 -8.634 -1.789 1106 HB THR 146 HB THR 146 4.518 -6.546 -1.501 1107 HG1 THR 146 1HG THR 146 4.102 -6.469 0.532 1108 HG21 THR 146 1HG2 THR 146 1.951 -6.564 -2.678 1109 HG22 THR 146 2HG2 THR 146 2.996 -5.170 -2.402 1110 HG23 THR 146 3HG2 THR 146 1.810 -5.640 -1.183 1111 H LEU 147 H LEU 147 5.766 -8.485 -2.639 1112 HA LEU 147 HA LEU 147 5.560 -7.474 -5.257 1113 HB2 LEU 147 2HB LEU 147 7.528 -9.563 -4.299 1114 HB3 LEU 147 1HB LEU 147 7.766 -8.382 -5.590 1115 HG LEU 147 HG LEU 147 7.012 -6.848 -3.377 1116 HD11 LEU 147 1HD1 LEU 147 8.712 -7.552 -1.671 1117 HD12 LEU 147 2HD1 LEU 147 8.947 -9.040 -2.588 1118 HD13 LEU 147 3HD1 LEU 147 7.382 -8.693 -1.854 1119 HD21 LEU 147 1HD2 LEU 147 8.717 -6.347 -5.146 1120 HD22 LEU 147 2HD2 LEU 147 9.816 -7.463 -4.340 1121 HD23 LEU 147 3HD2 LEU 147 9.293 -5.995 -3.515 1122 H ALA 148 H ALA 148 4.955 -10.730 -4.057 1123 HA ALA 148 HA ALA 148 5.088 -12.071 -6.574 1124 HB1 ALA 148 1HB ALA 148 5.037 -13.587 -4.852 1125 HB2 ALA 148 2HB ALA 148 3.332 -13.610 -5.306 1126 HB3 ALA 148 3HB ALA 148 3.863 -12.652 -3.926 1127 H ARG 149 H ARG 149 2.178 -10.900 -4.834 1128 HA ARG 149 HA ARG 149 0.466 -11.638 -7.021 1129 HB2 ARG 149 2HB ARG 149 -1.265 -10.335 -5.752 1130 HB3 ARG 149 1HB ARG 149 -0.456 -11.583 -4.812 1131 HG2 ARG 149 2HG ARG 149 -0.009 -9.971 -3.297 1132 HG3 ARG 149 1HG ARG 149 1.161 -9.346 -4.454 1133 HD2 ARG 149 2HD ARG 149 -0.205 -7.478 -4.003 1134 HD3 ARG 149 1HD ARG 149 -0.866 -8.107 -5.511 1135 HE ARG 149 HE ARG 149 -2.394 -9.406 -3.665 1136 HH11 ARG 149 1HH1 ARG 149 -4.246 -8.555 -2.687 1137 HH12 ARG 149 2HH1 ARG 149 -4.412 -6.838 -2.524 1138 HH21 ARG 149 1HH2 ARG 149 -1.370 -6.135 -4.032 1139 HH22 ARG 149 2HH2 ARG 149 -2.784 -5.468 -3.284 1140 H PHE 150 H PHE 150 1.389 -8.352 -5.856 1141 HA PHE 150 HA PHE 150 0.082 -7.127 -8.136 1142 HB2 PHE 150 2HB PHE 150 0.213 -5.296 -6.860 1143 HB3 PHE 150 1HB PHE 150 1.062 -6.260 -5.647 1144 HD1 PHE 150 1HD PHE 150 3.588 -6.595 -5.969 1145 HD2 PHE 150 2HD PHE 150 1.337 -3.544 -7.969 1146 HE1 PHE 150 1HE PHE 150 5.669 -5.349 -6.410 1147 HE2 PHE 150 2HE PHE 150 3.425 -2.283 -8.407 1148 HZ PHE 150 HZ PHE 150 5.596 -3.186 -7.628 1149 H ALA 151 H ALA 151 3.510 -7.852 -7.405 1150 HA ALA 151 HA ALA 151 4.471 -6.365 -9.685 1151 HB1 ALA 151 1HB ALA 151 6.095 -8.649 -8.717 1152 HB2 ALA 151 2HB ALA 151 5.715 -7.397 -7.533 1153 HB3 ALA 151 3HB ALA 151 6.565 -6.978 -9.015 1154 H ASN 152 H ASN 152 3.759 -9.825 -9.209 1155 HA ASN 152 HA ASN 152 4.687 -10.645 -11.792 1156 HB2 ASN 152 2HB ASN 152 3.817 -12.731 -11.289 1157 HB3 ASN 152 1HB ASN 152 3.969 -12.045 -9.672 1158 HD21 ASN 152 1HD2 ASN 152 1.891 -10.788 -8.927 1159 HD22 ASN 152 2HD2 ASN 152 0.398 -11.489 -9.350 1160 H VAL 153 H VAL 153 1.466 -9.617 -10.683 1161 HA VAL 153 HA VAL 153 0.147 -10.162 -13.176 1162 HB VAL 153 HB VAL 153 -1.594 -8.615 -12.294 1163 HG11 VAL 153 1HG1 VAL 153 -0.493 -10.969 -10.910 1164 HG12 VAL 153 2HG1 VAL 153 -2.155 -10.629 -11.393 1165 HG13 VAL 153 3HG1 VAL 153 -1.518 -9.958 -9.892 1166 HG21 VAL 153 1HG2 VAL 153 -1.162 -7.803 -9.921 1167 HG22 VAL 153 2HG2 VAL 153 -0.272 -6.965 -11.188 1168 HG23 VAL 153 3HG2 VAL 153 0.528 -8.185 -10.204 1169 H ILE 154 H ILE 154 1.821 -7.306 -11.911 1170 HA ILE 154 HA ILE 154 0.990 -5.515 -13.956 1171 HB ILE 154 HB ILE 154 3.404 -5.591 -12.166 1172 HG12 ILE 154 2HG1 ILE 154 1.091 -3.647 -12.361 1173 HG13 ILE 154 1HG1 ILE 154 1.135 -5.008 -11.247 1174 HG21 ILE 154 1HG2 ILE 154 3.694 -3.180 -13.045 1175 HG22 ILE 154 2HG2 ILE 154 2.732 -3.719 -14.420 1176 HG23 ILE 154 3HG2 ILE 154 4.270 -4.501 -14.060 1177 HD11 ILE 154 1HD1 ILE 154 1.890 -2.940 -10.135 1178 HD12 ILE 154 2HD1 ILE 154 3.161 -2.758 -11.346 1179 HD13 ILE 154 3HD1 ILE 154 3.195 -4.124 -10.231 1180 HBC 969 201 HBC PDM 155 6.078 -9.225 3.720 1181 HBD 969 201 HBD PDM 155 7.372 -10.149 2.919 1182 HBE 969 201 HBE PDM 155 5.845 -9.830 2.062 1183 HBA 969 201 HBA PDM 155 7.584 -7.546 3.029 1184 HBB 969 201 HBB PDM 155 7.934 -8.359 1.488 1185 HA0 969 201 0HA PDM 155 4.251 -8.488 1.729 1186 HAY 969 201 HAY PDM 155 4.048 -6.760 2.108 1187 HAZ 969 201 HAZ PDM 155 4.874 -7.836 3.262 1188 HBF 969 201 HBF PDM 155 6.847 -8.102 -0.125 1189 HAQ 969 201 HAQ PDM 155 6.114 -5.933 -4.595 1190 HAL 969 201 HAL PDM 155 7.432 -4.473 -6.488 1191 HAM 969 201 HAM PDM 155 9.190 -2.731 -6.578 1192 HAN 969 201 HAN PDM 155 10.138 -1.828 -4.480 1193 HAE 969 201 HAE PDM 155 10.380 -1.848 0.328 1194 HAS 969 201 HAS PDM 155 9.983 -3.591 3.379 1195 HAT 969 201 HAT PDM 155 9.259 -1.965 3.306 1196 HAU 969 201 HAU PDM 155 10.802 -2.289 2.483 1197 HAV 969 201 HAV PDM 155 6.164 -5.752 3.782 Start of MODEL 11 1 H1 MET 1 1HT MET 1 4.427 -13.602 10.251 2 H2 MET 1 2HT MET 1 5.227 -13.122 11.671 3 H3 MET 1 3HT MET 1 5.654 -12.434 10.178 4 HA MET 1 HA MET 1 4.115 -10.868 10.356 5 HB2 MET 1 2HB MET 1 1.715 -11.586 10.938 6 HB3 MET 1 1HB MET 1 2.407 -12.269 9.467 7 HG2 MET 1 2HG MET 1 3.060 -13.882 11.801 8 HG3 MET 1 1HG MET 1 1.316 -13.706 11.601 9 HE1 MET 1 1HE MET 1 1.921 -16.490 11.446 10 HE2 MET 1 2HE MET 1 1.244 -16.991 9.899 11 HE3 MET 1 3HE MET 1 0.407 -15.781 10.868 12 HA PRO 2 HA PRO 2 4.889 -11.105 14.980 13 HB2 PRO 2 2HB PRO 2 6.344 -8.595 14.500 14 HB3 PRO 2 1HB PRO 2 6.894 -10.077 15.304 15 HG2 PRO 2 2HG PRO 2 7.790 -9.293 12.881 16 HG3 PRO 2 1HG PRO 2 7.680 -10.991 13.375 17 HD2 PRO 2 2HD PRO 2 5.888 -9.439 11.548 18 HD3 PRO 2 1HD PRO 2 6.359 -11.154 11.484 19 H GLU 3 H GLU 3 3.752 -9.891 16.523 20 HA GLU 3 HA GLU 3 1.596 -8.237 15.632 21 HB2 GLU 3 2HB GLU 3 2.850 -8.540 18.379 22 HB3 GLU 3 1HB GLU 3 1.319 -7.729 18.060 23 HG2 GLU 3 2HG GLU 3 0.433 -9.828 17.071 24 HG3 GLU 3 1HG GLU 3 1.950 -10.634 17.472 25 H GLU 4 H GLU 4 4.889 -7.561 16.588 26 HA GLU 4 HA GLU 4 4.394 -4.653 16.728 27 HB2 GLU 4 2HB GLU 4 5.975 -5.806 18.299 28 HB3 GLU 4 1HB GLU 4 7.005 -6.157 16.913 29 HG2 GLU 4 2HG GLU 4 7.140 -3.716 16.430 30 HG3 GLU 4 1HG GLU 4 6.200 -3.405 17.892 31 H ILE 5 H ILE 5 5.096 -3.193 15.164 32 HA ILE 5 HA ILE 5 6.200 -4.393 12.658 33 HB ILE 5 HB ILE 5 4.835 -1.799 12.430 34 HG12 ILE 5 2HG1 ILE 5 3.425 -2.929 14.149 35 HG13 ILE 5 1HG1 ILE 5 2.589 -2.662 12.629 36 HG21 ILE 5 1HG2 ILE 5 5.566 -3.023 10.481 37 HG22 ILE 5 2HG2 ILE 5 3.803 -2.984 10.505 38 HG23 ILE 5 3HG2 ILE 5 4.656 -4.445 10.994 39 HD11 ILE 5 1HD1 ILE 5 2.670 -5.062 13.900 40 HD12 ILE 5 2HD1 ILE 5 4.051 -5.212 12.814 41 HD13 ILE 5 3HD1 ILE 5 2.449 -4.873 12.161 42 HA PRO 6 HA PRO 6 9.298 -1.311 14.072 43 HB2 PRO 6 2HB PRO 6 11.509 -2.756 13.373 44 HB3 PRO 6 1HB PRO 6 10.656 -2.973 14.914 45 HG2 PRO 6 2HG PRO 6 10.651 -4.669 12.499 46 HG3 PRO 6 1HG PRO 6 10.432 -5.113 14.198 47 HD2 PRO 6 2HD PRO 6 8.383 -4.839 12.285 48 HD3 PRO 6 1HD PRO 6 8.161 -4.942 14.045 49 H ASP 7 H ASP 7 11.068 -0.198 12.781 50 HA ASP 7 HA ASP 7 10.134 0.386 10.130 51 HB2 ASP 7 2HB ASP 7 12.180 1.784 9.984 52 HB3 ASP 7 1HB ASP 7 11.300 2.063 11.486 53 H VAL 8 H VAL 8 10.581 -0.658 8.271 54 HA VAL 8 HA VAL 8 13.144 -2.138 8.025 55 HB VAL 8 HB VAL 8 11.432 -3.810 8.658 56 HG11 VAL 8 1HG1 VAL 8 9.419 -2.754 7.830 57 HG12 VAL 8 2HG1 VAL 8 9.611 -4.292 6.995 58 HG13 VAL 8 3HG1 VAL 8 10.022 -2.789 6.175 59 HG21 VAL 8 1HG2 VAL 8 13.297 -4.073 6.776 60 HG22 VAL 8 2HG2 VAL 8 11.885 -4.284 5.741 61 HG23 VAL 8 3HG2 VAL 8 12.147 -5.368 7.107 62 H ARG 9 H ARG 9 14.017 -2.023 5.937 63 HA ARG 9 HA ARG 9 12.373 -0.517 3.932 64 HB2 ARG 9 2HB ARG 9 14.222 0.845 4.866 65 HB3 ARG 9 1HB ARG 9 15.372 -0.390 4.347 66 HG2 ARG 9 2HG ARG 9 14.730 -0.058 2.013 67 HG3 ARG 9 1HG ARG 9 13.500 1.110 2.493 68 HD2 ARG 9 2HD ARG 9 15.425 2.369 1.783 69 HD3 ARG 9 1HD ARG 9 15.352 2.483 3.542 70 HE ARG 9 HE ARG 9 17.369 1.257 3.648 71 HH11 ARG 9 1HH1 ARG 9 19.109 0.167 2.704 72 HH12 ARG 9 2HH1 ARG 9 19.019 -0.304 1.040 73 HH21 ARG 9 1HH2 ARG 9 15.844 1.007 0.565 74 HH22 ARG 9 2HH2 ARG 9 17.171 0.172 -0.171 75 H LYS 10 H LYS 10 12.063 -1.584 2.051 76 HA LYS 10 HA LYS 10 14.093 -3.588 1.198 77 HB2 LYS 10 2HB LYS 10 11.098 -4.064 1.257 78 HB3 LYS 10 1HB LYS 10 12.292 -5.161 0.563 79 HG2 LYS 10 2HG LYS 10 13.398 -5.302 2.797 80 HG3 LYS 10 1HG LYS 10 12.101 -4.311 3.466 81 HD2 LYS 10 2HD LYS 10 10.452 -6.019 2.680 82 HD3 LYS 10 1HD LYS 10 11.801 -7.031 2.161 83 HE2 LYS 10 2HE LYS 10 12.463 -6.330 4.776 84 HE3 LYS 10 1HE LYS 10 10.724 -6.620 4.843 85 HZ1 LYS 10 1HZ LYS 10 11.037 -8.789 4.595 86 HZ2 LYS 10 2HZ LYS 10 12.697 -8.521 4.831 87 HZ3 LYS 10 3HZ LYS 10 12.058 -8.575 3.259 88 H SER 11 H SER 11 13.962 -4.039 -1.137 89 HA SER 11 HA SER 11 12.257 -2.286 -2.758 90 HB2 SER 11 2HB SER 11 14.056 -1.109 -3.833 91 HB3 SER 11 1HB SER 11 14.214 -0.883 -2.090 92 HG SER 11 HG SER 11 15.475 -3.118 -3.086 93 H VAL 12 H VAL 12 12.243 -2.897 -4.978 94 HA VAL 12 HA VAL 12 13.926 -5.140 -5.846 95 HB VAL 12 HB VAL 12 10.975 -5.437 -5.349 96 HG11 VAL 12 1HG1 VAL 12 11.224 -6.265 -7.561 97 HG12 VAL 12 2HG1 VAL 12 11.340 -7.693 -6.532 98 HG13 VAL 12 3HG1 VAL 12 12.801 -6.967 -7.201 99 HG21 VAL 12 1HG2 VAL 12 12.275 -6.142 -3.474 100 HG22 VAL 12 2HG2 VAL 12 13.474 -6.917 -4.511 101 HG23 VAL 12 3HG2 VAL 12 11.867 -7.621 -4.343 102 H VAL 13 H VAL 13 13.678 -5.566 -8.138 103 HA VAL 13 HA VAL 13 12.540 -3.218 -9.564 104 HB VAL 13 HB VAL 13 14.494 -5.308 -10.566 105 HG11 VAL 13 1HG1 VAL 13 13.280 -2.801 -11.708 106 HG12 VAL 13 2HG1 VAL 13 13.475 -4.380 -12.467 107 HG13 VAL 13 3HG1 VAL 13 14.875 -3.333 -12.238 108 HG21 VAL 13 1HG2 VAL 13 15.357 -2.513 -10.147 109 HG22 VAL 13 2HG2 VAL 13 16.208 -4.017 -9.794 110 HG23 VAL 13 3HG2 VAL 13 15.000 -3.401 -8.666 111 H VAL 14 H VAL 14 10.850 -3.498 -10.936 112 HA VAL 14 HA VAL 14 10.040 -6.293 -11.605 113 HB VAL 14 HB VAL 14 8.559 -5.541 -9.841 114 HG11 VAL 14 1HG1 VAL 14 8.709 -3.224 -9.710 115 HG12 VAL 14 2HG1 VAL 14 7.142 -3.402 -10.501 116 HG13 VAL 14 3HG1 VAL 14 8.572 -3.012 -11.456 117 HG21 VAL 14 1HG2 VAL 14 6.426 -5.679 -10.983 118 HG22 VAL 14 2HG2 VAL 14 7.567 -6.695 -11.862 119 HG23 VAL 14 3HG2 VAL 14 7.138 -5.103 -12.488 120 H ALA 15 H ALA 15 8.736 -6.428 -13.595 121 HA ALA 15 HA ALA 15 9.726 -4.615 -15.636 122 HB1 ALA 15 1HB ALA 15 8.727 -6.061 -17.176 123 HB2 ALA 15 2HB ALA 15 7.409 -6.472 -16.079 124 HB3 ALA 15 3HB ALA 15 9.018 -7.147 -15.817 125 H ALA 16 H ALA 16 8.895 -2.495 -15.152 126 HA ALA 16 HA ALA 16 6.165 -2.019 -15.994 127 HB1 ALA 16 1HB ALA 16 6.679 -1.396 -13.088 128 HB2 ALA 16 2HB ALA 16 6.013 -2.955 -13.574 129 HB3 ALA 16 3HB ALA 16 5.137 -1.469 -13.942 130 H SER 17 H SER 17 5.650 0.330 -15.823 131 HA SER 17 HA SER 17 8.150 1.949 -15.845 132 HB2 SER 17 2HB SER 17 5.436 2.550 -17.064 133 HB3 SER 17 1HB SER 17 6.871 3.560 -17.205 134 HG SER 17 HG SER 17 7.455 2.330 -18.793 135 H VAL 18 H VAL 18 8.174 3.895 -14.582 136 HA VAL 18 HA VAL 18 6.875 3.832 -12.104 137 HB VAL 18 HB VAL 18 7.509 6.196 -11.889 138 HG11 VAL 18 1HG1 VAL 18 9.790 5.208 -13.472 139 HG12 VAL 18 2HG1 VAL 18 9.181 4.058 -12.282 140 HG13 VAL 18 3HG1 VAL 18 9.717 5.659 -11.769 141 HG21 VAL 18 1HG2 VAL 18 8.632 7.217 -13.964 142 HG22 VAL 18 2HG2 VAL 18 6.872 7.120 -13.994 143 HG23 VAL 18 3HG2 VAL 18 7.834 5.942 -14.885 144 H GLU 19 H GLU 19 5.884 5.556 -15.059 145 HA GLU 19 HA GLU 19 3.531 6.734 -13.947 146 HB2 GLU 19 2HB GLU 19 4.535 7.342 -16.168 147 HB3 GLU 19 1HB GLU 19 3.935 5.810 -16.799 148 HG2 GLU 19 2HG GLU 19 1.624 6.480 -16.155 149 HG3 GLU 19 1HG GLU 19 2.252 8.044 -15.636 150 H HIS 20 H HIS 20 4.156 3.606 -15.481 151 HA HIS 20 HA HIS 20 1.432 2.692 -15.455 152 HB2 HIS 20 2HB HIS 20 2.966 1.487 -16.841 153 HB3 HIS 20 1HB HIS 20 4.067 1.209 -15.487 154 HD1 HIS 20 1HD HIS 20 1.005 -0.107 -17.104 155 HD2 HIS 20 2HD HIS 20 3.012 -0.661 -13.481 156 HE1 HIS 20 1HE HIS 20 -0.000 -2.162 -16.023 157 HE2 HIS 20 2HE HIS 20 1.229 -2.524 -13.844 158 H CYS 21 H CYS 21 4.131 2.310 -13.200 159 HA CYS 21 HA CYS 21 3.018 0.545 -11.356 160 HB2 CYS 21 2HB CYS 21 4.689 3.008 -10.791 161 HB3 CYS 21 1HB CYS 21 4.471 1.653 -9.690 162 HG CYS 21 HG CYS 21 6.420 0.670 -10.866 163 H PHE 22 H PHE 22 2.641 4.082 -11.475 164 HA PHE 22 HA PHE 22 0.738 3.965 -9.258 165 HB2 PHE 22 2HB PHE 22 2.239 6.056 -10.609 166 HB3 PHE 22 1HB PHE 22 0.557 6.523 -10.303 167 HD1 PHE 22 1HD PHE 22 3.659 5.243 -8.736 168 HD2 PHE 22 2HD PHE 22 -0.289 6.796 -8.078 169 HE1 PHE 22 1HE PHE 22 4.132 5.412 -6.313 170 HE2 PHE 22 2HE PHE 22 0.183 6.978 -5.650 171 HZ PHE 22 HZ PHE 22 2.395 6.277 -4.774 172 H GLU 23 H GLU 23 0.584 4.122 -12.753 173 HA GLU 23 HA GLU 23 -2.109 5.014 -12.982 174 HB2 GLU 23 2HB GLU 23 -0.599 4.725 -14.933 175 HB3 GLU 23 1HB GLU 23 -0.676 2.981 -14.699 176 HG2 GLU 23 2HG GLU 23 -3.131 3.052 -15.000 177 HG3 GLU 23 1HG GLU 23 -3.027 4.787 -15.304 178 H VAL 24 H VAL 24 -0.713 1.799 -12.459 179 HA VAL 24 HA VAL 24 -3.232 0.420 -12.480 180 HB VAL 24 HB VAL 24 -0.545 -0.297 -11.265 181 HG11 VAL 24 1HG1 VAL 24 -1.694 -1.888 -10.151 182 HG12 VAL 24 2HG1 VAL 24 -1.998 -2.620 -11.727 183 HG13 VAL 24 3HG1 VAL 24 -3.185 -1.529 -11.020 184 HG21 VAL 24 1HG2 VAL 24 -0.454 -0.196 -13.673 185 HG22 VAL 24 2HG2 VAL 24 -2.008 -1.017 -13.824 186 HG23 VAL 24 3HG2 VAL 24 -0.596 -1.901 -13.244 187 H PHE 25 H PHE 25 -1.248 1.853 -9.910 188 HA PHE 25 HA PHE 25 -2.674 0.913 -7.666 189 HB2 PHE 25 2HB PHE 25 -1.220 3.509 -8.193 190 HB3 PHE 25 1HB PHE 25 -1.931 3.139 -6.630 191 HD1 PHE 25 1HD PHE 25 0.391 3.367 -5.725 192 HD2 PHE 25 2HD PHE 25 -0.663 0.257 -8.505 193 HE1 PHE 25 1HE PHE 25 2.419 2.101 -5.098 194 HE2 PHE 25 2HE PHE 25 1.358 -0.988 -7.875 195 HZ PHE 25 HZ PHE 25 2.897 -0.079 -6.177 196 H THR 26 H THR 26 -3.260 3.791 -9.666 197 HA THR 26 HA THR 26 -5.665 4.419 -8.138 198 HB THR 26 HB THR 26 -5.881 6.286 -9.798 199 HG1 THR 26 1HG THR 26 -4.861 5.735 -11.574 200 HG21 THR 26 1HG2 THR 26 -3.471 5.824 -8.077 201 HG22 THR 26 2HG2 THR 26 -4.800 6.966 -7.853 202 HG23 THR 26 3HG2 THR 26 -3.553 7.287 -9.060 203 H SER 27 H SER 27 -5.009 2.225 -10.548 204 HA SER 27 HA SER 27 -7.583 2.605 -11.943 205 HB2 SER 27 2HB SER 27 -6.823 0.931 -13.456 206 HB3 SER 27 1HB SER 27 -5.424 1.933 -13.115 207 HG SER 27 HG SER 27 -4.895 -0.257 -12.917 208 H ARG 28 H ARG 28 -6.026 -0.345 -10.574 209 HA ARG 28 HA ARG 28 -8.325 -0.909 -8.882 210 HB2 ARG 28 2HB ARG 28 -9.023 -2.954 -10.142 211 HB3 ARG 28 1HB ARG 28 -9.378 -1.456 -10.989 212 HG2 ARG 28 2HG ARG 28 -6.717 -2.710 -11.517 213 HG3 ARG 28 1HG ARG 28 -8.125 -3.535 -12.174 214 HD2 ARG 28 2HD ARG 28 -8.252 -0.664 -12.668 215 HD3 ARG 28 1HD ARG 28 -6.784 -1.377 -13.323 216 HE ARG 28 HE ARG 28 -9.511 -1.907 -14.243 217 HH11 ARG 28 1HH1 ARG 28 -9.654 -3.259 -16.049 218 HH12 ARG 28 2HH1 ARG 28 -8.266 -4.168 -16.546 219 HH21 ARG 28 1HH2 ARG 28 -6.236 -2.958 -14.008 220 HH22 ARG 28 2HH2 ARG 28 -6.332 -3.998 -15.390 221 HA PRO 29 HA PRO 29 -4.151 -3.085 -8.093 222 HB2 PRO 29 2HB PRO 29 -4.342 -2.494 -5.348 223 HB3 PRO 29 1HB PRO 29 -3.324 -1.658 -6.534 224 HG2 PRO 29 2HG PRO 29 -5.964 -0.892 -5.434 225 HG3 PRO 29 1HG PRO 29 -4.604 0.129 -5.931 226 HD2 PRO 29 2HD PRO 29 -6.811 -0.097 -7.464 227 HD3 PRO 29 1HD PRO 29 -5.199 0.061 -8.184 228 H ALA 30 H ALA 30 -7.335 -3.189 -6.544 229 HA ALA 30 HA ALA 30 -6.839 -5.663 -5.109 230 HB1 ALA 30 1HB ALA 30 -9.370 -4.225 -5.930 231 HB2 ALA 30 2HB ALA 30 -8.654 -4.324 -4.321 232 HB3 ALA 30 3HB ALA 30 -9.394 -5.750 -5.046 233 H ASP 31 H ASP 31 -8.334 -4.867 -8.214 234 HA ASP 31 HA ASP 31 -9.078 -7.559 -8.887 235 HB2 ASP 31 2HB ASP 31 -8.558 -5.136 -10.624 236 HB3 ASP 31 1HB ASP 31 -9.237 -6.649 -11.219 237 H TRP 32 H TRP 32 -6.006 -6.156 -8.641 238 HA TRP 32 HA TRP 32 -4.416 -6.890 -10.708 239 HB2 TRP 32 2HB TRP 32 -4.053 -7.241 -7.770 240 HB3 TRP 32 1HB TRP 32 -2.903 -8.059 -8.816 241 HD1 TRP 32 HD TRP 32 -2.619 -5.765 -11.064 242 HE1 TRP 32 1HE TRP 32 -1.365 -3.610 -10.471 243 HE3 TRP 32 3HE TRP 32 -2.936 -5.930 -5.980 244 HZ2 TRP 32 2HZ TRP 32 -0.590 -2.143 -8.155 245 HZ3 TRP 32 3HZ TRP 32 -1.923 -4.143 -4.603 246 HH2 TRP 32 HH TRP 32 -0.749 -2.250 -5.676 247 H TRP 33 H TRP 33 -5.579 -9.299 -8.317 248 HA TRP 33 HA TRP 33 -4.560 -11.486 -9.974 249 HB2 TRP 33 2HB TRP 33 -6.024 -12.813 -8.206 250 HB3 TRP 33 1HB TRP 33 -4.482 -12.096 -7.738 251 HD1 TRP 33 HD TRP 33 -4.509 -10.252 -5.944 252 HE1 TRP 33 1HE TRP 33 -6.360 -9.063 -4.601 253 HE3 TRP 33 3HE TRP 33 -8.634 -11.953 -8.429 254 HZ2 TRP 33 2HZ TRP 33 -9.211 -8.862 -4.582 255 HZ3 TRP 33 3HZ TRP 33 -10.903 -11.247 -7.727 256 HH2 TRP 33 HH TRP 33 -11.198 -9.705 -5.808 257 HA PRO 34 HA PRO 34 -8.203 -12.080 -12.403 258 HB2 PRO 34 2HB PRO 34 -8.146 -14.790 -12.797 259 HB3 PRO 34 1HB PRO 34 -7.041 -13.664 -13.608 260 HG2 PRO 34 2HG PRO 34 -6.568 -15.411 -11.248 261 HG3 PRO 34 1HG PRO 34 -5.487 -15.009 -12.593 262 HD2 PRO 34 2HD PRO 34 -5.299 -13.839 -10.117 263 HD3 PRO 34 1HD PRO 34 -4.787 -13.038 -11.620 264 HA PRO 35 HA PRO 35 -11.558 -13.171 -9.716 265 HB2 PRO 35 2HB PRO 35 -13.415 -14.044 -11.573 266 HB3 PRO 35 1HB PRO 35 -13.078 -12.341 -11.212 267 HG2 PRO 35 2HG PRO 35 -12.137 -14.019 -13.474 268 HG3 PRO 35 1HG PRO 35 -12.589 -12.307 -13.446 269 HD2 PRO 35 2HD PRO 35 -9.991 -13.137 -13.490 270 HD3 PRO 35 1HD PRO 35 -10.502 -11.627 -12.702 271 H SER 36 H SER 36 -10.353 -15.560 -11.981 272 HA SER 36 HA SER 36 -11.865 -17.817 -11.159 273 HB2 SER 36 2HB SER 36 -8.954 -17.785 -12.002 274 HB3 SER 36 1HB SER 36 -10.049 -19.163 -12.069 275 HG SER 36 HG SER 36 -9.661 -17.308 -13.898 276 H HIS 37 H HIS 37 -8.915 -16.393 -9.776 277 HA HIS 37 HA HIS 37 -9.403 -18.045 -7.338 278 HB2 HIS 37 2HB HIS 37 -6.703 -17.535 -8.624 279 HB3 HIS 37 1HB HIS 37 -6.968 -18.379 -7.098 280 HD1 HIS 37 1HD HIS 37 -8.652 -20.563 -7.342 281 HD2 HIS 37 2HD HIS 37 -6.758 -19.228 -10.811 282 HE1 HIS 37 1HE HIS 37 -8.782 -22.467 -9.009 283 HE2 HIS 37 2HE HIS 37 -7.633 -21.665 -11.124 284 H VAL 38 H VAL 38 -8.788 -17.003 -5.373 285 HA VAL 38 HA VAL 38 -8.104 -14.099 -5.671 286 HB VAL 38 HB VAL 38 -9.847 -15.400 -3.554 287 HG11 VAL 38 1HG1 VAL 38 -9.146 -12.508 -4.137 288 HG12 VAL 38 2HG1 VAL 38 -8.653 -13.439 -2.722 289 HG13 VAL 38 3HG1 VAL 38 -10.352 -13.033 -2.962 290 HG21 VAL 38 1HG2 VAL 38 -11.598 -15.081 -4.938 291 HG22 VAL 38 2HG2 VAL 38 -10.457 -14.676 -6.219 292 HG23 VAL 38 3HG2 VAL 38 -11.130 -13.401 -5.203 293 H LEU 39 H LEU 39 -6.112 -13.705 -4.846 294 HA LEU 39 HA LEU 39 -4.794 -15.616 -3.081 295 HB2 LEU 39 2HB LEU 39 -3.570 -14.284 -4.806 296 HB3 LEU 39 1HB LEU 39 -3.911 -12.827 -3.873 297 HG LEU 39 HG LEU 39 -2.766 -13.890 -1.905 298 HD11 LEU 39 1HD1 LEU 39 -2.687 -16.124 -3.812 299 HD12 LEU 39 2HD1 LEU 39 -2.515 -16.138 -2.057 300 HD13 LEU 39 3HD1 LEU 39 -1.122 -15.781 -3.077 301 HD21 LEU 39 1HD2 LEU 39 -0.425 -13.825 -3.093 302 HD22 LEU 39 2HD2 LEU 39 -1.398 -12.355 -3.026 303 HD23 LEU 39 3HD2 LEU 39 -1.358 -13.320 -4.502 304 H VAL 40 H VAL 40 -6.207 -12.378 -2.721 305 HA VAL 40 HA VAL 40 -5.383 -11.966 -0.010 306 HB VAL 40 HB VAL 40 -6.182 -10.103 -1.349 307 HG11 VAL 40 1HG1 VAL 40 -8.553 -9.973 -2.033 308 HG12 VAL 40 2HG1 VAL 40 -8.821 -11.591 -1.391 309 HG13 VAL 40 3HG1 VAL 40 -7.743 -11.353 -2.766 310 HG21 VAL 40 1HG2 VAL 40 -8.196 -10.703 0.835 311 HG22 VAL 40 2HG2 VAL 40 -7.768 -9.111 0.215 312 HG23 VAL 40 3HG2 VAL 40 -6.583 -10.054 1.119 313 H LYS 41 H LYS 41 -6.311 -12.607 1.919 314 HA LYS 41 HA LYS 41 -8.005 -14.903 1.967 315 HB2 LYS 41 2HB LYS 41 -6.468 -14.216 3.815 316 HB3 LYS 41 1HB LYS 41 -7.579 -12.902 4.191 317 HG2 LYS 41 2HG LYS 41 -9.394 -14.553 4.549 318 HG3 LYS 41 1HG LYS 41 -8.249 -15.857 4.232 319 HD2 LYS 41 2HD LYS 41 -6.842 -15.005 6.126 320 HD3 LYS 41 1HD LYS 41 -8.117 -13.840 6.491 321 HE2 LYS 41 2HE LYS 41 -9.613 -16.071 6.406 322 HE3 LYS 41 1HE LYS 41 -8.077 -16.792 6.888 323 HZ1 LYS 41 1HZ LYS 41 -9.037 -14.376 8.259 324 HZ2 LYS 41 2HZ LYS 41 -8.026 -15.614 8.837 325 HZ3 LYS 41 3HZ LYS 41 -9.695 -15.883 8.676 326 H LYS 42 H LYS 42 -8.731 -11.437 2.329 327 HA LYS 42 HA LYS 42 -11.619 -12.119 2.543 328 HB2 LYS 42 2HB LYS 42 -11.969 -9.819 3.214 329 HB3 LYS 42 1HB LYS 42 -10.612 -10.456 4.143 330 HG2 LYS 42 2HG LYS 42 -9.049 -9.427 2.496 331 HG3 LYS 42 1HG LYS 42 -10.432 -8.712 1.668 332 HD2 LYS 42 2HD LYS 42 -11.059 -7.661 3.907 333 HD3 LYS 42 1HD LYS 42 -9.465 -8.158 4.479 334 HE2 LYS 42 2HE LYS 42 -8.446 -6.916 2.557 335 HE3 LYS 42 1HE LYS 42 -10.054 -6.325 2.137 336 HZ1 LYS 42 1HZ LYS 42 -9.637 -5.897 4.871 337 HZ2 LYS 42 2HZ LYS 42 -9.833 -4.741 3.643 338 HZ3 LYS 42 3HZ LYS 42 -8.280 -5.305 4.042 339 H GLU 43 H GLU 43 -13.044 -11.645 0.890 340 HA GLU 43 HA GLU 43 -11.940 -11.185 -1.739 341 HB2 GLU 43 2HB GLU 43 -14.806 -11.157 -0.778 342 HB3 GLU 43 1HB GLU 43 -14.308 -11.173 -2.468 343 HG2 GLU 43 2HG GLU 43 -13.100 -13.310 -2.064 344 HG3 GLU 43 1HG GLU 43 -13.695 -13.306 -0.403 345 H ARG 44 H ARG 44 -11.466 -9.253 -2.640 346 HA ARG 44 HA ARG 44 -12.363 -6.773 -1.326 347 HB2 ARG 44 2HB ARG 44 -10.592 -7.250 -3.747 348 HB3 ARG 44 1HB ARG 44 -10.921 -5.666 -3.041 349 HG2 ARG 44 2HG ARG 44 -10.007 -6.477 -0.867 350 HG3 ARG 44 1HG ARG 44 -9.598 -8.008 -1.636 351 HD2 ARG 44 2HD ARG 44 -8.234 -6.671 -3.312 352 HD3 ARG 44 1HD ARG 44 -8.477 -5.272 -2.264 353 HE ARG 44 HE ARG 44 -6.653 -7.467 -1.758 354 HH11 ARG 44 1HH1 ARG 44 -5.544 -7.410 0.210 355 HH12 ARG 44 2HH1 ARG 44 -6.108 -6.372 1.477 356 HH21 ARG 44 1HH2 ARG 44 -8.782 -5.145 -0.358 357 HH22 ARG 44 2HH2 ARG 44 -7.941 -5.090 1.156 358 H ALA 45 H ALA 45 -13.841 -5.325 -2.253 359 HA ALA 45 HA ALA 45 -15.401 -6.435 -4.545 360 HB1 ALA 45 1HB ALA 45 -17.016 -6.220 -2.952 361 HB2 ALA 45 2HB ALA 45 -17.016 -4.535 -3.478 362 HB3 ALA 45 3HB ALA 45 -16.100 -5.013 -2.049 363 H GLY 46 H GLY 46 -14.284 -3.299 -3.206 364 HA2 GLY 46 2HA GLY 46 -13.846 -2.353 -5.964 365 HA3 GLY 46 1HA GLY 46 -15.094 -1.496 -5.069 366 H LEU 47 H LEU 47 -13.077 0.070 -5.818 367 HA LEU 47 HA LEU 47 -11.800 0.731 -3.264 368 HB2 LEU 47 2HB LEU 47 -9.654 0.973 -5.066 369 HB3 LEU 47 1HB LEU 47 -9.791 -0.174 -3.736 370 HG LEU 47 HG LEU 47 -10.898 -1.789 -5.248 371 HD11 LEU 47 1HD1 LEU 47 -10.879 0.569 -7.020 372 HD12 LEU 47 2HD1 LEU 47 -11.936 -0.843 -7.045 373 HD13 LEU 47 3HD1 LEU 47 -10.343 -0.918 -7.795 374 HD21 LEU 47 1HD2 LEU 47 -8.631 -2.223 -5.160 375 HD22 LEU 47 2HD2 LEU 47 -8.203 -0.647 -5.806 376 HD23 LEU 47 3HD2 LEU 47 -8.812 -1.902 -6.884 377 H ALA 48 H ALA 48 -11.551 2.934 -3.072 378 HA ALA 48 HA ALA 48 -12.255 4.542 -5.475 379 HB1 ALA 48 1HB ALA 48 -12.889 6.287 -4.001 380 HB2 ALA 48 2HB ALA 48 -11.947 5.620 -2.670 381 HB3 ALA 48 3HB ALA 48 -13.434 4.825 -3.182 382 H PHE 49 H PHE 49 -10.721 5.854 -6.421 383 HA PHE 49 HA PHE 49 -8.149 6.252 -4.965 384 HB2 PHE 49 2HB PHE 49 -8.671 4.690 -7.402 385 HB3 PHE 49 1HB PHE 49 -7.337 5.831 -7.533 386 HD1 PHE 49 1HD PHE 49 -8.472 2.692 -6.151 387 HD2 PHE 49 2HD PHE 49 -5.469 5.740 -5.836 388 HE1 PHE 49 1HE PHE 49 -6.976 1.097 -4.985 389 HE2 PHE 49 2HE PHE 49 -3.970 4.144 -4.669 390 HZ PHE 49 HZ PHE 49 -4.723 1.822 -4.260 391 H GLU 50 H GLU 50 -7.701 8.409 -5.027 392 HA GLU 50 HA GLU 50 -8.260 9.843 -7.575 393 HB2 GLU 50 2HB GLU 50 -8.508 11.693 -5.420 394 HB3 GLU 50 1HB GLU 50 -9.720 11.234 -6.603 395 HG2 GLU 50 2HG GLU 50 -10.463 9.386 -5.247 396 HG3 GLU 50 1HG GLU 50 -9.128 9.606 -4.117 397 HA PRO 51 HA PRO 51 -3.983 11.027 -6.847 398 HB2 PRO 51 2HB PRO 51 -3.602 12.710 -8.893 399 HB3 PRO 51 1HB PRO 51 -3.938 10.989 -9.181 400 HG2 PRO 51 2HG PRO 51 -5.787 13.329 -9.340 401 HG3 PRO 51 1HG PRO 51 -5.622 11.950 -10.441 402 HD2 PRO 51 2HD PRO 51 -7.570 12.127 -8.481 403 HD3 PRO 51 1HD PRO 51 -6.965 10.601 -9.167 404 H PHE 52 H PHE 52 -2.834 12.646 -5.734 405 HA PHE 52 HA PHE 52 -2.999 15.376 -5.796 406 HB2 PHE 52 2HB PHE 52 -4.549 15.779 -3.711 407 HB3 PHE 52 1HB PHE 52 -5.251 15.681 -5.316 408 HD1 PHE 52 1HD PHE 52 -7.408 15.144 -4.143 409 HD2 PHE 52 2HD PHE 52 -4.007 12.523 -3.905 410 HE1 PHE 52 1HE PHE 52 -8.869 13.290 -3.387 411 HE2 PHE 52 2HE PHE 52 -5.477 10.678 -3.179 412 HZ PHE 52 HZ PHE 52 -7.891 11.056 -2.914 413 H VAL 53 H VAL 53 -2.472 16.469 -3.599 414 HA VAL 53 HA VAL 53 -0.428 14.810 -2.269 415 HB VAL 53 HB VAL 53 0.624 16.811 -2.206 416 HG11 VAL 53 1HG1 VAL 53 -0.892 17.516 -4.036 417 HG12 VAL 53 2HG1 VAL 53 -0.437 18.865 -2.995 418 HG13 VAL 53 3HG1 VAL 53 -2.031 18.127 -2.835 419 HG21 VAL 53 1HG2 VAL 53 -1.657 17.766 -0.442 420 HG22 VAL 53 2HG2 VAL 53 -0.036 18.449 -0.524 421 HG23 VAL 53 3HG2 VAL 53 -0.272 16.830 0.129 422 H GLY 54 H GLY 54 -0.595 14.192 -0.035 423 HA2 GLY 54 2HA GLY 54 -1.786 13.697 1.960 424 HA3 GLY 54 1HA GLY 54 -2.724 15.170 1.668 425 H GLY 55 H GLY 55 -2.299 12.698 -0.697 426 HA2 GLY 55 2HA GLY 55 -5.095 12.510 -1.228 427 HA3 GLY 55 1HA GLY 55 -3.829 11.522 -1.948 428 H ARG 56 H ARG 56 -6.015 10.161 -1.607 429 HA ARG 56 HA ARG 56 -5.342 8.346 0.624 430 HB2 ARG 56 2HB ARG 56 -8.051 9.672 0.352 431 HB3 ARG 56 1HB ARG 56 -7.712 8.308 1.415 432 HG2 ARG 56 2HG ARG 56 -5.937 9.698 2.524 433 HG3 ARG 56 1HG ARG 56 -6.471 11.069 1.551 434 HD2 ARG 56 2HD ARG 56 -8.787 10.728 2.486 435 HD3 ARG 56 1HD ARG 56 -8.100 9.537 3.590 436 HE ARG 56 HE ARG 56 -7.208 11.318 4.853 437 HH11 ARG 56 1HH1 ARG 56 -6.815 13.509 5.253 438 HH12 ARG 56 2HH1 ARG 56 -7.074 14.665 3.989 439 HH21 ARG 56 1HH2 ARG 56 -8.093 12.298 1.669 440 HH22 ARG 56 2HH2 ARG 56 -7.798 13.980 1.960 441 H TYR 57 H TYR 57 -5.962 6.239 0.230 442 HA TYR 57 HA TYR 57 -7.463 5.712 -2.304 443 HB2 TYR 57 2HB TYR 57 -5.355 3.909 -1.088 444 HB3 TYR 57 1HB TYR 57 -6.112 3.753 -2.668 445 HD1 TYR 57 1HD TYR 57 -3.086 4.248 -1.534 446 HD2 TYR 57 2HD TYR 57 -6.005 6.565 -3.680 447 HE1 TYR 57 1HE TYR 57 -1.281 5.627 -2.519 448 HE2 TYR 57 2HE TYR 57 -4.203 7.945 -4.647 449 HH TYR 57 HH TYR 57 -1.818 7.780 -5.121 450 H TYR 58 H TYR 58 -8.911 3.839 -2.183 451 HA TYR 58 HA TYR 58 -9.422 2.913 0.612 452 HB2 TYR 58 2HB TYR 58 -11.566 3.835 -1.309 453 HB3 TYR 58 1HB TYR 58 -11.777 3.337 0.369 454 HD1 TYR 58 1HD TYR 58 -9.881 5.802 -1.722 455 HD2 TYR 58 2HD TYR 58 -11.703 4.922 2.069 456 HE1 TYR 58 1HE TYR 58 -9.390 8.100 -0.957 457 HE2 TYR 58 2HE TYR 58 -11.223 7.221 2.837 458 HH TYR 58 HH TYR 58 -10.240 9.158 2.349 459 H GLU 59 H GLU 59 -10.675 0.990 0.773 460 HA GLU 59 HA GLU 59 -10.870 -0.643 -1.720 461 HB2 GLU 59 2HB GLU 59 -9.910 -1.599 0.997 462 HB3 GLU 59 1HB GLU 59 -10.131 -2.609 -0.431 463 HG2 GLU 59 2HG GLU 59 -8.455 -1.225 -1.639 464 HG3 GLU 59 1HG GLU 59 -8.194 -0.292 -0.165 465 H TRP 60 H TRP 60 -12.633 -2.140 -1.695 466 HA TRP 60 HA TRP 60 -14.665 -1.576 0.437 467 HB2 TRP 60 2HB TRP 60 -14.806 -1.710 -2.479 468 HB3 TRP 60 1HB TRP 60 -15.988 -2.759 -1.705 469 HD1 TRP 60 HD TRP 60 -17.171 -1.307 0.574 470 HE1 TRP 60 1HE TRP 60 -18.308 1.004 0.351 471 HE3 TRP 60 3HE TRP 60 -15.027 0.325 -3.763 472 HZ2 TRP 60 2HZ TRP 60 -18.287 3.257 -1.435 473 HZ3 TRP 60 3HZ TRP 60 -15.590 2.541 -4.700 474 HH2 TRP 60 HH TRP 60 -17.213 4.007 -3.548 475 H ASP 61 H ASP 61 -15.267 -3.327 1.656 476 HA ASP 61 HA ASP 61 -14.554 -6.037 0.578 477 HB2 ASP 61 2HB ASP 61 -14.589 -5.101 3.459 478 HB3 ASP 61 1HB ASP 61 -14.288 -6.758 2.938 479 H ILE 62 H ILE 62 -16.207 -7.542 0.552 480 HA ILE 62 HA ILE 62 -18.888 -6.704 0.666 481 HB ILE 62 HB ILE 62 -19.500 -9.021 0.527 482 HG12 ILE 62 2HG1 ILE 62 -18.153 -9.876 2.408 483 HG13 ILE 62 1HG1 ILE 62 -17.919 -10.849 0.968 484 HG21 ILE 62 1HG2 ILE 62 -17.125 -9.596 -0.905 485 HG22 ILE 62 2HG2 ILE 62 -17.431 -7.867 -1.063 486 HG23 ILE 62 3HG2 ILE 62 -18.667 -9.029 -1.544 487 HD11 ILE 62 1HD1 ILE 62 -16.028 -8.839 2.192 488 HD12 ILE 62 2HD1 ILE 62 -15.854 -9.358 0.518 489 HD13 ILE 62 3HD1 ILE 62 -15.738 -10.534 1.821 490 H ASP 63 H ASP 63 -16.749 -7.631 3.230 491 HA ASP 63 HA ASP 63 -19.037 -7.687 5.143 492 HB2 ASP 63 2HB ASP 63 -16.149 -8.573 5.442 493 HB3 ASP 63 1HB ASP 63 -17.330 -8.583 6.753 494 H GLY 64 H GLY 64 -16.266 -5.905 4.083 495 HA2 GLY 64 2HA GLY 64 -16.598 -4.009 6.361 496 HA3 GLY 64 1HA GLY 64 -15.101 -4.194 5.453 497 H THR 65 H THR 65 -17.280 -1.997 5.922 498 HA THR 65 HA THR 65 -18.365 -1.285 3.381 499 HB THR 65 HB THR 65 -18.938 -0.321 5.690 500 HG1 THR 65 1HG THR 65 -19.924 1.027 4.449 501 HG21 THR 65 1HG2 THR 65 -17.527 1.123 6.741 502 HG22 THR 65 2HG2 THR 65 -16.958 1.828 5.229 503 HG23 THR 65 3HG2 THR 65 -16.290 0.296 5.796 504 H GLU 66 H GLU 66 -17.238 1.478 3.419 505 HA GLU 66 HA GLU 66 -14.782 0.895 1.831 506 HB2 GLU 66 2HB GLU 66 -16.802 2.329 0.999 507 HB3 GLU 66 1HB GLU 66 -16.143 3.567 2.048 508 HG2 GLU 66 2HG GLU 66 -13.956 3.310 0.894 509 HG3 GLU 66 1HG GLU 66 -14.731 2.209 -0.241 510 H ILE 67 H ILE 67 -12.811 1.453 2.706 511 HA ILE 67 HA ILE 67 -12.744 3.576 4.802 512 HB ILE 67 HB ILE 67 -11.955 0.708 5.124 513 HG12 ILE 67 2HG1 ILE 67 -14.038 2.048 6.076 514 HG13 ILE 67 1HG1 ILE 67 -13.227 0.825 7.044 515 HG21 ILE 67 1HG2 ILE 67 -10.566 1.437 7.120 516 HG22 ILE 67 2HG2 ILE 67 -10.584 3.061 6.442 517 HG23 ILE 67 3HG2 ILE 67 -9.836 1.740 5.546 518 HD11 ILE 67 1HD1 ILE 67 -12.411 3.731 7.140 519 HD12 ILE 67 2HD1 ILE 67 -12.029 2.455 8.296 520 HD13 ILE 67 3HD1 ILE 67 -13.673 3.081 8.186 521 H VAL 68 H VAL 68 -10.477 4.339 5.226 522 HA VAL 68 HA VAL 68 -8.915 4.335 2.706 523 HB VAL 68 HB VAL 68 -9.347 6.502 3.818 524 HG11 VAL 68 1HG1 VAL 68 -9.386 5.451 6.141 525 HG12 VAL 68 2HG1 VAL 68 -8.534 6.990 6.012 526 HG13 VAL 68 3HG1 VAL 68 -7.624 5.481 6.081 527 HG21 VAL 68 1HG2 VAL 68 -6.441 5.676 4.061 528 HG22 VAL 68 2HG2 VAL 68 -7.049 7.315 3.827 529 HG23 VAL 68 3HG2 VAL 68 -7.227 6.116 2.545 530 H TRP 69 H TRP 69 -7.040 3.173 2.514 531 HA TRP 69 HA TRP 69 -6.045 1.805 4.970 532 HB2 TRP 69 2HB TRP 69 -6.248 1.013 2.105 533 HB3 TRP 69 1HB TRP 69 -4.897 0.371 3.041 534 HD1 TRP 69 HD TRP 69 -5.408 -1.328 4.956 535 HE1 TRP 69 1HE TRP 69 -7.527 -2.617 5.638 536 HE3 TRP 69 3HE TRP 69 -8.908 1.165 2.204 537 HZ2 TRP 69 2HZ TRP 69 -10.323 -2.621 5.093 538 HZ3 TRP 69 3HZ TRP 69 -11.290 0.499 2.314 539 HH2 TRP 69 HH TRP 69 -12.004 -1.390 3.747 540 H GLY 70 H GLY 70 -5.256 4.440 3.164 541 HA2 GLY 70 2HA GLY 70 -2.532 4.476 4.143 542 HA3 GLY 70 1HA GLY 70 -2.578 4.163 2.409 543 H ARG 71 H ARG 71 -1.326 6.395 2.879 544 HA ARG 71 HA ARG 71 -3.251 8.498 2.071 545 HB2 ARG 71 2HB ARG 71 -2.401 8.418 4.686 546 HB3 ARG 71 1HB ARG 71 -1.202 9.468 3.945 547 HG2 ARG 71 2HG ARG 71 -3.149 10.736 2.891 548 HG3 ARG 71 1HG ARG 71 -4.194 9.840 3.994 549 HD2 ARG 71 2HD ARG 71 -3.677 11.900 5.098 550 HD3 ARG 71 1HD ARG 71 -2.694 10.666 5.884 551 HE ARG 71 HE ARG 71 -1.266 11.915 3.697 552 HH11 ARG 71 1HH1 ARG 71 0.427 13.300 4.268 553 HH12 ARG 71 2HH1 ARG 71 0.525 13.904 5.888 554 HH21 ARG 71 1HH2 ARG 71 -2.323 12.244 6.963 555 HH22 ARG 71 2HH2 ARG 71 -1.031 13.306 7.414 556 H ILE 72 H ILE 72 -1.734 10.569 1.615 557 HA ILE 72 HA ILE 72 0.795 9.644 0.362 558 HB ILE 72 HB ILE 72 -1.407 11.233 -0.978 559 HG12 ILE 72 2HG1 ILE 72 -0.776 9.372 -2.757 560 HG13 ILE 72 1HG1 ILE 72 -0.165 8.521 -1.337 561 HG21 ILE 72 1HG2 ILE 72 1.485 10.830 -1.768 562 HG22 ILE 72 2HG2 ILE 72 0.639 12.359 -1.530 563 HG23 ILE 72 3HG2 ILE 72 0.235 11.334 -2.907 564 HD11 ILE 72 1HD1 ILE 72 -2.956 9.150 -2.107 565 HD12 ILE 72 2HD1 ILE 72 -2.573 9.356 -0.401 566 HD13 ILE 72 3HD1 ILE 72 -2.322 7.796 -1.174 567 H LEU 73 H LEU 73 2.245 11.577 -0.141 568 HA LEU 73 HA LEU 73 1.717 13.780 1.817 569 HB2 LEU 73 2HB LEU 73 4.239 12.361 1.008 570 HB3 LEU 73 1HB LEU 73 4.304 13.986 1.684 571 HG LEU 73 HG LEU 73 2.631 11.947 3.097 572 HD11 LEU 73 1HD1 LEU 73 4.940 10.937 2.553 573 HD12 LEU 73 2HD1 LEU 73 4.456 10.971 4.244 574 HD13 LEU 73 3HD1 LEU 73 5.594 12.170 3.630 575 HD21 LEU 73 1HD2 LEU 73 3.487 13.258 5.059 576 HD22 LEU 73 2HD2 LEU 73 2.625 14.251 3.885 577 HD23 LEU 73 3HD2 LEU 73 4.388 14.275 3.937 578 H GLU 74 H GLU 74 3.322 13.024 -1.255 579 HA GLU 74 HA GLU 74 2.274 15.302 -2.630 580 HB2 GLU 74 2HB GLU 74 3.884 16.473 -1.095 581 HB3 GLU 74 1HB GLU 74 5.191 15.532 -1.820 582 HG2 GLU 74 2HG GLU 74 4.569 16.455 -4.052 583 HG3 GLU 74 1HG GLU 74 3.352 17.463 -3.266 584 H TRP 75 H TRP 75 2.969 15.263 -4.871 585 HA TRP 75 HA TRP 75 4.356 12.720 -5.570 586 HB2 TRP 75 2HB TRP 75 3.187 12.852 -7.709 587 HB3 TRP 75 1HB TRP 75 2.024 12.994 -6.388 588 HD1 TRP 75 HD TRP 75 1.095 15.469 -5.832 589 HE1 TRP 75 1HE TRP 75 0.811 17.532 -7.350 590 HE3 TRP 75 3HE TRP 75 4.130 14.132 -9.716 591 HZ2 TRP 75 2HZ TRP 75 1.745 18.489 -9.877 592 HZ3 TRP 75 3HZ TRP 75 4.414 15.637 -11.664 593 HH2 TRP 75 HH TRP 75 3.227 17.812 -11.750 594 H ASP 76 H ASP 76 6.469 13.059 -6.056 595 HA ASP 76 HA ASP 76 7.327 15.629 -7.198 596 HB2 ASP 76 2HB ASP 76 8.584 13.667 -5.616 597 HB3 ASP 76 1HB ASP 76 9.390 13.587 -7.186 598 HA PRO 77 HA PRO 77 6.495 14.706 -11.465 599 HB2 PRO 77 2HB PRO 77 9.443 15.301 -11.645 600 HB3 PRO 77 1HB PRO 77 8.139 15.774 -12.758 601 HG2 PRO 77 2HG PRO 77 9.074 17.429 -10.852 602 HG3 PRO 77 1HG PRO 77 7.387 17.444 -11.392 603 HD2 PRO 77 2HD PRO 77 8.458 16.652 -8.794 604 HD3 PRO 77 1HD PRO 77 6.757 16.863 -9.271 605 HA PRO 78 HA PRO 78 7.060 10.424 -12.316 606 HB2 PRO 78 2HB PRO 78 8.520 11.428 -14.742 607 HB3 PRO 78 1HB PRO 78 7.313 10.134 -14.615 608 HG2 PRO 78 2HG PRO 78 6.715 12.649 -15.431 609 HG3 PRO 78 1HG PRO 78 5.562 11.581 -14.618 610 HD2 PRO 78 2HD PRO 78 6.729 14.054 -13.627 611 HD3 PRO 78 1HD PRO 78 5.468 13.050 -12.878 612 H HIS 79 H HIS 79 8.682 10.528 -10.442 613 HA HIS 79 HA HIS 79 11.072 9.158 -11.174 614 HB2 HIS 79 2HB HIS 79 11.687 11.515 -11.900 615 HB3 HIS 79 1HB HIS 79 11.585 11.978 -10.199 616 HD1 HIS 79 1HD HIS 79 12.807 9.405 -8.957 617 HD2 HIS 79 2HD HIS 79 14.478 11.462 -12.178 618 HE1 HIS 79 1HE HIS 79 15.258 8.773 -9.014 619 HE2 HIS 79 2HE HIS 79 16.290 10.027 -10.965 620 H ARG 80 H ARG 80 9.618 11.333 -8.697 621 HA ARG 80 HA ARG 80 10.113 9.190 -6.717 622 HB2 ARG 80 2HB ARG 80 12.200 10.475 -6.653 623 HB3 ARG 80 1HB ARG 80 11.289 11.968 -6.415 624 HG2 ARG 80 2HG ARG 80 10.457 11.177 -4.277 625 HG3 ARG 80 1HG ARG 80 11.201 9.596 -4.531 626 HD2 ARG 80 2HD ARG 80 12.675 10.841 -3.098 627 HD3 ARG 80 1HD ARG 80 13.433 10.777 -4.685 628 HE ARG 80 HE ARG 80 13.172 13.116 -4.840 629 HH11 ARG 80 1HH1 ARG 80 12.489 15.122 -4.058 630 HH12 ARG 80 2HH1 ARG 80 11.378 15.186 -2.730 631 HH21 ARG 80 1HH2 ARG 80 11.156 11.740 -2.405 632 HH22 ARG 80 2HH2 ARG 80 10.623 13.271 -1.795 633 H LEU 81 H LEU 81 8.960 9.525 -4.709 634 HA LEU 81 HA LEU 81 7.204 11.824 -4.404 635 HB2 LEU 81 2HB LEU 81 5.094 10.542 -4.575 636 HB3 LEU 81 1HB LEU 81 5.955 10.595 -6.114 637 HG LEU 81 HG LEU 81 7.042 8.372 -4.913 638 HD11 LEU 81 1HD1 LEU 81 4.068 8.215 -4.452 639 HD12 LEU 81 2HD1 LEU 81 5.172 8.739 -3.180 640 HD13 LEU 81 3HD1 LEU 81 5.327 7.124 -3.871 641 HD21 LEU 81 1HD2 LEU 81 4.642 8.587 -6.756 642 HD22 LEU 81 2HD2 LEU 81 5.610 7.131 -6.528 643 HD23 LEU 81 3HD2 LEU 81 6.336 8.567 -7.250 644 H ALA 82 H ALA 82 6.445 11.965 -2.300 645 HA ALA 82 HA ALA 82 7.279 9.760 -0.456 646 HB1 ALA 82 1HB ALA 82 7.093 11.525 1.323 647 HB2 ALA 82 2HB ALA 82 6.727 12.703 0.063 648 HB3 ALA 82 3HB ALA 82 8.302 11.911 0.098 649 H MET 83 H MET 83 5.650 9.070 1.172 650 HA MET 83 HA MET 83 2.933 10.142 0.684 651 HB2 MET 83 2HB MET 83 2.255 7.558 0.741 652 HB3 MET 83 1HB MET 83 2.643 8.387 -0.767 653 HG2 MET 83 2HG MET 83 4.855 7.515 -0.803 654 HG3 MET 83 1HG MET 83 4.763 7.006 0.884 655 HE1 MET 83 1HE MET 83 2.990 5.191 -2.859 656 HE2 MET 83 2HE MET 83 3.492 6.849 -2.535 657 HE3 MET 83 3HE MET 83 1.888 6.310 -2.045 658 H THR 84 H THR 84 1.493 9.902 2.400 659 HA THR 84 HA THR 84 2.720 8.910 4.935 660 HB THR 84 HB THR 84 0.508 10.889 4.353 661 HG1 THR 84 1HG THR 84 2.277 11.480 6.286 662 HG21 THR 84 1HG2 THR 84 0.243 10.954 6.886 663 HG22 THR 84 2HG2 THR 84 1.117 9.424 6.927 664 HG23 THR 84 3HG2 THR 84 -0.431 9.533 6.089 665 H TRP 85 H TRP 85 1.227 7.605 6.351 666 HA TRP 85 HA TRP 85 -0.630 5.982 4.648 667 HB2 TRP 85 2HB TRP 85 1.480 4.959 5.765 668 HB3 TRP 85 1HB TRP 85 0.561 5.082 7.266 669 HD1 TRP 85 HD TRP 85 -1.397 3.411 7.649 670 HE1 TRP 85 1HE TRP 85 -2.238 1.337 6.368 671 HE3 TRP 85 3HE TRP 85 1.206 3.953 3.290 672 HZ2 TRP 85 2HZ TRP 85 -1.854 0.076 3.829 673 HZ3 TRP 85 3HZ TRP 85 0.951 2.303 1.459 674 HH2 TRP 85 HH TRP 85 -0.575 0.366 1.722 675 H ARG 86 H ARG 86 -2.793 6.318 5.100 676 HA ARG 86 HA ARG 86 -3.473 7.130 7.910 677 HB2 ARG 86 2HB ARG 86 -4.019 8.852 6.211 678 HB3 ARG 86 1HB ARG 86 -5.035 7.681 5.371 679 HG2 ARG 86 2HG ARG 86 -6.425 7.441 7.402 680 HG3 ARG 86 1HG ARG 86 -5.417 8.632 8.226 681 HD2 ARG 86 2HD ARG 86 -6.999 9.152 5.691 682 HD3 ARG 86 1HD ARG 86 -7.485 9.651 7.311 683 HE ARG 86 HE ARG 86 -4.834 10.588 6.418 684 HH11 ARG 86 1HH1 ARG 86 -4.622 12.836 6.379 685 HH12 ARG 86 2HH1 ARG 86 -6.030 13.830 6.545 686 HH21 ARG 86 1HH2 ARG 86 -8.216 11.156 6.826 687 HH22 ARG 86 2HH2 ARG 86 -8.061 12.880 6.800 688 H ILE 87 H ILE 87 -4.216 5.368 8.972 689 HA ILE 87 HA ILE 87 -6.420 3.831 7.738 690 HB ILE 87 HB ILE 87 -4.229 2.656 7.217 691 HG12 ILE 87 2HG1 ILE 87 -5.930 1.012 9.092 692 HG13 ILE 87 1HG1 ILE 87 -6.576 1.578 7.551 693 HG21 ILE 87 1HG2 ILE 87 -2.966 1.675 8.964 694 HG22 ILE 87 2HG2 ILE 87 -4.239 1.950 10.153 695 HG23 ILE 87 3HG2 ILE 87 -3.298 3.309 9.537 696 HD11 ILE 87 1HD1 ILE 87 -5.512 -0.727 7.482 697 HD12 ILE 87 2HD1 ILE 87 -3.965 0.068 7.780 698 HD13 ILE 87 3HD1 ILE 87 -4.871 0.426 6.315 699 H ASP 88 H ASP 88 -7.598 2.544 9.388 700 HA ASP 88 HA ASP 88 -7.359 3.835 12.058 701 HB2 ASP 88 2HB ASP 88 -9.596 2.176 10.895 702 HB3 ASP 88 1HB ASP 88 -9.626 2.985 12.458 703 H GLY 89 H GLY 89 -7.639 2.440 13.969 704 HA2 GLY 89 2HA GLY 89 -5.876 0.183 13.931 705 HA3 GLY 89 1HA GLY 89 -6.930 0.624 15.275 706 H HIS 90 H HIS 90 -9.431 0.409 14.023 707 HA HIS 90 HA HIS 90 -9.550 -2.536 13.520 708 HB2 HIS 90 2HB HIS 90 -11.063 -0.747 15.229 709 HB3 HIS 90 1HB HIS 90 -12.138 -1.579 14.111 710 HD1 HIS 90 1HD HIS 90 -10.556 -2.057 17.294 711 HD2 HIS 90 2HD HIS 90 -11.458 -4.547 14.072 712 HE1 HIS 90 1HE HIS 90 -10.482 -4.431 18.181 713 HE2 HIS 90 2HE HIS 90 -11.029 -5.956 16.229 714 H TRP 91 H TRP 91 -8.986 -0.580 11.439 715 HA TRP 91 HA TRP 91 -9.712 -0.030 9.276 716 HB2 TRP 91 2HB TRP 91 -11.605 -2.347 9.801 717 HB3 TRP 91 1HB TRP 91 -11.339 -1.599 8.233 718 HD1 TRP 91 HD TRP 91 -8.808 -1.789 7.224 719 HE1 TRP 91 1HE TRP 91 -7.095 -3.695 7.470 720 HE3 TRP 91 3HE TRP 91 -10.686 -4.149 11.332 721 HZ2 TRP 91 2HZ TRP 91 -6.599 -5.945 9.187 722 HZ3 TRP 91 3HZ TRP 91 -9.590 -6.165 12.252 723 HH2 TRP 91 HH TRP 91 -7.544 -7.065 11.185 724 H GLN 92 H GLN 92 -11.019 1.096 11.745 725 HA GLN 92 HA GLN 92 -12.864 2.841 10.572 726 HB2 GLN 92 2HB GLN 92 -14.983 1.839 11.744 727 HB3 GLN 92 1HB GLN 92 -14.514 1.254 10.148 728 HG2 GLN 92 2HG GLN 92 -13.703 -0.748 10.967 729 HG3 GLN 92 1HG GLN 92 -13.385 -0.094 12.577 730 HE21 GLN 92 1HE2 GLN 92 -14.800 -2.484 12.467 731 HE22 GLN 92 2HE2 GLN 92 -16.435 -2.222 12.834 732 H SER 93 H SER 93 -11.239 3.794 12.187 733 HA SER 93 HA SER 93 -12.402 3.729 14.949 734 HB2 SER 93 2HB SER 93 -10.045 2.853 14.693 735 HB3 SER 93 1HB SER 93 -9.567 4.475 14.191 736 HG SER 93 HG SER 93 -10.800 5.018 16.286 737 H VAL 94 H VAL 94 -10.172 5.981 13.305 738 HA VAL 94 HA VAL 94 -12.178 8.146 13.776 739 HB VAL 94 HB VAL 94 -10.244 9.626 14.399 740 HG11 VAL 94 1HG1 VAL 94 -10.837 7.144 16.021 741 HG12 VAL 94 2HG1 VAL 94 -11.532 8.753 16.212 742 HG13 VAL 94 3HG1 VAL 94 -9.847 8.463 16.645 743 HG21 VAL 94 1HG2 VAL 94 -8.700 7.032 14.642 744 HG22 VAL 94 2HG2 VAL 94 -8.088 8.674 14.838 745 HG23 VAL 94 3HG2 VAL 94 -8.557 8.094 13.241 746 HA PRO 95 HA PRO 95 -11.441 9.217 9.541 747 HB2 PRO 95 2HB PRO 95 -11.628 11.983 9.707 748 HB3 PRO 95 1HB PRO 95 -13.010 10.878 9.593 749 HG2 PRO 95 2HG PRO 95 -11.864 12.238 11.969 750 HG3 PRO 95 1HG PRO 95 -13.551 11.860 11.583 751 HD2 PRO 95 2HD PRO 95 -12.115 10.414 13.384 752 HD3 PRO 95 1HD PRO 95 -13.393 9.690 12.385 753 H ASP 96 H ASP 96 -9.654 11.079 11.974 754 HA ASP 96 HA ASP 96 -7.411 11.375 10.020 755 HB2 ASP 96 2HB ASP 96 -8.049 12.909 12.548 756 HB3 ASP 96 1HB ASP 96 -6.588 13.144 11.587 757 H ASP 97 H ASP 97 -5.315 10.674 10.676 758 HA ASP 97 HA ASP 97 -5.362 8.803 12.990 759 HB2 ASP 97 2HB ASP 97 -3.580 8.982 10.553 760 HB3 ASP 97 1HB ASP 97 -3.302 7.870 11.893 761 H ASP 98 H ASP 98 -4.436 9.569 14.804 762 HA ASP 98 HA ASP 98 -2.531 11.804 14.702 763 HB2 ASP 98 2HB ASP 98 -3.706 10.199 16.979 764 HB3 ASP 98 1HB ASP 98 -2.611 11.562 17.198 765 H ARG 99 H ARG 99 -2.503 8.434 14.641 766 HA ARG 99 HA ARG 99 0.311 8.298 15.583 767 HB2 ARG 99 2HB ARG 99 -0.239 5.789 15.692 768 HB3 ARG 99 1HB ARG 99 -1.004 6.821 16.901 769 HG2 ARG 99 2HG ARG 99 -3.033 6.950 15.469 770 HG3 ARG 99 1HG ARG 99 -2.268 5.851 14.317 771 HD2 ARG 99 2HD ARG 99 -2.050 4.170 16.167 772 HD3 ARG 99 1HD ARG 99 -2.978 5.253 17.202 773 HE ARG 99 HE ARG 99 -4.367 4.703 14.719 774 HH11 ARG 99 1HH1 ARG 99 -6.197 3.384 14.871 775 HH12 ARG 99 2HH1 ARG 99 -6.443 2.427 16.293 776 HH21 ARG 99 1HH2 ARG 99 -3.543 3.517 17.851 777 HH22 ARG 99 2HH2 ARG 99 -4.940 2.502 17.979 778 H ALA 100 H ALA 100 -0.390 9.226 12.933 779 HA ALA 100 HA ALA 100 0.034 6.949 11.124 780 HB1 ALA 100 1HB ALA 100 -1.278 9.302 10.804 781 HB2 ALA 100 2HB ALA 100 -0.642 8.359 9.456 782 HB3 ALA 100 3HB ALA 100 0.281 9.719 10.093 783 H SER 101 H SER 101 1.898 6.634 9.868 784 HA SER 101 HA SER 101 4.347 7.972 10.923 785 HB2 SER 101 2HB SER 101 3.975 5.301 9.544 786 HB3 SER 101 1HB SER 101 5.536 5.975 9.999 787 HG SER 101 HG SER 101 4.969 5.837 12.123 788 H GLU 102 H GLU 102 6.160 8.063 9.198 789 HA GLU 102 HA GLU 102 4.966 9.153 6.685 790 HB2 GLU 102 2HB GLU 102 6.332 10.702 8.111 791 HB3 GLU 102 1HB GLU 102 7.719 9.647 7.849 792 HG2 GLU 102 2HG GLU 102 7.448 9.978 5.386 793 HG3 GLU 102 1HG GLU 102 6.163 11.137 5.722 794 H ILE 103 H ILE 103 5.636 8.339 4.717 795 HA ILE 103 HA ILE 103 7.663 6.137 4.785 796 HB ILE 103 HB ILE 103 5.160 6.288 3.078 797 HG12 ILE 103 2HG1 ILE 103 5.828 4.439 5.389 798 HG13 ILE 103 1HG1 ILE 103 4.763 5.842 5.515 799 HG21 ILE 103 1HG2 ILE 103 6.031 4.601 1.864 800 HG22 ILE 103 2HG2 ILE 103 6.448 3.700 3.321 801 HG23 ILE 103 3HG2 ILE 103 7.570 4.894 2.672 802 HD11 ILE 103 1HD1 ILE 103 3.394 3.867 5.153 803 HD12 ILE 103 2HD1 ILE 103 4.356 3.414 3.746 804 HD13 ILE 103 3HD1 ILE 103 3.346 4.859 3.695 805 H GLU 104 H GLU 104 9.222 6.226 3.214 806 HA GLU 104 HA GLU 104 9.001 8.459 1.229 807 HB2 GLU 104 2HB GLU 104 11.478 7.121 2.366 808 HB3 GLU 104 1HB GLU 104 11.474 8.430 1.183 809 HG2 GLU 104 2HG GLU 104 10.268 9.867 2.816 810 HG3 GLU 104 1HG GLU 104 10.371 8.567 4.004 811 H VAL 105 H VAL 105 8.719 7.769 -0.844 812 HA VAL 105 HA VAL 105 9.834 5.104 -1.588 813 HB VAL 105 HB VAL 105 7.209 6.161 -2.639 814 HG11 VAL 105 1HG1 VAL 105 8.447 4.391 -3.909 815 HG12 VAL 105 2HG1 VAL 105 6.883 3.841 -3.306 816 HG13 VAL 105 3HG1 VAL 105 8.363 3.361 -2.480 817 HG21 VAL 105 1HG2 VAL 105 6.469 4.172 -0.961 818 HG22 VAL 105 2HG2 VAL 105 6.501 5.867 -0.477 819 HG23 VAL 105 3HG2 VAL 105 7.852 4.808 -0.071 820 H ASP 106 H ASP 106 10.856 5.051 -3.571 821 HA ASP 106 HA ASP 106 10.659 7.512 -5.262 822 HB2 ASP 106 2HB ASP 106 12.795 7.445 -3.981 823 HB3 ASP 106 1HB ASP 106 13.160 5.883 -4.719 824 H PHE 107 H PHE 107 10.214 7.086 -7.376 825 HA PHE 107 HA PHE 107 10.405 4.248 -8.283 826 HB2 PHE 107 2HB PHE 107 8.550 6.495 -9.120 827 HB3 PHE 107 1HB PHE 107 8.620 4.920 -9.907 828 HD1 PHE 107 1HD PHE 107 8.207 6.465 -6.522 829 HD2 PHE 107 2HD PHE 107 7.289 3.168 -9.113 830 HE1 PHE 107 1HE PHE 107 6.675 5.544 -4.806 831 HE2 PHE 107 2HE PHE 107 5.759 2.242 -7.394 832 HZ PHE 107 HZ PHE 107 5.451 3.431 -5.239 833 H VAL 108 H VAL 108 11.789 3.858 -9.942 834 HA VAL 108 HA VAL 108 12.761 6.194 -11.534 835 HB VAL 108 HB VAL 108 14.425 3.750 -11.415 836 HG11 VAL 108 1HG1 VAL 108 14.976 6.718 -11.121 837 HG12 VAL 108 2HG1 VAL 108 15.128 5.783 -12.609 838 HG13 VAL 108 3HG1 VAL 108 16.208 5.462 -11.252 839 HG21 VAL 108 1HG2 VAL 108 15.378 4.736 -9.184 840 HG22 VAL 108 2HG2 VAL 108 13.955 3.697 -9.116 841 HG23 VAL 108 3HG2 VAL 108 13.773 5.448 -9.016 842 HA PRO 109 HA PRO 109 10.874 3.679 -14.780 843 HB2 PRO 109 2HB PRO 109 11.373 5.320 -16.889 844 HB3 PRO 109 1HB PRO 109 10.115 5.673 -15.687 845 HG2 PRO 109 2HG PRO 109 12.851 6.803 -15.946 846 HG3 PRO 109 1HG PRO 109 11.334 7.606 -15.514 847 HD2 PRO 109 2HD PRO 109 13.231 6.842 -13.666 848 HD3 PRO 109 1HD PRO 109 11.501 7.016 -13.289 849 H ASN 110 H ASN 110 11.925 1.924 -15.480 850 HA ASN 110 HA ASN 110 14.574 2.242 -16.794 851 HB2 ASN 110 2HB ASN 110 14.535 1.014 -14.555 852 HB3 ASN 110 1HB ASN 110 13.622 -0.247 -15.387 853 HD21 ASN 110 1HD2 ASN 110 14.935 -1.883 -16.189 854 HD22 ASN 110 2HD2 ASN 110 16.541 -1.688 -16.700 855 H GLY 111 H GLY 111 14.378 1.881 -18.952 856 HA2 GLY 111 2HA GLY 111 13.739 0.830 -20.954 857 HA3 GLY 111 1HA GLY 111 13.209 -0.539 -19.975 858 H SER 112 H SER 112 11.573 -0.156 -21.972 859 HA SER 112 HA SER 112 9.547 1.858 -21.611 860 HB2 SER 112 2HB SER 112 8.294 0.629 -23.280 861 HB3 SER 112 1HB SER 112 9.990 0.615 -23.753 862 HG SER 112 HG SER 112 9.931 -1.471 -23.603 863 H GLY 113 H GLY 113 10.089 -1.289 -20.190 864 HA2 GLY 113 2HA GLY 113 7.639 -0.874 -18.555 865 HA3 GLY 113 1HA GLY 113 7.842 -2.421 -19.382 866 H GLY 114 H GLY 114 10.302 -0.427 -17.720 867 HA2 GLY 114 2HA GLY 114 10.593 -2.612 -15.722 868 HA3 GLY 114 1HA GLY 114 12.017 -1.985 -16.549 869 H THR 115 H THR 115 10.538 -1.784 -13.671 870 HA THR 115 HA THR 115 11.478 1.020 -13.296 871 HB THR 115 HB THR 115 8.792 -0.103 -12.493 872 HG1 THR 115 1HG THR 115 8.997 2.440 -13.434 873 HG21 THR 115 1HG2 THR 115 8.542 2.122 -11.277 874 HG22 THR 115 2HG2 THR 115 10.296 2.276 -11.391 875 HG23 THR 115 3HG2 THR 115 9.584 0.936 -10.496 876 H ARG 116 H ARG 116 12.520 1.385 -11.390 877 HA ARG 116 HA ARG 116 12.762 -0.935 -9.518 878 HB2 ARG 116 2HB ARG 116 14.889 -0.141 -10.574 879 HB3 ARG 116 1HB ARG 116 14.612 1.454 -9.868 880 HG2 ARG 116 2HG ARG 116 14.582 0.400 -7.604 881 HG3 ARG 116 1HG ARG 116 14.991 -1.144 -8.351 882 HD2 ARG 116 2HD ARG 116 16.659 1.384 -8.514 883 HD3 ARG 116 1HD ARG 116 17.012 -0.010 -7.496 884 HE ARG 116 HE ARG 116 16.803 -1.046 -10.079 885 HH11 ARG 116 1HH1 ARG 116 18.618 -1.279 -11.408 886 HH12 ARG 116 2HH1 ARG 116 20.012 -0.292 -11.126 887 HH21 ARG 116 1HH2 ARG 116 18.613 1.383 -8.432 888 HH22 ARG 116 2HH2 ARG 116 20.011 1.214 -9.441 889 H VAL 117 H VAL 117 11.784 -0.636 -7.538 890 HA VAL 117 HA VAL 117 11.195 2.190 -6.730 891 HB VAL 117 HB VAL 117 9.480 -0.245 -6.217 892 HG11 VAL 117 1HG1 VAL 117 7.846 1.403 -5.413 893 HG12 VAL 117 2HG1 VAL 117 8.987 2.707 -5.745 894 HG13 VAL 117 3HG1 VAL 117 9.345 1.520 -4.488 895 HG21 VAL 117 1HG2 VAL 117 9.524 1.808 -8.379 896 HG22 VAL 117 2HG2 VAL 117 7.949 1.310 -7.761 897 HG23 VAL 117 3HG2 VAL 117 9.044 0.113 -8.448 898 H GLU 118 H GLU 118 11.646 2.747 -4.668 899 HA GLU 118 HA GLU 118 12.637 0.591 -2.838 900 HB2 GLU 118 2HB GLU 118 13.527 3.498 -2.963 901 HB3 GLU 118 1HB GLU 118 14.165 2.265 -1.877 902 HG2 GLU 118 2HG GLU 118 14.945 0.963 -3.836 903 HG3 GLU 118 1HG GLU 118 14.346 2.231 -4.905 904 H LEU 119 H LEU 119 10.834 0.313 -1.526 905 HA LEU 119 HA LEU 119 9.513 2.779 -0.494 906 HB2 LEU 119 2HB LEU 119 8.121 1.062 -1.714 907 HB3 LEU 119 1HB LEU 119 8.472 -0.057 -0.409 908 HG LEU 119 HG LEU 119 7.441 2.613 0.401 909 HD11 LEU 119 1HD1 LEU 119 5.647 0.488 -0.810 910 HD12 LEU 119 2HD1 LEU 119 6.053 2.017 -1.589 911 HD13 LEU 119 3HD1 LEU 119 5.126 2.011 -0.089 912 HD21 LEU 119 1HD2 LEU 119 6.914 -0.260 1.230 913 HD22 LEU 119 2HD2 LEU 119 6.159 1.143 1.983 914 HD23 LEU 119 3HD2 LEU 119 7.903 0.918 2.091 915 H ALA 120 H ALA 120 9.771 3.287 1.622 916 HA ALA 120 HA ALA 120 10.680 1.131 3.481 917 HB1 ALA 120 1HB ALA 120 12.358 3.085 2.583 918 HB2 ALA 120 2HB ALA 120 12.509 2.311 4.162 919 HB3 ALA 120 3HB ALA 120 11.684 3.862 4.014 920 H HIS 121 H HIS 121 9.605 1.110 5.399 921 HA HIS 121 HA HIS 121 7.804 3.424 6.014 922 HB2 HIS 121 2HB HIS 121 6.106 1.976 6.580 923 HB3 HIS 121 1HB HIS 121 6.939 0.924 5.437 924 HD1 HIS 121 1HD HIS 121 5.690 0.919 8.789 925 HD2 HIS 121 2HD HIS 121 9.067 -0.688 6.949 926 HE1 HIS 121 1HE HIS 121 6.565 -0.879 10.349 927 HE2 HIS 121 2HE HIS 121 8.615 -1.871 9.231 928 H VAL 122 H VAL 122 8.201 4.382 7.996 929 HA VAL 122 HA VAL 122 9.828 2.821 9.952 930 HB VAL 122 HB VAL 122 11.107 4.916 10.424 931 HG11 VAL 122 1HG1 VAL 122 12.617 4.045 9.008 932 HG12 VAL 122 2HG1 VAL 122 11.748 4.724 7.630 933 HG13 VAL 122 3HG1 VAL 122 11.329 3.122 8.237 934 HG21 VAL 122 1HG2 VAL 122 9.059 6.084 8.909 935 HG22 VAL 122 2HG2 VAL 122 10.473 6.150 7.858 936 HG23 VAL 122 3HG2 VAL 122 10.532 6.884 9.459 937 H LYS 123 H LYS 123 9.669 3.522 12.140 938 HA LYS 123 HA LYS 123 8.468 4.141 14.039 939 HB2 LYS 123 2HB LYS 123 7.935 6.457 12.176 940 HB3 LYS 123 1HB LYS 123 7.300 6.420 13.821 941 HG2 LYS 123 2HG LYS 123 9.401 7.584 13.912 942 HG3 LYS 123 1HG LYS 123 9.669 5.989 14.616 943 HD2 LYS 123 2HD LYS 123 10.745 5.186 12.657 944 HD3 LYS 123 1HD LYS 123 10.172 6.547 11.692 945 HE2 LYS 123 2HE LYS 123 12.107 6.759 14.016 946 HE3 LYS 123 1HE LYS 123 12.570 6.774 12.313 947 HZ1 LYS 123 1HZ LYS 123 11.097 8.798 13.854 948 HZ2 LYS 123 2HZ LYS 123 10.838 8.674 12.179 949 HZ3 LYS 123 3HZ LYS 123 12.393 9.001 12.780 950 H LEU 124 H LEU 124 7.153 2.411 12.038 951 HA LEU 124 HA LEU 124 4.356 3.174 11.922 952 HB2 LEU 124 2HB LEU 124 5.738 1.431 10.507 953 HB3 LEU 124 1HB LEU 124 5.257 0.326 11.792 954 HG LEU 124 HG LEU 124 2.881 1.455 11.372 955 HD11 LEU 124 1HD1 LEU 124 2.518 2.285 9.232 956 HD12 LEU 124 2HD1 LEU 124 3.904 1.430 8.555 957 HD13 LEU 124 3HD1 LEU 124 4.153 2.872 9.539 958 HD21 LEU 124 1HD2 LEU 124 4.225 -0.743 9.798 959 HD22 LEU 124 2HD2 LEU 124 2.506 -0.388 9.625 960 HD23 LEU 124 3HD2 LEU 124 3.148 -0.899 11.184 961 H HIS 125 H HIS 125 6.387 1.174 14.000 962 HA HIS 125 HA HIS 125 4.540 -0.072 15.665 963 HB2 HIS 125 2HB HIS 125 6.986 -0.316 15.913 964 HB3 HIS 125 1HB HIS 125 7.072 1.327 16.544 965 HD1 HIS 125 1HD HIS 125 4.999 -1.788 17.348 966 HD2 HIS 125 2HD HIS 125 7.023 1.295 19.297 967 HE1 HIS 125 1HE HIS 125 4.732 -2.212 19.832 968 HE2 HIS 125 2HE HIS 125 5.960 -0.342 21.027 969 H ARG 126 H ARG 126 4.899 3.236 15.124 970 HA ARG 126 HA ARG 126 4.305 4.496 17.521 971 HB2 ARG 126 2HB ARG 126 4.592 5.615 15.294 972 HB3 ARG 126 1HB ARG 126 2.950 5.118 14.894 973 HG2 ARG 126 2HG ARG 126 2.079 6.365 16.822 974 HG3 ARG 126 1HG ARG 126 3.719 6.846 17.261 975 HD2 ARG 126 2HD ARG 126 3.950 7.965 15.047 976 HD3 ARG 126 1HD ARG 126 2.272 7.557 14.693 977 HE ARG 126 HE ARG 126 1.636 9.364 16.059 978 HH11 ARG 126 1HH1 ARG 126 2.019 10.999 17.572 979 HH12 ARG 126 2HH1 ARG 126 3.539 11.053 18.402 980 HH21 ARG 126 1HH2 ARG 126 4.811 8.249 16.807 981 HH22 ARG 126 2HH2 ARG 126 5.120 9.496 17.969 982 H HIS 127 H HIS 127 2.127 2.522 15.531 983 HA HIS 127 HA HIS 127 -0.205 3.255 17.130 984 HB2 HIS 127 2HB HIS 127 -1.094 1.039 15.974 985 HB3 HIS 127 1HB HIS 127 -0.953 2.534 15.063 986 HD1 HIS 127 1HD HIS 127 1.992 0.344 15.990 987 HD2 HIS 127 2HD HIS 127 -0.260 1.357 12.631 988 HE1 HIS 127 1HE HIS 127 3.170 -0.673 13.990 989 HE2 HIS 127 2HE HIS 127 1.818 -0.050 11.944 990 H GLY 128 H GLY 128 2.380 1.001 17.456 991 HA2 GLY 128 2HA GLY 128 2.846 -0.202 19.472 992 HA3 GLY 128 1HA GLY 128 1.171 0.043 19.973 993 H ASP 129 H ASP 129 1.322 -2.323 20.487 994 HA ASP 129 HA ASP 129 1.606 -4.257 18.364 995 HB2 ASP 129 2HB ASP 129 0.780 -5.875 20.006 996 HB3 ASP 129 1HB ASP 129 1.959 -4.803 20.762 997 H GLY 130 H GLY 130 -0.142 -5.651 17.556 998 HA2 GLY 130 2HA GLY 130 -2.446 -6.098 17.031 999 HA3 GLY 130 1HA GLY 130 -2.886 -4.545 17.757 1000 H ALA 131 H ALA 131 -0.363 -3.601 16.119 1001 HA ALA 131 HA ALA 131 -1.802 -2.343 14.005 1002 HB1 ALA 131 1HB ALA 131 0.486 -1.810 13.135 1003 HB2 ALA 131 2HB ALA 131 1.156 -2.847 14.394 1004 HB3 ALA 131 3HB ALA 131 0.257 -1.398 14.833 1005 H TRP 132 H TRP 132 0.370 -5.195 14.013 1006 HA TRP 132 HA TRP 132 0.316 -5.664 11.230 1007 HB2 TRP 132 2HB TRP 132 1.745 -6.901 12.912 1008 HB3 TRP 132 1HB TRP 132 0.315 -7.856 13.320 1009 HD1 TRP 132 HD TRP 132 -0.676 -9.450 11.419 1010 HE1 TRP 132 1HE TRP 132 0.410 -10.487 9.324 1011 HE3 TRP 132 3HE TRP 132 3.521 -6.535 11.050 1012 HZ2 TRP 132 2HZ TRP 132 2.737 -10.133 7.712 1013 HZ3 TRP 132 3HZ TRP 132 5.147 -6.918 9.225 1014 HH2 TRP 132 HH TRP 132 4.764 -8.710 7.556 1015 H ASN 133 H ASN 133 -2.075 -6.363 13.716 1016 HA ASN 133 HA ASN 133 -3.746 -8.155 12.287 1017 HB2 ASN 133 2HB ASN 133 -4.008 -7.257 14.698 1018 HB3 ASN 133 1HB ASN 133 -4.807 -5.870 13.962 1019 HD21 ASN 133 1HD2 ASN 133 -6.871 -6.536 14.983 1020 HD22 ASN 133 2HD2 ASN 133 -7.758 -7.837 14.349 1021 H ILE 134 H ILE 134 -3.529 -4.622 12.235 1022 HA ILE 134 HA ILE 134 -5.634 -4.108 10.388 1023 HB ILE 134 HB ILE 134 -2.988 -2.675 10.712 1024 HG12 ILE 134 2HG1 ILE 134 -5.667 -2.105 12.016 1025 HG13 ILE 134 1HG1 ILE 134 -4.325 -2.922 12.824 1026 HG21 ILE 134 1HG2 ILE 134 -4.343 -0.732 9.875 1027 HG22 ILE 134 2HG2 ILE 134 -5.633 -1.876 9.500 1028 HG23 ILE 134 3HG2 ILE 134 -4.075 -2.006 8.685 1029 HD11 ILE 134 1HD1 ILE 134 -3.855 -0.764 13.476 1030 HD12 ILE 134 2HD1 ILE 134 -4.609 -0.056 12.048 1031 HD13 ILE 134 3HD1 ILE 134 -3.000 -0.764 11.936 1032 H HIS 135 H HIS 135 -2.179 -4.756 9.981 1033 HA HIS 135 HA HIS 135 -2.111 -4.694 7.128 1034 HB2 HIS 135 2HB HIS 135 -0.031 -4.612 8.359 1035 HB3 HIS 135 1HB HIS 135 -0.384 -6.153 9.145 1036 HD1 HIS 135 1HD HIS 135 -1.399 -6.111 5.665 1037 HD2 HIS 135 2HD HIS 135 2.078 -7.049 7.752 1038 HE1 HIS 135 1HE HIS 135 0.029 -7.431 4.061 1039 HE2 HIS 135 2HE HIS 135 2.173 -8.011 5.316 1040 H LYS 136 H LYS 136 -2.971 -7.203 9.454 1041 HA LYS 136 HA LYS 136 -2.887 -9.466 7.789 1042 HB2 LYS 136 2HB LYS 136 -3.509 -9.449 10.239 1043 HB3 LYS 136 1HB LYS 136 -5.097 -8.871 9.761 1044 HG2 LYS 136 2HG LYS 136 -5.392 -10.860 8.345 1045 HG3 LYS 136 1HG LYS 136 -3.822 -11.455 8.872 1046 HD2 LYS 136 2HD LYS 136 -4.648 -11.399 11.233 1047 HD3 LYS 136 1HD LYS 136 -6.242 -10.949 10.625 1048 HE2 LYS 136 2HE LYS 136 -5.159 -13.275 9.232 1049 HE3 LYS 136 1HE LYS 136 -5.298 -13.548 10.969 1050 HZ1 LYS 136 1HZ LYS 136 -7.407 -14.040 10.389 1051 HZ2 LYS 136 2HZ LYS 136 -7.377 -13.084 8.984 1052 HZ3 LYS 136 3HZ LYS 136 -7.611 -12.360 10.504 1053 H ALA 137 H ALA 137 -5.273 -6.858 7.972 1054 HA ALA 137 HA ALA 137 -7.172 -8.077 6.176 1055 HB1 ALA 137 1HB ALA 137 -7.705 -5.550 5.697 1056 HB2 ALA 137 2HB ALA 137 -6.597 -5.261 7.035 1057 HB3 ALA 137 3HB ALA 137 -8.056 -6.219 7.289 1058 H LEU 138 H LEU 138 -4.407 -5.876 5.662 1059 HA LEU 138 HA LEU 138 -4.752 -5.736 2.803 1060 HB2 LEU 138 2HB LEU 138 -2.253 -5.362 4.476 1061 HB3 LEU 138 1HB LEU 138 -2.406 -4.929 2.779 1062 HG LEU 138 HG LEU 138 -4.079 -3.797 5.039 1063 HD11 LEU 138 1HD1 LEU 138 -2.046 -2.386 3.296 1064 HD12 LEU 138 2HD1 LEU 138 -1.632 -3.078 4.864 1065 HD13 LEU 138 3HD1 LEU 138 -2.821 -1.780 4.760 1066 HD21 LEU 138 1HD2 LEU 138 -5.495 -3.613 3.209 1067 HD22 LEU 138 2HD2 LEU 138 -4.165 -3.583 2.052 1068 HD23 LEU 138 3HD2 LEU 138 -4.542 -2.144 2.999 1069 H ASP 139 H ASP 139 -3.142 -8.006 4.954 1070 HA ASP 139 HA ASP 139 -2.291 -10.141 4.549 1071 HB2 ASP 139 2HB ASP 139 -4.297 -9.690 2.502 1072 HB3 ASP 139 1HB ASP 139 -3.009 -10.732 1.908 1073 H GLY 140 H GLY 140 -0.107 -9.920 4.453 1074 HA2 GLY 140 2HA GLY 140 1.080 -9.567 1.749 1075 HA3 GLY 140 1HA GLY 140 1.710 -8.607 3.089 1076 HA PRO 141 HA PRO 141 2.544 -13.325 4.214 1077 HB2 PRO 141 2HB PRO 141 2.409 -14.442 1.464 1078 HB3 PRO 141 1HB PRO 141 1.830 -15.132 2.991 1079 HG2 PRO 141 2HG PRO 141 0.155 -14.134 1.163 1080 HG3 PRO 141 1HG PRO 141 -0.160 -14.009 2.902 1081 HD2 PRO 141 2HD PRO 141 0.751 -11.896 0.997 1082 HD3 PRO 141 1HD PRO 141 -0.262 -11.750 2.449 1083 H SER 142 H SER 142 4.699 -14.118 4.212 1084 HA SER 142 HA SER 142 6.760 -12.540 3.204 1085 HB2 SER 142 2HB SER 142 7.922 -14.030 4.423 1086 HB3 SER 142 1HB SER 142 6.549 -15.132 4.433 1087 HG SER 142 HG SER 142 7.342 -15.560 2.146 1088 HA PRO 143 HA PRO 143 6.969 -15.114 -0.801 1089 HB2 PRO 143 2HB PRO 143 5.172 -17.079 -1.275 1090 HB3 PRO 143 1HB PRO 143 6.629 -17.346 -0.298 1091 HG2 PRO 143 2HG PRO 143 3.816 -16.979 0.562 1092 HG3 PRO 143 1HG PRO 143 5.092 -17.988 1.261 1093 HD2 PRO 143 2HD PRO 143 4.291 -15.492 2.236 1094 HD3 PRO 143 1HD PRO 143 5.818 -16.308 2.627 1095 H GLY 144 H GLY 144 3.456 -15.295 -0.095 1096 HA2 GLY 144 2HA GLY 144 2.740 -14.125 -2.654 1097 HA3 GLY 144 1HA GLY 144 1.635 -14.407 -1.303 1098 H GLU 145 H GLU 145 4.528 -12.699 -0.619 1099 HA GLU 145 HA GLU 145 3.405 -10.476 0.580 1100 HB2 GLU 145 2HB GLU 145 5.544 -9.423 0.364 1101 HB3 GLU 145 1HB GLU 145 5.854 -11.149 0.494 1102 HG2 GLU 145 2HG GLU 145 5.932 -11.261 -2.015 1103 HG3 GLU 145 1HG GLU 145 5.817 -9.502 -2.049 1104 H THR 146 H THR 146 3.836 -8.105 -0.396 1105 HA THR 146 HA THR 146 1.878 -7.661 -2.397 1106 HB THR 146 HB THR 146 4.228 -5.837 -1.927 1107 HG1 THR 146 1HG THR 146 3.582 -5.568 0.025 1108 HG21 THR 146 1HG2 THR 146 1.496 -4.780 -2.126 1109 HG22 THR 146 2HG2 THR 146 2.046 -5.625 -3.574 1110 HG23 THR 146 3HG2 THR 146 2.968 -4.258 -2.947 1111 H LEU 147 H LEU 147 5.414 -7.833 -2.648 1112 HA LEU 147 HA LEU 147 5.681 -7.211 -5.377 1113 HB2 LEU 147 2HB LEU 147 7.314 -9.164 -3.732 1114 HB3 LEU 147 1HB LEU 147 7.816 -8.428 -5.254 1115 HG LEU 147 HG LEU 147 6.912 -6.357 -3.498 1116 HD11 LEU 147 1HD1 LEU 147 8.904 -8.305 -2.324 1117 HD12 LEU 147 2HD1 LEU 147 7.397 -7.740 -1.602 1118 HD13 LEU 147 3HD1 LEU 147 8.759 -6.634 -1.777 1119 HD21 LEU 147 1HD2 LEU 147 9.648 -7.119 -4.552 1120 HD22 LEU 147 2HD2 LEU 147 9.250 -5.560 -3.829 1121 HD23 LEU 147 3HD2 LEU 147 8.490 -6.052 -5.344 1122 H ALA 148 H ALA 148 4.717 -10.240 -3.854 1123 HA ALA 148 HA ALA 148 5.021 -11.842 -6.231 1124 HB1 ALA 148 1HB ALA 148 4.590 -13.475 -4.756 1125 HB2 ALA 148 2HB ALA 148 2.942 -12.875 -4.561 1126 HB3 ALA 148 3HB ALA 148 4.235 -12.256 -3.532 1127 H ARG 149 H ARG 149 2.080 -10.499 -4.694 1128 HA ARG 149 HA ARG 149 0.415 -11.320 -6.894 1129 HB2 ARG 149 2HB ARG 149 -1.258 -9.734 -5.735 1130 HB3 ARG 149 1HB ARG 149 -0.708 -11.153 -4.848 1131 HG2 ARG 149 2HG ARG 149 0.220 -9.875 -3.242 1132 HG3 ARG 149 1HG ARG 149 1.094 -8.915 -4.432 1133 HD2 ARG 149 2HD ARG 149 -0.736 -7.420 -4.733 1134 HD3 ARG 149 1HD ARG 149 -1.853 -8.507 -3.905 1135 HE ARG 149 HE ARG 149 0.167 -7.845 -2.047 1136 HH11 ARG 149 1HH1 ARG 149 -0.181 -6.189 -0.548 1137 HH12 ARG 149 2HH1 ARG 149 -1.382 -4.985 -0.872 1138 HH21 ARG 149 1HH2 ARG 149 -2.309 -6.350 -3.922 1139 HH22 ARG 149 2HH2 ARG 149 -2.587 -5.076 -2.781 1140 H PHE 150 H PHE 150 1.440 -8.019 -5.878 1141 HA PHE 150 HA PHE 150 0.199 -6.847 -8.217 1142 HB2 PHE 150 2HB PHE 150 0.404 -4.978 -7.010 1143 HB3 PHE 150 1HB PHE 150 1.248 -5.912 -5.771 1144 HD1 PHE 150 1HD PHE 150 3.763 -6.398 -6.245 1145 HD2 PHE 150 2HD PHE 150 1.545 -3.243 -8.097 1146 HE1 PHE 150 1HE PHE 150 5.871 -5.249 -6.763 1147 HE2 PHE 150 2HE PHE 150 3.667 -2.066 -8.628 1148 HZ PHE 150 HZ PHE 150 5.835 -3.074 -7.962 1149 H ALA 151 H ALA 151 3.589 -7.726 -7.476 1150 HA ALA 151 HA ALA 151 4.604 -6.383 -9.826 1151 HB1 ALA 151 1HB ALA 151 5.828 -7.357 -7.649 1152 HB2 ALA 151 2HB ALA 151 6.674 -7.100 -9.173 1153 HB3 ALA 151 3HB ALA 151 6.101 -8.711 -8.747 1154 H ASN 152 H ASN 152 3.751 -9.773 -9.168 1155 HA ASN 152 HA ASN 152 4.584 -10.786 -11.705 1156 HB2 ASN 152 2HB ASN 152 3.572 -12.778 -11.088 1157 HB3 ASN 152 1HB ASN 152 3.796 -12.019 -9.512 1158 HD21 ASN 152 1HD2 ASN 152 1.864 -10.815 -8.619 1159 HD22 ASN 152 2HD2 ASN 152 0.305 -11.326 -9.069 1160 H VAL 153 H VAL 153 1.436 -9.509 -10.650 1161 HA VAL 153 HA VAL 153 0.082 -10.085 -13.118 1162 HB VAL 153 HB VAL 153 -1.572 -8.416 -12.297 1163 HG11 VAL 153 1HG1 VAL 153 -0.598 -10.771 -10.841 1164 HG12 VAL 153 2HG1 VAL 153 -2.250 -10.329 -11.276 1165 HG13 VAL 153 3HG1 VAL 153 -1.510 -9.655 -9.824 1166 HG21 VAL 153 1HG2 VAL 153 -1.083 -7.503 -9.978 1167 HG22 VAL 153 2HG2 VAL 153 -0.140 -6.791 -11.282 1168 HG23 VAL 153 3HG2 VAL 153 0.579 -8.006 -10.230 1169 H ILE 154 H ILE 154 1.856 -7.237 -11.950 1170 HA ILE 154 HA ILE 154 1.140 -5.531 -14.111 1171 HB ILE 154 HB ILE 154 3.524 -5.571 -12.271 1172 HG12 ILE 154 2HG1 ILE 154 1.208 -3.634 -12.524 1173 HG13 ILE 154 1HG1 ILE 154 1.248 -4.968 -11.376 1174 HG21 ILE 154 1HG2 ILE 154 3.761 -3.156 -13.232 1175 HG22 ILE 154 2HG2 ILE 154 2.885 -3.811 -14.613 1176 HG23 ILE 154 3HG2 ILE 154 4.432 -4.510 -14.139 1177 HD11 ILE 154 1HD1 ILE 154 1.998 -2.879 -10.308 1178 HD12 ILE 154 2HD1 ILE 154 3.266 -2.712 -11.522 1179 HD13 ILE 154 3HD1 ILE 154 3.310 -4.056 -10.382 1180 HBC 969 201 HBC PDM 155 8.372 -7.251 2.000 1181 HBD 969 201 HBD PDM 155 7.621 -7.737 0.462 1182 HBE 969 201 HBE PDM 155 7.953 -8.957 1.714 1183 HBA 969 201 HBA PDM 155 5.759 -8.644 2.259 1184 HBB 969 201 HBB PDM 155 6.372 -7.212 3.113 1185 HA0 969 201 0HA PDM 155 3.542 -5.842 1.561 1186 HAY 969 201 HAY PDM 155 3.906 -7.189 2.669 1187 HAZ 969 201 HAZ PDM 155 3.431 -7.520 0.985 1188 HBF 969 201 HBF PDM 155 6.277 -7.945 -0.190 1189 HAQ 969 201 HAQ PDM 155 5.281 -4.111 -5.118 1190 HAL 969 201 HAL PDM 155 7.323 -3.940 -6.797 1191 HAM 969 201 HAM PDM 155 9.245 -2.377 -6.800 1192 HAN 969 201 HAN PDM 155 10.188 -1.574 -4.658 1193 HAE 969 201 HAE PDM 155 10.230 -1.596 0.146 1194 HAS 969 201 HAS PDM 155 10.561 -2.070 2.313 1195 HAT 969 201 HAT PDM 155 9.636 -3.325 3.174 1196 HAU 969 201 HAU PDM 155 9.006 -1.665 3.081 1197 HAV 969 201 HAV PDM 155 5.672 -5.238 3.441 Start of MODEL 12 1 H1 MET 1 1HT MET 1 5.681 -10.770 9.778 2 H2 MET 1 2HT MET 1 4.315 -9.817 10.106 3 H3 MET 1 3HT MET 1 4.366 -10.782 8.709 4 HA MET 1 HA MET 1 3.037 -12.025 10.105 5 HB2 MET 1 2HB MET 1 5.620 -12.931 9.496 6 HB3 MET 1 1HB MET 1 5.375 -13.368 11.188 7 HG2 MET 1 2HG MET 1 3.196 -14.405 10.575 8 HG3 MET 1 1HG MET 1 3.527 -14.041 8.882 9 HE1 MET 1 1HE MET 1 3.240 -17.428 10.024 10 HE2 MET 1 2HE MET 1 3.978 -17.567 8.431 11 HE3 MET 1 3HE MET 1 2.814 -16.283 8.744 12 HA PRO 2 HA PRO 2 5.039 -11.441 14.541 13 HB2 PRO 2 2HB PRO 2 6.475 -8.893 14.150 14 HB3 PRO 2 1HB PRO 2 7.009 -10.374 14.967 15 HG2 PRO 2 2HG PRO 2 7.986 -9.585 12.585 16 HG3 PRO 2 1HG PRO 2 7.846 -11.287 13.056 17 HD2 PRO 2 2HD PRO 2 6.151 -9.705 11.173 18 HD3 PRO 2 1HD PRO 2 6.584 -11.431 11.128 19 H GLU 3 H GLU 3 3.910 -10.286 16.137 20 HA GLU 3 HA GLU 3 1.717 -8.644 15.320 21 HB2 GLU 3 2HB GLU 3 3.014 -8.988 18.043 22 HB3 GLU 3 1HB GLU 3 1.456 -8.214 17.761 23 HG2 GLU 3 2HG GLU 3 0.617 -10.312 16.734 24 HG3 GLU 3 1HG GLU 3 2.161 -11.084 17.094 25 H GLU 4 H GLU 4 5.013 -7.942 16.225 26 HA GLU 4 HA GLU 4 4.471 -5.042 16.441 27 HB2 GLU 4 2HB GLU 4 6.058 -6.187 18.003 28 HB3 GLU 4 1HB GLU 4 7.097 -6.523 16.620 29 HG2 GLU 4 2HG GLU 4 7.218 -4.077 16.155 30 HG3 GLU 4 1HG GLU 4 6.271 -3.783 17.616 31 H ILE 5 H ILE 5 5.175 -3.544 14.908 32 HA ILE 5 HA ILE 5 6.286 -4.695 12.380 33 HB ILE 5 HB ILE 5 4.939 -2.102 12.163 34 HG12 ILE 5 2HG1 ILE 5 3.537 -3.181 13.919 35 HG13 ILE 5 1HG1 ILE 5 2.679 -2.924 12.408 36 HG21 ILE 5 1HG2 ILE 5 5.624 -3.370 10.224 37 HG22 ILE 5 2HG2 ILE 5 3.862 -3.287 10.268 38 HG23 ILE 5 3HG2 ILE 5 4.686 -4.761 10.767 39 HD11 ILE 5 1HD1 ILE 5 2.476 -5.137 11.999 40 HD12 ILE 5 2HD1 ILE 5 2.769 -5.305 13.730 41 HD13 ILE 5 3HD1 ILE 5 4.099 -5.492 12.589 42 HA PRO 6 HA PRO 6 9.369 -1.624 13.836 43 HB2 PRO 6 2HB PRO 6 11.588 -3.068 13.179 44 HB3 PRO 6 1HB PRO 6 10.700 -3.301 14.698 45 HG2 PRO 6 2HG PRO 6 10.745 -4.972 12.264 46 HG3 PRO 6 1HG PRO 6 10.492 -5.434 13.953 47 HD2 PRO 6 2HD PRO 6 8.482 -5.128 12.001 48 HD3 PRO 6 1HD PRO 6 8.226 -5.267 13.753 49 H ASP 7 H ASP 7 11.141 -0.509 12.577 50 HA ASP 7 HA ASP 7 10.272 0.134 9.934 51 HB2 ASP 7 2HB ASP 7 12.386 1.427 9.807 52 HB3 ASP 7 1HB ASP 7 11.531 1.719 11.320 53 H VAL 8 H VAL 8 10.676 -0.876 8.045 54 HA VAL 8 HA VAL 8 13.150 -2.499 7.772 55 HB VAL 8 HB VAL 8 11.374 -4.108 8.332 56 HG11 VAL 8 1HG1 VAL 8 9.952 -2.803 5.999 57 HG12 VAL 8 2HG1 VAL 8 9.375 -2.999 7.653 58 HG13 VAL 8 3HG1 VAL 8 9.523 -4.402 6.600 59 HG21 VAL 8 1HG2 VAL 8 11.838 -4.350 5.365 60 HG22 VAL 8 2HG2 VAL 8 11.839 -5.619 6.591 61 HG23 VAL 8 3HG2 VAL 8 13.184 -4.482 6.497 62 H ARG 9 H ARG 9 14.045 -2.393 5.694 63 HA ARG 9 HA ARG 9 12.512 -0.754 3.705 64 HB2 ARG 9 2HB ARG 9 14.393 0.499 4.766 65 HB3 ARG 9 1HB ARG 9 15.505 -0.732 4.164 66 HG2 ARG 9 2HG ARG 9 14.794 -0.241 1.848 67 HG3 ARG 9 1HG ARG 9 13.705 1.008 2.453 68 HD2 ARG 9 2HD ARG 9 15.738 2.103 1.750 69 HD3 ARG 9 1HD ARG 9 15.710 2.120 3.514 70 HE ARG 9 HE ARG 9 17.091 -0.221 2.704 71 HH11 ARG 9 1HH1 ARG 9 19.351 -0.225 2.706 72 HH12 ARG 9 2HH1 ARG 9 20.207 1.280 2.652 73 HH21 ARG 9 1HH2 ARG 9 17.331 3.216 2.578 74 HH22 ARG 9 2HH2 ARG 9 19.062 3.228 2.579 75 H LYS 10 H LYS 10 12.247 -1.743 1.772 76 HA LYS 10 HA LYS 10 14.245 -3.778 0.919 77 HB2 LYS 10 2HB LYS 10 11.239 -4.184 0.875 78 HB3 LYS 10 1HB LYS 10 12.429 -5.288 0.185 79 HG2 LYS 10 2HG LYS 10 13.461 -5.524 2.446 80 HG3 LYS 10 1HG LYS 10 12.170 -4.521 3.106 81 HD2 LYS 10 2HD LYS 10 10.503 -6.160 2.226 82 HD3 LYS 10 1HD LYS 10 11.838 -7.190 1.709 83 HE2 LYS 10 2HE LYS 10 12.596 -6.844 4.245 84 HE3 LYS 10 1HE LYS 10 10.866 -6.587 4.468 85 HZ1 LYS 10 1HZ LYS 10 10.370 -8.704 3.713 86 HZ2 LYS 10 2HZ LYS 10 11.777 -8.959 4.631 87 HZ3 LYS 10 3HZ LYS 10 11.865 -8.901 2.935 88 H SER 11 H SER 11 14.099 -4.197 -1.453 89 HA SER 11 HA SER 11 12.539 -2.274 -3.029 90 HB2 SER 11 2HB SER 11 14.496 -1.311 -4.135 91 HB3 SER 11 1HB SER 11 14.532 -0.990 -2.400 92 HG SER 11 HG SER 11 15.847 -2.991 -2.315 93 H VAL 12 H VAL 12 12.354 -2.876 -5.215 94 HA VAL 12 HA VAL 12 13.931 -5.122 -6.253 95 HB VAL 12 HB VAL 12 11.018 -5.398 -5.560 96 HG11 VAL 12 1HG1 VAL 12 11.027 -6.155 -7.792 97 HG12 VAL 12 2HG1 VAL 12 11.306 -7.628 -6.863 98 HG13 VAL 12 3HG1 VAL 12 12.657 -6.815 -7.651 99 HG21 VAL 12 1HG2 VAL 12 11.951 -7.650 -4.740 100 HG22 VAL 12 2HG2 VAL 12 12.424 -6.222 -3.823 101 HG23 VAL 12 3HG2 VAL 12 13.548 -6.943 -4.974 102 H VAL 13 H VAL 13 13.538 -5.465 -8.546 103 HA VAL 13 HA VAL 13 12.295 -3.077 -9.815 104 HB VAL 13 HB VAL 13 14.261 -5.055 -11.003 105 HG11 VAL 13 1HG1 VAL 13 13.307 -2.343 -11.988 106 HG12 VAL 13 2HG1 VAL 13 12.765 -3.891 -12.634 107 HG13 VAL 13 3HG1 VAL 13 14.452 -3.405 -12.807 108 HG21 VAL 13 1HG2 VAL 13 14.813 -3.240 -9.051 109 HG22 VAL 13 2HG2 VAL 13 15.015 -2.236 -10.487 110 HG23 VAL 13 3HG2 VAL 13 15.969 -3.707 -10.299 111 H VAL 14 H VAL 14 10.603 -3.327 -11.190 112 HA VAL 14 HA VAL 14 9.738 -6.122 -11.820 113 HB VAL 14 HB VAL 14 8.293 -5.146 -10.078 114 HG11 VAL 14 1HG1 VAL 14 7.001 -3.109 -10.553 115 HG12 VAL 14 2HG1 VAL 14 7.792 -2.960 -12.123 116 HG13 VAL 14 3HG1 VAL 14 8.730 -2.770 -10.641 117 HG21 VAL 14 1HG2 VAL 14 6.143 -5.362 -11.256 118 HG22 VAL 14 2HG2 VAL 14 7.269 -6.597 -11.814 119 HG23 VAL 14 3HG2 VAL 14 6.954 -5.174 -12.806 120 H ALA 15 H ALA 15 8.579 -6.332 -13.856 121 HA ALA 15 HA ALA 15 9.586 -4.542 -15.907 122 HB1 ALA 15 1HB ALA 15 9.027 -6.235 -17.306 123 HB2 ALA 15 2HB ALA 15 7.362 -6.253 -16.724 124 HB3 ALA 15 3HB ALA 15 8.609 -7.151 -15.859 125 H ALA 16 H ALA 16 8.702 -2.462 -15.536 126 HA ALA 16 HA ALA 16 6.031 -1.978 -16.492 127 HB1 ALA 16 1HB ALA 16 4.813 -1.662 -14.552 128 HB2 ALA 16 2HB ALA 16 6.246 -1.301 -13.588 129 HB3 ALA 16 3HB ALA 16 5.871 -2.968 -14.021 130 H SER 17 H SER 17 5.509 0.376 -16.299 131 HA SER 17 HA SER 17 7.997 1.992 -16.113 132 HB2 SER 17 2HB SER 17 6.838 3.650 -17.448 133 HB3 SER 17 1HB SER 17 6.590 2.087 -18.222 134 HG SER 17 HG SER 17 4.587 2.002 -16.979 135 H VAL 18 H VAL 18 7.908 3.962 -14.776 136 HA VAL 18 HA VAL 18 6.543 3.605 -12.317 137 HB VAL 18 HB VAL 18 7.293 5.821 -11.744 138 HG11 VAL 18 1HG1 VAL 18 8.930 3.788 -12.653 139 HG12 VAL 18 2HG1 VAL 18 9.480 5.217 -11.778 140 HG13 VAL 18 3HG1 VAL 18 9.523 5.191 -13.532 141 HG21 VAL 18 1HG2 VAL 18 7.170 6.180 -14.693 142 HG22 VAL 18 2HG2 VAL 18 8.490 7.000 -13.864 143 HG23 VAL 18 3HG2 VAL 18 6.821 7.335 -13.407 144 H GLU 19 H GLU 19 5.639 5.456 -15.203 145 HA GLU 19 HA GLU 19 3.333 6.710 -14.066 146 HB2 GLU 19 2HB GLU 19 4.341 7.293 -16.296 147 HB3 GLU 19 1HB GLU 19 3.679 5.786 -16.925 148 HG2 GLU 19 2HG GLU 19 1.401 6.536 -16.250 149 HG3 GLU 19 1HG GLU 19 2.093 8.074 -15.733 150 H HIS 20 H HIS 20 3.862 3.574 -15.615 151 HA HIS 20 HA HIS 20 1.110 2.731 -15.550 152 HB2 HIS 20 2HB HIS 20 2.598 1.523 -16.996 153 HB3 HIS 20 1HB HIS 20 3.700 1.171 -15.659 154 HD1 HIS 20 1HD HIS 20 0.570 0.019 -17.275 155 HD2 HIS 20 2HD HIS 20 2.612 -0.735 -13.703 156 HE1 HIS 20 1HE HIS 20 -0.496 -2.032 -16.248 157 HE2 HIS 20 2HE HIS 20 0.745 -2.509 -14.096 158 H CYS 21 H CYS 21 3.854 2.267 -13.363 159 HA CYS 21 HA CYS 21 2.744 0.488 -11.528 160 HB2 CYS 21 2HB CYS 21 4.499 2.901 -10.988 161 HB3 CYS 21 1HB CYS 21 4.234 1.579 -9.856 162 HG CYS 21 HG CYS 21 6.012 0.345 -11.045 163 H PHE 22 H PHE 22 2.368 4.025 -11.642 164 HA PHE 22 HA PHE 22 0.534 3.908 -9.370 165 HB2 PHE 22 2HB PHE 22 1.970 6.007 -10.775 166 HB3 PHE 22 1HB PHE 22 0.295 6.459 -10.417 167 HD1 PHE 22 1HD PHE 22 -0.416 6.897 -8.192 168 HD2 PHE 22 2HD PHE 22 3.391 5.046 -8.916 169 HE1 PHE 22 1HE PHE 22 0.127 7.077 -5.779 170 HE2 PHE 22 2HE PHE 22 3.941 5.231 -6.511 171 HZ PHE 22 HZ PHE 22 2.313 6.238 -4.945 172 H GLU 23 H GLU 23 0.275 3.974 -12.856 173 HA GLU 23 HA GLU 23 -2.436 4.841 -13.046 174 HB2 GLU 23 2HB GLU 23 -1.000 4.498 -15.033 175 HB3 GLU 23 1HB GLU 23 -0.999 2.765 -14.715 176 HG2 GLU 23 2HG GLU 23 -3.462 2.726 -14.947 177 HG3 GLU 23 1HG GLU 23 -3.440 4.450 -15.326 178 H VAL 24 H VAL 24 -0.957 1.722 -12.353 179 HA VAL 24 HA VAL 24 -3.402 0.220 -12.270 180 HB VAL 24 HB VAL 24 -0.696 -0.235 -10.975 181 HG11 VAL 24 1HG1 VAL 24 -3.165 -1.959 -11.177 182 HG12 VAL 24 2HG1 VAL 24 -2.257 -1.523 -9.731 183 HG13 VAL 24 3HG1 VAL 24 -1.560 -2.637 -10.906 184 HG21 VAL 24 1HG2 VAL 24 -0.772 -2.057 -12.877 185 HG22 VAL 24 2HG2 VAL 24 -0.346 -0.394 -13.281 186 HG23 VAL 24 3HG2 VAL 24 -1.977 -0.986 -13.591 187 H PHE 25 H PHE 25 -1.481 1.954 -9.845 188 HA PHE 25 HA PHE 25 -2.893 1.168 -7.514 189 HB2 PHE 25 2HB PHE 25 -1.411 3.690 -8.244 190 HB3 PHE 25 1HB PHE 25 -2.104 3.440 -6.651 191 HD1 PHE 25 1HD PHE 25 -0.951 0.353 -8.212 192 HD2 PHE 25 2HD PHE 25 0.303 3.773 -5.916 193 HE1 PHE 25 1HE PHE 25 1.056 -0.865 -7.491 194 HE2 PHE 25 2HE PHE 25 2.325 2.542 -5.205 195 HZ PHE 25 HZ PHE 25 2.693 0.211 -5.986 196 H THR 26 H THR 26 -3.500 3.908 -9.711 197 HA THR 26 HA THR 26 -5.916 4.533 -8.149 198 HB THR 26 HB THR 26 -6.078 6.486 -9.714 199 HG1 THR 26 1HG THR 26 -3.993 6.795 -10.862 200 HG21 THR 26 1HG2 THR 26 -5.041 7.133 -7.760 201 HG22 THR 26 2HG2 THR 26 -3.707 7.388 -8.887 202 HG23 THR 26 3HG2 THR 26 -3.769 5.918 -7.916 203 H SER 27 H SER 27 -5.201 2.470 -10.661 204 HA SER 27 HA SER 27 -7.791 2.928 -12.037 205 HB2 SER 27 2HB SER 27 -5.962 2.585 -13.546 206 HB3 SER 27 1HB SER 27 -5.431 1.161 -12.665 207 HG SER 27 HG SER 27 -6.633 0.190 -14.110 208 H ARG 28 H ARG 28 -6.022 0.156 -10.588 209 HA ARG 28 HA ARG 28 -8.342 -0.785 -9.178 210 HB2 ARG 28 2HB ARG 28 -8.991 -2.676 -10.485 211 HB3 ARG 28 1HB ARG 28 -8.992 -1.295 -11.562 212 HG2 ARG 28 2HG ARG 28 -7.106 -3.635 -11.503 213 HG3 ARG 28 1HG ARG 28 -7.938 -2.915 -12.859 214 HD2 ARG 28 2HD ARG 28 -6.457 -0.872 -12.530 215 HD3 ARG 28 1HD ARG 28 -5.484 -1.859 -11.436 216 HE ARG 28 HE ARG 28 -5.455 -2.012 -14.309 217 HH11 ARG 28 1HH1 ARG 28 -4.272 -3.697 -15.239 218 HH12 ARG 28 2HH1 ARG 28 -3.840 -5.070 -14.274 219 HH21 ARG 28 1HH2 ARG 28 -5.362 -3.864 -11.402 220 HH22 ARG 28 2HH2 ARG 28 -4.458 -5.164 -12.103 221 HA PRO 29 HA PRO 29 -4.011 -2.231 -8.111 222 HB2 PRO 29 2HB PRO 29 -4.438 -1.781 -5.369 223 HB3 PRO 29 1HB PRO 29 -3.505 -0.765 -6.478 224 HG2 PRO 29 2HG PRO 29 -6.220 -0.404 -5.431 225 HG3 PRO 29 1HG PRO 29 -5.063 0.793 -6.014 226 HD2 PRO 29 2HD PRO 29 -7.294 0.010 -7.415 227 HD3 PRO 29 1HD PRO 29 -5.837 0.672 -8.182 228 H ALA 30 H ALA 30 -7.146 -2.995 -6.686 229 HA ALA 30 HA ALA 30 -6.120 -5.439 -5.436 230 HB1 ALA 30 1HB ALA 30 -7.876 -4.626 -4.184 231 HB2 ALA 30 2HB ALA 30 -8.740 -5.776 -5.205 232 HB3 ALA 30 3HB ALA 30 -8.761 -4.061 -5.598 233 H ASP 31 H ASP 31 -8.356 -4.721 -8.102 234 HA ASP 31 HA ASP 31 -8.974 -7.363 -8.813 235 HB2 ASP 31 2HB ASP 31 -8.744 -4.921 -10.575 236 HB3 ASP 31 1HB ASP 31 -9.496 -6.435 -11.067 237 H TRP 32 H TRP 32 -5.842 -5.939 -9.107 238 HA TRP 32 HA TRP 32 -5.118 -7.150 -11.578 239 HB2 TRP 32 2HB TRP 32 -2.776 -6.942 -10.967 240 HB3 TRP 32 1HB TRP 32 -3.653 -5.477 -10.572 241 HD1 TRP 32 HD TRP 32 -3.061 -8.714 -8.465 242 HE1 TRP 32 1HE TRP 32 -2.147 -7.991 -6.184 243 HE3 TRP 32 3HE TRP 32 -2.696 -3.713 -9.243 244 HZ2 TRP 32 2HZ TRP 32 -1.325 -5.590 -4.873 245 HZ3 TRP 32 3HZ TRP 32 -1.807 -2.219 -7.475 246 HH2 TRP 32 HH TRP 32 -1.112 -3.152 -5.287 247 H TRP 33 H TRP 33 -5.618 -8.700 -8.469 248 HA TRP 33 HA TRP 33 -4.065 -11.049 -9.237 249 HB2 TRP 33 2HB TRP 33 -5.480 -12.157 -7.359 250 HB3 TRP 33 1HB TRP 33 -4.321 -10.912 -6.907 251 HD1 TRP 33 HD TRP 33 -5.215 -8.923 -5.604 252 HE1 TRP 33 1HE TRP 33 -7.555 -8.049 -4.968 253 HE3 TRP 33 3HE TRP 33 -8.126 -12.089 -8.364 254 HZ2 TRP 33 2HZ TRP 33 -10.295 -8.615 -5.551 255 HZ3 TRP 33 3HZ TRP 33 -10.594 -11.897 -8.300 256 HH2 TRP 33 HH TRP 33 -11.682 -10.169 -6.897 257 HA PRO 34 HA PRO 34 -7.027 -12.896 -11.920 258 HB2 PRO 34 2HB PRO 34 -6.517 -15.564 -11.535 259 HB3 PRO 34 1HB PRO 34 -5.462 -14.484 -12.467 260 HG2 PRO 34 2HG PRO 34 -5.174 -15.470 -9.678 261 HG3 PRO 34 1HG PRO 34 -3.937 -15.209 -10.919 262 HD2 PRO 34 2HD PRO 34 -4.377 -13.457 -8.858 263 HD3 PRO 34 1HD PRO 34 -3.737 -12.959 -10.439 264 HA PRO 35 HA PRO 35 -10.566 -13.906 -9.378 265 HB2 PRO 35 2HB PRO 35 -12.260 -14.839 -11.306 266 HB3 PRO 35 1HB PRO 35 -11.888 -13.118 -11.088 267 HG2 PRO 35 2HG PRO 35 -10.817 -15.048 -13.080 268 HG3 PRO 35 1HG PRO 35 -11.248 -13.341 -13.277 269 HD2 PRO 35 2HD PRO 35 -8.660 -14.214 -12.986 270 HD3 PRO 35 1HD PRO 35 -9.210 -12.597 -12.496 271 H SER 36 H SER 36 -9.129 -16.338 -11.475 272 HA SER 36 HA SER 36 -10.659 -18.596 -10.660 273 HB2 SER 36 2HB SER 36 -8.807 -19.938 -11.463 274 HB3 SER 36 1HB SER 36 -8.982 -18.554 -12.538 275 HG SER 36 HG SER 36 -6.796 -19.168 -11.592 276 H HIS 37 H HIS 37 -8.014 -16.883 -9.112 277 HA HIS 37 HA HIS 37 -8.423 -18.599 -6.704 278 HB2 HIS 37 2HB HIS 37 -5.768 -17.664 -7.838 279 HB3 HIS 37 1HB HIS 37 -5.968 -18.431 -6.263 280 HD1 HIS 37 1HD HIS 37 -6.031 -19.151 -9.942 281 HD2 HIS 37 2HD HIS 37 -6.576 -21.226 -6.364 282 HE1 HIS 37 1HE HIS 37 -6.029 -21.616 -10.534 283 HE2 HIS 37 2HE HIS 37 -6.362 -22.886 -8.364 284 H VAL 38 H VAL 38 -7.884 -17.457 -4.685 285 HA VAL 38 HA VAL 38 -8.034 -14.482 -5.018 286 HB VAL 38 HB VAL 38 -9.174 -14.484 -2.798 287 HG11 VAL 38 1HG1 VAL 38 -10.219 -15.710 -5.273 288 HG12 VAL 38 2HG1 VAL 38 -10.874 -14.387 -4.309 289 HG13 VAL 38 3HG1 VAL 38 -11.167 -16.058 -3.827 290 HG21 VAL 38 1HG2 VAL 38 -10.056 -17.155 -2.644 291 HG22 VAL 38 2HG2 VAL 38 -8.960 -16.338 -1.530 292 HG23 VAL 38 3HG2 VAL 38 -8.313 -17.252 -2.892 293 H LEU 39 H LEU 39 -6.267 -13.429 -4.305 294 HA LEU 39 HA LEU 39 -4.380 -14.872 -2.518 295 HB2 LEU 39 2HB LEU 39 -3.970 -12.299 -4.073 296 HB3 LEU 39 1HB LEU 39 -2.726 -13.226 -3.232 297 HG LEU 39 HG LEU 39 -4.368 -14.162 -5.605 298 HD11 LEU 39 1HD1 LEU 39 -1.386 -13.700 -5.323 299 HD12 LEU 39 2HD1 LEU 39 -2.499 -12.551 -6.067 300 HD13 LEU 39 3HD1 LEU 39 -2.253 -14.138 -6.795 301 HD21 LEU 39 1HD2 LEU 39 -2.536 -15.566 -3.686 302 HD22 LEU 39 2HD2 LEU 39 -2.547 -16.071 -5.376 303 HD23 LEU 39 3HD2 LEU 39 -4.030 -16.142 -4.426 304 H VAL 40 H VAL 40 -6.974 -13.088 -2.017 305 HA VAL 40 HA VAL 40 -5.732 -11.488 0.190 306 HB VAL 40 HB VAL 40 -6.817 -10.096 -1.578 307 HG11 VAL 40 1HG1 VAL 40 -9.227 -10.246 -1.915 308 HG12 VAL 40 2HG1 VAL 40 -9.346 -11.536 -0.720 309 HG13 VAL 40 3HG1 VAL 40 -8.501 -11.818 -2.240 310 HG21 VAL 40 1HG2 VAL 40 -8.179 -8.769 -0.056 311 HG22 VAL 40 2HG2 VAL 40 -6.808 -9.419 0.842 312 HG23 VAL 40 3HG2 VAL 40 -8.401 -10.154 1.012 313 H LYS 41 H LYS 41 -6.531 -11.862 2.251 314 HA LYS 41 HA LYS 41 -8.006 -14.251 2.768 315 HB2 LYS 41 2HB LYS 41 -6.490 -13.135 4.412 316 HB3 LYS 41 1HB LYS 41 -7.701 -11.868 4.602 317 HG2 LYS 41 2HG LYS 41 -9.361 -13.575 5.296 318 HG3 LYS 41 1HG LYS 41 -8.116 -14.817 5.164 319 HD2 LYS 41 2HD LYS 41 -6.752 -13.561 6.845 320 HD3 LYS 41 1HD LYS 41 -8.098 -12.438 7.043 321 HE2 LYS 41 2HE LYS 41 -8.163 -14.180 8.785 322 HE3 LYS 41 1HE LYS 41 -9.560 -14.316 7.716 323 HZ1 LYS 41 1HZ LYS 41 -8.376 -16.446 8.226 324 HZ2 LYS 41 2HZ LYS 41 -7.066 -15.863 7.317 325 HZ3 LYS 41 3HZ LYS 41 -8.574 -16.110 6.575 326 H LYS 42 H LYS 42 -9.005 -10.860 2.540 327 HA LYS 42 HA LYS 42 -11.844 -11.751 2.836 328 HB2 LYS 42 2HB LYS 42 -12.368 -9.456 3.431 329 HB3 LYS 42 1HB LYS 42 -11.013 -9.990 4.425 330 HG2 LYS 42 2HG LYS 42 -9.453 -8.927 2.776 331 HG3 LYS 42 1HG LYS 42 -10.858 -8.283 1.925 332 HD2 LYS 42 2HD LYS 42 -11.564 -7.223 4.124 333 HD3 LYS 42 1HD LYS 42 -9.978 -7.668 4.754 334 HE2 LYS 42 2HE LYS 42 -8.922 -6.409 2.874 335 HE3 LYS 42 1HE LYS 42 -10.528 -5.888 2.362 336 HZ1 LYS 42 1HZ LYS 42 -9.233 -4.329 3.859 337 HZ2 LYS 42 2HZ LYS 42 -9.542 -5.434 5.112 338 HZ3 LYS 42 3HZ LYS 42 -10.831 -4.669 4.314 339 H GLU 43 H GLU 43 -13.235 -11.438 1.119 340 HA GLU 43 HA GLU 43 -12.139 -11.009 -1.489 341 HB2 GLU 43 2HB GLU 43 -15.009 -10.897 -0.547 342 HB3 GLU 43 1HB GLU 43 -14.506 -10.969 -2.233 343 HG2 GLU 43 2HG GLU 43 -13.338 -13.116 -1.763 344 HG3 GLU 43 1HG GLU 43 -13.940 -13.056 -0.106 345 H ARG 44 H ARG 44 -11.627 -9.122 -2.456 346 HA ARG 44 HA ARG 44 -12.461 -6.580 -1.222 347 HB2 ARG 44 2HB ARG 44 -10.700 -7.164 -3.626 348 HB3 ARG 44 1HB ARG 44 -10.958 -5.566 -2.921 349 HG2 ARG 44 2HG ARG 44 -10.112 -6.465 -0.730 350 HG3 ARG 44 1HG ARG 44 -9.706 -7.969 -1.557 351 HD2 ARG 44 2HD ARG 44 -8.294 -6.615 -3.146 352 HD3 ARG 44 1HD ARG 44 -8.578 -5.216 -2.112 353 HE ARG 44 HE ARG 44 -7.614 -7.073 -0.339 354 HH11 ARG 44 1HH1 ARG 44 -5.414 -7.408 0.065 355 HH12 ARG 44 2HH1 ARG 44 -4.254 -7.024 -1.162 356 HH21 ARG 44 1HH2 ARG 44 -6.631 -5.943 -3.444 357 HH22 ARG 44 2HH2 ARG 44 -4.943 -6.195 -3.150 358 H ALA 45 H ALA 45 -13.884 -5.110 -2.206 359 HA ALA 45 HA ALA 45 -15.461 -6.236 -4.479 360 HB1 ALA 45 1HB ALA 45 -16.161 -4.941 -1.982 361 HB2 ALA 45 2HB ALA 45 -17.199 -5.803 -3.119 362 HB3 ALA 45 3HB ALA 45 -16.867 -4.087 -3.353 363 H GLY 46 H GLY 46 -14.236 -3.095 -3.236 364 HA2 GLY 46 2HA GLY 46 -13.666 -2.274 -5.996 365 HA3 GLY 46 1HA GLY 46 -14.967 -1.373 -5.234 366 H LEU 47 H LEU 47 -12.901 0.145 -5.936 367 HA LEU 47 HA LEU 47 -11.668 0.854 -3.339 368 HB2 LEU 47 2HB LEU 47 -9.972 0.694 -5.839 369 HB3 LEU 47 1HB LEU 47 -9.441 0.919 -4.177 370 HG LEU 47 HG LEU 47 -10.515 -1.412 -3.744 371 HD11 LEU 47 1HD1 LEU 47 -9.879 -2.289 -6.433 372 HD12 LEU 47 2HD1 LEU 47 -11.172 -1.100 -6.471 373 HD13 LEU 47 3HD1 LEU 47 -11.349 -2.561 -5.501 374 HD21 LEU 47 1HD2 LEU 47 -8.142 -1.595 -5.567 375 HD22 LEU 47 2HD2 LEU 47 -8.444 -2.426 -4.043 376 HD23 LEU 47 3HD2 LEU 47 -7.986 -0.729 -4.038 377 H ALA 48 H ALA 48 -11.457 3.069 -3.114 378 HA ALA 48 HA ALA 48 -12.258 4.720 -5.469 379 HB1 ALA 48 1HB ALA 48 -13.192 6.229 -4.005 380 HB2 ALA 48 2HB ALA 48 -11.943 5.973 -2.788 381 HB3 ALA 48 3HB ALA 48 -13.263 4.818 -2.951 382 H PHE 49 H PHE 49 -10.704 6.073 -6.380 383 HA PHE 49 HA PHE 49 -8.195 6.512 -4.830 384 HB2 PHE 49 2HB PHE 49 -8.567 4.959 -7.306 385 HB3 PHE 49 1HB PHE 49 -7.250 6.128 -7.346 386 HD1 PHE 49 1HD PHE 49 -5.356 5.949 -5.794 387 HD2 PHE 49 2HD PHE 49 -8.523 3.054 -5.799 388 HE1 PHE 49 1HE PHE 49 -3.927 4.388 -4.501 389 HE2 PHE 49 2HE PHE 49 -7.100 1.491 -4.500 390 HZ PHE 49 HZ PHE 49 -4.800 2.159 -3.854 391 H GLU 50 H GLU 50 -7.717 8.646 -4.881 392 HA GLU 50 HA GLU 50 -8.257 10.121 -7.409 393 HB2 GLU 50 2HB GLU 50 -8.498 11.920 -5.201 394 HB3 GLU 50 1HB GLU 50 -9.699 11.523 -6.420 395 HG2 GLU 50 2HG GLU 50 -10.455 9.606 -5.139 396 HG3 GLU 50 1HG GLU 50 -9.168 9.838 -3.956 397 HA PRO 51 HA PRO 51 -3.972 11.245 -6.637 398 HB2 PRO 51 2HB PRO 51 -3.556 12.951 -8.654 399 HB3 PRO 51 1HB PRO 51 -3.916 11.240 -8.971 400 HG2 PRO 51 2HG PRO 51 -5.731 13.607 -9.103 401 HG3 PRO 51 1HG PRO 51 -5.577 12.244 -10.225 402 HD2 PRO 51 2HD PRO 51 -7.534 12.417 -8.274 403 HD3 PRO 51 1HD PRO 51 -6.946 10.893 -8.981 404 H PHE 52 H PHE 52 -2.812 12.824 -5.485 405 HA PHE 52 HA PHE 52 -2.955 15.564 -5.520 406 HB2 PHE 52 2HB PHE 52 -4.484 15.933 -3.408 407 HB3 PHE 52 1HB PHE 52 -5.198 15.875 -5.011 408 HD1 PHE 52 1HD PHE 52 -3.961 12.685 -3.663 409 HD2 PHE 52 2HD PHE 52 -7.354 15.318 -3.857 410 HE1 PHE 52 1HE PHE 52 -5.432 10.830 -2.982 411 HE2 PHE 52 2HE PHE 52 -8.822 13.452 -3.148 412 HZ PHE 52 HZ PHE 52 -7.851 11.204 -2.718 413 H VAL 53 H VAL 53 -2.381 16.618 -3.319 414 HA VAL 53 HA VAL 53 -0.366 14.895 -2.015 415 HB VAL 53 HB VAL 53 0.751 16.861 -1.955 416 HG11 VAL 53 1HG1 VAL 53 -0.248 18.947 -2.738 417 HG12 VAL 53 2HG1 VAL 53 -1.865 18.265 -2.567 418 HG13 VAL 53 3HG1 VAL 53 -0.755 17.615 -3.777 419 HG21 VAL 53 1HG2 VAL 53 -0.134 16.903 0.383 420 HG22 VAL 53 2HG2 VAL 53 -1.490 17.885 -0.178 421 HG23 VAL 53 3HG2 VAL 53 0.152 18.516 -0.267 422 H GLY 54 H GLY 54 -0.553 14.277 0.223 423 HA2 GLY 54 2HA GLY 54 -1.764 13.817 2.215 424 HA3 GLY 54 1HA GLY 54 -2.654 15.321 1.924 425 H GLY 55 H GLY 55 -2.286 12.824 -0.428 426 HA2 GLY 55 2HA GLY 55 -5.071 12.736 -1.022 427 HA3 GLY 55 1HA GLY 55 -3.827 11.686 -1.691 428 H ARG 56 H ARG 56 -6.079 10.429 -1.405 429 HA ARG 56 HA ARG 56 -5.570 8.637 0.898 430 HB2 ARG 56 2HB ARG 56 -8.229 10.006 0.403 431 HB3 ARG 56 1HB ARG 56 -7.989 8.667 1.526 432 HG2 ARG 56 2HG ARG 56 -6.278 10.042 2.729 433 HG3 ARG 56 1HG ARG 56 -6.667 11.392 1.663 434 HD2 ARG 56 2HD ARG 56 -8.592 9.992 3.540 435 HD3 ARG 56 1HD ARG 56 -7.923 11.609 3.752 436 HE ARG 56 HE ARG 56 -9.291 11.362 1.213 437 HH11 ARG 56 1HH1 ARG 56 -11.265 12.447 1.025 438 HH12 ARG 56 2HH1 ARG 56 -12.087 12.976 2.453 439 HH21 ARG 56 1HH2 ARG 56 -9.672 11.748 4.618 440 HH22 ARG 56 2HH2 ARG 56 -11.186 12.582 4.488 441 H TYR 57 H TYR 57 -6.182 6.529 0.503 442 HA TYR 57 HA TYR 57 -7.513 5.969 -2.113 443 HB2 TYR 57 2HB TYR 57 -5.450 4.238 -0.718 444 HB3 TYR 57 1HB TYR 57 -6.173 3.944 -2.294 445 HD1 TYR 57 1HD TYR 57 -3.184 4.650 -1.091 446 HD2 TYR 57 2HD TYR 57 -6.083 6.617 -3.588 447 HE1 TYR 57 1HE TYR 57 -1.386 5.997 -2.138 448 HE2 TYR 57 2HE TYR 57 -4.293 7.965 -4.612 449 HH TYR 57 HH TYR 57 -2.095 8.278 -4.777 450 H TYR 58 H TYR 58 -8.946 4.083 -2.088 451 HA TYR 58 HA TYR 58 -9.747 3.263 0.678 452 HB2 TYR 58 2HB TYR 58 -11.624 4.083 -1.547 453 HB3 TYR 58 1HB TYR 58 -12.080 3.586 0.082 454 HD1 TYR 58 1HD TYR 58 -12.292 5.181 1.764 455 HD2 TYR 58 2HD TYR 58 -9.939 6.077 -1.713 456 HE1 TYR 58 1HE TYR 58 -11.961 7.487 2.579 457 HE2 TYR 58 2HE TYR 58 -9.601 8.379 -0.905 458 HH TYR 58 HH TYR 58 -9.682 9.455 1.681 459 H GLU 59 H GLU 59 -10.967 1.337 0.806 460 HA GLU 59 HA GLU 59 -10.938 -0.424 -1.603 461 HB2 GLU 59 2HB GLU 59 -10.120 -1.246 1.206 462 HB3 GLU 59 1HB GLU 59 -10.244 -2.320 -0.186 463 HG2 GLU 59 2HG GLU 59 -8.525 -0.958 -1.360 464 HG3 GLU 59 1HG GLU 59 -8.362 0.041 0.083 465 H TRP 60 H TRP 60 -12.699 -1.919 -1.635 466 HA TRP 60 HA TRP 60 -14.837 -1.319 0.384 467 HB2 TRP 60 2HB TRP 60 -14.837 -1.518 -2.544 468 HB3 TRP 60 1HB TRP 60 -16.099 -2.485 -1.780 469 HD1 TRP 60 HD TRP 60 -17.235 -0.875 0.443 470 HE1 TRP 60 1HE TRP 60 -18.267 1.469 0.100 471 HE3 TRP 60 3HE TRP 60 -14.995 0.453 -3.946 472 HZ2 TRP 60 2HZ TRP 60 -18.140 3.629 -1.791 473 HZ3 TRP 60 3HZ TRP 60 -15.454 2.643 -4.994 474 HH2 TRP 60 HH TRP 60 -17.017 4.228 -3.928 475 H ASP 61 H ASP 61 -15.513 -3.047 1.586 476 HA ASP 61 HA ASP 61 -14.774 -5.777 0.573 477 HB2 ASP 61 2HB ASP 61 -14.924 -4.798 3.435 478 HB3 ASP 61 1HB ASP 61 -14.639 -6.471 2.958 479 H ILE 62 H ILE 62 -16.425 -7.294 0.533 480 HA ILE 62 HA ILE 62 -19.107 -6.438 0.481 481 HB ILE 62 HB ILE 62 -19.723 -8.756 0.380 482 HG12 ILE 62 2HG1 ILE 62 -18.466 -9.559 2.350 483 HG13 ILE 62 1HG1 ILE 62 -18.180 -10.576 0.952 484 HG21 ILE 62 1HG2 ILE 62 -17.294 -9.387 -0.925 485 HG22 ILE 62 2HG2 ILE 62 -17.565 -7.658 -1.136 486 HG23 ILE 62 3HG2 ILE 62 -18.796 -8.812 -1.649 487 HD11 ILE 62 1HD1 ILE 62 -16.033 -10.252 1.889 488 HD12 ILE 62 2HD1 ILE 62 -16.323 -8.545 2.192 489 HD13 ILE 62 3HD1 ILE 62 -16.082 -9.118 0.545 490 H ASP 63 H ASP 63 -17.106 -7.327 3.175 491 HA ASP 63 HA ASP 63 -19.487 -7.303 4.973 492 HB2 ASP 63 2HB ASP 63 -16.630 -8.213 5.436 493 HB3 ASP 63 1HB ASP 63 -17.874 -8.176 6.686 494 H GLY 64 H GLY 64 -16.642 -5.585 4.009 495 HA2 GLY 64 2HA GLY 64 -17.046 -3.644 6.233 496 HA3 GLY 64 1HA GLY 64 -15.516 -3.862 5.391 497 H THR 65 H THR 65 -17.798 -1.692 5.717 498 HA THR 65 HA THR 65 -18.718 -0.990 3.132 499 HB THR 65 HB THR 65 -17.953 1.074 5.167 500 HG1 THR 65 1HG THR 65 -19.459 0.395 6.522 501 HG21 THR 65 1HG2 THR 65 -19.577 2.309 4.162 502 HG22 THR 65 2HG2 THR 65 -20.654 0.925 3.989 503 HG23 THR 65 3HG2 THR 65 -19.352 1.180 2.827 504 H GLU 66 H GLU 66 -17.611 1.776 3.227 505 HA GLU 66 HA GLU 66 -15.104 1.228 1.724 506 HB2 GLU 66 2HB GLU 66 -17.127 2.750 0.952 507 HB3 GLU 66 1HB GLU 66 -16.362 3.937 1.993 508 HG2 GLU 66 2HG GLU 66 -14.226 3.559 0.773 509 HG3 GLU 66 1HG GLU 66 -15.098 2.515 -0.346 510 H ILE 67 H ILE 67 -13.117 1.909 2.567 511 HA ILE 67 HA ILE 67 -13.153 3.856 4.806 512 HB ILE 67 HB ILE 67 -11.602 1.310 5.186 513 HG12 ILE 67 2HG1 ILE 67 -14.479 1.795 5.979 514 HG13 ILE 67 1HG1 ILE 67 -13.928 0.625 4.779 515 HG21 ILE 67 1HG2 ILE 67 -11.914 3.712 6.643 516 HG22 ILE 67 2HG2 ILE 67 -11.092 2.243 7.161 517 HG23 ILE 67 3HG2 ILE 67 -12.801 2.474 7.529 518 HD11 ILE 67 1HD1 ILE 67 -13.980 -0.796 6.573 519 HD12 ILE 67 2HD1 ILE 67 -13.780 0.509 7.744 520 HD13 ILE 67 3HD1 ILE 67 -12.381 -0.112 6.866 521 H VAL 68 H VAL 68 -10.851 4.466 5.463 522 HA VAL 68 HA VAL 68 -9.193 4.714 3.016 523 HB VAL 68 HB VAL 68 -8.736 5.970 5.741 524 HG11 VAL 68 1HG1 VAL 68 -6.745 6.131 4.503 525 HG12 VAL 68 2HG1 VAL 68 -7.552 7.659 4.154 526 HG13 VAL 68 3HG1 VAL 68 -7.600 6.347 2.977 527 HG21 VAL 68 1HG2 VAL 68 -10.955 6.482 4.317 528 HG22 VAL 68 2HG2 VAL 68 -9.837 7.554 3.473 529 HG23 VAL 68 3HG2 VAL 68 -10.100 7.741 5.204 530 H TRP 69 H TRP 69 -7.383 3.463 2.779 531 HA TRP 69 HA TRP 69 -6.462 1.928 5.168 532 HB2 TRP 69 2HB TRP 69 -6.634 1.291 2.255 533 HB3 TRP 69 1HB TRP 69 -5.350 0.539 3.205 534 HD1 TRP 69 HD TRP 69 -6.015 -1.216 5.022 535 HE1 TRP 69 1HE TRP 69 -8.220 -2.419 5.574 536 HE3 TRP 69 3HE TRP 69 -9.290 1.575 2.280 537 HZ2 TRP 69 2HZ TRP 69 -10.989 -2.253 4.950 538 HZ3 TRP 69 3HZ TRP 69 -11.703 1.029 2.292 539 HH2 TRP 69 HH TRP 69 -12.561 -0.877 3.613 540 H GLY 70 H GLY 70 -5.605 4.632 3.519 541 HA2 GLY 70 2HA GLY 70 -2.928 4.631 4.553 542 HA3 GLY 70 1HA GLY 70 -2.892 4.284 2.826 543 H ARG 71 H ARG 71 -1.634 6.510 3.321 544 HA ARG 71 HA ARG 71 -3.496 8.630 2.401 545 HB2 ARG 71 2HB ARG 71 -2.644 8.594 5.035 546 HB3 ARG 71 1HB ARG 71 -1.459 9.643 4.258 547 HG2 ARG 71 2HG ARG 71 -3.374 10.899 3.208 548 HG3 ARG 71 1HG ARG 71 -4.464 9.964 4.231 549 HD2 ARG 71 2HD ARG 71 -4.015 12.033 5.379 550 HD3 ARG 71 1HD ARG 71 -3.124 10.769 6.226 551 HE ARG 71 HE ARG 71 -1.237 11.664 4.489 552 HH11 ARG 71 1HH1 ARG 71 0.089 13.466 4.809 553 HH12 ARG 71 2HH1 ARG 71 -0.465 14.766 5.809 554 HH21 ARG 71 1HH2 ARG 71 -3.509 13.269 6.529 555 HH22 ARG 71 2HH2 ARG 71 -2.502 14.655 6.782 556 H ILE 72 H ILE 72 -1.910 10.655 1.923 557 HA ILE 72 HA ILE 72 0.584 9.611 0.683 558 HB ILE 72 HB ILE 72 -1.564 11.268 -0.654 559 HG12 ILE 72 2HG1 ILE 72 -1.052 9.440 -2.445 560 HG13 ILE 72 1HG1 ILE 72 -0.293 8.569 -1.115 561 HG21 ILE 72 1HG2 ILE 72 0.488 12.376 -1.201 562 HG22 ILE 72 2HG2 ILE 72 0.088 11.352 -2.580 563 HG23 ILE 72 3HG2 ILE 72 1.326 10.841 -1.433 564 HD11 ILE 72 1HD1 ILE 72 -2.341 7.806 -0.569 565 HD12 ILE 72 2HD1 ILE 72 -3.116 8.893 -1.719 566 HD13 ILE 72 3HD1 ILE 72 -2.753 9.445 -0.089 567 H LEU 73 H LEU 73 2.101 11.501 0.135 568 HA LEU 73 HA LEU 73 1.687 13.731 2.085 569 HB2 LEU 73 2HB LEU 73 4.201 12.325 1.188 570 HB3 LEU 73 1HB LEU 73 4.223 13.833 2.095 571 HG LEU 73 HG LEU 73 2.673 11.422 3.055 572 HD11 LEU 73 1HD1 LEU 73 5.144 10.935 2.697 573 HD12 LEU 73 2HD1 LEU 73 4.541 10.693 4.334 574 HD13 LEU 73 3HD1 LEU 73 5.468 12.142 3.941 575 HD21 LEU 73 1HD2 LEU 73 3.633 12.868 5.221 576 HD22 LEU 73 2HD2 LEU 73 2.007 12.987 4.551 577 HD23 LEU 73 3HD2 LEU 73 3.250 14.127 4.049 578 H GLU 74 H GLU 74 3.208 12.868 -1.004 579 HA GLU 74 HA GLU 74 2.254 15.202 -2.369 580 HB2 GLU 74 2HB GLU 74 3.988 16.262 -0.891 581 HB3 GLU 74 1HB GLU 74 5.205 15.240 -1.662 582 HG2 GLU 74 2HG GLU 74 4.570 16.206 -3.870 583 HG3 GLU 74 1HG GLU 74 3.443 17.284 -3.047 584 H TRP 75 H TRP 75 2.912 15.143 -4.631 585 HA TRP 75 HA TRP 75 4.172 12.543 -5.391 586 HB2 TRP 75 2HB TRP 75 2.826 12.653 -7.438 587 HB3 TRP 75 1HB TRP 75 1.782 12.771 -6.020 588 HD1 TRP 75 HD TRP 75 1.144 15.376 -5.271 589 HE1 TRP 75 1HE TRP 75 0.582 17.381 -6.791 590 HE3 TRP 75 3HE TRP 75 3.171 13.747 -9.666 591 HZ2 TRP 75 2HZ TRP 75 0.943 18.186 -9.511 592 HZ3 TRP 75 3HZ TRP 75 3.046 15.151 -11.704 593 HH2 TRP 75 HH TRP 75 1.936 17.367 -11.632 594 H ASP 76 H ASP 76 6.026 12.646 -6.590 595 HA ASP 76 HA ASP 76 6.917 15.324 -7.499 596 HB2 ASP 76 2HB ASP 76 8.267 13.264 -6.229 597 HB3 ASP 76 1HB ASP 76 8.781 13.112 -7.911 598 HA PRO 77 HA PRO 77 5.463 14.259 -11.608 599 HB2 PRO 77 2HB PRO 77 7.535 15.985 -12.734 600 HB3 PRO 77 1HB PRO 77 5.778 16.144 -12.793 601 HG2 PRO 77 2HG PRO 77 7.542 17.636 -11.222 602 HG3 PRO 77 1HG PRO 77 5.779 17.611 -11.119 603 HD2 PRO 77 2HD PRO 77 7.693 16.556 -9.234 604 HD3 PRO 77 1HD PRO 77 5.925 16.607 -9.097 605 HA PRO 78 HA PRO 78 9.871 12.899 -13.358 606 HB2 PRO 78 2HB PRO 78 11.098 12.365 -10.681 607 HB3 PRO 78 1HB PRO 78 11.861 12.922 -12.181 608 HG2 PRO 78 2HG PRO 78 11.398 14.589 -10.162 609 HG3 PRO 78 1HG PRO 78 11.238 15.105 -11.849 610 HD2 PRO 78 2HD PRO 78 9.105 14.519 -9.849 611 HD3 PRO 78 1HD PRO 78 9.101 15.678 -11.191 612 H HIS 79 H HIS 79 9.836 11.276 -10.189 613 HA HIS 79 HA HIS 79 7.944 9.265 -10.843 614 HB2 HIS 79 2HB HIS 79 9.653 7.405 -11.151 615 HB3 HIS 79 1HB HIS 79 9.508 8.516 -12.509 616 HD1 HIS 79 1HD HIS 79 11.463 8.915 -9.252 617 HD2 HIS 79 2HD HIS 79 12.107 8.914 -13.375 618 HE1 HIS 79 1HE HIS 79 13.903 9.508 -9.599 619 HE2 HIS 79 2HE HIS 79 14.305 9.505 -12.104 620 H ARG 80 H ARG 80 8.492 10.894 -8.637 621 HA ARG 80 HA ARG 80 9.333 8.847 -6.626 622 HB2 ARG 80 2HB ARG 80 11.182 10.444 -6.880 623 HB3 ARG 80 1HB ARG 80 10.072 11.789 -6.604 624 HG2 ARG 80 2HG ARG 80 9.571 10.923 -4.347 625 HG3 ARG 80 1HG ARG 80 10.672 9.577 -4.624 626 HD2 ARG 80 2HD ARG 80 12.526 11.175 -4.945 627 HD3 ARG 80 1HD ARG 80 11.418 12.500 -4.601 628 HE ARG 80 HE ARG 80 12.566 10.665 -2.631 629 HH11 ARG 80 1HH1 ARG 80 12.034 11.125 -0.482 630 HH12 ARG 80 2HH1 ARG 80 10.748 12.233 -0.139 631 HH21 ARG 80 1HH2 ARG 80 10.035 12.850 -3.477 632 HH22 ARG 80 2HH2 ARG 80 9.617 13.209 -1.835 633 H LEU 81 H LEU 81 8.048 8.774 -4.802 634 HA LEU 81 HA LEU 81 6.034 10.927 -4.444 635 HB2 LEU 81 2HB LEU 81 5.389 7.978 -4.596 636 HB3 LEU 81 1HB LEU 81 4.253 9.232 -4.113 637 HG LEU 81 HG LEU 81 5.185 10.230 -6.482 638 HD11 LEU 81 1HD1 LEU 81 6.474 8.212 -6.952 639 HD12 LEU 81 2HD1 LEU 81 5.125 8.336 -8.082 640 HD13 LEU 81 3HD1 LEU 81 5.035 7.221 -6.718 641 HD21 LEU 81 1HD2 LEU 81 2.811 8.565 -5.717 642 HD22 LEU 81 2HD2 LEU 81 3.029 9.029 -7.404 643 HD23 LEU 81 3HD2 LEU 81 2.878 10.270 -6.159 644 H ALA 82 H ALA 82 5.709 11.415 -2.328 645 HA ALA 82 HA ALA 82 6.886 9.578 -0.275 646 HB1 ALA 82 1HB ALA 82 6.732 11.644 1.211 647 HB2 ALA 82 2HB ALA 82 6.301 12.561 -0.231 648 HB3 ALA 82 3HB ALA 82 7.881 11.787 -0.119 649 H MET 83 H MET 83 5.375 8.934 1.486 650 HA MET 83 HA MET 83 2.668 10.066 1.225 651 HB2 MET 83 2HB MET 83 1.820 7.573 1.177 652 HB3 MET 83 1HB MET 83 2.259 8.403 -0.316 653 HG2 MET 83 2HG MET 83 4.512 7.418 -0.220 654 HG3 MET 83 1HG MET 83 4.108 6.622 1.299 655 HE1 MET 83 1HE MET 83 3.258 7.404 -2.107 656 HE2 MET 83 2HE MET 83 1.764 6.517 -2.391 657 HE3 MET 83 3HE MET 83 3.299 5.836 -2.924 658 H THR 84 H THR 84 1.238 9.633 2.908 659 HA THR 84 HA THR 84 2.495 8.450 5.354 660 HB THR 84 HB THR 84 0.415 10.650 5.103 661 HG1 THR 84 1HG THR 84 2.225 11.601 6.475 662 HG21 THR 84 1HG2 THR 84 1.323 8.963 7.406 663 HG22 THR 84 2HG2 THR 84 -0.292 9.559 7.025 664 HG23 THR 84 3HG2 THR 84 0.915 10.654 7.698 665 H TRP 85 H TRP 85 0.902 7.208 6.716 666 HA TRP 85 HA TRP 85 -1.196 6.019 4.956 667 HB2 TRP 85 2HB TRP 85 0.498 4.963 7.179 668 HB3 TRP 85 1HB TRP 85 -1.098 4.250 6.936 669 HD1 TRP 85 HD TRP 85 1.015 5.567 4.036 670 HE1 TRP 85 1HE TRP 85 1.645 3.591 2.507 671 HE3 TRP 85 3HE TRP 85 -0.736 1.685 6.851 672 HZ2 TRP 85 2HZ TRP 85 1.434 0.738 2.481 673 HZ3 TRP 85 3HZ TRP 85 -0.509 -0.650 6.051 674 HH2 TRP 85 HH TRP 85 0.573 -1.128 3.873 675 H ARG 86 H ARG 86 -3.343 6.296 5.467 676 HA ARG 86 HA ARG 86 -3.941 7.416 8.185 677 HB2 ARG 86 2HB ARG 86 -4.488 8.952 6.307 678 HB3 ARG 86 1HB ARG 86 -5.553 7.721 5.632 679 HG2 ARG 86 2HG ARG 86 -6.880 7.747 7.734 680 HG3 ARG 86 1HG ARG 86 -5.840 9.029 8.353 681 HD2 ARG 86 2HD ARG 86 -7.445 9.239 5.791 682 HD3 ARG 86 1HD ARG 86 -7.979 9.875 7.346 683 HE ARG 86 HE ARG 86 -5.335 10.826 6.517 684 HH11 ARG 86 1HH1 ARG 86 -5.220 13.056 6.130 685 HH12 ARG 86 2HH1 ARG 86 -6.682 13.967 5.961 686 HH21 ARG 86 1HH2 ARG 86 -8.758 11.231 6.433 687 HH22 ARG 86 2HH2 ARG 86 -8.684 12.936 6.133 688 H ILE 87 H ILE 87 -4.390 5.524 9.310 689 HA ILE 87 HA ILE 87 -6.884 4.135 8.528 690 HB ILE 87 HB ILE 87 -4.865 2.864 7.578 691 HG12 ILE 87 2HG1 ILE 87 -6.499 1.347 9.631 692 HG13 ILE 87 1HG1 ILE 87 -7.184 1.924 8.111 693 HG21 ILE 87 1HG2 ILE 87 -3.325 1.894 8.994 694 HG22 ILE 87 2HG2 ILE 87 -4.466 1.792 10.336 695 HG23 ILE 87 3HG2 ILE 87 -3.701 3.332 9.942 696 HD11 ILE 87 1HD1 ILE 87 -6.186 -0.507 8.250 697 HD12 ILE 87 2HD1 ILE 87 -4.643 0.326 8.062 698 HD13 ILE 87 3HD1 ILE 87 -5.884 0.481 6.822 699 H ASP 88 H ASP 88 -7.872 3.040 10.355 700 HA ASP 88 HA ASP 88 -6.813 4.022 12.964 701 HB2 ASP 88 2HB ASP 88 -9.068 4.802 12.439 702 HB3 ASP 88 1HB ASP 88 -9.604 3.138 12.236 703 H GLY 89 H GLY 89 -7.477 2.517 14.829 704 HA2 GLY 89 2HA GLY 89 -6.087 0.059 14.558 705 HA3 GLY 89 1HA GLY 89 -7.170 0.450 15.894 706 H HIS 90 H HIS 90 -9.570 0.748 14.282 707 HA HIS 90 HA HIS 90 -10.007 -2.137 13.654 708 HB2 HIS 90 2HB HIS 90 -11.441 -0.363 15.280 709 HB3 HIS 90 1HB HIS 90 -12.434 -0.552 13.836 710 HD1 HIS 90 1HD HIS 90 -12.443 -1.963 16.941 711 HD2 HIS 90 2HD HIS 90 -11.992 -3.700 13.174 712 HE1 HIS 90 1HE HIS 90 -13.072 -4.406 17.197 713 HE2 HIS 90 2HE HIS 90 -12.801 -5.472 14.911 714 H TRP 91 H TRP 91 -8.789 -0.495 11.673 715 HA TRP 91 HA TRP 91 -9.030 0.073 9.411 716 HB2 TRP 91 2HB TRP 91 -11.258 -1.935 9.785 717 HB3 TRP 91 1HB TRP 91 -10.900 -1.207 8.222 718 HD1 TRP 91 HD TRP 91 -8.330 -1.555 7.317 719 HE1 TRP 91 1HE TRP 91 -6.795 -3.607 7.573 720 HE3 TRP 91 3HE TRP 91 -10.597 -3.875 11.246 721 HZ2 TRP 91 2HZ TRP 91 -6.576 -5.929 9.228 722 HZ3 TRP 91 3HZ TRP 91 -9.718 -6.005 12.143 723 HH2 TRP 91 HH TRP 91 -7.702 -7.038 11.138 724 H GLN 92 H GLN 92 -10.256 1.860 11.315 725 HA GLN 92 HA GLN 92 -12.656 2.773 9.779 726 HB2 GLN 92 2HB GLN 92 -11.831 3.431 12.623 727 HB3 GLN 92 1HB GLN 92 -13.268 4.046 11.807 728 HG2 GLN 92 2HG GLN 92 -14.094 1.733 11.517 729 HG3 GLN 92 1HG GLN 92 -12.660 1.130 12.344 730 HE21 GLN 92 1HE2 GLN 92 -15.236 0.605 13.422 731 HE22 GLN 92 2HE2 GLN 92 -15.413 1.478 14.867 732 H SER 93 H SER 93 -12.782 5.047 9.279 733 HA SER 93 HA SER 93 -10.098 6.276 8.974 734 HB2 SER 93 2HB SER 93 -11.541 6.100 6.969 735 HB3 SER 93 1HB SER 93 -12.771 7.072 7.777 736 HG SER 93 HG SER 93 -11.605 8.809 7.455 737 H VAL 94 H VAL 94 -9.579 8.242 9.896 738 HA VAL 94 HA VAL 94 -11.662 9.575 11.571 739 HB VAL 94 HB VAL 94 -9.434 10.017 13.046 740 HG11 VAL 94 1HG1 VAL 94 -11.494 9.178 13.985 741 HG12 VAL 94 2HG1 VAL 94 -10.211 8.061 14.450 742 HG13 VAL 94 3HG1 VAL 94 -11.314 7.642 13.139 743 HG21 VAL 94 1HG2 VAL 94 -7.921 8.237 13.019 744 HG22 VAL 94 2HG2 VAL 94 -8.303 8.388 11.304 745 HG23 VAL 94 3HG2 VAL 94 -9.078 7.135 12.274 746 HA PRO 95 HA PRO 95 -10.460 13.390 9.745 747 HB2 PRO 95 2HB PRO 95 -9.919 14.885 12.091 748 HB3 PRO 95 1HB PRO 95 -11.465 14.784 11.232 749 HG2 PRO 95 2HG PRO 95 -10.567 13.382 13.668 750 HG3 PRO 95 1HG PRO 95 -12.199 13.849 13.163 751 HD2 PRO 95 2HD PRO 95 -11.340 11.272 13.076 752 HD3 PRO 95 1HD PRO 95 -12.510 11.921 11.906 753 H ASP 96 H ASP 96 -8.396 12.123 12.303 754 HA ASP 96 HA ASP 96 -6.015 12.637 10.702 755 HB2 ASP 96 2HB ASP 96 -6.591 14.811 12.049 756 HB3 ASP 96 1HB ASP 96 -5.993 13.885 13.426 757 H ASP 97 H ASP 97 -4.261 11.350 11.458 758 HA ASP 97 HA ASP 97 -5.042 9.399 13.567 759 HB2 ASP 97 2HB ASP 97 -3.086 9.236 11.268 760 HB3 ASP 97 1HB ASP 97 -3.194 8.018 12.537 761 H ASP 98 H ASP 98 -4.114 9.752 15.511 762 HA ASP 98 HA ASP 98 -1.803 11.471 15.844 763 HB2 ASP 98 2HB ASP 98 -3.227 9.596 17.743 764 HB3 ASP 98 1HB ASP 98 -1.939 10.698 18.223 765 H ARG 99 H ARG 99 -2.383 8.071 15.450 766 HA ARG 99 HA ARG 99 0.434 7.409 16.088 767 HB2 ARG 99 2HB ARG 99 -0.463 5.028 15.745 768 HB3 ARG 99 1HB ARG 99 -1.081 5.903 17.146 769 HG2 ARG 99 2HG ARG 99 -3.100 6.518 15.910 770 HG3 ARG 99 1HG ARG 99 -2.474 5.740 14.456 771 HD2 ARG 99 2HD ARG 99 -3.975 4.167 15.451 772 HD3 ARG 99 1HD ARG 99 -2.352 3.590 15.821 773 HE ARG 99 HE ARG 99 -3.076 5.213 17.986 774 HH11 ARG 99 1HH1 ARG 99 -3.997 4.313 19.846 775 HH12 ARG 99 2HH1 ARG 99 -4.810 2.788 19.742 776 HH21 ARG 99 1HH2 ARG 99 -4.238 2.412 16.344 777 HH22 ARG 99 2HH2 ARG 99 -4.948 1.712 17.761 778 H ALA 100 H ALA 100 -0.215 8.910 13.678 779 HA ALA 100 HA ALA 100 -0.067 6.966 11.474 780 HB1 ALA 100 1HB ALA 100 -0.891 9.672 11.749 781 HB2 ALA 100 2HB ALA 100 -0.960 8.666 10.304 782 HB3 ALA 100 3HB ALA 100 0.464 9.656 10.622 783 H SER 101 H SER 101 1.753 6.651 10.165 784 HA SER 101 HA SER 101 4.319 7.764 11.231 785 HB2 SER 101 2HB SER 101 3.804 5.132 9.816 786 HB3 SER 101 1HB SER 101 5.382 5.710 10.343 787 HG SER 101 HG SER 101 4.346 5.860 12.489 788 H GLU 102 H GLU 102 6.063 7.882 9.471 789 HA GLU 102 HA GLU 102 4.805 8.917 6.967 790 HB2 GLU 102 2HB GLU 102 7.522 9.523 8.169 791 HB3 GLU 102 1HB GLU 102 6.859 10.253 6.706 792 HG2 GLU 102 2HG GLU 102 5.603 10.445 9.461 793 HG3 GLU 102 1HG GLU 102 6.557 11.715 8.696 794 H ILE 103 H ILE 103 5.455 8.112 4.988 795 HA ILE 103 HA ILE 103 7.556 5.980 5.026 796 HB ILE 103 HB ILE 103 5.020 6.043 3.362 797 HG12 ILE 103 2HG1 ILE 103 5.790 4.190 5.637 798 HG13 ILE 103 1HG1 ILE 103 4.702 5.568 5.816 799 HG21 ILE 103 1HG2 ILE 103 6.204 3.480 3.435 800 HG22 ILE 103 2HG2 ILE 103 7.520 4.611 3.119 801 HG23 ILE 103 3HG2 ILE 103 6.115 4.574 2.053 802 HD11 ILE 103 1HD1 ILE 103 3.261 3.721 5.437 803 HD12 ILE 103 2HD1 ILE 103 4.298 3.071 4.168 804 HD13 ILE 103 3HD1 ILE 103 3.361 4.536 3.876 805 H GLU 104 H GLU 104 9.076 6.122 3.403 806 HA GLU 104 HA GLU 104 8.680 8.302 1.383 807 HB2 GLU 104 2HB GLU 104 11.265 7.312 2.627 808 HB3 GLU 104 1HB GLU 104 11.138 8.568 1.396 809 HG2 GLU 104 2HG GLU 104 9.722 9.906 2.942 810 HG3 GLU 104 1HG GLU 104 9.945 8.671 4.182 811 H VAL 105 H VAL 105 8.488 7.495 -0.650 812 HA VAL 105 HA VAL 105 10.037 5.053 -1.327 813 HB VAL 105 HB VAL 105 7.731 4.353 -0.871 814 HG11 VAL 105 1HG1 VAL 105 7.062 6.459 -2.932 815 HG12 VAL 105 2HG1 VAL 105 6.516 6.388 -1.261 816 HG13 VAL 105 3HG1 VAL 105 5.933 5.206 -2.430 817 HG21 VAL 105 1HG2 VAL 105 7.368 3.148 -2.902 818 HG22 VAL 105 2HG2 VAL 105 9.112 3.381 -2.785 819 HG23 VAL 105 3HG2 VAL 105 8.157 4.397 -3.865 820 H ASP 106 H ASP 106 10.879 5.026 -3.423 821 HA ASP 106 HA ASP 106 10.254 7.414 -5.115 822 HB2 ASP 106 2HB ASP 106 12.960 6.105 -4.709 823 HB3 ASP 106 1HB ASP 106 12.626 7.473 -5.775 824 H PHE 107 H PHE 107 10.083 7.014 -7.348 825 HA PHE 107 HA PHE 107 10.308 4.144 -8.154 826 HB2 PHE 107 2HB PHE 107 8.409 6.293 -9.140 827 HB3 PHE 107 1HB PHE 107 8.534 4.674 -9.811 828 HD1 PHE 107 1HD PHE 107 7.307 2.903 -8.892 829 HD2 PHE 107 2HD PHE 107 7.923 6.478 -6.602 830 HE1 PHE 107 1HE PHE 107 5.747 2.058 -7.158 831 HE2 PHE 107 2HE PHE 107 6.359 5.638 -4.877 832 HZ PHE 107 HZ PHE 107 5.275 3.428 -5.147 833 H VAL 108 H VAL 108 11.409 3.704 -10.071 834 HA VAL 108 HA VAL 108 12.527 6.045 -11.547 835 HB VAL 108 HB VAL 108 14.052 3.489 -11.173 836 HG11 VAL 108 1HG1 VAL 108 14.840 6.357 -11.749 837 HG12 VAL 108 2HG1 VAL 108 14.793 5.041 -12.923 838 HG13 VAL 108 3HG1 VAL 108 15.963 5.006 -11.602 839 HG21 VAL 108 1HG2 VAL 108 13.608 4.222 -8.918 840 HG22 VAL 108 2HG2 VAL 108 13.942 5.901 -9.345 841 HG23 VAL 108 3HG2 VAL 108 15.253 4.721 -9.313 842 HA PRO 109 HA PRO 109 10.602 3.580 -14.834 843 HB2 PRO 109 2HB PRO 109 11.054 5.314 -16.891 844 HB3 PRO 109 1HB PRO 109 9.752 5.541 -15.711 845 HG2 PRO 109 2HG PRO 109 12.386 6.876 -15.909 846 HG3 PRO 109 1HG PRO 109 10.826 7.522 -15.381 847 HD2 PRO 109 2HD PRO 109 12.864 6.775 -13.662 848 HD3 PRO 109 1HD PRO 109 11.148 6.863 -13.203 849 H ASN 110 H ASN 110 11.428 2.072 -16.222 850 HA ASN 110 HA ASN 110 14.258 2.400 -17.095 851 HB2 ASN 110 2HB ASN 110 13.716 0.467 -15.496 852 HB3 ASN 110 1HB ASN 110 12.816 -0.229 -16.842 853 HD21 ASN 110 1HD2 ASN 110 14.858 -1.820 -16.145 854 HD22 ASN 110 2HD2 ASN 110 16.195 -1.650 -17.176 855 H GLY 111 H GLY 111 14.414 2.735 -19.243 856 HA2 GLY 111 2HA GLY 111 12.232 2.826 -21.015 857 HA3 GLY 111 1HA GLY 111 13.909 2.663 -21.541 858 H SER 112 H SER 112 14.186 0.075 -20.063 859 HA SER 112 HA SER 112 13.271 -1.646 -22.219 860 HB2 SER 112 2HB SER 112 14.430 -3.387 -21.093 861 HB3 SER 112 1HB SER 112 15.378 -1.939 -20.768 862 HG SER 112 HG SER 112 14.378 -3.564 -19.012 863 H GLY 113 H GLY 113 11.439 -0.187 -20.055 864 HA2 GLY 113 2HA GLY 113 9.213 -0.675 -19.394 865 HA3 GLY 113 1HA GLY 113 9.409 -2.300 -20.070 866 H GLY 114 H GLY 114 11.088 -0.450 -17.525 867 HA2 GLY 114 2HA GLY 114 10.392 -2.559 -15.588 868 HA3 GLY 114 1HA GLY 114 12.094 -2.211 -15.843 869 H THR 115 H THR 115 10.082 -1.784 -13.549 870 HA THR 115 HA THR 115 10.782 1.095 -13.092 871 HB THR 115 HB THR 115 8.337 -0.459 -12.209 872 HG1 THR 115 1HG THR 115 8.642 1.967 -13.637 873 HG21 THR 115 1HG2 THR 115 8.426 0.796 -10.337 874 HG22 THR 115 2HG2 THR 115 7.992 2.145 -11.378 875 HG23 THR 115 3HG2 THR 115 9.684 1.844 -10.990 876 H ARG 116 H ARG 116 12.131 1.400 -11.412 877 HA ARG 116 HA ARG 116 12.506 -0.853 -9.496 878 HB2 ARG 116 2HB ARG 116 14.530 -0.016 -10.717 879 HB3 ARG 116 1HB ARG 116 14.276 1.567 -9.978 880 HG2 ARG 116 2HG ARG 116 14.455 0.527 -7.731 881 HG3 ARG 116 1HG ARG 116 14.782 -1.028 -8.494 882 HD2 ARG 116 2HD ARG 116 16.457 1.476 -8.843 883 HD3 ARG 116 1HD ARG 116 16.878 0.104 -7.819 884 HE ARG 116 HE ARG 116 16.541 -1.114 -10.229 885 HH11 ARG 116 1HH1 ARG 116 18.108 -1.252 -11.851 886 HH12 ARG 116 2HH1 ARG 116 19.337 -0.036 -11.956 887 HH21 ARG 116 1HH2 ARG 116 18.158 1.765 -9.237 888 HH22 ARG 116 2HH2 ARG 116 19.365 1.672 -10.476 889 H VAL 117 H VAL 117 11.558 -0.582 -7.533 890 HA VAL 117 HA VAL 117 11.056 2.221 -6.626 891 HB VAL 117 HB VAL 117 9.340 -0.167 -5.987 892 HG11 VAL 117 1HG1 VAL 117 7.791 1.459 -5.142 893 HG12 VAL 117 2HG1 VAL 117 8.750 2.789 -5.792 894 HG13 VAL 117 3HG1 VAL 117 9.369 1.831 -4.443 895 HG21 VAL 117 1HG2 VAL 117 9.037 0.084 -8.298 896 HG22 VAL 117 2HG2 VAL 117 9.211 1.838 -8.224 897 HG23 VAL 117 3HG2 VAL 117 7.747 1.068 -7.612 898 H GLU 118 H GLU 118 11.572 2.721 -4.571 899 HA GLU 118 HA GLU 118 12.631 0.513 -2.845 900 HB2 GLU 118 2HB GLU 118 13.522 3.422 -2.939 901 HB3 GLU 118 1HB GLU 118 14.181 2.178 -1.876 902 HG2 GLU 118 2HG GLU 118 14.918 0.891 -3.856 903 HG3 GLU 118 1HG GLU 118 14.294 2.161 -4.907 904 H LEU 119 H LEU 119 10.867 0.193 -1.490 905 HA LEU 119 HA LEU 119 9.551 2.624 -0.380 906 HB2 LEU 119 2HB LEU 119 8.199 0.794 -1.552 907 HB3 LEU 119 1HB LEU 119 8.574 -0.223 -0.171 908 HG LEU 119 HG LEU 119 7.457 2.488 0.399 909 HD11 LEU 119 1HD1 LEU 119 5.139 1.407 0.187 910 HD12 LEU 119 2HD1 LEU 119 5.925 0.187 -0.816 911 HD13 LEU 119 3HD1 LEU 119 5.931 1.878 -1.316 912 HD21 LEU 119 1HD2 LEU 119 8.030 1.050 2.270 913 HD22 LEU 119 2HD2 LEU 119 7.128 -0.293 1.570 914 HD23 LEU 119 3HD2 LEU 119 6.274 1.129 2.162 915 H ALA 120 H ALA 120 9.895 3.145 1.720 916 HA ALA 120 HA ALA 120 10.885 1.001 3.550 917 HB1 ALA 120 1HB ALA 120 12.736 2.185 4.155 918 HB2 ALA 120 2HB ALA 120 11.895 3.732 4.057 919 HB3 ALA 120 3HB ALA 120 12.519 2.973 2.592 920 H HIS 121 H HIS 121 9.630 0.875 5.334 921 HA HIS 121 HA HIS 121 7.924 3.232 6.033 922 HB2 HIS 121 2HB HIS 121 6.235 1.785 6.629 923 HB3 HIS 121 1HB HIS 121 7.046 0.740 5.465 924 HD1 HIS 121 1HD HIS 121 5.773 0.618 8.769 925 HD2 HIS 121 2HD HIS 121 9.267 -0.800 6.990 926 HE1 HIS 121 1HE HIS 121 6.686 -1.174 10.314 927 HE2 HIS 121 2HE HIS 121 8.807 -2.050 9.232 928 H VAL 122 H VAL 122 8.252 4.149 8.062 929 HA VAL 122 HA VAL 122 9.972 2.621 9.961 930 HB VAL 122 HB VAL 122 11.225 4.709 10.429 931 HG11 VAL 122 1HG1 VAL 122 11.533 2.952 8.333 932 HG12 VAL 122 2HG1 VAL 122 12.711 4.178 8.803 933 HG13 VAL 122 3HG1 VAL 122 11.554 4.514 7.513 934 HG21 VAL 122 1HG2 VAL 122 9.649 5.757 8.050 935 HG22 VAL 122 2HG2 VAL 122 10.963 6.608 8.864 936 HG23 VAL 122 3HG2 VAL 122 9.453 6.291 9.719 937 H LYS 123 H LYS 123 9.797 3.210 12.150 938 HA LYS 123 HA LYS 123 8.609 3.747 14.081 939 HB2 LYS 123 2HB LYS 123 8.110 6.156 12.331 940 HB3 LYS 123 1HB LYS 123 7.496 6.058 13.981 941 HG2 LYS 123 2HG LYS 123 9.622 7.169 14.106 942 HG3 LYS 123 1HG LYS 123 9.872 5.533 14.715 943 HD2 LYS 123 2HD LYS 123 10.891 4.820 12.683 944 HD3 LYS 123 1HD LYS 123 10.344 6.259 11.822 945 HE2 LYS 123 2HE LYS 123 12.830 5.931 12.988 946 HE3 LYS 123 1HE LYS 123 12.111 7.477 12.536 947 HZ1 LYS 123 1HZ LYS 123 11.454 6.249 15.130 948 HZ2 LYS 123 2HZ LYS 123 11.419 7.887 14.678 949 HZ3 LYS 123 3HZ LYS 123 12.904 7.109 14.950 950 H LEU 124 H LEU 124 7.262 2.134 12.020 951 HA LEU 124 HA LEU 124 4.484 2.951 11.921 952 HB2 LEU 124 2HB LEU 124 5.867 1.205 10.482 953 HB3 LEU 124 1HB LEU 124 5.291 0.086 11.715 954 HG LEU 124 HG LEU 124 2.980 1.302 11.257 955 HD11 LEU 124 1HD1 LEU 124 2.710 2.184 9.093 956 HD12 LEU 124 2HD1 LEU 124 4.199 1.443 8.506 957 HD13 LEU 124 3HD1 LEU 124 4.273 2.830 9.593 958 HD21 LEU 124 1HD2 LEU 124 4.265 -0.795 9.492 959 HD22 LEU 124 2HD2 LEU 124 2.537 -0.440 9.492 960 HD23 LEU 124 3HD2 LEU 124 3.309 -1.073 10.945 961 H HIS 125 H HIS 125 6.466 0.866 13.961 962 HA HIS 125 HA HIS 125 4.590 -0.405 15.572 963 HB2 HIS 125 2HB HIS 125 7.030 -0.674 15.845 964 HB3 HIS 125 1HB HIS 125 7.120 0.952 16.517 965 HD1 HIS 125 1HD HIS 125 5.050 -2.189 17.219 966 HD2 HIS 125 2HD HIS 125 7.001 0.877 19.269 967 HE1 HIS 125 1HE HIS 125 4.741 -2.666 19.690 968 HE2 HIS 125 2HE HIS 125 5.926 -0.807 20.945 969 H ARG 126 H ARG 126 4.984 2.915 15.122 970 HA ARG 126 HA ARG 126 4.344 4.094 17.555 971 HB2 ARG 126 2HB ARG 126 4.716 5.306 15.391 972 HB3 ARG 126 1HB ARG 126 3.082 4.847 14.918 973 HG2 ARG 126 2HG ARG 126 2.179 5.998 16.909 974 HG3 ARG 126 1HG ARG 126 3.815 6.476 17.365 975 HD2 ARG 126 2HD ARG 126 4.030 7.664 15.176 976 HD3 ARG 126 1HD ARG 126 2.343 7.278 14.839 977 HE ARG 126 HE ARG 126 2.274 8.531 17.318 978 HH11 ARG 126 1HH1 ARG 126 2.008 10.765 17.535 979 HH12 ARG 126 2HH1 ARG 126 2.457 11.808 16.227 980 HH21 ARG 126 1HH2 ARG 126 3.505 9.219 14.171 981 HH22 ARG 126 2HH2 ARG 126 3.304 10.934 14.323 982 H HIS 127 H HIS 127 2.195 2.236 15.418 983 HA HIS 127 HA HIS 127 -0.186 2.975 16.915 984 HB2 HIS 127 2HB HIS 127 -1.011 0.707 15.775 985 HB3 HIS 127 1HB HIS 127 -0.886 2.206 14.869 986 HD1 HIS 127 1HD HIS 127 2.080 0.045 15.827 987 HD2 HIS 127 2HD HIS 127 -0.134 1.072 12.450 988 HE1 HIS 127 1HE HIS 127 3.297 -0.930 13.829 989 HE2 HIS 127 2HE HIS 127 1.972 -0.297 11.775 990 H GLY 128 H GLY 128 2.372 0.738 17.428 991 HA2 GLY 128 2HA GLY 128 2.737 -0.364 19.525 992 HA3 GLY 128 1HA GLY 128 1.024 -0.166 19.896 993 H ASP 129 H ASP 129 1.454 -2.535 20.509 994 HA ASP 129 HA ASP 129 1.823 -4.503 18.443 995 HB2 ASP 129 2HB ASP 129 0.589 -4.711 21.204 996 HB3 ASP 129 1HB ASP 129 0.959 -6.095 20.173 997 H GLY 130 H GLY 130 0.251 -5.839 17.439 998 HA2 GLY 130 2HA GLY 130 -2.028 -6.529 16.981 999 HA3 GLY 130 1HA GLY 130 -2.599 -5.049 17.762 1000 H ALA 131 H ALA 131 -0.172 -3.857 16.074 1001 HA ALA 131 HA ALA 131 -1.787 -2.668 14.051 1002 HB1 ALA 131 1HB ALA 131 1.224 -2.971 14.169 1003 HB2 ALA 131 2HB ALA 131 0.295 -1.663 14.896 1004 HB3 ALA 131 3HB ALA 131 0.339 -1.844 13.144 1005 H TRP 132 H TRP 132 0.467 -5.443 13.966 1006 HA TRP 132 HA TRP 132 0.440 -5.850 11.176 1007 HB2 TRP 132 2HB TRP 132 1.840 -7.164 12.801 1008 HB3 TRP 132 1HB TRP 132 0.389 -8.072 13.240 1009 HD1 TRP 132 HD TRP 132 -0.638 -9.704 11.424 1010 HE1 TRP 132 1HE TRP 132 0.345 -10.751 9.285 1011 HE3 TRP 132 3HE TRP 132 3.513 -6.764 10.812 1012 HZ2 TRP 132 2HZ TRP 132 2.582 -10.394 7.549 1013 HZ3 TRP 132 3HZ TRP 132 5.044 -7.150 8.907 1014 HH2 TRP 132 HH TRP 132 4.587 -8.959 7.276 1015 H ASN 133 H ASN 133 -1.971 -6.574 13.628 1016 HA ASN 133 HA ASN 133 -3.684 -8.283 12.153 1017 HB2 ASN 133 2HB ASN 133 -3.915 -7.484 14.590 1018 HB3 ASN 133 1HB ASN 133 -4.662 -6.033 13.925 1019 HD21 ASN 133 1HD2 ASN 133 -6.899 -6.177 13.807 1020 HD22 ASN 133 2HD2 ASN 133 -7.779 -7.614 13.594 1021 H ILE 134 H ILE 134 -3.426 -4.749 12.235 1022 HA ILE 134 HA ILE 134 -5.526 -4.151 10.406 1023 HB ILE 134 HB ILE 134 -2.884 -2.735 10.825 1024 HG12 ILE 134 2HG1 ILE 134 -5.595 -2.233 12.090 1025 HG13 ILE 134 1HG1 ILE 134 -4.255 -3.054 12.895 1026 HG21 ILE 134 1HG2 ILE 134 -3.578 -1.284 9.271 1027 HG22 ILE 134 2HG2 ILE 134 -5.070 -1.019 10.173 1028 HG23 ILE 134 3HG2 ILE 134 -4.983 -2.303 8.968 1029 HD11 ILE 134 1HD1 ILE 134 -4.546 -0.168 12.165 1030 HD12 ILE 134 2HD1 ILE 134 -2.929 -0.871 12.145 1031 HD13 ILE 134 3HD1 ILE 134 -3.881 -0.892 13.629 1032 H HIS 135 H HIS 135 -2.078 -4.807 9.982 1033 HA HIS 135 HA HIS 135 -2.005 -4.619 7.130 1034 HB2 HIS 135 2HB HIS 135 0.069 -4.595 8.381 1035 HB3 HIS 135 1HB HIS 135 -0.291 -6.173 9.084 1036 HD1 HIS 135 1HD HIS 135 -1.298 -5.977 5.615 1037 HD2 HIS 135 2HD HIS 135 2.190 -6.974 7.653 1038 HE1 HIS 135 1HE HIS 135 0.146 -7.204 3.950 1039 HE2 HIS 135 2HE HIS 135 2.295 -7.818 5.177 1040 H LYS 136 H LYS 136 -2.841 -7.232 9.353 1041 HA LYS 136 HA LYS 136 -2.761 -9.417 7.586 1042 HB2 LYS 136 2HB LYS 136 -3.335 -9.529 10.038 1043 HB3 LYS 136 1HB LYS 136 -4.933 -8.926 9.630 1044 HG2 LYS 136 2HG LYS 136 -5.270 -10.841 8.124 1045 HG3 LYS 136 1HG LYS 136 -3.684 -11.460 8.569 1046 HD2 LYS 136 2HD LYS 136 -4.446 -11.510 10.962 1047 HD3 LYS 136 1HD LYS 136 -6.063 -11.078 10.403 1048 HE2 LYS 136 2HE LYS 136 -6.162 -13.101 9.030 1049 HE3 LYS 136 1HE LYS 136 -4.515 -13.523 9.499 1050 HZ1 LYS 136 1HZ LYS 136 -5.378 -14.570 11.232 1051 HZ2 LYS 136 2HZ LYS 136 -6.939 -13.996 10.885 1052 HZ3 LYS 136 3HZ LYS 136 -5.888 -13.075 11.849 1053 H ALA 137 H ALA 137 -5.176 -6.851 7.919 1054 HA ALA 137 HA ALA 137 -7.084 -8.018 6.100 1055 HB1 ALA 137 1HB ALA 137 -6.531 -5.233 7.071 1056 HB2 ALA 137 2HB ALA 137 -7.975 -6.218 7.303 1057 HB3 ALA 137 3HB ALA 137 -7.654 -5.478 5.736 1058 H LEU 138 H LEU 138 -4.348 -5.775 5.663 1059 HA LEU 138 HA LEU 138 -4.696 -5.522 2.811 1060 HB2 LEU 138 2HB LEU 138 -2.163 -5.226 4.450 1061 HB3 LEU 138 1HB LEU 138 -2.411 -4.631 2.815 1062 HG LEU 138 HG LEU 138 -3.969 -3.765 5.266 1063 HD11 LEU 138 1HD1 LEU 138 -2.196 -2.387 5.545 1064 HD12 LEU 138 2HD1 LEU 138 -2.744 -1.565 4.085 1065 HD13 LEU 138 3HD1 LEU 138 -1.516 -2.826 3.978 1066 HD21 LEU 138 1HD2 LEU 138 -5.522 -3.443 3.586 1067 HD22 LEU 138 2HD2 LEU 138 -4.292 -3.325 2.328 1068 HD23 LEU 138 3HD2 LEU 138 -4.596 -1.955 3.393 1069 H ASP 139 H ASP 139 -3.071 -7.836 4.894 1070 HA ASP 139 HA ASP 139 -2.303 -9.997 4.428 1071 HB2 ASP 139 2HB ASP 139 -4.198 -9.469 2.406 1072 HB3 ASP 139 1HB ASP 139 -2.793 -10.166 1.601 1073 H GLY 140 H GLY 140 -0.120 -9.845 4.571 1074 HA2 GLY 140 2HA GLY 140 1.362 -9.182 2.067 1075 HA3 GLY 140 1HA GLY 140 1.920 -8.582 3.629 1076 HA PRO 141 HA PRO 141 2.180 -13.540 3.588 1077 HB2 PRO 141 2HB PRO 141 2.763 -13.702 0.668 1078 HB3 PRO 141 1HB PRO 141 1.856 -14.825 1.701 1079 HG2 PRO 141 2HG PRO 141 0.614 -13.206 0.004 1080 HG3 PRO 141 1HG PRO 141 -0.068 -13.577 1.597 1081 HD2 PRO 141 2HD PRO 141 1.259 -11.068 0.657 1082 HD3 PRO 141 1HD PRO 141 -0.052 -11.280 1.838 1083 H SER 142 H SER 142 4.209 -14.264 4.156 1084 HA SER 142 HA SER 142 6.520 -12.656 3.779 1085 HB2 SER 142 2HB SER 142 7.257 -14.071 5.367 1086 HB3 SER 142 1HB SER 142 5.845 -15.092 5.114 1087 HG SER 142 HG SER 142 7.491 -16.390 4.577 1088 HA PRO 143 HA PRO 143 7.674 -15.537 0.176 1089 HB2 PRO 143 2HB PRO 143 5.905 -17.432 -0.653 1090 HB3 PRO 143 1HB PRO 143 7.045 -17.698 0.679 1091 HG2 PRO 143 2HG PRO 143 4.141 -17.266 0.755 1092 HG3 PRO 143 1HG PRO 143 5.198 -18.073 1.922 1093 HD2 PRO 143 2HD PRO 143 4.144 -15.421 2.089 1094 HD3 PRO 143 1HD PRO 143 5.296 -16.192 3.198 1095 H GLY 144 H GLY 144 4.114 -15.575 -0.243 1096 HA2 GLY 144 2HA GLY 144 4.339 -14.444 -2.926 1097 HA3 GLY 144 1HA GLY 144 2.834 -14.790 -2.069 1098 H GLU 145 H GLU 145 5.599 -12.738 -1.183 1099 HA GLU 145 HA GLU 145 4.215 -10.713 0.110 1100 HB2 GLU 145 2HB GLU 145 6.606 -10.403 -1.704 1101 HB3 GLU 145 1HB GLU 145 6.045 -9.188 -0.573 1102 HG2 GLU 145 2HG GLU 145 6.329 -10.902 1.259 1103 HG3 GLU 145 1HG GLU 145 7.144 -11.919 0.067 1104 H THR 146 H THR 146 4.214 -8.333 -0.878 1105 HA THR 146 HA THR 146 2.060 -8.139 -2.709 1106 HB THR 146 HB THR 146 4.215 -6.050 -2.401 1107 HG1 THR 146 1HG THR 146 3.693 -5.852 -0.406 1108 HG21 THR 146 1HG2 THR 146 2.147 -4.566 -2.538 1109 HG22 THR 146 2HG2 THR 146 1.262 -6.017 -3.009 1110 HG23 THR 146 3HG2 THR 146 2.586 -5.426 -4.013 1111 H LEU 147 H LEU 147 5.554 -7.963 -3.187 1112 HA LEU 147 HA LEU 147 5.611 -7.245 -5.902 1113 HB2 LEU 147 2HB LEU 147 7.503 -9.182 -4.544 1114 HB3 LEU 147 1HB LEU 147 7.854 -8.133 -5.919 1115 HG LEU 147 HG LEU 147 6.881 -6.386 -3.976 1116 HD11 LEU 147 1HD1 LEU 147 7.139 -8.278 -2.345 1117 HD12 LEU 147 2HD1 LEU 147 8.124 -6.867 -1.958 1118 HD13 LEU 147 3HD1 LEU 147 8.865 -8.285 -2.702 1119 HD21 LEU 147 1HD2 LEU 147 9.731 -7.120 -4.707 1120 HD22 LEU 147 2HD2 LEU 147 9.269 -5.650 -3.849 1121 HD23 LEU 147 3HD2 LEU 147 8.727 -5.914 -5.508 1122 H ALA 148 H ALA 148 4.931 -10.362 -4.419 1123 HA ALA 148 HA ALA 148 5.261 -11.914 -6.819 1124 HB1 ALA 148 1HB ALA 148 4.982 -13.567 -5.334 1125 HB2 ALA 148 2HB ALA 148 3.290 -13.106 -5.142 1126 HB3 ALA 148 3HB ALA 148 4.525 -12.387 -4.106 1127 H ARG 149 H ARG 149 2.274 -10.744 -5.221 1128 HA ARG 149 HA ARG 149 0.621 -11.669 -7.394 1129 HB2 ARG 149 2HB ARG 149 -1.084 -10.092 -6.174 1130 HB3 ARG 149 1HB ARG 149 -0.544 -11.581 -5.402 1131 HG2 ARG 149 2HG ARG 149 0.628 -10.474 -3.794 1132 HG3 ARG 149 1HG ARG 149 1.176 -9.230 -4.915 1133 HD2 ARG 149 2HD ARG 149 -0.944 -8.088 -4.803 1134 HD3 ARG 149 1HD ARG 149 -1.658 -9.403 -3.869 1135 HE ARG 149 HE ARG 149 0.034 -7.281 -2.813 1136 HH11 ARG 149 1HH1 ARG 149 0.444 -7.374 -0.592 1137 HH12 ARG 149 2HH1 ARG 149 0.112 -8.835 0.276 1138 HH21 ARG 149 1HH2 ARG 149 -1.035 -10.545 -2.515 1139 HH22 ARG 149 2HH2 ARG 149 -0.726 -10.630 -0.812 1140 H PHE 150 H PHE 150 1.421 -8.297 -6.388 1141 HA PHE 150 HA PHE 150 0.074 -7.235 -8.722 1142 HB2 PHE 150 2HB PHE 150 0.180 -5.312 -7.592 1143 HB3 PHE 150 1HB PHE 150 0.994 -6.192 -6.297 1144 HD1 PHE 150 1HD PHE 150 3.569 -6.592 -6.692 1145 HD2 PHE 150 2HD PHE 150 1.266 -3.516 -8.590 1146 HE1 PHE 150 1HE PHE 150 5.631 -5.331 -7.125 1147 HE2 PHE 150 2HE PHE 150 3.343 -2.235 -9.032 1148 HZ PHE 150 HZ PHE 150 5.530 -3.143 -8.301 1149 H ALA 151 H ALA 151 3.513 -7.859 -8.000 1150 HA ALA 151 HA ALA 151 4.411 -6.460 -10.356 1151 HB1 ALA 151 1HB ALA 151 5.703 -7.355 -8.175 1152 HB2 ALA 151 2HB ALA 151 6.525 -6.992 -9.690 1153 HB3 ALA 151 3HB ALA 151 6.097 -8.656 -9.300 1154 H ASN 152 H ASN 152 3.814 -9.905 -9.689 1155 HA ASN 152 HA ASN 152 4.705 -10.850 -12.232 1156 HB2 ASN 152 2HB ASN 152 3.817 -12.909 -11.633 1157 HB3 ASN 152 1HB ASN 152 4.006 -12.152 -10.052 1158 HD21 ASN 152 1HD2 ASN 152 2.007 -11.074 -9.139 1159 HD22 ASN 152 2HD2 ASN 152 0.480 -11.678 -9.582 1160 H VAL 153 H VAL 153 1.476 -9.805 -11.159 1161 HA VAL 153 HA VAL 153 0.194 -10.416 -13.657 1162 HB VAL 153 HB VAL 153 -1.586 -8.852 -12.818 1163 HG11 VAL 153 1HG1 VAL 153 -0.589 -11.306 -11.597 1164 HG12 VAL 153 2HG1 VAL 153 -2.247 -10.846 -11.988 1165 HG13 VAL 153 3HG1 VAL 153 -1.526 -10.334 -10.461 1166 HG21 VAL 153 1HG2 VAL 153 -1.150 -8.345 -10.264 1167 HG22 VAL 153 2HG2 VAL 153 -0.575 -7.229 -11.502 1168 HG23 VAL 153 3HG2 VAL 153 0.534 -8.376 -10.765 1169 H ILE 154 H ILE 154 1.783 -7.498 -12.412 1170 HA ILE 154 HA ILE 154 0.993 -5.775 -14.552 1171 HB ILE 154 HB ILE 154 3.300 -5.762 -12.630 1172 HG12 ILE 154 2HG1 ILE 154 0.996 -3.845 -13.035 1173 HG13 ILE 154 1HG1 ILE 154 0.999 -5.155 -11.853 1174 HG21 ILE 154 1HG2 ILE 154 2.772 -3.973 -14.992 1175 HG22 ILE 154 2HG2 ILE 154 4.281 -4.755 -14.523 1176 HG23 ILE 154 3HG2 ILE 154 3.667 -3.393 -13.589 1177 HD11 ILE 154 1HD1 ILE 154 3.035 -4.202 -10.817 1178 HD12 ILE 154 2HD1 ILE 154 1.698 -3.049 -10.787 1179 HD13 ILE 154 3HD1 ILE 154 2.994 -2.870 -11.975 1180 HBC 969 201 HBC PDM 155 4.971 -7.747 3.540 1181 HBD 969 201 HBD PDM 155 5.923 -9.203 3.163 1182 HBE 969 201 HBE PDM 155 4.488 -8.803 2.190 1183 HBA 969 201 HBA PDM 155 6.928 -6.991 2.364 1184 HBB 969 201 HBB PDM 155 6.747 -8.249 1.122 1185 HA0 969 201 0HA PDM 155 3.982 -6.466 2.623 1186 HAY 969 201 HAY PDM 155 3.403 -7.525 1.313 1187 HAZ 969 201 HAZ PDM 155 3.371 -5.755 1.115 1188 HBF 969 201 HBF PDM 155 6.176 -7.475 -0.647 1189 HAQ 969 201 HAQ PDM 155 5.306 -4.306 -4.154 1190 HAL 969 201 HAL PDM 155 7.052 -4.066 -7.244 1191 HAM 969 201 HAM PDM 155 9.107 -2.693 -7.351 1192 HAN 969 201 HAN PDM 155 10.188 -1.921 -5.263 1193 HAE 969 201 HAE PDM 155 10.456 -1.900 -0.473 1194 HAS 969 201 HAS PDM 155 9.770 -3.287 2.678 1195 HAT 969 201 HAT PDM 155 9.152 -1.631 2.456 1196 HAU 969 201 HAU PDM 155 10.703 -2.107 1.727 1197 HAV 969 201 HAV PDM 155 5.685 -4.974 3.090 Start of MODEL 13 1 H1 MET 1 1HT MET 1 5.485 -13.073 11.063 2 H2 MET 1 2HT MET 1 6.161 -12.212 9.763 3 H3 MET 1 3HT MET 1 4.904 -13.321 9.488 4 HA MET 1 HA MET 1 4.584 -10.656 9.789 5 HB2 MET 1 2HB MET 1 2.139 -11.433 10.354 6 HB3 MET 1 1HB MET 1 2.843 -11.860 8.793 7 HG2 MET 1 2HG MET 1 3.205 -14.082 9.414 8 HG3 MET 1 1HG MET 1 3.204 -13.705 11.137 9 HE1 MET 1 1HE MET 1 1.884 -16.081 9.980 10 HE2 MET 1 2HE MET 1 1.260 -15.432 8.466 11 HE3 MET 1 3HE MET 1 0.141 -16.050 9.678 12 HA PRO 2 HA PRO 2 5.235 -11.052 14.430 13 HB2 PRO 2 2HB PRO 2 6.575 -8.453 13.984 14 HB3 PRO 2 1HB PRO 2 7.153 -9.885 14.857 15 HG2 PRO 2 2HG PRO 2 8.144 -9.157 12.472 16 HG3 PRO 2 1HG PRO 2 8.018 -10.850 12.979 17 HD2 PRO 2 2HD PRO 2 6.310 -9.328 11.049 18 HD3 PRO 2 1HD PRO 2 6.791 -11.042 11.027 19 H GLU 3 H GLU 3 4.069 -9.887 16.016 20 HA GLU 3 HA GLU 3 1.828 -8.348 15.117 21 HB2 GLU 3 2HB GLU 3 1.220 -8.197 17.393 22 HB3 GLU 3 1HB GLU 3 2.071 -9.735 17.274 23 HG2 GLU 3 2HG GLU 3 4.176 -8.498 17.926 24 HG3 GLU 3 1HG GLU 3 3.158 -7.107 18.290 25 H GLU 4 H GLU 4 5.070 -7.511 16.003 26 HA GLU 4 HA GLU 4 4.360 -4.631 16.193 27 HB2 GLU 4 2HB GLU 4 5.884 -5.650 17.898 28 HB3 GLU 4 1HB GLU 4 7.038 -5.968 16.606 29 HG2 GLU 4 2HG GLU 4 7.066 -3.533 16.071 30 HG3 GLU 4 1HG GLU 4 6.002 -3.251 17.453 31 H ILE 5 H ILE 5 5.086 -3.140 14.659 32 HA ILE 5 HA ILE 5 6.443 -4.307 12.263 33 HB ILE 5 HB ILE 5 4.976 -1.827 11.804 34 HG12 ILE 5 2HG1 ILE 5 3.519 -2.790 13.548 35 HG13 ILE 5 1HG1 ILE 5 2.745 -2.796 11.969 36 HG21 ILE 5 1HG2 ILE 5 4.890 -4.596 10.615 37 HG22 ILE 5 2HG2 ILE 5 5.839 -3.232 10.022 38 HG23 ILE 5 3HG2 ILE 5 4.077 -3.183 9.945 39 HD11 ILE 5 1HD1 ILE 5 2.567 -5.026 11.993 40 HD12 ILE 5 2HD1 ILE 5 3.131 -5.001 13.663 41 HD13 ILE 5 3HD1 ILE 5 4.284 -5.205 12.344 42 HA PRO 6 HA PRO 6 9.225 -0.992 13.781 43 HB2 PRO 6 2HB PRO 6 11.567 -2.317 13.279 44 HB3 PRO 6 1HB PRO 6 10.637 -2.516 14.777 45 HG2 PRO 6 2HG PRO 6 10.904 -4.329 12.469 46 HG3 PRO 6 1HG PRO 6 10.566 -4.695 14.167 47 HD2 PRO 6 2HD PRO 6 8.677 -4.624 12.067 48 HD3 PRO 6 1HD PRO 6 8.315 -4.694 13.805 49 H ASP 7 H ASP 7 10.960 0.213 12.550 50 HA ASP 7 HA ASP 7 10.168 0.649 9.839 51 HB2 ASP 7 2HB ASP 7 12.041 2.188 9.736 52 HB3 ASP 7 1HB ASP 7 11.284 2.340 11.321 53 H VAL 8 H VAL 8 10.727 -0.447 8.042 54 HA VAL 8 HA VAL 8 13.350 -1.840 7.948 55 HB VAL 8 HB VAL 8 11.641 -3.541 8.556 56 HG11 VAL 8 1HG1 VAL 8 10.373 -2.694 5.932 57 HG12 VAL 8 2HG1 VAL 8 9.670 -2.527 7.539 58 HG13 VAL 8 3HG1 VAL 8 9.919 -4.127 6.849 59 HG21 VAL 8 1HG2 VAL 8 12.501 -5.128 7.111 60 HG22 VAL 8 2HG2 VAL 8 13.628 -3.808 6.799 61 HG23 VAL 8 3HG2 VAL 8 12.287 -4.104 5.692 62 H ARG 9 H ARG 9 14.303 -1.732 5.890 63 HA ARG 9 HA ARG 9 12.682 -0.325 3.796 64 HB2 ARG 9 2HB ARG 9 14.450 1.110 4.768 65 HB3 ARG 9 1HB ARG 9 15.658 -0.095 4.315 66 HG2 ARG 9 2HG ARG 9 15.016 0.161 1.940 67 HG3 ARG 9 1HG ARG 9 13.836 1.388 2.398 68 HD2 ARG 9 2HD ARG 9 15.687 2.741 3.388 69 HD3 ARG 9 1HD ARG 9 16.837 1.544 2.791 70 HE ARG 9 HE ARG 9 15.232 2.404 0.601 71 HH11 ARG 9 1HH1 ARG 9 16.083 3.931 -0.833 72 HH12 ARG 9 2HH1 ARG 9 17.404 4.931 -0.329 73 HH21 ARG 9 1HH2 ARG 9 17.601 3.532 2.837 74 HH22 ARG 9 2HH2 ARG 9 18.264 4.705 1.749 75 H LYS 10 H LYS 10 12.480 -1.407 1.919 76 HA LYS 10 HA LYS 10 14.589 -3.335 1.114 77 HB2 LYS 10 2HB LYS 10 11.630 -4.007 1.201 78 HB3 LYS 10 1HB LYS 10 12.903 -5.046 0.556 79 HG2 LYS 10 2HG LYS 10 14.010 -4.920 2.839 80 HG3 LYS 10 1HG LYS 10 12.535 -4.148 3.423 81 HD2 LYS 10 2HD LYS 10 12.632 -6.856 2.063 82 HD3 LYS 10 1HD LYS 10 12.545 -6.615 3.808 83 HE2 LYS 10 2HE LYS 10 10.451 -5.187 3.318 84 HE3 LYS 10 1HE LYS 10 10.479 -5.928 1.718 85 HZ1 LYS 10 1HZ LYS 10 9.083 -7.201 3.185 86 HZ2 LYS 10 2HZ LYS 10 10.340 -7.357 4.317 87 HZ3 LYS 10 3HZ LYS 10 10.461 -8.111 2.800 88 H SER 11 H SER 11 14.328 -3.932 -1.234 89 HA SER 11 HA SER 11 12.550 -2.226 -2.817 90 HB2 SER 11 2HB SER 11 14.281 -1.032 -3.978 91 HB3 SER 11 1HB SER 11 14.506 -0.781 -2.247 92 HG SER 11 HG SER 11 15.827 -2.756 -3.809 93 H VAL 12 H VAL 12 12.480 -2.833 -5.030 94 HA VAL 12 HA VAL 12 14.151 -5.053 -5.967 95 HB VAL 12 HB VAL 12 11.228 -5.381 -5.343 96 HG11 VAL 12 1HG1 VAL 12 12.956 -6.836 -7.339 97 HG12 VAL 12 2HG1 VAL 12 11.335 -6.180 -7.567 98 HG13 VAL 12 3HG1 VAL 12 11.572 -7.625 -6.585 99 HG21 VAL 12 1HG2 VAL 12 12.626 -6.119 -3.553 100 HG22 VAL 12 2HG2 VAL 12 13.774 -6.866 -4.666 101 HG23 VAL 12 3HG2 VAL 12 12.181 -7.583 -4.430 102 H VAL 13 H VAL 13 13.817 -5.452 -8.263 103 HA VAL 13 HA VAL 13 12.613 -3.088 -9.602 104 HB VAL 13 HB VAL 13 14.507 -5.168 -10.734 105 HG11 VAL 13 1HG1 VAL 13 14.695 -2.775 -12.155 106 HG12 VAL 13 2HG1 VAL 13 12.965 -2.955 -11.856 107 HG13 VAL 13 3HG1 VAL 13 13.855 -4.233 -12.686 108 HG21 VAL 13 1HG2 VAL 13 16.262 -3.930 -9.980 109 HG22 VAL 13 2HG2 VAL 13 15.104 -3.277 -8.821 110 HG23 VAL 13 3HG2 VAL 13 15.444 -2.404 -10.316 111 H VAL 14 H VAL 14 10.874 -3.337 -10.915 112 HA VAL 14 HA VAL 14 9.995 -6.120 -11.556 113 HB VAL 14 HB VAL 14 8.558 -5.334 -9.781 114 HG11 VAL 14 1HG1 VAL 14 8.566 -3.077 -9.515 115 HG12 VAL 14 2HG1 VAL 14 7.229 -3.093 -10.667 116 HG13 VAL 14 3HG1 VAL 14 8.873 -2.786 -11.227 117 HG21 VAL 14 1HG2 VAL 14 7.479 -6.428 -11.792 118 HG22 VAL 14 2HG2 VAL 14 7.107 -4.815 -12.400 119 HG23 VAL 14 3HG2 VAL 14 6.397 -5.371 -10.887 120 H ALA 15 H ALA 15 8.635 -6.237 -13.519 121 HA ALA 15 HA ALA 15 9.630 -4.465 -15.597 122 HB1 ALA 15 1HB ALA 15 8.904 -6.958 -15.806 123 HB2 ALA 15 2HB ALA 15 8.468 -5.857 -17.113 124 HB3 ALA 15 3HB ALA 15 7.266 -6.311 -15.905 125 H ALA 16 H ALA 16 8.887 -2.334 -15.156 126 HA ALA 16 HA ALA 16 6.159 -1.747 -15.900 127 HB1 ALA 16 1HB ALA 16 6.770 -1.173 -13.002 128 HB2 ALA 16 2HB ALA 16 6.035 -2.702 -13.485 129 HB3 ALA 16 3HB ALA 16 5.207 -1.182 -13.818 130 H SER 17 H SER 17 5.730 0.610 -15.697 131 HA SER 17 HA SER 17 8.273 2.157 -15.747 132 HB2 SER 17 2HB SER 17 5.547 2.862 -16.883 133 HB3 SER 17 1HB SER 17 7.012 3.827 -17.049 134 HG SER 17 HG SER 17 6.431 2.320 -18.825 135 H VAL 18 H VAL 18 8.375 4.077 -14.429 136 HA VAL 18 HA VAL 18 7.090 3.965 -11.935 137 HB VAL 18 HB VAL 18 7.850 6.271 -11.620 138 HG11 VAL 18 1HG1 VAL 18 10.115 5.766 -11.750 139 HG12 VAL 18 2HG1 VAL 18 9.959 5.040 -13.344 140 HG13 VAL 18 3HG1 VAL 18 9.419 4.154 -11.924 141 HG21 VAL 18 1HG2 VAL 18 7.253 7.373 -13.631 142 HG22 VAL 18 2HG2 VAL 18 8.053 6.159 -14.629 143 HG23 VAL 18 3HG2 VAL 18 9.015 7.305 -13.695 144 H GLU 19 H GLU 19 6.163 5.838 -14.822 145 HA GLU 19 HA GLU 19 3.866 7.074 -13.653 146 HB2 GLU 19 2HB GLU 19 4.878 7.721 -15.861 147 HB3 GLU 19 1HB GLU 19 4.217 6.235 -16.538 148 HG2 GLU 19 2HG GLU 19 1.937 6.969 -15.853 149 HG3 GLU 19 1HG GLU 19 2.627 8.491 -15.288 150 H HIS 20 H HIS 20 4.383 3.989 -15.288 151 HA HIS 20 HA HIS 20 1.642 3.134 -15.298 152 HB2 HIS 20 2HB HIS 20 3.151 1.926 -16.701 153 HB3 HIS 20 1HB HIS 20 4.265 1.630 -15.364 154 HD1 HIS 20 1HD HIS 20 1.261 0.281 -17.021 155 HD2 HIS 20 2HD HIS 20 3.186 -0.250 -13.351 156 HE1 HIS 20 1HE HIS 20 0.303 -1.823 -15.993 157 HE2 HIS 20 2HE HIS 20 1.491 -2.176 -13.791 158 H CYS 21 H CYS 21 4.310 2.704 -13.014 159 HA CYS 21 HA CYS 21 3.178 0.909 -11.214 160 HB2 CYS 21 2HB CYS 21 4.821 3.380 -10.600 161 HB3 CYS 21 1HB CYS 21 4.578 2.031 -9.498 162 HG CYS 21 HG CYS 21 5.660 0.927 -12.054 163 H PHE 22 H PHE 22 2.705 4.432 -11.358 164 HA PHE 22 HA PHE 22 0.791 4.276 -9.148 165 HB2 PHE 22 2HB PHE 22 2.238 6.399 -10.498 166 HB3 PHE 22 1HB PHE 22 0.537 6.817 -10.228 167 HD1 PHE 22 1HD PHE 22 -0.324 7.174 -8.034 168 HD2 PHE 22 2HD PHE 22 3.617 5.563 -8.579 169 HE1 PHE 22 1HE PHE 22 0.096 7.386 -5.602 170 HE2 PHE 22 2HE PHE 22 4.046 5.784 -6.151 171 HZ PHE 22 HZ PHE 22 2.283 6.687 -4.665 172 H GLU 23 H GLU 23 0.646 4.417 -12.651 173 HA GLU 23 HA GLU 23 -2.085 5.192 -12.892 174 HB2 GLU 23 2HB GLU 23 -0.578 4.978 -14.841 175 HB3 GLU 23 1HB GLU 23 -0.526 3.234 -14.593 176 HG2 GLU 23 2HG GLU 23 -2.980 3.122 -14.907 177 HG3 GLU 23 1HG GLU 23 -3.004 4.860 -15.218 178 H VAL 24 H VAL 24 -0.537 2.078 -12.302 179 HA VAL 24 HA VAL 24 -2.952 0.522 -12.339 180 HB VAL 24 HB VAL 24 -0.268 0.034 -11.005 181 HG11 VAL 24 1HG1 VAL 24 -0.884 -2.177 -10.669 182 HG12 VAL 24 2HG1 VAL 24 -2.168 -2.115 -11.872 183 HG13 VAL 24 3HG1 VAL 24 -2.397 -1.353 -10.302 184 HG21 VAL 24 1HG2 VAL 24 -0.309 -1.589 -13.139 185 HG22 VAL 24 2HG2 VAL 24 0.271 0.071 -13.243 186 HG23 VAL 24 3HG2 VAL 24 -1.368 -0.321 -13.756 187 H PHE 25 H PHE 25 -1.123 2.167 -9.779 188 HA PHE 25 HA PHE 25 -2.489 1.206 -7.509 189 HB2 PHE 25 2HB PHE 25 -1.242 3.883 -8.141 190 HB3 PHE 25 1HB PHE 25 -1.919 3.518 -6.561 191 HD1 PHE 25 1HD PHE 25 0.442 4.032 -5.785 192 HD2 PHE 25 2HD PHE 25 -0.481 0.610 -8.232 193 HE1 PHE 25 1HE PHE 25 2.568 2.965 -5.114 194 HE2 PHE 25 2HE PHE 25 1.630 -0.444 -7.548 195 HZ PHE 25 HZ PHE 25 3.151 0.721 -5.991 196 H THR 26 H THR 26 -3.317 4.009 -9.548 197 HA THR 26 HA THR 26 -5.813 4.354 -8.029 198 HB THR 26 HB THR 26 -6.118 6.332 -9.527 199 HG1 THR 26 1HG THR 26 -3.535 6.202 -10.414 200 HG21 THR 26 1HG2 THR 26 -3.657 7.258 -8.743 201 HG22 THR 26 2HG2 THR 26 -3.880 5.881 -7.666 202 HG23 THR 26 3HG2 THR 26 -5.075 7.183 -7.695 203 H SER 27 H SER 27 -4.899 2.407 -10.589 204 HA SER 27 HA SER 27 -7.436 2.773 -12.058 205 HB2 SER 27 2HB SER 27 -5.376 2.452 -13.353 206 HB3 SER 27 1HB SER 27 -5.154 0.881 -12.597 207 HG SER 27 HG SER 27 -7.613 1.419 -13.784 208 H ARG 28 H ARG 28 -5.818 0.067 -10.262 209 HA ARG 28 HA ARG 28 -8.365 -0.906 -9.331 210 HB2 ARG 28 2HB ARG 28 -8.337 -3.034 -10.740 211 HB3 ARG 28 1HB ARG 28 -8.854 -1.568 -11.554 212 HG2 ARG 28 2HG ARG 28 -7.335 -2.452 -13.099 213 HG3 ARG 28 1HG ARG 28 -6.319 -1.335 -12.210 214 HD2 ARG 28 2HD ARG 28 -5.226 -3.045 -11.057 215 HD3 ARG 28 1HD ARG 28 -6.528 -4.205 -11.330 216 HE ARG 28 HE ARG 28 -5.465 -4.780 -13.339 217 HH11 ARG 28 1HH1 ARG 28 -4.012 -4.459 -15.040 218 HH12 ARG 28 2HH1 ARG 28 -3.147 -2.962 -15.151 219 HH21 ARG 28 1HH2 ARG 28 -4.591 -1.608 -12.306 220 HH22 ARG 28 2HH2 ARG 28 -3.477 -1.348 -13.605 221 HA PRO 29 HA PRO 29 -4.225 -2.668 -7.614 222 HB2 PRO 29 2HB PRO 29 -5.005 -1.871 -5.019 223 HB3 PRO 29 1HB PRO 29 -3.769 -1.108 -6.034 224 HG2 PRO 29 2HG PRO 29 -6.597 -0.339 -5.599 225 HG3 PRO 29 1HG PRO 29 -5.178 0.680 -5.895 226 HD2 PRO 29 2HD PRO 29 -6.995 0.253 -7.836 227 HD3 PRO 29 1HD PRO 29 -5.262 0.354 -8.210 228 H ALA 30 H ALA 30 -7.644 -2.844 -6.641 229 HA ALA 30 HA ALA 30 -7.191 -5.259 -5.054 230 HB1 ALA 30 1HB ALA 30 -9.708 -5.376 -5.022 231 HB2 ALA 30 2HB ALA 30 -9.729 -3.929 -6.027 232 HB3 ALA 30 3HB ALA 30 -9.045 -3.866 -4.401 233 H ASP 31 H ASP 31 -8.705 -4.576 -8.195 234 HA ASP 31 HA ASP 31 -9.400 -7.241 -8.847 235 HB2 ASP 31 2HB ASP 31 -10.017 -5.033 -10.048 236 HB3 ASP 31 1HB ASP 31 -8.509 -5.270 -10.933 237 H TRP 32 H TRP 32 -6.232 -6.000 -8.514 238 HA TRP 32 HA TRP 32 -4.727 -7.067 -10.565 239 HB2 TRP 32 2HB TRP 32 -4.226 -7.108 -7.597 240 HB3 TRP 32 1HB TRP 32 -3.096 -7.899 -8.689 241 HD1 TRP 32 HD TRP 32 -3.079 -5.751 -11.045 242 HE1 TRP 32 1HE TRP 32 -1.957 -3.488 -10.656 243 HE3 TRP 32 3HE TRP 32 -3.148 -5.608 -5.960 244 HZ2 TRP 32 2HZ TRP 32 -1.168 -1.813 -8.458 245 HZ3 TRP 32 3HZ TRP 32 -2.211 -3.673 -4.746 246 HH2 TRP 32 HH TRP 32 -1.213 -1.779 -5.976 247 H TRP 33 H TRP 33 -6.288 -8.931 -7.974 248 HA TRP 33 HA TRP 33 -5.173 -11.440 -8.964 249 HB2 TRP 33 2HB TRP 33 -6.661 -12.481 -7.273 250 HB3 TRP 33 1HB TRP 33 -5.669 -11.197 -6.585 251 HD1 TRP 33 HD TRP 33 -6.857 -8.996 -5.795 252 HE1 TRP 33 1HE TRP 33 -9.329 -8.384 -5.395 253 HE3 TRP 33 3HE TRP 33 -9.130 -12.921 -8.144 254 HZ2 TRP 33 2HZ TRP 33 -11.927 -9.421 -5.993 255 HZ3 TRP 33 3HZ TRP 33 -11.600 -13.084 -8.212 256 HH2 TRP 33 HH TRP 33 -13.001 -11.341 -7.140 257 HA PRO 34 HA PRO 34 -8.600 -11.660 -11.936 258 HB2 PRO 34 2HB PRO 34 -7.625 -13.687 -13.454 259 HB3 PRO 34 1HB PRO 34 -7.001 -12.030 -13.571 260 HG2 PRO 34 2HG PRO 34 -5.836 -14.401 -12.221 261 HG3 PRO 34 1HG PRO 34 -5.032 -13.079 -13.083 262 HD2 PRO 34 2HD PRO 34 -5.233 -13.279 -10.310 263 HD3 PRO 34 1HD PRO 34 -4.898 -11.780 -11.203 264 HA PRO 35 HA PRO 35 -11.407 -14.771 -10.522 265 HB2 PRO 35 2HB PRO 35 -11.292 -15.952 -13.272 266 HB3 PRO 35 1HB PRO 35 -12.704 -15.533 -12.284 267 HG2 PRO 35 2HG PRO 35 -11.851 -13.998 -14.319 268 HG3 PRO 35 1HG PRO 35 -12.639 -13.335 -12.879 269 HD2 PRO 35 2HD PRO 35 -9.822 -13.106 -13.720 270 HD3 PRO 35 1HD PRO 35 -10.730 -12.133 -12.542 271 H SER 36 H SER 36 -9.471 -15.683 -9.299 272 HA SER 36 HA SER 36 -8.807 -18.408 -10.339 273 HB2 SER 36 2HB SER 36 -6.965 -16.558 -8.797 274 HB3 SER 36 1HB SER 36 -6.577 -18.193 -9.322 275 HG SER 36 HG SER 36 -7.320 -17.172 -11.488 276 H HIS 37 H HIS 37 -8.627 -20.039 -8.704 277 HA HIS 37 HA HIS 37 -10.446 -19.886 -6.555 278 HB2 HIS 37 2HB HIS 37 -7.986 -21.635 -6.856 279 HB3 HIS 37 1HB HIS 37 -9.253 -21.892 -5.657 280 HD1 HIS 37 1HD HIS 37 -8.543 -22.167 -9.327 281 HD2 HIS 37 2HD HIS 37 -11.737 -22.830 -6.727 282 HE1 HIS 37 1HE HIS 37 -10.287 -23.451 -10.645 283 HE2 HIS 37 2HE HIS 37 -12.235 -23.859 -9.071 284 H VAL 38 H VAL 38 -6.989 -19.118 -6.657 285 HA VAL 38 HA VAL 38 -7.159 -18.245 -3.801 286 HB VAL 38 HB VAL 38 -4.695 -18.766 -5.493 287 HG11 VAL 38 1HG1 VAL 38 -3.557 -18.717 -3.278 288 HG12 VAL 38 2HG1 VAL 38 -5.086 -18.259 -2.527 289 HG13 VAL 38 3HG1 VAL 38 -4.308 -17.172 -3.677 290 HG21 VAL 38 1HG2 VAL 38 -5.979 -20.833 -5.080 291 HG22 VAL 38 2HG2 VAL 38 -6.027 -20.462 -3.356 292 HG23 VAL 38 3HG2 VAL 38 -4.488 -20.827 -4.137 293 H LEU 39 H LEU 39 -6.952 -16.082 -3.354 294 HA LEU 39 HA LEU 39 -5.654 -14.272 -5.270 295 HB2 LEU 39 2HB LEU 39 -7.774 -12.801 -5.289 296 HB3 LEU 39 1HB LEU 39 -7.781 -14.233 -6.318 297 HG LEU 39 HG LEU 39 -8.708 -14.769 -3.581 298 HD11 LEU 39 1HD1 LEU 39 -10.848 -13.636 -3.788 299 HD12 LEU 39 2HD1 LEU 39 -10.408 -13.010 -5.375 300 HD13 LEU 39 3HD1 LEU 39 -9.568 -12.432 -3.937 301 HD21 LEU 39 1HD2 LEU 39 -8.932 -16.388 -5.394 302 HD22 LEU 39 2HD2 LEU 39 -9.837 -15.224 -6.362 303 HD23 LEU 39 3HD2 LEU 39 -10.538 -15.874 -4.880 304 H VAL 40 H VAL 40 -8.184 -13.154 -3.155 305 HA VAL 40 HA VAL 40 -6.101 -12.051 -1.315 306 HB VAL 40 HB VAL 40 -8.920 -11.045 -1.835 307 HG11 VAL 40 1HG1 VAL 40 -8.413 -9.224 -0.447 308 HG12 VAL 40 2HG1 VAL 40 -6.673 -9.489 -0.573 309 HG13 VAL 40 3HG1 VAL 40 -7.659 -10.568 0.410 310 HG21 VAL 40 1HG2 VAL 40 -7.194 -10.900 -3.752 311 HG22 VAL 40 2HG2 VAL 40 -6.349 -9.739 -2.729 312 HG23 VAL 40 3HG2 VAL 40 -7.994 -9.403 -3.269 313 H LYS 41 H LYS 41 -6.274 -12.566 0.874 314 HA LYS 41 HA LYS 41 -7.920 -14.754 1.686 315 HB2 LYS 41 2HB LYS 41 -5.830 -14.010 2.868 316 HB3 LYS 41 1HB LYS 41 -6.729 -12.619 3.469 317 HG2 LYS 41 2HG LYS 41 -8.363 -14.150 4.538 318 HG3 LYS 41 1HG LYS 41 -7.412 -15.527 3.979 319 HD2 LYS 41 2HD LYS 41 -5.448 -14.621 5.238 320 HD3 LYS 41 1HD LYS 41 -6.493 -13.354 5.882 321 HE2 LYS 41 2HE LYS 41 -6.192 -15.395 7.379 322 HE3 LYS 41 1HE LYS 41 -7.862 -14.942 7.036 323 HZ1 LYS 41 1HZ LYS 41 -7.477 -17.328 6.774 324 HZ2 LYS 41 2HZ LYS 41 -6.318 -17.014 5.572 325 HZ3 LYS 41 3HZ LYS 41 -7.947 -16.607 5.313 326 H LYS 42 H LYS 42 -8.305 -11.256 1.892 327 HA LYS 42 HA LYS 42 -11.030 -11.620 3.034 328 HB2 LYS 42 2HB LYS 42 -9.438 -9.946 4.064 329 HB3 LYS 42 1HB LYS 42 -9.501 -9.046 2.549 330 HG2 LYS 42 2HG LYS 42 -11.878 -8.681 2.786 331 HG3 LYS 42 1HG LYS 42 -11.951 -9.755 4.184 332 HD2 LYS 42 2HD LYS 42 -11.927 -7.447 4.965 333 HD3 LYS 42 1HD LYS 42 -10.398 -8.214 5.394 334 HE2 LYS 42 2HE LYS 42 -9.218 -7.093 3.678 335 HE3 LYS 42 1HE LYS 42 -10.700 -6.666 2.821 336 HZ1 LYS 42 1HZ LYS 42 -9.355 -5.255 4.877 337 HZ2 LYS 42 2HZ LYS 42 -10.947 -5.602 5.353 338 HZ3 LYS 42 3HZ LYS 42 -10.656 -4.754 3.911 339 H GLU 43 H GLU 43 -12.828 -11.172 1.749 340 HA GLU 43 HA GLU 43 -12.445 -11.067 -1.101 341 HB2 GLU 43 2HB GLU 43 -14.921 -10.603 0.561 342 HB3 GLU 43 1HB GLU 43 -14.913 -10.803 -1.190 343 HG2 GLU 43 2HG GLU 43 -13.830 -13.033 -0.888 344 HG3 GLU 43 1HG GLU 43 -13.984 -12.837 0.858 345 H ARG 44 H ARG 44 -12.056 -9.320 -2.337 346 HA ARG 44 HA ARG 44 -12.321 -6.617 -1.166 347 HB2 ARG 44 2HB ARG 44 -11.259 -7.537 -3.860 348 HB3 ARG 44 1HB ARG 44 -11.174 -5.888 -3.235 349 HG2 ARG 44 2HG ARG 44 -9.926 -6.802 -1.237 350 HG3 ARG 44 1HG ARG 44 -9.854 -8.352 -2.069 351 HD2 ARG 44 2HD ARG 44 -8.744 -7.183 -4.002 352 HD3 ARG 44 1HD ARG 44 -8.678 -5.727 -3.009 353 HE ARG 44 HE ARG 44 -7.451 -8.199 -1.917 354 HH11 ARG 44 1HH1 ARG 44 -5.307 -7.942 -1.287 355 HH12 ARG 44 2HH1 ARG 44 -4.464 -6.481 -1.687 356 HH21 ARG 44 1HH2 ARG 44 -7.161 -5.045 -3.315 357 HH22 ARG 44 2HH2 ARG 44 -5.513 -4.848 -2.830 358 H ALA 45 H ALA 45 -13.813 -5.094 -1.915 359 HA ALA 45 HA ALA 45 -15.897 -6.157 -3.785 360 HB1 ALA 45 1HB ALA 45 -17.084 -4.081 -2.418 361 HB2 ALA 45 2HB ALA 45 -16.027 -4.783 -1.192 362 HB3 ALA 45 3HB ALA 45 -17.236 -5.786 -1.994 363 H GLY 46 H GLY 46 -14.314 -3.135 -2.724 364 HA2 GLY 46 2HA GLY 46 -14.223 -2.197 -5.499 365 HA3 GLY 46 1HA GLY 46 -15.315 -1.280 -4.466 366 H LEU 47 H LEU 47 -13.341 0.216 -5.410 367 HA LEU 47 HA LEU 47 -11.727 0.755 -3.017 368 HB2 LEU 47 2HB LEU 47 -9.717 0.950 -4.837 369 HB3 LEU 47 1HB LEU 47 -9.981 -0.469 -3.822 370 HG LEU 47 HG LEU 47 -11.361 -1.482 -5.622 371 HD11 LEU 47 1HD1 LEU 47 -11.085 -0.328 -7.916 372 HD12 LEU 47 2HD1 LEU 47 -10.651 1.114 -7.000 373 HD13 LEU 47 3HD1 LEU 47 -12.245 0.388 -6.800 374 HD21 LEU 47 1HD2 LEU 47 -8.655 -0.526 -6.575 375 HD22 LEU 47 2HD2 LEU 47 -9.504 -1.961 -7.141 376 HD23 LEU 47 3HD2 LEU 47 -8.907 -1.879 -5.483 377 H ALA 48 H ALA 48 -11.482 2.945 -2.799 378 HA ALA 48 HA ALA 48 -12.249 4.614 -5.141 379 HB1 ALA 48 1HB ALA 48 -12.086 6.389 -3.098 380 HB2 ALA 48 2HB ALA 48 -12.474 4.925 -2.197 381 HB3 ALA 48 3HB ALA 48 -13.555 5.487 -3.468 382 H PHE 49 H PHE 49 -10.710 5.833 -6.144 383 HA PHE 49 HA PHE 49 -8.144 6.287 -4.702 384 HB2 PHE 49 2HB PHE 49 -8.624 4.676 -7.106 385 HB3 PHE 49 1HB PHE 49 -7.342 5.874 -7.291 386 HD1 PHE 49 1HD PHE 49 -8.441 2.872 -5.475 387 HD2 PHE 49 2HD PHE 49 -5.330 5.793 -5.917 388 HE1 PHE 49 1HE PHE 49 -6.891 1.417 -4.202 389 HE2 PHE 49 2HE PHE 49 -3.777 4.340 -4.649 390 HZ PHE 49 HZ PHE 49 -4.556 2.151 -3.801 391 H GLU 50 H GLU 50 -7.647 8.403 -4.782 392 HA GLU 50 HA GLU 50 -8.430 9.933 -7.226 393 HB2 GLU 50 2HB GLU 50 -9.053 10.445 -4.386 394 HB3 GLU 50 1HB GLU 50 -8.515 11.847 -5.309 395 HG2 GLU 50 2HG GLU 50 -11.025 11.373 -5.258 396 HG3 GLU 50 1HG GLU 50 -10.306 11.637 -6.849 397 HA PRO 51 HA PRO 51 -4.070 11.035 -6.836 398 HB2 PRO 51 2HB PRO 51 -3.827 12.694 -8.927 399 HB3 PRO 51 1HB PRO 51 -4.173 10.968 -9.171 400 HG2 PRO 51 2HG PRO 51 -6.033 13.300 -9.261 401 HG3 PRO 51 1HG PRO 51 -5.944 11.888 -10.328 402 HD2 PRO 51 2HD PRO 51 -7.747 12.141 -8.232 403 HD3 PRO 51 1HD PRO 51 -7.222 10.594 -8.937 404 H PHE 52 H PHE 52 -2.891 12.660 -5.784 405 HA PHE 52 HA PHE 52 -3.006 15.369 -5.860 406 HB2 PHE 52 2HB PHE 52 -4.540 15.886 -3.806 407 HB3 PHE 52 1HB PHE 52 -5.258 15.737 -5.399 408 HD1 PHE 52 1HD PHE 52 -7.402 15.357 -4.112 409 HD2 PHE 52 2HD PHE 52 -4.129 12.574 -3.921 410 HE1 PHE 52 1HE PHE 52 -8.920 13.608 -3.225 411 HE2 PHE 52 2HE PHE 52 -5.662 10.834 -3.057 412 HZ PHE 52 HZ PHE 52 -8.032 11.352 -2.696 413 H VAL 53 H VAL 53 -2.356 16.491 -3.740 414 HA VAL 53 HA VAL 53 -0.390 14.772 -2.383 415 HB VAL 53 HB VAL 53 0.729 16.738 -2.421 416 HG11 VAL 53 1HG1 VAL 53 -1.928 18.119 -2.893 417 HG12 VAL 53 2HG1 VAL 53 -0.829 17.544 -4.149 418 HG13 VAL 53 3HG1 VAL 53 -0.338 18.856 -3.080 419 HG21 VAL 53 1HG2 VAL 53 -1.396 17.776 -0.516 420 HG22 VAL 53 2HG2 VAL 53 0.259 18.356 -0.673 421 HG23 VAL 53 3HG2 VAL 53 -0.046 16.745 -0.032 422 H GLY 54 H GLY 54 -0.533 14.193 -0.150 423 HA2 GLY 54 2HA GLY 54 -1.679 13.761 1.880 424 HA3 GLY 54 1HA GLY 54 -2.564 15.272 1.605 425 H GLY 55 H GLY 55 -2.333 12.760 -0.744 426 HA2 GLY 55 2HA GLY 55 -5.150 12.679 -1.175 427 HA3 GLY 55 1HA GLY 55 -3.949 11.625 -1.918 428 H ARG 56 H ARG 56 -6.201 10.343 -1.468 429 HA ARG 56 HA ARG 56 -5.507 8.617 0.849 430 HB2 ARG 56 2HB ARG 56 -8.170 9.997 0.486 431 HB3 ARG 56 1HB ARG 56 -7.911 8.652 1.595 432 HG2 ARG 56 2HG ARG 56 -6.124 9.988 2.717 433 HG3 ARG 56 1HG ARG 56 -6.521 11.345 1.665 434 HD2 ARG 56 2HD ARG 56 -8.900 11.183 2.518 435 HD3 ARG 56 1HD ARG 56 -8.314 10.028 3.715 436 HE ARG 56 HE ARG 56 -7.362 11.833 4.900 437 HH11 ARG 56 1HH1 ARG 56 -6.870 14.022 5.182 438 HH12 ARG 56 2HH1 ARG 56 -7.033 15.112 3.845 439 HH21 ARG 56 1HH2 ARG 56 -8.107 12.663 1.637 440 HH22 ARG 56 2HH2 ARG 56 -7.734 14.342 1.839 441 H TYR 57 H TYR 57 -5.994 6.492 0.499 442 HA TYR 57 HA TYR 57 -7.632 5.817 -1.913 443 HB2 TYR 57 2HB TYR 57 -5.351 4.164 -0.798 444 HB3 TYR 57 1HB TYR 57 -6.224 3.894 -2.298 445 HD1 TYR 57 1HD TYR 57 -6.318 6.687 -3.421 446 HD2 TYR 57 2HD TYR 57 -3.144 4.540 -1.474 447 HE1 TYR 57 1HE TYR 57 -4.656 8.067 -4.616 448 HE2 TYR 57 2HE TYR 57 -1.479 5.926 -2.676 449 HH TYR 57 HH TYR 57 -1.190 7.397 -4.366 450 H TYR 58 H TYR 58 -9.260 4.298 -1.561 451 HA TYR 58 HA TYR 58 -9.387 3.115 1.190 452 HB2 TYR 58 2HB TYR 58 -11.878 3.807 -0.317 453 HB3 TYR 58 1HB TYR 58 -11.618 3.685 1.420 454 HD1 TYR 58 1HD TYR 58 -11.450 5.637 2.652 455 HD2 TYR 58 2HD TYR 58 -10.414 5.712 -1.519 456 HE1 TYR 58 1HE TYR 58 -11.101 8.087 2.781 457 HE2 TYR 58 2HE TYR 58 -10.060 8.157 -1.387 458 HH TYR 58 HH TYR 58 -11.178 10.069 0.458 459 H GLU 59 H GLU 59 -10.472 1.094 1.357 460 HA GLU 59 HA GLU 59 -10.849 -0.373 -1.231 461 HB2 GLU 59 2HB GLU 59 -8.791 -1.084 -0.003 462 HB3 GLU 59 1HB GLU 59 -9.797 -1.503 1.384 463 HG2 GLU 59 2HG GLU 59 -11.067 -3.085 -0.065 464 HG3 GLU 59 1HG GLU 59 -9.959 -2.717 -1.389 465 H TRP 60 H TRP 60 -12.665 -1.713 -1.315 466 HA TRP 60 HA TRP 60 -14.606 -1.352 0.925 467 HB2 TRP 60 2HB TRP 60 -14.806 -1.471 -1.996 468 HB3 TRP 60 1HB TRP 60 -15.982 -2.498 -1.184 469 HD1 TRP 60 HD TRP 60 -17.120 -1.035 1.084 470 HE1 TRP 60 1HE TRP 60 -18.213 1.297 0.897 471 HE3 TRP 60 3HE TRP 60 -14.987 0.595 -3.259 472 HZ2 TRP 60 2HZ TRP 60 -18.171 3.563 -0.866 473 HZ3 TRP 60 3HZ TRP 60 -15.524 2.834 -4.168 474 HH2 TRP 60 HH TRP 60 -17.110 4.317 -2.979 475 H ASP 61 H ASP 61 -15.192 -3.128 2.101 476 HA ASP 61 HA ASP 61 -14.410 -5.820 1.007 477 HB2 ASP 61 2HB ASP 61 -14.683 -5.030 3.917 478 HB3 ASP 61 1HB ASP 61 -14.086 -6.563 3.293 479 H ILE 62 H ILE 62 -16.039 -7.414 1.082 480 HA ILE 62 HA ILE 62 -18.726 -6.626 0.964 481 HB ILE 62 HB ILE 62 -19.220 -9.088 1.437 482 HG12 ILE 62 2HG1 ILE 62 -17.102 -10.514 1.196 483 HG13 ILE 62 1HG1 ILE 62 -16.217 -9.074 1.664 484 HG21 ILE 62 1HG2 ILE 62 -18.999 -8.250 -0.824 485 HG22 ILE 62 2HG2 ILE 62 -18.164 -9.799 -0.711 486 HG23 ILE 62 3HG2 ILE 62 -17.240 -8.297 -0.704 487 HD11 ILE 62 1HD1 ILE 62 -16.734 -9.368 3.835 488 HD12 ILE 62 2HD1 ILE 62 -17.357 -10.952 3.385 489 HD13 ILE 62 3HD1 ILE 62 -18.445 -9.571 3.469 490 H ASP 63 H ASP 63 -16.794 -7.483 3.770 491 HA ASP 63 HA ASP 63 -19.214 -7.154 5.487 492 HB2 ASP 63 2HB ASP 63 -17.788 -8.096 7.289 493 HB3 ASP 63 1HB ASP 63 -17.948 -9.198 5.922 494 H GLY 64 H GLY 64 -16.165 -5.748 4.614 495 HA2 GLY 64 2HA GLY 64 -16.442 -3.746 6.793 496 HA3 GLY 64 1HA GLY 64 -14.973 -4.007 5.855 497 H THR 65 H THR 65 -17.280 -1.837 6.299 498 HA THR 65 HA THR 65 -18.308 -1.119 3.770 499 HB THR 65 HB THR 65 -17.413 0.889 5.813 500 HG1 THR 65 1HG THR 65 -19.500 0.314 6.825 501 HG21 THR 65 1HG2 THR 65 -20.157 0.937 4.787 502 HG22 THR 65 2HG2 THR 65 -18.945 1.048 3.512 503 HG23 THR 65 3HG2 THR 65 -18.954 2.224 4.827 504 H GLU 66 H GLU 66 -17.219 1.648 3.788 505 HA GLU 66 HA GLU 66 -14.781 1.101 2.186 506 HB2 GLU 66 2HB GLU 66 -16.771 2.680 1.495 507 HB3 GLU 66 1HB GLU 66 -15.999 3.819 2.582 508 HG2 GLU 66 2HG GLU 66 -13.872 3.501 1.339 509 HG3 GLU 66 1HG GLU 66 -14.736 2.485 0.189 510 H ILE 67 H ILE 67 -12.796 1.545 3.058 511 HA ILE 67 HA ILE 67 -12.652 3.464 5.329 512 HB ILE 67 HB ILE 67 -12.860 1.035 6.111 513 HG12 ILE 67 2HG1 ILE 67 -10.839 1.298 7.677 514 HG13 ILE 67 1HG1 ILE 67 -10.518 2.797 6.813 515 HG21 ILE 67 1HG2 ILE 67 -9.974 0.685 5.542 516 HG22 ILE 67 2HG2 ILE 67 -11.055 0.522 4.157 517 HG23 ILE 67 3HG2 ILE 67 -11.270 -0.510 5.569 518 HD11 ILE 67 1HD1 ILE 67 -11.957 2.893 8.983 519 HD12 ILE 67 2HD1 ILE 67 -13.249 2.260 7.963 520 HD13 ILE 67 3HD1 ILE 67 -12.497 3.807 7.576 521 H VAL 68 H VAL 68 -10.538 4.409 5.598 522 HA VAL 68 HA VAL 68 -8.888 4.225 3.128 523 HB VAL 68 HB VAL 68 -9.659 6.474 3.955 524 HG11 VAL 68 1HG1 VAL 68 -7.628 6.217 6.151 525 HG12 VAL 68 2HG1 VAL 68 -9.269 5.629 6.419 526 HG13 VAL 68 3HG1 VAL 68 -8.994 7.325 6.022 527 HG21 VAL 68 1HG2 VAL 68 -7.535 7.556 3.596 528 HG22 VAL 68 2HG2 VAL 68 -7.539 6.093 2.612 529 HG23 VAL 68 3HG2 VAL 68 -6.653 6.128 4.137 530 H TRP 69 H TRP 69 -7.048 3.043 3.203 531 HA TRP 69 HA TRP 69 -5.947 2.360 5.899 532 HB2 TRP 69 2HB TRP 69 -4.773 0.603 4.138 533 HB3 TRP 69 1HB TRP 69 -6.210 0.264 5.103 534 HD1 TRP 69 HD TRP 69 -8.495 0.108 3.897 535 HE1 TRP 69 1HE TRP 69 -9.205 0.154 1.424 536 HE3 TRP 69 3HE TRP 69 -4.148 1.716 1.764 537 HZ2 TRP 69 2HZ TRP 69 -8.072 0.777 -1.131 538 HZ3 TRP 69 3HZ TRP 69 -3.990 2.026 -0.689 539 HH2 TRP 69 HH TRP 69 -5.950 1.559 -2.133 540 H GLY 70 H GLY 70 -5.319 4.499 3.492 541 HA2 GLY 70 2HA GLY 70 -2.496 4.652 4.281 542 HA3 GLY 70 1HA GLY 70 -2.757 4.267 2.583 543 H ARG 71 H ARG 71 -1.436 6.497 2.867 544 HA ARG 71 HA ARG 71 -3.364 8.602 2.104 545 HB2 ARG 71 2HB ARG 71 -2.513 8.610 4.687 546 HB3 ARG 71 1HB ARG 71 -1.213 9.522 3.927 547 HG2 ARG 71 2HG ARG 71 -2.980 10.960 2.829 548 HG3 ARG 71 1HG ARG 71 -4.167 10.152 3.851 549 HD2 ARG 71 2HD ARG 71 -2.862 10.861 5.860 550 HD3 ARG 71 1HD ARG 71 -1.780 11.762 4.799 551 HE ARG 71 HE ARG 71 -4.421 12.614 4.230 552 HH11 ARG 71 1HH1 ARG 71 -5.190 14.528 5.151 553 HH12 ARG 71 2HH1 ARG 71 -4.434 15.151 6.579 554 HH21 ARG 71 1HH2 ARG 71 -2.113 12.584 6.790 555 HH22 ARG 71 2HH2 ARG 71 -2.691 14.051 7.507 556 H ILE 72 H ILE 72 -1.791 10.643 1.546 557 HA ILE 72 HA ILE 72 0.624 9.581 0.183 558 HB ILE 72 HB ILE 72 -1.569 11.271 -1.027 559 HG12 ILE 72 2HG1 ILE 72 -1.149 9.461 -2.864 560 HG13 ILE 72 1HG1 ILE 72 -0.348 8.567 -1.573 561 HG21 ILE 72 1HG2 ILE 72 1.280 10.841 -1.938 562 HG22 ILE 72 2HG2 ILE 72 0.457 12.376 -1.653 563 HG23 ILE 72 3HG2 ILE 72 -0.004 11.369 -3.026 564 HD11 ILE 72 1HD1 ILE 72 -3.198 8.975 -2.046 565 HD12 ILE 72 2HD1 ILE 72 -2.733 9.437 -0.412 566 HD13 ILE 72 3HD1 ILE 72 -2.395 7.812 -0.992 567 H LEU 73 H LEU 73 2.168 11.399 -0.381 568 HA LEU 73 HA LEU 73 1.907 13.625 1.603 569 HB2 LEU 73 2HB LEU 73 4.248 12.016 0.639 570 HB3 LEU 73 1HB LEU 73 4.504 13.657 1.228 571 HG LEU 73 HG LEU 73 2.823 11.801 2.871 572 HD11 LEU 73 1HD1 LEU 73 4.947 10.577 2.211 573 HD12 LEU 73 2HD1 LEU 73 4.744 10.832 3.944 574 HD13 LEU 73 3HD1 LEU 73 5.847 11.856 3.024 575 HD21 LEU 73 1HD2 LEU 73 3.265 13.323 4.538 576 HD22 LEU 73 2HD2 LEU 73 3.556 14.389 3.166 577 HD23 LEU 73 3HD2 LEU 73 4.911 13.609 3.979 578 H GLU 74 H GLU 74 3.329 12.807 -1.551 579 HA GLU 74 HA GLU 74 2.285 15.127 -2.869 580 HB2 GLU 74 2HB GLU 74 3.997 16.236 -1.403 581 HB3 GLU 74 1HB GLU 74 5.241 15.262 -2.194 582 HG2 GLU 74 2HG GLU 74 4.549 16.222 -4.388 583 HG3 GLU 74 1HG GLU 74 3.396 17.256 -3.543 584 H TRP 75 H TRP 75 2.870 15.091 -5.138 585 HA TRP 75 HA TRP 75 4.127 12.512 -5.935 586 HB2 TRP 75 2HB TRP 75 2.899 12.737 -8.026 587 HB3 TRP 75 1HB TRP 75 1.781 12.939 -6.674 588 HD1 TRP 75 HD TRP 75 1.033 15.468 -6.074 589 HE1 TRP 75 1HE TRP 75 0.835 17.555 -7.574 590 HE3 TRP 75 3HE TRP 75 3.857 13.964 -10.055 591 HZ2 TRP 75 2HZ TRP 75 1.753 18.467 -10.126 592 HZ3 TRP 75 3HZ TRP 75 4.179 15.460 -12.005 593 HH2 TRP 75 HH TRP 75 3.130 17.706 -12.045 594 H ASP 76 H ASP 76 6.171 12.658 -6.694 595 HA ASP 76 HA ASP 76 7.081 15.257 -7.814 596 HB2 ASP 76 2HB ASP 76 8.296 13.497 -6.017 597 HB3 ASP 76 1HB ASP 76 9.139 13.210 -7.541 598 HA PRO 77 HA PRO 77 6.403 13.856 -12.005 599 HB2 PRO 77 2HB PRO 77 9.253 14.806 -12.216 600 HB3 PRO 77 1HB PRO 77 7.914 15.029 -13.362 601 HG2 PRO 77 2HG PRO 77 8.626 16.938 -11.617 602 HG3 PRO 77 1HG PRO 77 6.947 16.692 -12.124 603 HD2 PRO 77 2HD PRO 77 8.153 16.225 -9.496 604 HD3 PRO 77 1HD PRO 77 6.430 16.263 -9.938 605 HA PRO 78 HA PRO 78 7.597 9.658 -12.539 606 HB2 PRO 78 2HB PRO 78 9.119 10.677 -14.920 607 HB3 PRO 78 1HB PRO 78 8.053 9.264 -14.788 608 HG2 PRO 78 2HG PRO 78 7.272 11.663 -15.818 609 HG3 PRO 78 1HG PRO 78 6.172 10.492 -15.078 610 HD2 PRO 78 2HD PRO 78 6.880 13.129 -14.110 611 HD3 PRO 78 1HD PRO 78 5.726 11.976 -13.405 612 H HIS 79 H HIS 79 9.030 10.094 -10.567 613 HA HIS 79 HA HIS 79 11.651 9.062 -11.034 614 HB2 HIS 79 2HB HIS 79 11.718 11.616 -11.760 615 HB3 HIS 79 1HB HIS 79 11.858 11.869 -10.019 616 HD1 HIS 79 1HD HIS 79 13.525 9.322 -9.344 617 HD2 HIS 79 2HD HIS 79 14.420 11.956 -12.453 618 HE1 HIS 79 1HE HIS 79 15.991 9.028 -9.844 619 HE2 HIS 79 2HE HIS 79 16.547 10.630 -11.733 620 H ARG 80 H ARG 80 9.681 11.094 -8.801 621 HA ARG 80 HA ARG 80 10.449 9.174 -6.668 622 HB2 ARG 80 2HB ARG 80 12.119 10.962 -6.508 623 HB3 ARG 80 1HB ARG 80 10.833 12.168 -6.420 624 HG2 ARG 80 2HG ARG 80 10.047 11.273 -4.322 625 HG3 ARG 80 1HG ARG 80 11.143 9.894 -4.446 626 HD2 ARG 80 2HD ARG 80 12.164 11.474 -2.947 627 HD3 ARG 80 1HD ARG 80 13.060 11.540 -4.461 628 HE ARG 80 HE ARG 80 12.213 13.731 -4.826 629 HH11 ARG 80 1HH1 ARG 80 11.158 15.588 -4.086 630 HH12 ARG 80 2HH1 ARG 80 10.132 15.488 -2.694 631 HH21 ARG 80 1HH2 ARG 80 10.672 12.097 -2.210 632 HH22 ARG 80 2HH2 ARG 80 9.856 13.512 -1.633 633 H LEU 81 H LEU 81 8.864 8.844 -5.168 634 HA LEU 81 HA LEU 81 6.590 10.751 -5.063 635 HB2 LEU 81 2HB LEU 81 6.386 7.784 -5.564 636 HB3 LEU 81 1HB LEU 81 5.028 8.750 -4.992 637 HG LEU 81 HG LEU 81 6.194 10.118 -7.201 638 HD11 LEU 81 1HD1 LEU 81 7.184 7.966 -7.822 639 HD12 LEU 81 2HD1 LEU 81 5.914 8.418 -8.959 640 HD13 LEU 81 3HD1 LEU 81 5.600 7.201 -7.722 641 HD21 LEU 81 1HD2 LEU 81 3.803 10.096 -6.376 642 HD22 LEU 81 2HD2 LEU 81 3.638 8.499 -7.105 643 HD23 LEU 81 3HD2 LEU 81 3.973 9.901 -8.120 644 H ALA 82 H ALA 82 6.119 11.202 -2.988 645 HA ALA 82 HA ALA 82 7.044 9.289 -0.874 646 HB1 ALA 82 1HB ALA 82 7.996 11.672 -0.908 647 HB2 ALA 82 2HB ALA 82 7.262 11.159 0.610 648 HB3 ALA 82 3HB ALA 82 6.374 12.219 -0.485 649 H MET 83 H MET 83 5.459 8.746 0.800 650 HA MET 83 HA MET 83 2.786 9.927 0.419 651 HB2 MET 83 2HB MET 83 2.105 7.270 0.595 652 HB3 MET 83 1HB MET 83 2.123 8.214 -0.892 653 HG2 MET 83 2HG MET 83 4.478 7.546 -1.279 654 HG3 MET 83 1HG MET 83 4.435 6.578 0.197 655 HE1 MET 83 1HE MET 83 2.769 5.024 0.751 656 HE2 MET 83 2HE MET 83 2.182 3.759 -0.325 657 HE3 MET 83 3HE MET 83 1.241 5.233 -0.115 658 H THR 84 H THR 84 1.476 9.863 2.229 659 HA THR 84 HA THR 84 2.757 8.792 4.699 660 HB THR 84 HB THR 84 0.613 10.868 4.208 661 HG1 THR 84 1HG THR 84 2.625 11.274 6.016 662 HG21 THR 84 1HG2 THR 84 1.302 9.407 6.763 663 HG22 THR 84 2HG2 THR 84 -0.285 9.588 6.015 664 HG23 THR 84 3HG2 THR 84 0.507 10.981 6.753 665 H TRP 85 H TRP 85 1.269 7.574 6.203 666 HA TRP 85 HA TRP 85 -0.796 6.113 4.605 667 HB2 TRP 85 2HB TRP 85 1.248 5.227 6.567 668 HB3 TRP 85 1HB TRP 85 -0.319 4.415 6.638 669 HD1 TRP 85 HD TRP 85 1.446 5.713 3.469 670 HE1 TRP 85 1HE TRP 85 1.809 3.723 1.871 671 HE3 TRP 85 3HE TRP 85 -0.218 1.894 6.424 672 HZ2 TRP 85 2HZ TRP 85 1.441 0.887 1.849 673 HZ3 TRP 85 3HZ TRP 85 -0.201 -0.439 5.590 674 HH2 TRP 85 HH TRP 85 0.626 -0.947 3.309 675 H ARG 86 H ARG 86 -2.872 6.403 5.241 676 HA ARG 86 HA ARG 86 -3.357 7.265 8.074 677 HB2 ARG 86 2HB ARG 86 -4.005 8.953 6.358 678 HB3 ARG 86 1HB ARG 86 -5.084 7.767 5.628 679 HG2 ARG 86 2HG ARG 86 -6.316 7.596 7.777 680 HG3 ARG 86 1HG ARG 86 -5.263 8.836 8.460 681 HD2 ARG 86 2HD ARG 86 -5.992 10.387 6.631 682 HD3 ARG 86 1HD ARG 86 -7.140 9.158 6.101 683 HE ARG 86 HE ARG 86 -7.800 9.459 8.741 684 HH11 ARG 86 1HH1 ARG 86 -9.223 11.032 9.525 685 HH12 ARG 86 2HH1 ARG 86 -9.432 12.508 8.643 686 HH21 ARG 86 1HH2 ARG 86 -7.197 11.639 6.139 687 HH22 ARG 86 2HH2 ARG 86 -8.284 12.852 6.726 688 H ILE 87 H ILE 87 -3.879 5.364 9.116 689 HA ILE 87 HA ILE 87 -6.151 3.815 7.976 690 HB ILE 87 HB ILE 87 -3.932 2.712 7.455 691 HG12 ILE 87 2HG1 ILE 87 -5.379 0.936 9.384 692 HG13 ILE 87 1HG1 ILE 87 -6.281 1.564 8.006 693 HG21 ILE 87 1HG2 ILE 87 -3.840 2.009 10.380 694 HG22 ILE 87 2HG2 ILE 87 -3.044 3.467 9.789 695 HG23 ILE 87 3HG2 ILE 87 -2.562 1.887 9.171 696 HD11 ILE 87 1HD1 ILE 87 -5.282 -0.569 7.380 697 HD12 ILE 87 2HD1 ILE 87 -3.690 -0.007 7.895 698 HD13 ILE 87 3HD1 ILE 87 -4.470 0.721 6.497 699 H ASP 88 H ASP 88 -7.389 2.668 9.598 700 HA ASP 88 HA ASP 88 -7.079 3.869 12.302 701 HB2 ASP 88 2HB ASP 88 -9.393 2.323 11.126 702 HB3 ASP 88 1HB ASP 88 -9.380 3.131 12.689 703 H GLY 89 H GLY 89 -7.392 2.422 14.173 704 HA2 GLY 89 2HA GLY 89 -5.725 0.097 14.022 705 HA3 GLY 89 1HA GLY 89 -6.729 0.536 15.403 706 H HIS 90 H HIS 90 -9.271 0.446 14.238 707 HA HIS 90 HA HIS 90 -9.502 -2.472 13.625 708 HB2 HIS 90 2HB HIS 90 -10.891 -0.704 15.458 709 HB3 HIS 90 1HB HIS 90 -12.032 -1.481 14.363 710 HD1 HIS 90 1HD HIS 90 -10.391 -2.078 17.476 711 HD2 HIS 90 2HD HIS 90 -11.346 -4.467 14.194 712 HE1 HIS 90 1HE HIS 90 -10.309 -4.478 18.289 713 HE2 HIS 90 2HE HIS 90 -10.889 -5.941 16.300 714 H TRP 91 H TRP 91 -8.995 -0.404 11.599 715 HA TRP 91 HA TRP 91 -9.813 0.239 9.490 716 HB2 TRP 91 2HB TRP 91 -11.682 -2.103 9.998 717 HB3 TRP 91 1HB TRP 91 -11.477 -1.292 8.453 718 HD1 TRP 91 HD TRP 91 -9.141 -1.587 7.199 719 HE1 TRP 91 1HE TRP 91 -7.361 -3.440 7.354 720 HE3 TRP 91 3HE TRP 91 -10.489 -3.755 11.613 721 HZ2 TRP 91 2HZ TRP 91 -6.613 -5.580 9.125 722 HZ3 TRP 91 3HZ TRP 91 -9.243 -5.691 12.510 723 HH2 TRP 91 HH TRP 91 -7.302 -6.604 11.271 724 H GLN 92 H GLN 92 -11.025 1.241 12.060 725 HA GLN 92 HA GLN 92 -12.922 3.039 11.050 726 HB2 GLN 92 2HB GLN 92 -14.977 1.978 12.289 727 HB3 GLN 92 1HB GLN 92 -14.594 1.462 10.648 728 HG2 GLN 92 2HG GLN 92 -13.721 -0.564 11.340 729 HG3 GLN 92 1HG GLN 92 -13.337 0.025 12.962 730 HE21 GLN 92 1HE2 GLN 92 -14.742 -2.373 12.806 731 HE22 GLN 92 2HE2 GLN 92 -16.361 -2.140 13.258 732 H SER 93 H SER 93 -10.812 2.250 13.159 733 HA SER 93 HA SER 93 -11.842 2.543 15.767 734 HB2 SER 93 2HB SER 93 -9.440 2.029 14.989 735 HB3 SER 93 1HB SER 93 -9.238 3.776 14.873 736 HG SER 93 HG SER 93 -8.630 2.984 16.930 737 H VAL 94 H VAL 94 -10.392 5.164 13.783 738 HA VAL 94 HA VAL 94 -12.408 7.026 14.903 739 HB VAL 94 HB VAL 94 -10.393 8.651 15.299 740 HG11 VAL 94 1HG1 VAL 94 -10.920 6.281 17.118 741 HG12 VAL 94 2HG1 VAL 94 -11.845 7.781 17.085 742 HG13 VAL 94 3HG1 VAL 94 -10.163 7.794 17.613 743 HG21 VAL 94 1HG2 VAL 94 -8.279 7.760 15.467 744 HG22 VAL 94 2HG2 VAL 94 -8.929 6.631 14.278 745 HG23 VAL 94 3HG2 VAL 94 -8.874 6.181 15.983 746 HA PRO 95 HA PRO 95 -12.333 8.719 10.823 747 HB2 PRO 95 2HB PRO 95 -12.478 11.445 11.424 748 HB3 PRO 95 1HB PRO 95 -13.863 10.348 11.292 749 HG2 PRO 95 2HG PRO 95 -12.469 11.353 13.707 750 HG3 PRO 95 1HG PRO 95 -14.180 10.968 13.463 751 HD2 PRO 95 2HD PRO 95 -12.511 9.329 14.846 752 HD3 PRO 95 1HD PRO 95 -13.874 8.707 13.889 753 H ASP 96 H ASP 96 -10.223 10.307 13.193 754 HA ASP 96 HA ASP 96 -8.266 10.853 11.001 755 HB2 ASP 96 2HB ASP 96 -8.569 12.103 13.738 756 HB3 ASP 96 1HB ASP 96 -7.246 12.460 12.628 757 H ASP 97 H ASP 97 -6.106 10.112 11.288 758 HA ASP 97 HA ASP 97 -5.819 8.029 13.392 759 HB2 ASP 97 2HB ASP 97 -4.385 8.456 10.762 760 HB3 ASP 97 1HB ASP 97 -3.983 7.195 11.927 761 H ASP 98 H ASP 98 -4.640 8.646 15.114 762 HA ASP 98 HA ASP 98 -2.726 10.871 14.872 763 HB2 ASP 98 2HB ASP 98 -3.704 9.247 17.228 764 HB3 ASP 98 1HB ASP 98 -2.522 10.545 17.357 765 H ARG 99 H ARG 99 -2.779 7.540 14.559 766 HA ARG 99 HA ARG 99 0.055 7.222 15.382 767 HB2 ARG 99 2HB ARG 99 -1.357 4.828 14.465 768 HB3 ARG 99 1HB ARG 99 -0.500 5.113 15.980 769 HG2 ARG 99 2HG ARG 99 -2.469 6.445 16.780 770 HG3 ARG 99 1HG ARG 99 -3.331 5.964 15.317 771 HD2 ARG 99 2HD ARG 99 -2.884 3.555 15.966 772 HD3 ARG 99 1HD ARG 99 -2.293 4.158 17.516 773 HE ARG 99 HE ARG 99 -4.798 5.320 17.260 774 HH11 ARG 99 1HH1 ARG 99 -6.673 4.335 18.047 775 HH12 ARG 99 2HH1 ARG 99 -6.716 2.615 18.240 776 HH21 ARG 99 1HH2 ARG 99 -3.474 2.141 17.103 777 HH22 ARG 99 2HH2 ARG 99 -4.905 1.372 17.705 778 H ALA 100 H ALA 100 -0.787 8.610 12.925 779 HA ALA 100 HA ALA 100 -0.220 6.708 10.754 780 HB1 ALA 100 1HB ALA 100 -0.502 9.722 10.598 781 HB2 ALA 100 2HB ALA 100 -1.865 8.606 10.524 782 HB3 ALA 100 3HB ALA 100 -0.629 8.571 9.267 783 H SER 101 H SER 101 1.656 6.726 9.491 784 HA SER 101 HA SER 101 3.938 8.338 10.562 785 HB2 SER 101 2HB SER 101 5.404 6.456 10.115 786 HB3 SER 101 1HB SER 101 4.068 5.892 11.114 787 HG SER 101 HG SER 101 3.518 4.615 9.547 788 H GLU 102 H GLU 102 5.750 8.475 8.832 789 HA GLU 102 HA GLU 102 4.445 9.042 6.208 790 HB2 GLU 102 2HB GLU 102 7.008 10.150 7.388 791 HB3 GLU 102 1HB GLU 102 6.323 10.601 5.827 792 HG2 GLU 102 2HG GLU 102 4.261 11.375 6.986 793 HG3 GLU 102 1HG GLU 102 5.015 10.996 8.534 794 H ILE 103 H ILE 103 5.307 8.174 4.330 795 HA ILE 103 HA ILE 103 7.570 6.247 4.684 796 HB ILE 103 HB ILE 103 5.228 6.038 2.765 797 HG12 ILE 103 2HG1 ILE 103 5.823 4.445 5.277 798 HG13 ILE 103 1HG1 ILE 103 4.612 5.725 5.166 799 HG21 ILE 103 1HG2 ILE 103 6.844 3.663 3.413 800 HG22 ILE 103 2HG2 ILE 103 7.733 4.911 2.542 801 HG23 ILE 103 3HG2 ILE 103 6.261 4.233 1.850 802 HD11 ILE 103 1HD1 ILE 103 4.630 3.027 3.832 803 HD12 ILE 103 2HD1 ILE 103 3.705 4.359 3.136 804 HD13 ILE 103 3HD1 ILE 103 3.344 3.789 4.768 805 H GLU 104 H GLU 104 9.189 6.323 3.142 806 HA GLU 104 HA GLU 104 8.946 8.498 1.096 807 HB2 GLU 104 2HB GLU 104 11.434 7.300 2.360 808 HB3 GLU 104 1HB GLU 104 11.417 8.589 1.157 809 HG2 GLU 104 2HG GLU 104 10.075 9.990 2.717 810 HG3 GLU 104 1HG GLU 104 10.194 8.715 3.929 811 H VAL 105 H VAL 105 8.808 7.766 -0.973 812 HA VAL 105 HA VAL 105 10.042 5.129 -1.603 813 HB VAL 105 HB VAL 105 7.400 6.110 -2.695 814 HG11 VAL 105 1HG1 VAL 105 7.195 3.838 -3.540 815 HG12 VAL 105 2HG1 VAL 105 8.691 3.366 -2.733 816 HG13 VAL 105 3HG1 VAL 105 8.737 4.502 -4.081 817 HG21 VAL 105 1HG2 VAL 105 6.704 5.620 -0.565 818 HG22 VAL 105 2HG2 VAL 105 8.110 4.609 -0.230 819 HG23 VAL 105 3HG2 VAL 105 6.765 3.966 -1.171 820 H ASP 106 H ASP 106 11.237 5.105 -3.467 821 HA ASP 106 HA ASP 106 11.083 7.539 -5.207 822 HB2 ASP 106 2HB ASP 106 13.461 5.762 -4.576 823 HB3 ASP 106 1HB ASP 106 13.478 7.092 -5.738 824 H PHE 107 H PHE 107 10.615 7.145 -7.339 825 HA PHE 107 HA PHE 107 10.621 4.299 -8.241 826 HB2 PHE 107 2HB PHE 107 8.920 6.665 -9.067 827 HB3 PHE 107 1HB PHE 107 8.921 5.122 -9.911 828 HD1 PHE 107 1HD PHE 107 8.485 6.572 -6.486 829 HD2 PHE 107 2HD PHE 107 7.498 3.405 -9.214 830 HE1 PHE 107 1HE PHE 107 6.847 5.673 -4.855 831 HE2 PHE 107 2HE PHE 107 5.867 2.504 -7.579 832 HZ PHE 107 HZ PHE 107 5.539 3.638 -5.400 833 H VAL 108 H VAL 108 11.888 3.798 -9.992 834 HA VAL 108 HA VAL 108 13.113 6.070 -11.505 835 HB VAL 108 HB VAL 108 14.495 3.434 -11.232 836 HG11 VAL 108 1HG1 VAL 108 16.472 4.818 -11.505 837 HG12 VAL 108 2HG1 VAL 108 15.510 6.287 -11.340 838 HG13 VAL 108 3HG1 VAL 108 15.305 5.252 -12.754 839 HG21 VAL 108 1HG2 VAL 108 15.617 4.303 -9.179 840 HG22 VAL 108 2HG2 VAL 108 13.896 4.012 -8.928 841 HG23 VAL 108 3HG2 VAL 108 14.486 5.656 -9.166 842 HA PRO 109 HA PRO 109 11.038 3.676 -14.766 843 HB2 PRO 109 2HB PRO 109 11.359 5.454 -16.791 844 HB3 PRO 109 1HB PRO 109 10.152 5.679 -15.512 845 HG2 PRO 109 2HG PRO 109 12.808 6.956 -15.853 846 HG3 PRO 109 1HG PRO 109 11.289 7.646 -15.262 847 HD2 PRO 109 2HD PRO 109 13.363 6.839 -13.621 848 HD3 PRO 109 1HD PRO 109 11.666 6.954 -13.100 849 H ASN 110 H ASN 110 11.923 2.087 -15.933 850 HA ASN 110 HA ASN 110 14.600 2.526 -17.165 851 HB2 ASN 110 2HB ASN 110 14.500 0.863 -15.233 852 HB3 ASN 110 1HB ASN 110 13.497 -0.139 -16.280 853 HD21 ASN 110 1HD2 ASN 110 15.773 -1.409 -15.658 854 HD22 ASN 110 2HD2 ASN 110 16.927 -1.324 -16.899 855 H GLY 111 H GLY 111 14.815 1.782 -19.328 856 HA2 GLY 111 2HA GLY 111 12.381 1.730 -20.863 857 HA3 GLY 111 1HA GLY 111 13.990 1.374 -21.494 858 H SER 112 H SER 112 12.254 -0.217 -22.596 859 HA SER 112 HA SER 112 11.702 -2.476 -22.915 860 HB2 SER 112 2HB SER 112 14.183 -2.552 -21.870 861 HB3 SER 112 1HB SER 112 13.304 -3.356 -20.573 862 HG SER 112 HG SER 112 13.898 -4.901 -22.060 863 H GLY 113 H GLY 113 10.588 -0.643 -20.587 864 HA2 GLY 113 2HA GLY 113 8.701 -0.902 -19.193 865 HA3 GLY 113 1HA GLY 113 8.614 -2.591 -19.706 866 H GLY 114 H GLY 114 10.649 -0.443 -17.687 867 HA2 GLY 114 2HA GLY 114 10.664 -2.535 -15.611 868 HA3 GLY 114 1HA GLY 114 12.228 -2.042 -16.244 869 H THR 115 H THR 115 10.676 -1.681 -13.580 870 HA THR 115 HA THR 115 11.487 1.161 -13.274 871 HB THR 115 HB THR 115 8.808 -0.024 -12.605 872 HG1 THR 115 1HG THR 115 9.779 2.368 -13.762 873 HG21 THR 115 1HG2 THR 115 9.372 0.807 -10.480 874 HG22 THR 115 2HG2 THR 115 8.532 2.161 -11.234 875 HG23 THR 115 3HG2 THR 115 10.293 2.153 -11.150 876 H ARG 116 H ARG 116 12.671 1.490 -11.447 877 HA ARG 116 HA ARG 116 12.893 -0.797 -9.544 878 HB2 ARG 116 2HB ARG 116 14.992 0.081 -10.617 879 HB3 ARG 116 1HB ARG 116 14.691 1.635 -9.835 880 HG2 ARG 116 2HG ARG 116 14.703 0.475 -7.623 881 HG3 ARG 116 1HG ARG 116 15.137 -1.023 -8.446 882 HD2 ARG 116 2HD ARG 116 16.750 1.544 -8.498 883 HD3 ARG 116 1HD ARG 116 17.146 0.103 -7.562 884 HE ARG 116 HE ARG 116 17.587 0.456 -10.418 885 HH11 ARG 116 1HH1 ARG 116 18.513 -1.307 -11.488 886 HH12 ARG 116 2HH1 ARG 116 18.535 -2.858 -10.717 887 HH21 ARG 116 1HH2 ARG 116 16.934 -1.746 -7.848 888 HH22 ARG 116 2HH2 ARG 116 17.640 -3.106 -8.656 889 H VAL 117 H VAL 117 11.954 -0.551 -7.550 890 HA VAL 117 HA VAL 117 11.296 2.241 -6.691 891 HB VAL 117 HB VAL 117 9.642 -0.244 -6.222 892 HG11 VAL 117 1HG1 VAL 117 7.977 1.361 -5.367 893 HG12 VAL 117 2HG1 VAL 117 9.109 2.685 -5.647 894 HG13 VAL 117 3HG1 VAL 117 9.474 1.454 -4.436 895 HG21 VAL 117 1HG2 VAL 117 9.751 1.703 -8.412 896 HG22 VAL 117 2HG2 VAL 117 8.147 1.547 -7.699 897 HG23 VAL 117 3HG2 VAL 117 8.963 0.126 -8.349 898 H GLU 118 H GLU 118 11.771 2.775 -4.630 899 HA GLU 118 HA GLU 118 12.804 0.606 -2.839 900 HB2 GLU 118 2HB GLU 118 13.640 3.533 -2.915 901 HB3 GLU 118 1HB GLU 118 14.306 2.293 -1.855 902 HG2 GLU 118 2HG GLU 118 15.115 1.048 -3.834 903 HG3 GLU 118 1HG GLU 118 14.480 2.315 -4.882 904 H LEU 119 H LEU 119 10.994 0.283 -1.540 905 HA LEU 119 HA LEU 119 9.616 2.713 -0.506 906 HB2 LEU 119 2HB LEU 119 8.278 0.952 -1.716 907 HB3 LEU 119 1HB LEU 119 8.659 -0.155 -0.411 908 HG LEU 119 HG LEU 119 7.543 2.487 0.385 909 HD11 LEU 119 1HD1 LEU 119 5.251 1.806 -0.093 910 HD12 LEU 119 2HD1 LEU 119 5.816 0.284 -0.782 911 HD13 LEU 119 3HD1 LEU 119 6.171 1.806 -1.597 912 HD21 LEU 119 1HD2 LEU 119 7.138 -0.394 1.252 913 HD22 LEU 119 2HD2 LEU 119 6.309 0.981 1.979 914 HD23 LEU 119 3HD2 LEU 119 8.061 0.846 2.101 915 H ALA 120 H ALA 120 9.898 3.270 1.578 916 HA ALA 120 HA ALA 120 10.821 1.177 3.502 917 HB1 ALA 120 1HB ALA 120 12.444 3.192 2.550 918 HB2 ALA 120 2HB ALA 120 12.662 2.366 4.093 919 HB3 ALA 120 3HB ALA 120 11.797 3.901 4.029 920 H HIS 121 H HIS 121 9.651 1.181 5.379 921 HA HIS 121 HA HIS 121 7.824 3.504 5.864 922 HB2 HIS 121 2HB HIS 121 6.174 2.045 6.595 923 HB3 HIS 121 1HB HIS 121 6.965 1.022 5.399 924 HD1 HIS 121 1HD HIS 121 5.715 0.721 8.650 925 HD2 HIS 121 2HD HIS 121 9.363 -0.343 6.935 926 HE1 HIS 121 1HE HIS 121 6.746 -1.021 10.185 927 HE2 HIS 121 2HE HIS 121 8.963 -1.680 9.141 928 H VAL 122 H VAL 122 8.021 4.524 7.860 929 HA VAL 122 HA VAL 122 9.766 3.183 9.877 930 HB VAL 122 HB VAL 122 10.802 5.413 10.335 931 HG11 VAL 122 1HG1 VAL 122 11.228 3.635 8.119 932 HG12 VAL 122 2HG1 VAL 122 12.419 4.570 9.023 933 HG13 VAL 122 3HG1 VAL 122 11.622 5.280 7.618 934 HG21 VAL 122 1HG2 VAL 122 10.240 6.602 7.781 935 HG22 VAL 122 2HG2 VAL 122 9.923 7.259 9.387 936 HG23 VAL 122 3HG2 VAL 122 8.709 6.258 8.588 937 H LYS 123 H LYS 123 9.419 3.763 12.027 938 HA LYS 123 HA LYS 123 8.128 4.316 13.891 939 HB2 LYS 123 2HB LYS 123 7.022 6.587 12.244 940 HB3 LYS 123 1HB LYS 123 7.338 6.539 13.981 941 HG2 LYS 123 2HG LYS 123 9.373 6.604 11.741 942 HG3 LYS 123 1HG LYS 123 9.121 7.814 13.000 943 HD2 LYS 123 2HD LYS 123 9.712 6.011 14.693 944 HD3 LYS 123 1HD LYS 123 10.219 5.009 13.331 945 HE2 LYS 123 2HE LYS 123 12.205 6.096 14.042 946 HE3 LYS 123 1HE LYS 123 11.681 7.002 12.622 947 HZ1 LYS 123 1HZ LYS 123 12.289 8.458 14.468 948 HZ2 LYS 123 2HZ LYS 123 11.094 7.741 15.439 949 HZ3 LYS 123 3HZ LYS 123 10.652 8.628 14.059 950 H LEU 124 H LEU 124 6.977 2.534 11.844 951 HA LEU 124 HA LEU 124 4.158 3.165 11.599 952 HB2 LEU 124 2HB LEU 124 5.613 1.540 10.194 953 HB3 LEU 124 1HB LEU 124 5.304 0.394 11.494 954 HG LEU 124 HG LEU 124 2.825 0.970 11.216 955 HD11 LEU 124 1HD1 LEU 124 3.943 2.817 9.358 956 HD12 LEU 124 2HD1 LEU 124 2.239 2.532 9.707 957 HD13 LEU 124 3HD1 LEU 124 3.040 1.622 8.427 958 HD21 LEU 124 1HD2 LEU 124 3.000 -0.314 8.804 959 HD22 LEU 124 2HD2 LEU 124 3.130 -1.114 10.370 960 HD23 LEU 124 3HD2 LEU 124 4.588 -0.644 9.497 961 H HIS 125 H HIS 125 6.149 1.208 13.751 962 HA HIS 125 HA HIS 125 4.295 -0.173 15.268 963 HB2 HIS 125 2HB HIS 125 6.685 -0.341 15.694 964 HB3 HIS 125 1HB HIS 125 6.716 1.319 16.283 965 HD1 HIS 125 1HD HIS 125 4.584 -1.758 17.081 966 HD2 HIS 125 2HD HIS 125 6.630 1.307 19.035 967 HE1 HIS 125 1HE HIS 125 4.242 -2.136 19.564 968 HE2 HIS 125 2HE HIS 125 5.484 -0.277 20.762 969 H ARG 126 H ARG 126 4.521 3.229 15.000 970 HA ARG 126 HA ARG 126 3.616 4.142 17.478 971 HB2 ARG 126 2HB ARG 126 2.892 5.059 14.701 972 HB3 ARG 126 1HB ARG 126 2.357 5.910 16.148 973 HG2 ARG 126 2HG ARG 126 4.722 6.117 16.867 974 HG3 ARG 126 1HG ARG 126 5.232 5.349 15.368 975 HD2 ARG 126 2HD ARG 126 4.038 7.172 14.109 976 HD3 ARG 126 1HD ARG 126 3.747 7.975 15.652 977 HE ARG 126 HE ARG 126 6.502 7.524 15.581 978 HH11 ARG 126 1HH1 ARG 126 7.930 9.091 14.795 979 HH12 ARG 126 2HH1 ARG 126 7.355 10.293 13.689 980 HH21 ARG 126 1HH2 ARG 126 4.105 9.082 13.653 981 HH22 ARG 126 2HH2 ARG 126 5.189 10.288 13.043 982 H HIS 127 H HIS 127 1.772 2.377 15.022 983 HA HIS 127 HA HIS 127 -0.743 2.890 16.434 984 HB2 HIS 127 2HB HIS 127 -1.646 1.130 14.835 985 HB3 HIS 127 1HB HIS 127 -1.005 2.586 14.092 986 HD1 HIS 127 1HD HIS 127 1.887 0.850 15.152 987 HD2 HIS 127 2HD HIS 127 -0.790 0.300 12.003 988 HE1 HIS 127 1HE HIS 127 3.085 -0.562 13.419 989 HE2 HIS 127 2HE HIS 127 1.464 -0.908 11.506 990 H GLY 128 H GLY 128 1.633 0.291 16.297 991 HA2 GLY 128 2HA GLY 128 1.562 -1.862 17.344 992 HA3 GLY 128 1HA GLY 128 1.463 -0.800 18.748 993 H ASP 129 H ASP 129 0.149 -2.286 19.926 994 HA ASP 129 HA ASP 129 -1.861 -3.316 20.580 995 HB2 ASP 129 2HB ASP 129 -2.918 -0.947 19.008 996 HB3 ASP 129 1HB ASP 129 -3.902 -1.961 20.064 997 H GLY 130 H GLY 130 -0.802 -4.710 18.487 998 HA2 GLY 130 2HA GLY 130 -1.575 -6.383 16.992 999 HA3 GLY 130 1HA GLY 130 -3.211 -5.732 17.170 1000 H ALA 131 H ALA 131 -0.347 -3.894 16.288 1001 HA ALA 131 HA ALA 131 -1.551 -2.466 14.175 1002 HB1 ALA 131 1HB ALA 131 0.430 -1.487 14.762 1003 HB2 ALA 131 2HB ALA 131 1.033 -2.460 13.421 1004 HB3 ALA 131 3HB ALA 131 1.223 -3.029 15.077 1005 H TRP 132 H TRP 132 0.478 -5.428 14.019 1006 HA TRP 132 HA TRP 132 0.436 -5.671 11.195 1007 HB2 TRP 132 2HB TRP 132 1.862 -7.055 12.732 1008 HB3 TRP 132 1HB TRP 132 0.421 -7.983 13.156 1009 HD1 TRP 132 HD TRP 132 -0.688 -9.478 11.252 1010 HE1 TRP 132 1HE TRP 132 0.269 -10.462 9.072 1011 HE3 TRP 132 3HE TRP 132 3.562 -6.651 10.776 1012 HZ2 TRP 132 2HZ TRP 132 2.523 -10.105 7.362 1013 HZ3 TRP 132 3HZ TRP 132 5.087 -7.007 8.862 1014 HH2 TRP 132 HH TRP 132 4.576 -8.730 7.154 1015 H ASN 133 H ASN 133 -1.967 -6.510 13.628 1016 HA ASN 133 HA ASN 133 -3.673 -8.164 12.079 1017 HB2 ASN 133 2HB ASN 133 -3.927 -7.472 14.543 1018 HB3 ASN 133 1HB ASN 133 -4.658 -5.987 13.938 1019 HD21 ASN 133 1HD2 ASN 133 -4.997 -9.563 13.572 1020 HD22 ASN 133 2HD2 ASN 133 -6.684 -9.527 13.386 1021 H ILE 134 H ILE 134 -3.378 -4.650 12.280 1022 HA ILE 134 HA ILE 134 -5.482 -3.949 10.498 1023 HB ILE 134 HB ILE 134 -2.805 -2.588 10.880 1024 HG12 ILE 134 2HG1 ILE 134 -5.408 -2.106 12.356 1025 HG13 ILE 134 1HG1 ILE 134 -4.076 -3.064 13.010 1026 HG21 ILE 134 1HG2 ILE 134 -3.864 -0.627 10.072 1027 HG22 ILE 134 2HG2 ILE 134 -5.466 -1.357 10.189 1028 HG23 ILE 134 3HG2 ILE 134 -4.335 -1.906 8.953 1029 HD11 ILE 134 1HD1 ILE 134 -2.612 -0.983 12.496 1030 HD12 ILE 134 2HD1 ILE 134 -3.684 -0.914 13.893 1031 HD13 ILE 134 3HD1 ILE 134 -4.142 -0.114 12.389 1032 H HIS 135 H HIS 135 -2.049 -4.665 10.014 1033 HA HIS 135 HA HIS 135 -2.010 -4.403 7.164 1034 HB2 HIS 135 2HB HIS 135 0.086 -4.432 8.356 1035 HB3 HIS 135 1HB HIS 135 -0.288 -5.993 9.082 1036 HD1 HIS 135 1HD HIS 135 -1.358 -5.964 5.635 1037 HD2 HIS 135 2HD HIS 135 2.227 -6.710 7.616 1038 HE1 HIS 135 1HE HIS 135 0.104 -7.198 3.986 1039 HE2 HIS 135 2HE HIS 135 2.307 -7.657 5.178 1040 H LYS 136 H LYS 136 -2.914 -7.027 9.342 1041 HA LYS 136 HA LYS 136 -2.898 -9.190 7.551 1042 HB2 LYS 136 2HB LYS 136 -3.544 -9.276 10.003 1043 HB3 LYS 136 1HB LYS 136 -5.117 -8.656 9.527 1044 HG2 LYS 136 2HG LYS 136 -5.406 -10.570 8.006 1045 HG3 LYS 136 1HG LYS 136 -3.854 -11.208 8.537 1046 HD2 LYS 136 2HD LYS 136 -4.729 -11.253 10.882 1047 HD3 LYS 136 1HD LYS 136 -6.305 -10.759 10.260 1048 HE2 LYS 136 2HE LYS 136 -4.996 -13.128 8.996 1049 HE3 LYS 136 1HE LYS 136 -5.692 -13.335 10.602 1050 HZ1 LYS 136 1HZ LYS 136 -7.781 -12.453 9.772 1051 HZ2 LYS 136 2HZ LYS 136 -7.307 -13.816 8.876 1052 HZ3 LYS 136 3HZ LYS 136 -7.112 -12.258 8.227 1053 H ALA 137 H ALA 137 -5.198 -6.521 7.882 1054 HA ALA 137 HA ALA 137 -7.123 -7.558 5.996 1055 HB1 ALA 137 1HB ALA 137 -6.450 -4.810 7.012 1056 HB2 ALA 137 2HB ALA 137 -7.930 -5.741 7.249 1057 HB3 ALA 137 3HB ALA 137 -7.592 -5.005 5.683 1058 H LEU 138 H LEU 138 -4.279 -5.437 5.673 1059 HA LEU 138 HA LEU 138 -4.553 -5.085 2.826 1060 HB2 LEU 138 2HB LEU 138 -2.149 -4.863 4.654 1061 HB3 LEU 138 1HB LEU 138 -2.110 -4.454 2.944 1062 HG LEU 138 HG LEU 138 -3.987 -3.212 4.975 1063 HD11 LEU 138 1HD1 LEU 138 -1.369 -2.299 3.767 1064 HD12 LEU 138 2HD1 LEU 138 -1.800 -2.402 5.473 1065 HD13 LEU 138 3HD1 LEU 138 -2.531 -1.163 4.452 1066 HD21 LEU 138 1HD2 LEU 138 -3.639 -3.029 2.015 1067 HD22 LEU 138 2HD2 LEU 138 -3.968 -1.526 2.875 1068 HD23 LEU 138 3HD2 LEU 138 -5.104 -2.870 2.984 1069 H ASP 139 H ASP 139 -3.468 -7.682 4.798 1070 HA ASP 139 HA ASP 139 -2.715 -9.814 4.288 1071 HB2 ASP 139 2HB ASP 139 -3.829 -8.978 1.623 1072 HB3 ASP 139 1HB ASP 139 -3.069 -10.545 1.856 1073 H GLY 140 H GLY 140 -0.577 -9.908 4.582 1074 HA2 GLY 140 2HA GLY 140 1.170 -9.262 2.250 1075 HA3 GLY 140 1HA GLY 140 1.658 -8.811 3.885 1076 HA PRO 141 HA PRO 141 1.399 -13.754 3.628 1077 HB2 PRO 141 2HB PRO 141 2.088 -13.926 0.736 1078 HB3 PRO 141 1HB PRO 141 0.991 -14.935 1.697 1079 HG2 PRO 141 2HG PRO 141 0.079 -13.121 -0.029 1080 HG3 PRO 141 1HG PRO 141 -0.753 -13.463 1.496 1081 HD2 PRO 141 2HD PRO 141 0.904 -11.096 0.750 1082 HD3 PRO 141 1HD PRO 141 -0.482 -11.206 1.855 1083 H SER 142 H SER 142 3.303 -14.808 4.176 1084 HA SER 142 HA SER 142 5.795 -13.472 4.084 1085 HB2 SER 142 2HB SER 142 4.810 -15.962 5.059 1086 HB3 SER 142 1HB SER 142 6.248 -16.303 4.101 1087 HG SER 142 HG SER 142 7.416 -14.940 5.379 1088 HA PRO 143 HA PRO 143 6.819 -15.955 0.150 1089 HB2 PRO 143 2HB PRO 143 4.948 -17.568 -0.970 1090 HB3 PRO 143 1HB PRO 143 5.978 -18.097 0.375 1091 HG2 PRO 143 2HG PRO 143 3.126 -17.344 0.367 1092 HG3 PRO 143 1HG PRO 143 4.004 -18.456 1.429 1093 HD2 PRO 143 2HD PRO 143 3.251 -15.784 2.024 1094 HD3 PRO 143 1HD PRO 143 4.318 -16.827 2.987 1095 H GLY 144 H GLY 144 3.286 -15.630 -0.363 1096 HA2 GLY 144 2HA GLY 144 3.667 -14.215 -2.874 1097 HA3 GLY 144 1HA GLY 144 2.124 -14.447 -2.041 1098 H GLU 145 H GLU 145 5.145 -12.929 -0.977 1099 HA GLU 145 HA GLU 145 4.053 -10.905 0.573 1100 HB2 GLU 145 2HB GLU 145 6.497 -10.593 -1.171 1101 HB3 GLU 145 1HB GLU 145 6.141 -9.728 0.318 1102 HG2 GLU 145 2HG GLU 145 6.143 -11.902 1.541 1103 HG3 GLU 145 1HG GLU 145 6.646 -12.698 0.050 1104 H THR 146 H THR 146 4.509 -8.422 -0.162 1105 HA THR 146 HA THR 146 2.375 -7.706 -1.870 1106 HB THR 146 HB THR 146 4.823 -6.000 -1.449 1107 HG1 THR 146 1HG THR 146 4.335 -5.834 0.576 1108 HG21 THR 146 1HG2 THR 146 3.041 -4.215 -1.384 1109 HG22 THR 146 2HG2 THR 146 1.878 -5.456 -1.854 1110 HG23 THR 146 3HG2 THR 146 3.203 -5.033 -2.938 1111 H LEU 147 H LEU 147 5.847 -7.991 -2.581 1112 HA LEU 147 HA LEU 147 5.743 -7.021 -5.244 1113 HB2 LEU 147 2HB LEU 147 7.581 -9.182 -4.182 1114 HB3 LEU 147 1HB LEU 147 7.878 -8.116 -5.552 1115 HG LEU 147 HG LEU 147 7.252 -6.444 -3.349 1116 HD11 LEU 147 1HD1 LEU 147 7.866 -8.545 -2.029 1117 HD12 LEU 147 2HD1 LEU 147 8.791 -7.093 -1.647 1118 HD13 LEU 147 3HD1 LEU 147 9.498 -8.346 -2.667 1119 HD21 LEU 147 1HD2 LEU 147 9.960 -7.086 -4.547 1120 HD22 LEU 147 2HD2 LEU 147 9.494 -5.584 -3.750 1121 HD23 LEU 147 3HD2 LEU 147 8.783 -6.017 -5.306 1122 H ALA 148 H ALA 148 5.057 -10.221 -3.922 1123 HA ALA 148 HA ALA 148 5.055 -11.621 -6.410 1124 HB1 ALA 148 1HB ALA 148 4.476 -12.202 -3.686 1125 HB2 ALA 148 2HB ALA 148 4.745 -13.338 -5.010 1126 HB3 ALA 148 3HB ALA 148 3.114 -12.762 -4.660 1127 H ARG 149 H ARG 149 2.273 -10.291 -4.579 1128 HA ARG 149 HA ARG 149 0.426 -11.033 -6.660 1129 HB2 ARG 149 2HB ARG 149 -1.178 -9.591 -5.357 1130 HB3 ARG 149 1HB ARG 149 -0.407 -10.872 -4.429 1131 HG2 ARG 149 2HG ARG 149 0.248 -9.289 -2.967 1132 HG3 ARG 149 1HG ARG 149 1.339 -8.691 -4.211 1133 HD2 ARG 149 2HD ARG 149 0.037 -6.800 -3.614 1134 HD3 ARG 149 1HD ARG 149 -0.691 -7.378 -5.113 1135 HE ARG 149 HE ARG 149 -2.626 -7.964 -3.886 1136 HH11 ARG 149 1HH1 ARG 149 -3.828 -8.093 -1.977 1137 HH12 ARG 149 2HH1 ARG 149 -3.034 -7.879 -0.453 1138 HH21 ARG 149 1HH2 ARG 149 0.098 -7.384 -1.855 1139 HH22 ARG 149 2HH2 ARG 149 -0.811 -7.477 -0.384 1140 H PHE 150 H PHE 150 1.533 -7.753 -5.646 1141 HA PHE 150 HA PHE 150 0.185 -6.553 -7.915 1142 HB2 PHE 150 2HB PHE 150 0.414 -4.695 -6.697 1143 HB3 PHE 150 1HB PHE 150 1.286 -5.644 -5.491 1144 HD1 PHE 150 1HD PHE 150 1.535 -3.012 -7.910 1145 HD2 PHE 150 2HD PHE 150 3.784 -6.061 -5.903 1146 HE1 PHE 150 1HE PHE 150 3.643 -1.831 -8.476 1147 HE2 PHE 150 2HE PHE 150 5.878 -4.899 -6.464 1148 HZ PHE 150 HZ PHE 150 5.818 -2.774 -7.753 1149 H ALA 151 H ALA 151 3.613 -7.379 -7.287 1150 HA ALA 151 HA ALA 151 4.545 -5.991 -9.642 1151 HB1 ALA 151 1HB ALA 151 5.835 -7.017 -7.519 1152 HB2 ALA 151 2HB ALA 151 6.637 -6.692 -9.051 1153 HB3 ALA 151 3HB ALA 151 6.101 -8.325 -8.671 1154 H ASN 152 H ASN 152 3.668 -9.395 -9.050 1155 HA ASN 152 HA ASN 152 4.467 -10.319 -11.645 1156 HB2 ASN 152 2HB ASN 152 3.512 -12.347 -11.066 1157 HB3 ASN 152 1HB ASN 152 3.756 -11.639 -9.470 1158 HD21 ASN 152 1HD2 ASN 152 1.791 -10.371 -8.593 1159 HD22 ASN 152 2HD2 ASN 152 0.244 -10.957 -8.989 1160 H VAL 153 H VAL 153 1.349 -9.090 -10.448 1161 HA VAL 153 HA VAL 153 -0.081 -9.614 -12.885 1162 HB VAL 153 HB VAL 153 -1.705 -7.947 -11.982 1163 HG11 VAL 153 1HG1 VAL 153 -1.525 -9.322 -9.550 1164 HG12 VAL 153 2HG1 VAL 153 -0.780 -10.403 -10.728 1165 HG13 VAL 153 3HG1 VAL 153 -2.432 -9.834 -10.972 1166 HG21 VAL 153 1HG2 VAL 153 0.471 -7.649 -9.923 1167 HG22 VAL 153 2HG2 VAL 153 -1.183 -7.133 -9.639 1168 HG23 VAL 153 3HG2 VAL 153 -0.233 -6.383 -10.920 1169 H ILE 154 H ILE 154 1.785 -6.823 -11.742 1170 HA ILE 154 HA ILE 154 0.978 -5.042 -13.808 1171 HB ILE 154 HB ILE 154 3.414 -5.194 -12.060 1172 HG12 ILE 154 2HG1 ILE 154 1.256 -3.090 -12.340 1173 HG13 ILE 154 1HG1 ILE 154 1.191 -4.406 -11.173 1174 HG21 ILE 154 1HG2 ILE 154 2.896 -3.465 -14.449 1175 HG22 ILE 154 2HG2 ILE 154 4.397 -4.229 -13.931 1176 HG23 ILE 154 3HG2 ILE 154 3.791 -2.810 -13.079 1177 HD11 ILE 154 1HD1 ILE 154 2.115 -2.468 -10.057 1178 HD12 ILE 154 2HD1 ILE 154 3.295 -2.238 -11.347 1179 HD13 ILE 154 3HD1 ILE 154 3.411 -3.642 -10.284 1180 HBC 969 201 HBC PDM 155 4.610 -8.734 3.568 1181 HBD 969 201 HBD PDM 155 6.363 -8.425 3.535 1182 HBE 969 201 HBE PDM 155 5.625 -9.495 2.319 1183 HBA 969 201 HBA PDM 155 4.614 -7.699 1.171 1184 HBB 969 201 HBB PDM 155 4.757 -6.601 2.563 1185 HA0 969 201 0HA PDM 155 7.156 -6.442 -0.558 1186 HAY 969 201 HAY PDM 155 5.760 -7.537 -0.412 1187 HAZ 969 201 HAZ PDM 155 7.405 -8.138 -0.087 1188 HBF 969 201 HBF PDM 155 7.956 -8.330 1.763 1189 HAQ 969 201 HAQ PDM 155 5.608 -4.127 -4.791 1190 HAL 969 201 HAL PDM 155 7.645 -4.080 -6.546 1191 HAM 969 201 HAM PDM 155 9.419 -2.356 -6.672 1192 HAN 969 201 HAN PDM 155 10.405 -1.449 -4.593 1193 HAE 969 201 HAE PDM 155 10.707 -1.434 0.212 1194 HAS 969 201 HAS PDM 155 11.047 -1.675 2.379 1195 HAT 969 201 HAT PDM 155 10.435 -3.111 3.236 1196 HAU 969 201 HAU PDM 155 9.503 -1.597 3.261 1197 HAV 969 201 HAV PDM 155 6.501 -5.282 3.741 Start of MODEL 14 1 H1 MET 1 1HT MET 1 4.437 -9.847 10.323 2 H2 MET 1 2HT MET 1 4.399 -10.817 8.928 3 H3 MET 1 3HT MET 1 5.762 -10.834 9.942 4 HA MET 1 HA MET 1 3.136 -12.082 10.325 5 HB2 MET 1 2HB MET 1 5.784 -12.934 9.855 6 HB3 MET 1 1HB MET 1 5.435 -13.353 11.533 7 HG2 MET 1 2HG MET 1 3.340 -14.460 10.809 8 HG3 MET 1 1HG MET 1 3.728 -14.075 9.132 9 HE1 MET 1 1HE MET 1 3.187 -16.993 9.404 10 HE2 MET 1 2HE MET 1 3.284 -16.725 11.143 11 HE3 MET 1 3HE MET 1 4.277 -17.973 10.395 12 HA PRO 2 HA PRO 2 5.035 -11.269 14.781 13 HB2 PRO 2 2HB PRO 2 6.383 -8.686 14.263 14 HB3 PRO 2 1HB PRO 2 6.939 -10.080 15.207 15 HG2 PRO 2 2HG PRO 2 7.985 -9.459 12.819 16 HG3 PRO 2 1HG PRO 2 7.830 -11.131 13.385 17 HD2 PRO 2 2HD PRO 2 6.180 -9.660 11.368 18 HD3 PRO 2 1HD PRO 2 6.645 -11.378 11.412 19 H GLU 3 H GLU 3 3.866 -10.062 16.320 20 HA GLU 3 HA GLU 3 1.595 -8.592 15.404 21 HB2 GLU 3 2HB GLU 3 2.891 -8.724 18.144 22 HB3 GLU 3 1HB GLU 3 1.307 -8.025 17.820 23 HG2 GLU 3 2HG GLU 3 0.552 -10.205 16.899 24 HG3 GLU 3 1HG GLU 3 2.123 -10.898 17.305 25 H GLU 4 H GLU 4 4.838 -7.637 16.293 26 HA GLU 4 HA GLU 4 4.088 -4.766 16.258 27 HB2 GLU 4 2HB GLU 4 5.628 -5.664 18.023 28 HB3 GLU 4 1HB GLU 4 6.789 -6.023 16.747 29 HG2 GLU 4 2HG GLU 4 6.770 -3.623 16.086 30 HG3 GLU 4 1HG GLU 4 5.689 -3.287 17.442 31 H ILE 5 H ILE 5 4.877 -3.341 14.674 32 HA ILE 5 HA ILE 5 6.188 -4.646 12.325 33 HB ILE 5 HB ILE 5 4.816 -2.162 11.721 34 HG12 ILE 5 2HG1 ILE 5 3.358 -2.946 13.577 35 HG13 ILE 5 1HG1 ILE 5 2.540 -2.939 12.023 36 HG21 ILE 5 1HG2 ILE 5 4.592 -4.999 10.747 37 HG22 ILE 5 2HG2 ILE 5 5.559 -3.709 10.030 38 HG23 ILE 5 3HG2 ILE 5 3.796 -3.619 9.997 39 HD11 ILE 5 1HD1 ILE 5 3.933 -5.439 12.538 40 HD12 ILE 5 2HD1 ILE 5 2.257 -5.159 12.061 41 HD13 ILE 5 3HD1 ILE 5 2.716 -5.087 13.761 42 HA PRO 6 HA PRO 6 9.058 -1.338 13.656 43 HB2 PRO 6 2HB PRO 6 11.368 -2.710 13.175 44 HB3 PRO 6 1HB PRO 6 10.437 -2.888 14.675 45 HG2 PRO 6 2HG PRO 6 10.650 -4.706 12.359 46 HG3 PRO 6 1HG PRO 6 10.367 -5.074 14.066 47 HD2 PRO 6 2HD PRO 6 8.406 -5.003 12.044 48 HD3 PRO 6 1HD PRO 6 8.100 -5.029 13.794 49 H ASP 7 H ASP 7 10.892 -0.298 12.358 50 HA ASP 7 HA ASP 7 10.033 0.184 9.685 51 HB2 ASP 7 2HB ASP 7 12.161 1.467 9.488 52 HB3 ASP 7 1HB ASP 7 11.252 1.872 10.943 53 H VAL 8 H VAL 8 10.449 -0.893 7.846 54 HA VAL 8 HA VAL 8 12.895 -2.587 7.663 55 HB VAL 8 HB VAL 8 10.948 -4.050 8.239 56 HG11 VAL 8 1HG1 VAL 8 9.729 -3.734 5.578 57 HG12 VAL 8 2HG1 VAL 8 9.540 -2.325 6.623 58 HG13 VAL 8 3HG1 VAL 8 8.957 -3.902 7.157 59 HG21 VAL 8 1HG2 VAL 8 11.626 -4.542 5.348 60 HG22 VAL 8 2HG2 VAL 8 11.506 -5.701 6.672 61 HG23 VAL 8 3HG2 VAL 8 12.896 -4.620 6.569 62 H ARG 9 H ARG 9 13.832 -2.516 5.598 63 HA ARG 9 HA ARG 9 12.329 -0.958 3.524 64 HB2 ARG 9 2HB ARG 9 14.158 0.371 4.571 65 HB3 ARG 9 1HB ARG 9 15.304 -0.871 4.064 66 HG2 ARG 9 2HG ARG 9 14.639 -0.503 1.702 67 HG3 ARG 9 1HG ARG 9 13.555 0.785 2.225 68 HD2 ARG 9 2HD ARG 9 15.507 1.977 3.222 69 HD3 ARG 9 1HD ARG 9 16.564 0.719 2.584 70 HE ARG 9 HE ARG 9 16.234 1.598 0.391 71 HH11 ARG 9 1HH1 ARG 9 15.598 3.292 -0.958 72 HH12 ARG 9 2HH1 ARG 9 14.495 4.489 -0.364 73 HH21 ARG 9 1HH2 ARG 9 14.199 3.045 2.773 74 HH22 ARG 9 2HH2 ARG 9 13.705 4.348 1.746 75 H LYS 10 H LYS 10 12.108 -2.032 1.634 76 HA LYS 10 HA LYS 10 14.192 -4.011 0.869 77 HB2 LYS 10 2HB LYS 10 11.212 -4.565 0.715 78 HB3 LYS 10 1HB LYS 10 12.499 -5.636 0.169 79 HG2 LYS 10 2HG LYS 10 13.387 -5.703 2.498 80 HG3 LYS 10 1HG LYS 10 12.009 -4.734 3.021 81 HD2 LYS 10 2HD LYS 10 10.486 -6.501 2.114 82 HD3 LYS 10 1HD LYS 10 11.904 -7.487 1.758 83 HE2 LYS 10 2HE LYS 10 12.356 -6.799 4.375 84 HE3 LYS 10 1HE LYS 10 10.598 -6.940 4.343 85 HZ1 LYS 10 1HZ LYS 10 11.169 -9.103 3.011 86 HZ2 LYS 10 2HZ LYS 10 11.175 -9.095 4.710 87 HZ3 LYS 10 3HZ LYS 10 12.637 -8.983 3.853 88 H SER 11 H SER 11 14.148 -4.445 -1.481 89 HA SER 11 HA SER 11 12.615 -2.466 -3.069 90 HB2 SER 11 2HB SER 11 14.602 -1.767 -4.279 91 HB3 SER 11 1HB SER 11 14.816 -1.474 -2.555 92 HG SER 11 HG SER 11 16.640 -2.500 -3.491 93 H VAL 12 H VAL 12 12.293 -3.112 -5.249 94 HA VAL 12 HA VAL 12 13.490 -5.605 -6.219 95 HB VAL 12 HB VAL 12 10.871 -5.546 -4.946 96 HG11 VAL 12 1HG1 VAL 12 9.765 -6.987 -6.685 97 HG12 VAL 12 2HG1 VAL 12 11.058 -6.559 -7.802 98 HG13 VAL 12 3HG1 VAL 12 9.968 -5.311 -7.192 99 HG21 VAL 12 1HG2 VAL 12 11.207 -8.013 -5.081 100 HG22 VAL 12 2HG2 VAL 12 12.611 -7.176 -4.420 101 HG23 VAL 12 3HG2 VAL 12 12.625 -7.737 -6.092 102 H VAL 13 H VAL 13 13.083 -5.890 -8.508 103 HA VAL 13 HA VAL 13 12.047 -3.411 -9.800 104 HB VAL 13 HB VAL 13 14.075 -5.403 -10.846 105 HG11 VAL 13 1HG1 VAL 13 12.511 -3.257 -12.082 106 HG12 VAL 13 2HG1 VAL 13 13.508 -4.495 -12.846 107 HG13 VAL 13 3HG1 VAL 13 14.247 -3.005 -12.259 108 HG21 VAL 13 1HG2 VAL 13 14.398 -3.485 -8.899 109 HG22 VAL 13 2HG2 VAL 13 14.822 -2.597 -10.362 110 HG23 VAL 13 3HG2 VAL 13 15.689 -4.076 -9.947 111 H VAL 14 H VAL 14 10.499 -3.577 -11.331 112 HA VAL 14 HA VAL 14 9.555 -6.322 -12.062 113 HB VAL 14 HB VAL 14 8.041 -5.312 -10.411 114 HG11 VAL 14 1HG1 VAL 14 7.585 -3.104 -10.401 115 HG12 VAL 14 2HG1 VAL 14 7.057 -3.146 -12.083 116 HG13 VAL 14 3HG1 VAL 14 8.765 -2.932 -11.699 117 HG21 VAL 14 1HG2 VAL 14 6.920 -5.224 -13.236 118 HG22 VAL 14 2HG2 VAL 14 5.960 -5.298 -11.767 119 HG23 VAL 14 3HG2 VAL 14 7.006 -6.649 -12.200 120 H ALA 15 H ALA 15 8.573 -6.462 -14.188 121 HA ALA 15 HA ALA 15 9.763 -4.645 -16.125 122 HB1 ALA 15 1HB ALA 15 7.528 -6.577 -16.729 123 HB2 ALA 15 2HB ALA 15 9.164 -7.164 -16.429 124 HB3 ALA 15 3HB ALA 15 8.853 -6.070 -17.778 125 H ALA 16 H ALA 16 8.880 -2.562 -15.682 126 HA ALA 16 HA ALA 16 6.295 -1.994 -16.816 127 HB1 ALA 16 1HB ALA 16 6.077 -1.283 -13.984 128 HB2 ALA 16 2HB ALA 16 6.148 -3.027 -14.236 129 HB3 ALA 16 3HB ALA 16 4.898 -2.071 -15.034 130 H SER 17 H SER 17 5.756 0.343 -16.532 131 HA SER 17 HA SER 17 8.231 1.933 -16.142 132 HB2 SER 17 2HB SER 17 6.938 2.190 -18.280 133 HB3 SER 17 1HB SER 17 5.570 2.776 -17.337 134 HG SER 17 HG SER 17 8.064 3.955 -16.914 135 H VAL 18 H VAL 18 8.219 3.699 -14.639 136 HA VAL 18 HA VAL 18 6.801 3.332 -12.248 137 HB VAL 18 HB VAL 18 7.549 5.541 -11.622 138 HG11 VAL 18 1HG1 VAL 18 9.724 4.793 -13.502 139 HG12 VAL 18 2HG1 VAL 18 9.186 3.542 -12.385 140 HG13 VAL 18 3HG1 VAL 18 9.795 5.077 -11.767 141 HG21 VAL 18 1HG2 VAL 18 8.521 7.063 -13.360 142 HG22 VAL 18 2HG2 VAL 18 6.790 6.799 -13.567 143 HG23 VAL 18 3HG2 VAL 18 7.941 5.951 -14.601 144 H GLU 19 H GLU 19 5.898 5.204 -15.110 145 HA GLU 19 HA GLU 19 3.628 6.512 -13.990 146 HB2 GLU 19 2HB GLU 19 4.184 5.561 -16.805 147 HB3 GLU 19 1HB GLU 19 2.832 6.595 -16.367 148 HG2 GLU 19 2HG GLU 19 4.431 8.268 -15.461 149 HG3 GLU 19 1HG GLU 19 5.768 7.240 -15.977 150 H HIS 20 H HIS 20 4.045 3.339 -15.515 151 HA HIS 20 HA HIS 20 1.279 2.585 -15.422 152 HB2 HIS 20 2HB HIS 20 2.620 1.210 -16.803 153 HB3 HIS 20 1HB HIS 20 3.836 0.988 -15.539 154 HD1 HIS 20 1HD HIS 20 0.637 -0.393 -16.805 155 HD2 HIS 20 2HD HIS 20 2.927 -0.719 -13.327 156 HE1 HIS 20 1HE HIS 20 -0.311 -2.344 -15.487 157 HE2 HIS 20 2HE HIS 20 1.058 -2.518 -13.363 158 H CYS 21 H CYS 21 3.974 2.160 -13.171 159 HA CYS 21 HA CYS 21 2.805 0.477 -11.282 160 HB2 CYS 21 2HB CYS 21 4.568 2.890 -10.775 161 HB3 CYS 21 1HB CYS 21 4.289 1.574 -9.639 162 HG CYS 21 HG CYS 21 6.117 1.445 -12.095 163 H PHE 22 H PHE 22 2.541 4.032 -11.479 164 HA PHE 22 HA PHE 22 0.637 4.006 -9.264 165 HB2 PHE 22 2HB PHE 22 2.154 6.040 -10.688 166 HB3 PHE 22 1HB PHE 22 0.484 6.537 -10.372 167 HD1 PHE 22 1HD PHE 22 -0.296 6.959 -8.147 168 HD2 PHE 22 2HD PHE 22 3.566 5.196 -8.796 169 HE1 PHE 22 1HE PHE 22 0.219 7.208 -5.732 170 HE2 PHE 22 2HE PHE 22 4.089 5.451 -6.390 171 HZ PHE 22 HZ PHE 22 2.417 6.449 -4.859 172 H GLU 23 H GLU 23 0.468 3.975 -12.755 173 HA GLU 23 HA GLU 23 -2.211 4.918 -13.043 174 HB2 GLU 23 2HB GLU 23 -0.723 4.466 -14.978 175 HB3 GLU 23 1HB GLU 23 -0.817 2.745 -14.614 176 HG2 GLU 23 2HG GLU 23 -3.268 2.812 -14.913 177 HG3 GLU 23 1HG GLU 23 -3.158 4.524 -15.333 178 H VAL 24 H VAL 24 -0.852 1.752 -12.277 179 HA VAL 24 HA VAL 24 -3.352 0.355 -12.198 180 HB VAL 24 HB VAL 24 -0.656 -0.180 -10.909 181 HG11 VAL 24 1HG1 VAL 24 -2.300 -1.250 -9.519 182 HG12 VAL 24 2HG1 VAL 24 -1.606 -2.494 -10.560 183 HG13 VAL 24 3HG1 VAL 24 -3.196 -1.824 -10.924 184 HG21 VAL 24 1HG2 VAL 24 -0.723 -2.044 -12.648 185 HG22 VAL 24 2HG2 VAL 24 -0.585 -0.410 -13.297 186 HG23 VAL 24 3HG2 VAL 24 -2.139 -1.243 -13.328 187 H PHE 25 H PHE 25 -1.441 2.109 -9.791 188 HA PHE 25 HA PHE 25 -2.933 1.444 -7.472 189 HB2 PHE 25 2HB PHE 25 -1.363 3.903 -8.227 190 HB3 PHE 25 1HB PHE 25 -2.075 3.685 -6.638 191 HD1 PHE 25 1HD PHE 25 0.374 3.993 -5.947 192 HD2 PHE 25 2HD PHE 25 -1.015 0.527 -8.096 193 HE1 PHE 25 1HE PHE 25 2.367 2.726 -5.212 194 HE2 PHE 25 2HE PHE 25 0.965 -0.725 -7.351 195 HZ PHE 25 HZ PHE 25 2.655 0.357 -5.908 196 H THR 26 H THR 26 -3.361 4.239 -9.673 197 HA THR 26 HA THR 26 -5.824 4.908 -8.197 198 HB THR 26 HB THR 26 -5.848 6.909 -9.701 199 HG1 THR 26 1HG THR 26 -3.263 6.104 -10.453 200 HG21 THR 26 1HG2 THR 26 -4.844 7.548 -7.755 201 HG22 THR 26 2HG2 THR 26 -3.400 7.607 -8.769 202 HG23 THR 26 3HG2 THR 26 -3.722 6.187 -7.774 203 H SER 27 H SER 27 -5.038 3.032 -10.922 204 HA SER 27 HA SER 27 -7.611 3.623 -12.250 205 HB2 SER 27 2HB SER 27 -6.822 2.116 -13.994 206 HB3 SER 27 1HB SER 27 -5.563 3.281 -13.615 207 HG SER 27 HG SER 27 -4.490 1.426 -13.496 208 H ARG 28 H ARG 28 -5.949 0.720 -10.917 209 HA ARG 28 HA ARG 28 -8.408 -0.217 -9.704 210 HB2 ARG 28 2HB ARG 28 -8.258 -2.394 -11.207 211 HB3 ARG 28 1HB ARG 28 -9.213 -1.010 -11.711 212 HG2 ARG 28 2HG ARG 28 -7.857 -1.764 -13.584 213 HG3 ARG 28 1HG ARG 28 -7.250 -0.207 -13.052 214 HD2 ARG 28 2HD ARG 28 -5.450 -1.298 -11.817 215 HD3 ARG 28 1HD ARG 28 -6.093 -2.888 -12.236 216 HE ARG 28 HE ARG 28 -4.487 -1.192 -13.961 217 HH11 ARG 28 1HH1 ARG 28 -4.111 -1.980 -16.047 218 HH12 ARG 28 2HH1 ARG 28 -5.094 -3.268 -16.662 219 HH21 ARG 28 1HH2 ARG 28 -7.015 -3.531 -13.788 220 HH22 ARG 28 2HH2 ARG 28 -6.737 -4.145 -15.384 221 HA PRO 29 HA PRO 29 -4.284 -1.851 -8.179 222 HB2 PRO 29 2HB PRO 29 -4.896 -1.403 -5.502 223 HB3 PRO 29 1HB PRO 29 -3.909 -0.360 -6.533 224 HG2 PRO 29 2HG PRO 29 -6.696 -0.051 -5.661 225 HG3 PRO 29 1HG PRO 29 -5.507 1.168 -6.117 226 HD2 PRO 29 2HD PRO 29 -7.624 0.396 -7.712 227 HD3 PRO 29 1HD PRO 29 -6.135 1.143 -8.326 228 H ALA 30 H ALA 30 -7.350 -2.313 -6.405 229 HA ALA 30 HA ALA 30 -6.562 -4.907 -5.417 230 HB1 ALA 30 1HB ALA 30 -9.452 -4.424 -5.594 231 HB2 ALA 30 2HB ALA 30 -8.565 -3.114 -4.814 232 HB3 ALA 30 3HB ALA 30 -8.450 -4.755 -4.181 233 H ASP 31 H ASP 31 -8.274 -3.845 -8.300 234 HA ASP 31 HA ASP 31 -9.486 -6.314 -8.996 235 HB2 ASP 31 2HB ASP 31 -9.567 -3.897 -10.108 236 HB3 ASP 31 1HB ASP 31 -8.360 -4.627 -11.171 237 H TRP 32 H TRP 32 -6.096 -5.273 -9.454 238 HA TRP 32 HA TRP 32 -5.493 -7.275 -11.388 239 HB2 TRP 32 2HB TRP 32 -3.254 -6.779 -11.148 240 HB3 TRP 32 1HB TRP 32 -4.004 -5.287 -10.617 241 HD1 TRP 32 HD TRP 32 -2.873 -8.578 -8.842 242 HE1 TRP 32 1HE TRP 32 -1.706 -7.925 -6.655 243 HE3 TRP 32 3HE TRP 32 -3.190 -3.511 -9.168 244 HZ2 TRP 32 2HZ TRP 32 -0.965 -5.559 -5.237 245 HZ3 TRP 32 3HZ TRP 32 -2.208 -2.069 -7.390 246 HH2 TRP 32 HH TRP 32 -1.097 -3.088 -5.427 247 H TRP 33 H TRP 33 -6.141 -7.603 -8.016 248 HA TRP 33 HA TRP 33 -4.682 -9.863 -7.289 249 HB2 TRP 33 2HB TRP 33 -6.069 -9.386 -5.550 250 HB3 TRP 33 1HB TRP 33 -7.331 -8.763 -6.614 251 HD1 TRP 33 HD TRP 33 -5.746 -12.246 -6.127 252 HE1 TRP 33 1HE TRP 33 -7.655 -13.981 -5.967 253 HE3 TRP 33 3HE TRP 33 -9.778 -9.153 -6.564 254 HZ2 TRP 33 2HZ TRP 33 -10.521 -14.038 -6.023 255 HZ3 TRP 33 3HZ TRP 33 -12.081 -10.065 -6.511 256 HH2 TRP 33 HH TRP 33 -12.457 -12.502 -6.241 257 HA PRO 34 HA PRO 34 -5.867 -12.433 -10.886 258 HB2 PRO 34 2HB PRO 34 -4.526 -14.531 -9.255 259 HB3 PRO 34 1HB PRO 34 -4.266 -14.082 -10.950 260 HG2 PRO 34 2HG PRO 34 -2.542 -13.419 -9.013 261 HG3 PRO 34 1HG PRO 34 -2.833 -12.388 -10.423 262 HD2 PRO 34 2HD PRO 34 -3.710 -12.006 -7.604 263 HD3 PRO 34 1HD PRO 34 -3.380 -10.798 -8.865 264 HA PRO 35 HA PRO 35 -9.510 -14.385 -9.200 265 HB2 PRO 35 2HB PRO 35 -10.014 -16.209 -11.202 266 HB3 PRO 35 1HB PRO 35 -10.408 -14.483 -11.311 267 HG2 PRO 35 2HG PRO 35 -8.116 -15.980 -12.466 268 HG3 PRO 35 1HG PRO 35 -9.049 -14.636 -13.145 269 HD2 PRO 35 2HD PRO 35 -6.568 -14.309 -12.043 270 HD3 PRO 35 1HD PRO 35 -7.806 -13.033 -12.037 271 H SER 36 H SER 36 -6.720 -16.283 -10.119 272 HA SER 36 HA SER 36 -7.690 -18.547 -8.424 273 HB2 SER 36 2HB SER 36 -7.024 -19.095 -10.774 274 HB3 SER 36 1HB SER 36 -5.405 -18.498 -10.422 275 HG SER 36 HG SER 36 -6.778 -20.669 -9.211 276 H HIS 37 H HIS 37 -6.356 -19.259 -6.697 277 HA HIS 37 HA HIS 37 -4.854 -18.908 -4.920 278 HB2 HIS 37 2HB HIS 37 -3.127 -17.901 -7.209 279 HB3 HIS 37 1HB HIS 37 -2.543 -18.323 -5.600 280 HD1 HIS 37 1HD HIS 37 -3.800 -19.836 -8.788 281 HD2 HIS 37 2HD HIS 37 -2.505 -21.131 -5.041 282 HE1 HIS 37 1HE HIS 37 -3.466 -22.342 -8.971 283 HE2 HIS 37 2HE HIS 37 -2.678 -23.139 -6.695 284 H VAL 38 H VAL 38 -5.941 -17.258 -3.791 285 HA VAL 38 HA VAL 38 -5.430 -14.457 -4.654 286 HB VAL 38 HB VAL 38 -7.265 -15.453 -2.460 287 HG11 VAL 38 1HG1 VAL 38 -6.425 -12.860 -3.354 288 HG12 VAL 38 2HG1 VAL 38 -7.565 -13.262 -2.069 289 HG13 VAL 38 3HG1 VAL 38 -8.137 -13.059 -3.725 290 HG21 VAL 38 1HG2 VAL 38 -8.568 -16.274 -4.109 291 HG22 VAL 38 2HG2 VAL 38 -7.505 -15.617 -5.353 292 HG23 VAL 38 3HG2 VAL 38 -8.782 -14.615 -4.664 293 H LEU 39 H LEU 39 -4.005 -13.201 -3.544 294 HA LEU 39 HA LEU 39 -2.740 -14.353 -1.129 295 HB2 LEU 39 2HB LEU 39 -2.019 -11.839 -2.668 296 HB3 LEU 39 1HB LEU 39 -1.047 -12.616 -1.418 297 HG LEU 39 HG LEU 39 -1.787 -13.780 -4.119 298 HD11 LEU 39 1HD1 LEU 39 0.494 -12.294 -3.069 299 HD12 LEU 39 2HD1 LEU 39 0.110 -12.720 -4.737 300 HD13 LEU 39 3HD1 LEU 39 0.973 -13.865 -3.710 301 HD21 LEU 39 1HD2 LEU 39 -1.775 -15.672 -2.751 302 HD22 LEU 39 2HD2 LEU 39 -0.596 -14.981 -1.635 303 HD23 LEU 39 3HD2 LEU 39 -0.077 -15.570 -3.215 304 H VAL 40 H VAL 40 -5.347 -12.402 -1.790 305 HA VAL 40 HA VAL 40 -4.934 -10.725 0.646 306 HB VAL 40 HB VAL 40 -7.021 -10.502 -1.562 307 HG11 VAL 40 1HG1 VAL 40 -6.378 -8.322 0.402 308 HG12 VAL 40 2HG1 VAL 40 -7.469 -9.609 0.904 309 HG13 VAL 40 3HG1 VAL 40 -7.871 -8.611 -0.491 310 HG21 VAL 40 1HG2 VAL 40 -5.725 -8.744 -2.456 311 HG22 VAL 40 2HG2 VAL 40 -4.536 -9.984 -2.059 312 HG23 VAL 40 3HG2 VAL 40 -4.753 -8.597 -0.992 313 H LYS 41 H LYS 41 -5.742 -11.668 2.457 314 HA LYS 41 HA LYS 41 -7.620 -13.833 2.447 315 HB2 LYS 41 2HB LYS 41 -6.041 -13.332 4.323 316 HB3 LYS 41 1HB LYS 41 -7.021 -11.921 4.712 317 HG2 LYS 41 2HG LYS 41 -8.994 -13.392 5.028 318 HG3 LYS 41 1HG LYS 41 -7.977 -14.796 4.701 319 HD2 LYS 41 2HD LYS 41 -6.517 -14.121 6.622 320 HD3 LYS 41 1HD LYS 41 -7.666 -12.834 6.990 321 HE2 LYS 41 2HE LYS 41 -9.179 -15.214 6.683 322 HE3 LYS 41 1HE LYS 41 -7.803 -15.614 7.710 323 HZ1 LYS 41 1HZ LYS 41 -8.958 -14.681 9.345 324 HZ2 LYS 41 2HZ LYS 41 -10.085 -13.988 8.280 325 HZ3 LYS 41 3HZ LYS 41 -8.628 -13.184 8.620 326 H LYS 42 H LYS 42 -7.955 -10.342 2.851 327 HA LYS 42 HA LYS 42 -10.844 -10.513 3.307 328 HB2 LYS 42 2HB LYS 42 -9.370 -8.686 4.249 329 HB3 LYS 42 1HB LYS 42 -9.174 -8.082 2.604 330 HG2 LYS 42 2HG LYS 42 -11.619 -7.798 2.413 331 HG3 LYS 42 1HG LYS 42 -11.816 -8.403 4.058 332 HD2 LYS 42 2HD LYS 42 -11.850 -5.987 4.160 333 HD3 LYS 42 1HD LYS 42 -10.321 -6.534 4.846 334 HE2 LYS 42 2HE LYS 42 -9.083 -5.834 2.996 335 HE3 LYS 42 1HE LYS 42 -10.474 -5.900 1.914 336 HZ1 LYS 42 1HZ LYS 42 -11.174 -4.077 3.825 337 HZ2 LYS 42 2HZ LYS 42 -10.651 -3.727 2.247 338 HZ3 LYS 42 3HZ LYS 42 -9.537 -3.741 3.530 339 H GLU 43 H GLU 43 -12.417 -10.264 1.717 340 HA GLU 43 HA GLU 43 -11.493 -10.443 -1.061 341 HB2 GLU 43 2HB GLU 43 -14.283 -10.360 0.102 342 HB3 GLU 43 1HB GLU 43 -13.900 -10.693 -1.584 343 HG2 GLU 43 2HG GLU 43 -12.549 -12.651 -0.864 344 HG3 GLU 43 1HG GLU 43 -13.021 -12.339 0.807 345 H ARG 44 H ARG 44 -11.024 -8.620 -2.170 346 HA ARG 44 HA ARG 44 -12.019 -6.016 -1.294 347 HB2 ARG 44 2HB ARG 44 -10.810 -6.186 -3.985 348 HB3 ARG 44 1HB ARG 44 -10.379 -5.152 -2.622 349 HG2 ARG 44 2HG ARG 44 -8.509 -6.557 -2.783 350 HG3 ARG 44 1HG ARG 44 -9.475 -7.370 -1.552 351 HD2 ARG 44 2HD ARG 44 -10.521 -8.438 -3.844 352 HD3 ARG 44 1HD ARG 44 -8.832 -8.220 -4.304 353 HE ARG 44 HE ARG 44 -8.492 -9.431 -1.932 354 HH11 ARG 44 1HH1 ARG 44 -8.685 -11.624 -1.452 355 HH12 ARG 44 2HH1 ARG 44 -9.737 -12.618 -2.404 356 HH21 ARG 44 1HH2 ARG 44 -10.755 -10.033 -4.474 357 HH22 ARG 44 2HH2 ARG 44 -10.907 -11.719 -4.109 358 H ALA 45 H ALA 45 -13.636 -4.808 -2.313 359 HA ALA 45 HA ALA 45 -15.201 -6.263 -4.415 360 HB1 ALA 45 1HB ALA 45 -16.664 -6.253 -2.621 361 HB2 ALA 45 2HB ALA 45 -17.077 -4.706 -3.360 362 HB3 ALA 45 3HB ALA 45 -16.002 -4.757 -1.961 363 H GLY 46 H GLY 46 -14.233 -3.075 -3.199 364 HA2 GLY 46 2HA GLY 46 -14.330 -2.049 -5.976 365 HA3 GLY 46 1HA GLY 46 -15.362 -1.237 -4.801 366 H LEU 47 H LEU 47 -13.431 0.294 -5.971 367 HA LEU 47 HA LEU 47 -11.687 0.873 -3.665 368 HB2 LEU 47 2HB LEU 47 -9.994 1.084 -5.948 369 HB3 LEU 47 1HB LEU 47 -9.804 0.023 -4.551 370 HG LEU 47 HG LEU 47 -11.218 -1.680 -5.640 371 HD11 LEU 47 1HD1 LEU 47 -11.288 -0.798 -8.315 372 HD12 LEU 47 2HD1 LEU 47 -11.873 0.560 -7.358 373 HD13 LEU 47 3HD1 LEU 47 -12.667 -1.009 -7.237 374 HD21 LEU 47 1HD2 LEU 47 -9.467 -2.495 -6.822 375 HD22 LEU 47 2HD2 LEU 47 -8.638 -1.046 -6.256 376 HD23 LEU 47 3HD2 LEU 47 -9.381 -1.068 -7.851 377 H ALA 48 H ALA 48 -11.497 3.049 -3.420 378 HA ALA 48 HA ALA 48 -12.287 4.778 -5.731 379 HB1 ALA 48 1HB ALA 48 -13.409 4.752 -3.248 380 HB2 ALA 48 2HB ALA 48 -13.347 6.190 -4.268 381 HB3 ALA 48 3HB ALA 48 -12.139 5.951 -3.007 382 H PHE 49 H PHE 49 -10.744 6.262 -6.470 383 HA PHE 49 HA PHE 49 -8.307 6.646 -4.799 384 HB2 PHE 49 2HB PHE 49 -8.535 5.211 -7.359 385 HB3 PHE 49 1HB PHE 49 -7.255 6.421 -7.306 386 HD1 PHE 49 1HD PHE 49 -5.258 6.044 -6.082 387 HD2 PHE 49 2HD PHE 49 -8.633 3.446 -5.556 388 HE1 PHE 49 1HE PHE 49 -3.843 4.474 -4.788 389 HE2 PHE 49 2HE PHE 49 -7.223 1.874 -4.264 390 HZ PHE 49 HZ PHE 49 -4.823 2.388 -3.882 391 H GLU 50 H GLU 50 -7.782 8.781 -4.755 392 HA GLU 50 HA GLU 50 -8.320 10.374 -7.212 393 HB2 GLU 50 2HB GLU 50 -8.860 11.319 -4.390 394 HB3 GLU 50 1HB GLU 50 -9.046 12.289 -5.844 395 HG2 GLU 50 2HG GLU 50 -10.558 9.747 -5.186 396 HG3 GLU 50 1HG GLU 50 -11.214 11.384 -5.125 397 HA PRO 51 HA PRO 51 -4.023 11.416 -6.389 398 HB2 PRO 51 2HB PRO 51 -3.584 13.191 -8.345 399 HB3 PRO 51 1HB PRO 51 -3.950 11.494 -8.720 400 HG2 PRO 51 2HG PRO 51 -5.750 13.876 -8.788 401 HG3 PRO 51 1HG PRO 51 -5.599 12.545 -9.950 402 HD2 PRO 51 2HD PRO 51 -7.566 12.675 -8.004 403 HD3 PRO 51 1HD PRO 51 -6.989 11.169 -8.755 404 H PHE 52 H PHE 52 -2.852 12.941 -5.176 405 HA PHE 52 HA PHE 52 -3.011 15.693 -5.119 406 HB2 PHE 52 2HB PHE 52 -4.513 15.938 -2.962 407 HB3 PHE 52 1HB PHE 52 -5.249 15.949 -4.558 408 HD1 PHE 52 1HD PHE 52 -3.922 12.738 -3.345 409 HD2 PHE 52 2HD PHE 52 -7.395 15.269 -3.458 410 HE1 PHE 52 1HE PHE 52 -5.333 10.819 -2.728 411 HE2 PHE 52 2HE PHE 52 -8.803 13.332 -2.808 412 HZ PHE 52 HZ PHE 52 -7.758 11.106 -2.441 413 H VAL 53 H VAL 53 -2.477 16.637 -2.822 414 HA VAL 53 HA VAL 53 -0.389 14.913 -1.638 415 HB VAL 53 HB VAL 53 -1.090 17.806 -1.103 416 HG11 VAL 53 1HG1 VAL 53 1.635 16.825 -0.597 417 HG12 VAL 53 2HG1 VAL 53 0.410 16.120 0.457 418 HG13 VAL 53 3HG1 VAL 53 0.616 17.869 0.392 419 HG21 VAL 53 1HG2 VAL 53 0.347 16.493 -3.268 420 HG22 VAL 53 2HG2 VAL 53 1.369 17.652 -2.415 421 HG23 VAL 53 3HG2 VAL 53 -0.158 18.177 -3.126 422 H GLY 54 H GLY 54 -0.544 14.184 0.557 423 HA2 GLY 54 2HA GLY 54 -1.698 13.644 2.559 424 HA3 GLY 54 1HA GLY 54 -2.584 15.171 2.367 425 H GLY 55 H GLY 55 -2.272 12.809 -0.099 426 HA2 GLY 55 2HA GLY 55 -5.050 12.740 -0.703 427 HA3 GLY 55 1HA GLY 55 -3.795 11.718 -1.395 428 H ARG 56 H ARG 56 -6.053 10.440 -1.188 429 HA ARG 56 HA ARG 56 -5.539 8.554 1.032 430 HB2 ARG 56 2HB ARG 56 -8.175 9.988 0.646 431 HB3 ARG 56 1HB ARG 56 -7.965 8.574 1.676 432 HG2 ARG 56 2HG ARG 56 -6.209 9.835 2.947 433 HG3 ARG 56 1HG ARG 56 -6.598 11.261 1.986 434 HD2 ARG 56 2HD ARG 56 -8.987 11.033 2.754 435 HD3 ARG 56 1HD ARG 56 -8.452 9.763 3.853 436 HE ARG 56 HE ARG 56 -6.814 12.032 4.311 437 HH11 ARG 56 1HH1 ARG 56 -7.280 13.393 6.054 438 HH12 ARG 56 2HH1 ARG 56 -8.873 13.392 6.734 439 HH21 ARG 56 1HH2 ARG 56 -10.095 11.000 4.541 440 HH22 ARG 56 2HH2 ARG 56 -10.467 12.038 5.877 441 H TYR 57 H TYR 57 -6.211 6.477 0.582 442 HA TYR 57 HA TYR 57 -7.590 6.031 -2.032 443 HB2 TYR 57 2HB TYR 57 -5.533 4.230 -0.717 444 HB3 TYR 57 1HB TYR 57 -6.316 3.955 -2.266 445 HD1 TYR 57 1HD TYR 57 -6.202 6.619 -3.575 446 HD2 TYR 57 2HD TYR 57 -3.275 4.600 -1.150 447 HE1 TYR 57 1HE TYR 57 -4.408 7.912 -4.665 448 HE2 TYR 57 2HE TYR 57 -1.478 5.894 -2.260 449 HH TYR 57 HH TYR 57 -1.098 7.795 -3.529 450 H TYR 58 H TYR 58 -9.310 4.573 -1.977 451 HA TYR 58 HA TYR 58 -9.965 3.480 0.733 452 HB2 TYR 58 2HB TYR 58 -11.959 4.392 -1.341 453 HB3 TYR 58 1HB TYR 58 -12.254 4.010 0.355 454 HD1 TYR 58 1HD TYR 58 -12.187 5.709 1.968 455 HD2 TYR 58 2HD TYR 58 -10.238 6.297 -1.814 456 HE1 TYR 58 1HE TYR 58 -11.677 8.053 2.592 457 HE2 TYR 58 2HE TYR 58 -9.728 8.633 -1.195 458 HH TYR 58 HH TYR 58 -9.958 9.798 1.940 459 H GLU 59 H GLU 59 -10.795 1.435 0.860 460 HA GLU 59 HA GLU 59 -11.060 -0.101 -1.695 461 HB2 GLU 59 2HB GLU 59 -8.983 -0.686 -0.402 462 HB3 GLU 59 1HB GLU 59 -10.014 -1.162 0.949 463 HG2 GLU 59 2HG GLU 59 -11.163 -2.792 -0.548 464 HG3 GLU 59 1HG GLU 59 -10.035 -2.364 -1.835 465 H TRP 60 H TRP 60 -12.799 -1.534 -1.771 466 HA TRP 60 HA TRP 60 -14.794 -1.197 0.424 467 HB2 TRP 60 2HB TRP 60 -14.917 -1.436 -2.490 468 HB3 TRP 60 1HB TRP 60 -16.058 -2.496 -1.668 469 HD1 TRP 60 HD TRP 60 -17.458 -1.097 0.416 470 HE1 TRP 60 1HE TRP 60 -18.616 1.196 0.160 471 HE3 TRP 60 3HE TRP 60 -14.995 0.688 -3.686 472 HZ2 TRP 60 2HZ TRP 60 -18.495 3.494 -1.557 473 HZ3 TRP 60 3HZ TRP 60 -15.529 2.921 -4.608 474 HH2 TRP 60 HH TRP 60 -17.274 4.324 -3.553 475 H ASP 61 H ASP 61 -15.291 -2.953 1.669 476 HA ASP 61 HA ASP 61 -14.274 -5.624 0.750 477 HB2 ASP 61 2HB ASP 61 -13.266 -4.739 2.868 478 HB3 ASP 61 1HB ASP 61 -14.876 -4.745 3.581 479 H ILE 62 H ILE 62 -15.767 -7.260 0.601 480 HA ILE 62 HA ILE 62 -18.501 -6.717 0.313 481 HB ILE 62 HB ILE 62 -18.783 -9.240 0.660 482 HG12 ILE 62 2HG1 ILE 62 -16.533 -10.450 0.496 483 HG13 ILE 62 1HG1 ILE 62 -15.808 -8.953 1.048 484 HG21 ILE 62 1HG2 ILE 62 -18.506 -8.238 -1.543 485 HG22 ILE 62 2HG2 ILE 62 -17.586 -9.740 -1.456 486 HG23 ILE 62 3HG2 ILE 62 -16.757 -8.189 -1.322 487 HD11 ILE 62 1HD1 ILE 62 -16.805 -10.966 2.674 488 HD12 ILE 62 2HD1 ILE 62 -18.073 -9.746 2.708 489 HD13 ILE 62 3HD1 ILE 62 -16.430 -9.322 3.183 490 H ASP 63 H ASP 63 -16.689 -7.420 3.223 491 HA ASP 63 HA ASP 63 -19.239 -7.480 4.776 492 HB2 ASP 63 2HB ASP 63 -16.405 -8.280 5.483 493 HB3 ASP 63 1HB ASP 63 -17.696 -8.165 6.679 494 H GLY 64 H GLY 64 -16.458 -5.575 4.033 495 HA2 GLY 64 2HA GLY 64 -17.163 -3.669 6.215 496 HA3 GLY 64 1HA GLY 64 -15.567 -3.769 5.478 497 H THR 65 H THR 65 -17.949 -1.730 5.650 498 HA THR 65 HA THR 65 -18.813 -1.120 3.024 499 HB THR 65 HB THR 65 -18.214 1.003 5.056 500 HG1 THR 65 1HG THR 65 -20.527 -0.575 5.201 501 HG21 THR 65 1HG2 THR 65 -20.853 0.761 3.772 502 HG22 THR 65 2HG2 THR 65 -19.519 1.015 2.648 503 HG23 THR 65 3HG2 THR 65 -19.812 2.174 3.945 504 H GLU 66 H GLU 66 -17.836 1.700 3.066 505 HA GLU 66 HA GLU 66 -15.290 1.205 1.627 506 HB2 GLU 66 2HB GLU 66 -17.277 2.698 0.799 507 HB3 GLU 66 1HB GLU 66 -16.621 3.880 1.914 508 HG2 GLU 66 2HG GLU 66 -14.412 3.635 0.816 509 HG3 GLU 66 1HG GLU 66 -15.158 2.575 -0.375 510 H ILE 67 H ILE 67 -13.351 1.712 2.577 511 HA ILE 67 HA ILE 67 -13.314 3.760 4.729 512 HB ILE 67 HB ILE 67 -12.068 1.026 5.112 513 HG12 ILE 67 2HG1 ILE 67 -14.617 2.179 6.269 514 HG13 ILE 67 1HG1 ILE 67 -14.518 0.840 5.125 515 HG21 ILE 67 1HG2 ILE 67 -11.662 3.530 6.367 516 HG22 ILE 67 2HG2 ILE 67 -11.057 1.962 6.894 517 HG23 ILE 67 3HG2 ILE 67 -12.604 2.560 7.492 518 HD11 ILE 67 1HD1 ILE 67 -13.912 0.892 8.033 519 HD12 ILE 67 2HD1 ILE 67 -12.840 -0.082 7.025 520 HD13 ILE 67 3HD1 ILE 67 -14.573 -0.410 7.044 521 H VAL 68 H VAL 68 -11.196 4.671 5.077 522 HA VAL 68 HA VAL 68 -9.403 4.349 2.744 523 HB VAL 68 HB VAL 68 -9.997 6.637 3.546 524 HG11 VAL 68 1HG1 VAL 68 -8.220 6.400 5.899 525 HG12 VAL 68 2HG1 VAL 68 -9.770 5.572 6.047 526 HG13 VAL 68 3HG1 VAL 68 -9.723 7.303 5.710 527 HG21 VAL 68 1HG2 VAL 68 -7.870 6.305 2.379 528 HG22 VAL 68 2HG2 VAL 68 -7.091 5.828 3.889 529 HG23 VAL 68 3HG2 VAL 68 -7.654 7.486 3.671 530 H TRP 69 H TRP 69 -7.618 3.064 2.887 531 HA TRP 69 HA TRP 69 -6.809 2.153 5.617 532 HB2 TRP 69 2HB TRP 69 -6.257 0.083 4.724 533 HB3 TRP 69 1HB TRP 69 -7.598 0.541 3.679 534 HD1 TRP 69 HD TRP 69 -3.779 0.309 3.737 535 HE1 TRP 69 1HE TRP 69 -2.916 0.318 1.315 536 HE3 TRP 69 3HE TRP 69 -8.144 1.204 1.237 537 HZ2 TRP 69 2HZ TRP 69 -3.927 0.633 -1.328 538 HZ3 TRP 69 3HZ TRP 69 -8.158 1.339 -1.238 539 HH2 TRP 69 HH TRP 69 -6.058 1.053 -2.517 540 H GLY 70 H GLY 70 -5.849 4.401 3.440 541 HA2 GLY 70 2HA GLY 70 -3.113 4.366 4.483 542 HA3 GLY 70 1HA GLY 70 -3.222 4.077 2.750 543 H ARG 71 H ARG 71 -1.836 6.233 3.247 544 HA ARG 71 HA ARG 71 -3.651 8.466 2.518 545 HB2 ARG 71 2HB ARG 71 -2.705 8.270 5.099 546 HB3 ARG 71 1HB ARG 71 -1.476 9.271 4.329 547 HG2 ARG 71 2HG ARG 71 -3.304 10.734 3.434 548 HG3 ARG 71 1HG ARG 71 -4.454 9.801 4.392 549 HD2 ARG 71 2HD ARG 71 -3.858 11.737 5.694 550 HD3 ARG 71 1HD ARG 71 -3.057 10.349 6.430 551 HE ARG 71 HE ARG 71 -1.253 11.464 4.553 552 HH11 ARG 71 1HH1 ARG 71 0.376 12.856 5.273 553 HH12 ARG 71 2HH1 ARG 71 0.197 13.663 6.795 554 HH21 ARG 71 1HH2 ARG 71 -2.895 12.254 7.481 555 HH22 ARG 71 2HH2 ARG 71 -1.654 13.322 8.045 556 H ILE 72 H ILE 72 -2.016 10.450 2.044 557 HA ILE 72 HA ILE 72 0.361 9.370 0.614 558 HB ILE 72 HB ILE 72 -1.801 11.160 -0.462 559 HG12 ILE 72 2HG1 ILE 72 -1.360 9.620 -2.473 560 HG13 ILE 72 1HG1 ILE 72 -0.405 8.637 -1.365 561 HG21 ILE 72 1HG2 ILE 72 -0.210 11.554 -2.408 562 HG22 ILE 72 2HG2 ILE 72 1.079 10.997 -1.345 563 HG23 ILE 72 3HG2 ILE 72 0.153 12.442 -0.929 564 HD11 ILE 72 1HD1 ILE 72 -3.250 8.682 -1.699 565 HD12 ILE 72 2HD1 ILE 72 -2.878 9.235 -0.070 566 HD13 ILE 72 3HD1 ILE 72 -2.293 7.670 -0.618 567 H LEU 73 H LEU 73 2.015 11.115 0.204 568 HA LEU 73 HA LEU 73 1.846 13.246 2.296 569 HB2 LEU 73 2HB LEU 73 4.146 11.599 1.267 570 HB3 LEU 73 1HB LEU 73 4.429 13.156 2.042 571 HG LEU 73 HG LEU 73 2.620 11.190 3.399 572 HD11 LEU 73 1HD1 LEU 73 5.639 11.125 3.644 573 HD12 LEU 73 2HD1 LEU 73 4.707 9.955 2.711 574 HD13 LEU 73 3HD1 LEU 73 4.482 10.070 4.455 575 HD21 LEU 73 1HD2 LEU 73 3.688 12.276 5.401 576 HD22 LEU 73 2HD2 LEU 73 2.848 13.417 4.352 577 HD23 LEU 73 3HD2 LEU 73 4.607 13.301 4.300 578 H GLU 74 H GLU 74 3.114 12.480 -0.931 579 HA GLU 74 HA GLU 74 2.297 14.947 -2.116 580 HB2 GLU 74 2HB GLU 74 4.132 15.834 -0.623 581 HB3 GLU 74 1HB GLU 74 5.270 14.801 -1.491 582 HG2 GLU 74 2HG GLU 74 4.629 15.931 -3.614 583 HG3 GLU 74 1HG GLU 74 3.576 17.008 -2.697 584 H TRP 75 H TRP 75 2.936 14.987 -4.400 585 HA TRP 75 HA TRP 75 4.018 12.357 -5.314 586 HB2 TRP 75 2HB TRP 75 2.732 12.720 -7.380 587 HB3 TRP 75 1HB TRP 75 1.675 12.791 -5.967 588 HD1 TRP 75 HD TRP 75 0.929 15.255 -5.124 589 HE1 TRP 75 1HE TRP 75 0.618 17.448 -6.443 590 HE3 TRP 75 3HE TRP 75 3.545 14.115 -9.359 591 HZ2 TRP 75 2HZ TRP 75 1.378 18.570 -8.962 592 HZ3 TRP 75 3HZ TRP 75 3.735 15.763 -11.200 593 HH2 TRP 75 HH TRP 75 2.656 17.987 -11.008 594 H ASP 76 H ASP 76 5.883 12.374 -6.489 595 HA ASP 76 HA ASP 76 6.980 15.022 -7.284 596 HB2 ASP 76 2HB ASP 76 8.190 13.090 -5.852 597 HB3 ASP 76 1HB ASP 76 8.649 12.582 -7.478 598 HA PRO 77 HA PRO 77 5.633 13.882 -11.435 599 HB2 PRO 77 2HB PRO 77 7.607 15.771 -12.479 600 HB3 PRO 77 1HB PRO 77 5.846 15.791 -12.606 601 HG2 PRO 77 2HG PRO 77 7.400 17.426 -10.979 602 HG3 PRO 77 1HG PRO 77 5.648 17.211 -10.901 603 HD2 PRO 77 2HD PRO 77 7.664 16.309 -9.019 604 HD3 PRO 77 1HD PRO 77 5.897 16.250 -8.865 605 HA PRO 78 HA PRO 78 10.233 12.915 -13.042 606 HB2 PRO 78 2HB PRO 78 11.256 12.308 -10.288 607 HB3 PRO 78 1HB PRO 78 12.126 12.927 -11.703 608 HG2 PRO 78 2HG PRO 78 11.423 14.513 -9.676 609 HG3 PRO 78 1HG PRO 78 11.440 15.081 -11.354 610 HD2 PRO 78 2HD PRO 78 9.121 14.486 -9.601 611 HD3 PRO 78 1HD PRO 78 9.231 15.581 -10.990 612 H HIS 79 H HIS 79 10.093 11.090 -9.992 613 HA HIS 79 HA HIS 79 8.310 9.067 -10.868 614 HB2 HIS 79 2HB HIS 79 10.036 7.279 -11.232 615 HB3 HIS 79 1HB HIS 79 10.048 8.519 -12.481 616 HD1 HIS 79 1HD HIS 79 11.625 8.681 -9.014 617 HD2 HIS 79 2HD HIS 79 12.752 8.808 -13.028 618 HE1 HIS 79 1HE HIS 79 14.103 9.213 -9.048 619 HE2 HIS 79 2HE HIS 79 14.799 9.288 -11.485 620 H ARG 80 H ARG 80 8.762 10.645 -8.568 621 HA ARG 80 HA ARG 80 9.439 8.504 -6.597 622 HB2 ARG 80 2HB ARG 80 11.355 10.015 -6.653 623 HB3 ARG 80 1HB ARG 80 10.293 11.410 -6.451 624 HG2 ARG 80 2HG ARG 80 9.587 10.585 -4.248 625 HG3 ARG 80 1HG ARG 80 10.591 9.154 -4.451 626 HD2 ARG 80 2HD ARG 80 12.581 10.625 -4.651 627 HD3 ARG 80 1HD ARG 80 11.545 12.007 -4.316 628 HE ARG 80 HE ARG 80 12.422 9.998 -2.361 629 HH11 ARG 80 1HH1 ARG 80 11.858 10.470 -0.224 630 HH12 ARG 80 2HH1 ARG 80 10.712 11.726 0.099 631 HH21 ARG 80 1HH2 ARG 80 10.232 12.510 -3.245 632 HH22 ARG 80 2HH2 ARG 80 9.789 12.882 -1.611 633 H LEU 81 H LEU 81 8.015 8.364 -4.917 634 HA LEU 81 HA LEU 81 6.127 10.596 -4.442 635 HB2 LEU 81 2HB LEU 81 5.289 7.777 -5.137 636 HB3 LEU 81 1HB LEU 81 4.208 8.966 -4.422 637 HG LEU 81 HG LEU 81 5.280 10.361 -6.532 638 HD11 LEU 81 1HD1 LEU 81 4.649 7.635 -7.622 639 HD12 LEU 81 2HD1 LEU 81 6.296 8.074 -7.171 640 HD13 LEU 81 3HD1 LEU 81 5.454 8.981 -8.428 641 HD21 LEU 81 1HD2 LEU 81 3.060 9.584 -7.686 642 HD22 LEU 81 2HD2 LEU 81 2.976 10.524 -6.198 643 HD23 LEU 81 3HD2 LEU 81 2.761 8.778 -6.149 644 H ALA 82 H ALA 82 5.906 10.890 -2.301 645 HA ALA 82 HA ALA 82 6.637 8.636 -0.474 646 HB1 ALA 82 1HB ALA 82 6.452 11.618 0.096 647 HB2 ALA 82 2HB ALA 82 7.953 10.736 -0.185 648 HB3 ALA 82 3HB ALA 82 6.974 10.380 1.239 649 H MET 83 H MET 83 5.032 8.053 1.155 650 HA MET 83 HA MET 83 2.505 9.585 1.003 651 HB2 MET 83 2HB MET 83 1.339 7.237 0.907 652 HB3 MET 83 1HB MET 83 1.919 7.992 -0.578 653 HG2 MET 83 2HG MET 83 3.980 6.696 -0.489 654 HG3 MET 83 1HG MET 83 3.520 6.016 1.072 655 HE1 MET 83 1HE MET 83 1.908 5.098 -3.088 656 HE2 MET 83 2HE MET 83 3.117 6.277 -2.588 657 HE3 MET 83 3HE MET 83 1.407 6.619 -2.336 658 H THR 84 H THR 84 1.140 9.418 2.784 659 HA THR 84 HA THR 84 2.367 8.122 5.177 660 HB THR 84 HB THR 84 0.438 10.416 4.813 661 HG1 THR 84 1HG THR 84 2.012 11.495 5.753 662 HG21 THR 84 1HG2 THR 84 0.236 10.329 7.363 663 HG22 THR 84 2HG2 THR 84 0.826 8.672 7.249 664 HG23 THR 84 3HG2 THR 84 -0.688 9.123 6.467 665 H TRP 85 H TRP 85 0.781 6.937 6.620 666 HA TRP 85 HA TRP 85 -1.323 5.657 4.929 667 HB2 TRP 85 2HB TRP 85 0.451 4.673 7.119 668 HB3 TRP 85 1HB TRP 85 -1.145 3.939 6.954 669 HD1 TRP 85 HD TRP 85 0.627 5.185 3.839 670 HE1 TRP 85 1HE TRP 85 1.307 3.165 2.391 671 HE3 TRP 85 3HE TRP 85 -0.447 1.378 7.071 672 HZ2 TRP 85 2HZ TRP 85 1.387 0.312 2.577 673 HZ3 TRP 85 3HZ TRP 85 -0.059 -0.978 6.410 674 HH2 TRP 85 HH TRP 85 0.856 -1.516 4.168 675 H ARG 86 H ARG 86 -3.454 5.950 5.482 676 HA ARG 86 HA ARG 86 -4.003 7.084 8.205 677 HB2 ARG 86 2HB ARG 86 -4.561 8.631 6.353 678 HB3 ARG 86 1HB ARG 86 -5.622 7.406 5.659 679 HG2 ARG 86 2HG ARG 86 -6.959 7.417 7.763 680 HG3 ARG 86 1HG ARG 86 -5.927 8.704 8.385 681 HD2 ARG 86 2HD ARG 86 -7.518 8.900 5.813 682 HD3 ARG 86 1HD ARG 86 -8.064 9.537 7.363 683 HE ARG 86 HE ARG 86 -5.948 10.680 5.679 684 HH11 ARG 86 1HH1 ARG 86 -5.164 12.676 6.404 685 HH12 ARG 86 2HH1 ARG 86 -5.550 13.211 8.006 686 HH21 ARG 86 1HH2 ARG 86 -7.426 10.402 8.781 687 HH22 ARG 86 2HH2 ARG 86 -6.830 11.924 9.350 688 H ILE 87 H ILE 87 -4.454 5.195 9.340 689 HA ILE 87 HA ILE 87 -6.987 3.856 8.619 690 HB ILE 87 HB ILE 87 -5.150 2.498 7.559 691 HG12 ILE 87 2HG1 ILE 87 -6.300 0.910 9.837 692 HG13 ILE 87 1HG1 ILE 87 -7.398 1.641 8.666 693 HG21 ILE 87 1HG2 ILE 87 -3.575 3.068 9.553 694 HG22 ILE 87 2HG2 ILE 87 -3.500 1.445 8.868 695 HG23 ILE 87 3HG2 ILE 87 -4.381 1.728 10.369 696 HD11 ILE 87 1HD1 ILE 87 -6.373 -0.794 8.282 697 HD12 ILE 87 2HD1 ILE 87 -5.045 0.144 7.601 698 HD13 ILE 87 3HD1 ILE 87 -6.671 0.304 6.939 699 H ASP 88 H ASP 88 -7.912 2.699 10.464 700 HA ASP 88 HA ASP 88 -6.745 3.619 13.056 701 HB2 ASP 88 2HB ASP 88 -8.965 4.543 12.631 702 HB3 ASP 88 1HB ASP 88 -9.609 2.920 12.402 703 H GLY 89 H GLY 89 -7.483 2.102 14.911 704 HA2 GLY 89 2HA GLY 89 -6.232 -0.418 14.565 705 HA3 GLY 89 1HA GLY 89 -7.296 -0.012 15.911 706 H HIS 90 H HIS 90 -9.658 0.484 14.286 707 HA HIS 90 HA HIS 90 -10.281 -2.353 13.601 708 HB2 HIS 90 2HB HIS 90 -11.642 -0.415 15.158 709 HB3 HIS 90 1HB HIS 90 -12.618 -0.673 13.716 710 HD1 HIS 90 1HD HIS 90 -12.521 -1.931 16.945 711 HD2 HIS 90 2HD HIS 90 -12.443 -3.811 13.222 712 HE1 HIS 90 1HE HIS 90 -13.271 -4.322 17.334 713 HE2 HIS 90 2HE HIS 90 -13.229 -5.475 15.074 714 H TRP 91 H TRP 91 -8.907 -0.636 11.713 715 HA TRP 91 HA TRP 91 -9.036 -0.021 9.454 716 HB2 TRP 91 2HB TRP 91 -11.388 -1.927 9.619 717 HB3 TRP 91 1HB TRP 91 -10.801 -1.231 8.113 718 HD1 TRP 91 HD TRP 91 -8.230 -1.810 7.437 719 HE1 TRP 91 1HE TRP 91 -6.857 -3.942 7.887 720 HE3 TRP 91 3HE TRP 91 -10.964 -3.841 11.230 721 HZ2 TRP 91 2HZ TRP 91 -6.922 -6.211 9.626 722 HZ3 TRP 91 3HZ TRP 91 -10.297 -5.988 12.264 723 HH2 TRP 91 HH TRP 91 -8.275 -7.179 11.467 724 H GLN 92 H GLN 92 -10.321 1.702 11.396 725 HA GLN 92 HA GLN 92 -12.587 2.777 9.761 726 HB2 GLN 92 2HB GLN 92 -11.973 3.190 12.704 727 HB3 GLN 92 1HB GLN 92 -13.320 3.924 11.832 728 HG2 GLN 92 2HG GLN 92 -14.205 1.677 11.306 729 HG3 GLN 92 1HG GLN 92 -12.859 0.955 12.179 730 HE21 GLN 92 1HE2 GLN 92 -15.562 0.497 13.003 731 HE22 GLN 92 2HE2 GLN 92 -15.797 1.246 14.507 732 H SER 93 H SER 93 -12.687 5.167 9.666 733 HA SER 93 HA SER 93 -9.943 6.310 9.528 734 HB2 SER 93 2HB SER 93 -11.342 6.405 7.477 735 HB3 SER 93 1HB SER 93 -12.549 7.340 8.359 736 HG SER 93 HG SER 93 -10.915 8.916 8.716 737 H VAL 94 H VAL 94 -9.390 8.111 10.742 738 HA VAL 94 HA VAL 94 -11.482 9.154 12.614 739 HB VAL 94 HB VAL 94 -9.177 9.738 13.904 740 HG11 VAL 94 1HG1 VAL 94 -10.939 8.591 15.020 741 HG12 VAL 94 2HG1 VAL 94 -9.553 7.504 15.114 742 HG13 VAL 94 3HG1 VAL 94 -10.829 7.207 13.933 743 HG21 VAL 94 1HG2 VAL 94 -8.611 7.031 12.688 744 HG22 VAL 94 2HG2 VAL 94 -7.524 8.058 13.623 745 HG23 VAL 94 3HG2 VAL 94 -7.968 8.511 11.977 746 HA PRO 95 HA PRO 95 -10.904 13.232 11.070 747 HB2 PRO 95 2HB PRO 95 -10.411 14.598 13.489 748 HB3 PRO 95 1HB PRO 95 -11.996 14.312 12.751 749 HG2 PRO 95 2HG PRO 95 -10.657 12.882 14.964 750 HG3 PRO 95 1HG PRO 95 -12.381 13.150 14.665 751 HD2 PRO 95 2HD PRO 95 -11.206 10.737 14.251 752 HD3 PRO 95 1HD PRO 95 -12.565 11.311 13.257 753 H ASP 96 H ASP 96 -8.531 12.027 13.367 754 HA ASP 96 HA ASP 96 -6.361 13.115 11.714 755 HB2 ASP 96 2HB ASP 96 -7.054 14.880 13.498 756 HB3 ASP 96 1HB ASP 96 -6.310 13.764 14.644 757 H ASP 97 H ASP 97 -4.381 11.978 12.128 758 HA ASP 97 HA ASP 97 -4.777 9.513 13.742 759 HB2 ASP 97 2HB ASP 97 -2.901 10.168 11.459 760 HB3 ASP 97 1HB ASP 97 -2.831 8.673 12.391 761 H ASP 98 H ASP 98 -3.827 9.568 15.698 762 HA ASP 98 HA ASP 98 -1.592 11.403 16.241 763 HB2 ASP 98 2HB ASP 98 -3.098 9.426 17.967 764 HB3 ASP 98 1HB ASP 98 -1.818 10.481 18.560 765 H ARG 99 H ARG 99 -2.182 8.194 15.322 766 HA ARG 99 HA ARG 99 0.596 7.370 15.988 767 HB2 ARG 99 2HB ARG 99 -0.354 5.042 15.788 768 HB3 ARG 99 1HB ARG 99 -1.006 5.974 17.136 769 HG2 ARG 99 2HG ARG 99 -2.931 6.632 15.638 770 HG3 ARG 99 1HG ARG 99 -2.314 5.488 14.443 771 HD2 ARG 99 2HD ARG 99 -2.472 3.681 16.167 772 HD3 ARG 99 1HD ARG 99 -3.212 4.843 17.265 773 HE ARG 99 HE ARG 99 -4.565 4.588 14.674 774 HH11 ARG 99 1HH1 ARG 99 -6.682 3.803 14.806 775 HH12 ARG 99 2HH1 ARG 99 -7.239 3.091 16.283 776 HH21 ARG 99 1HH2 ARG 99 -4.234 3.560 17.949 777 HH22 ARG 99 2HH2 ARG 99 -5.853 2.954 18.062 778 H ALA 100 H ALA 100 -0.152 8.909 13.630 779 HA ALA 100 HA ALA 100 -0.214 6.972 11.415 780 HB1 ALA 100 1HB ALA 100 0.275 9.458 10.302 781 HB2 ALA 100 2HB ALA 100 -0.647 9.855 11.752 782 HB3 ALA 100 3HB ALA 100 -1.321 8.751 10.553 783 H SER 101 H SER 101 1.523 6.540 10.054 784 HA SER 101 HA SER 101 4.171 7.640 10.915 785 HB2 SER 101 2HB SER 101 5.156 5.527 10.214 786 HB3 SER 101 1HB SER 101 3.840 5.191 11.333 787 HG SER 101 HG SER 101 2.789 5.325 8.925 788 H GLU 102 H GLU 102 5.791 7.731 9.093 789 HA GLU 102 HA GLU 102 4.406 8.530 6.570 790 HB2 GLU 102 2HB GLU 102 7.117 9.355 7.647 791 HB3 GLU 102 1HB GLU 102 6.399 9.925 6.139 792 HG2 GLU 102 2HG GLU 102 4.480 10.842 7.429 793 HG3 GLU 102 1HG GLU 102 5.268 10.335 8.923 794 H ILE 103 H ILE 103 5.029 7.613 4.642 795 HA ILE 103 HA ILE 103 7.181 5.536 4.773 796 HB ILE 103 HB ILE 103 4.684 5.516 3.053 797 HG12 ILE 103 2HG1 ILE 103 5.385 3.836 5.481 798 HG13 ILE 103 1HG1 ILE 103 4.249 5.185 5.492 799 HG21 ILE 103 1HG2 ILE 103 5.924 2.966 3.363 800 HG22 ILE 103 2HG2 ILE 103 7.177 4.115 2.896 801 HG23 ILE 103 3HG2 ILE 103 5.745 3.913 1.886 802 HD11 ILE 103 1HD1 ILE 103 3.161 3.863 3.472 803 HD12 ILE 103 2HD1 ILE 103 2.791 3.414 5.137 804 HD13 ILE 103 3HD1 ILE 103 3.977 2.489 4.216 805 H GLU 104 H GLU 104 8.736 5.656 3.190 806 HA GLU 104 HA GLU 104 8.389 7.815 1.143 807 HB2 GLU 104 2HB GLU 104 10.935 6.650 2.312 808 HB3 GLU 104 1HB GLU 104 10.860 7.920 1.091 809 HG2 GLU 104 2HG GLU 104 9.569 9.335 2.680 810 HG3 GLU 104 1HG GLU 104 9.744 8.079 3.907 811 H VAL 105 H VAL 105 8.294 7.145 -0.951 812 HA VAL 105 HA VAL 105 9.474 4.496 -1.629 813 HB VAL 105 HB VAL 105 6.854 5.525 -2.738 814 HG11 VAL 105 1HG1 VAL 105 8.062 3.935 -4.167 815 HG12 VAL 105 2HG1 VAL 105 6.634 3.165 -3.475 816 HG13 VAL 105 3HG1 VAL 105 8.229 2.822 -2.810 817 HG21 VAL 105 1HG2 VAL 105 7.492 4.095 -0.233 818 HG22 VAL 105 2HG2 VAL 105 6.237 3.332 -1.211 819 HG23 VAL 105 3HG2 VAL 105 6.044 5.001 -0.673 820 H ASP 106 H ASP 106 10.734 4.554 -3.450 821 HA ASP 106 HA ASP 106 10.565 7.017 -5.145 822 HB2 ASP 106 2HB ASP 106 12.983 5.301 -4.507 823 HB3 ASP 106 1HB ASP 106 12.980 6.698 -5.587 824 H PHE 107 H PHE 107 10.221 6.684 -7.314 825 HA PHE 107 HA PHE 107 10.367 3.862 -8.276 826 HB2 PHE 107 2HB PHE 107 8.595 6.133 -9.231 827 HB3 PHE 107 1HB PHE 107 8.633 4.511 -9.901 828 HD1 PHE 107 1HD PHE 107 7.951 6.428 -6.786 829 HD2 PHE 107 2HD PHE 107 7.430 2.733 -8.906 830 HE1 PHE 107 1HE PHE 107 6.326 5.673 -5.070 831 HE2 PHE 107 2HE PHE 107 5.810 1.974 -7.190 832 HZ PHE 107 HZ PHE 107 5.257 3.444 -5.273 833 H VAL 108 H VAL 108 11.508 3.474 -10.165 834 HA VAL 108 HA VAL 108 12.741 5.833 -11.514 835 HB VAL 108 HB VAL 108 14.237 3.256 -11.246 836 HG11 VAL 108 1HG1 VAL 108 16.157 4.854 -11.317 837 HG12 VAL 108 2HG1 VAL 108 15.004 6.181 -11.461 838 HG13 VAL 108 3HG1 VAL 108 15.118 4.971 -12.739 839 HG21 VAL 108 1HG2 VAL 108 15.280 4.174 -9.166 840 HG22 VAL 108 2HG2 VAL 108 13.575 3.777 -8.954 841 HG23 VAL 108 3HG2 VAL 108 14.069 5.457 -9.164 842 HA PRO 109 HA PRO 109 10.899 3.450 -14.908 843 HB2 PRO 109 2HB PRO 109 11.272 5.271 -16.887 844 HB3 PRO 109 1HB PRO 109 10.004 5.450 -15.658 845 HG2 PRO 109 2HG PRO 109 12.646 6.787 -15.861 846 HG3 PRO 109 1HG PRO 109 11.089 7.434 -15.324 847 HD2 PRO 109 2HD PRO 109 13.112 6.632 -13.611 848 HD3 PRO 109 1HD PRO 109 11.393 6.714 -13.159 849 H ASN 110 H ASN 110 11.878 1.919 -16.119 850 HA ASN 110 HA ASN 110 14.633 2.448 -17.125 851 HB2 ASN 110 2HB ASN 110 14.370 0.688 -15.275 852 HB3 ASN 110 1HB ASN 110 13.532 -0.281 -16.485 853 HD21 ASN 110 1HD2 ASN 110 15.638 -1.655 -15.874 854 HD22 ASN 110 2HD2 ASN 110 16.975 -1.398 -16.888 855 H GLY 111 H GLY 111 15.047 1.790 -19.278 856 HA2 GLY 111 2HA GLY 111 12.782 1.793 -21.043 857 HA3 GLY 111 1HA GLY 111 14.440 1.421 -21.521 858 H SER 112 H SER 112 12.736 -0.107 -22.805 859 HA SER 112 HA SER 112 12.171 -2.346 -23.221 860 HB2 SER 112 2HB SER 112 14.581 -2.497 -22.056 861 HB3 SER 112 1HB SER 112 13.631 -3.290 -20.804 862 HG SER 112 HG SER 112 14.421 -4.226 -23.194 863 H GLY 113 H GLY 113 10.979 -0.566 -20.862 864 HA2 GLY 113 2HA GLY 113 8.997 -0.831 -19.603 865 HA3 GLY 113 1HA GLY 113 8.902 -2.496 -20.192 866 H GLY 114 H GLY 114 10.794 -0.471 -17.926 867 HA2 GLY 114 2HA GLY 114 10.651 -2.664 -15.968 868 HA3 GLY 114 1HA GLY 114 12.263 -2.162 -16.458 869 H THR 115 H THR 115 10.422 -1.897 -13.937 870 HA THR 115 HA THR 115 11.179 0.949 -13.429 871 HB THR 115 HB THR 115 8.562 -0.433 -12.895 872 HG1 THR 115 1HG THR 115 8.197 2.037 -13.411 873 HG21 THR 115 1HG2 THR 115 8.967 0.304 -10.718 874 HG22 THR 115 2HG2 THR 115 8.157 1.699 -11.429 875 HG23 THR 115 3HG2 THR 115 9.912 1.691 -11.258 876 H ARG 116 H ARG 116 12.208 1.277 -11.500 877 HA ARG 116 HA ARG 116 12.517 -1.106 -9.720 878 HB2 ARG 116 2HB ARG 116 14.618 -0.192 -10.711 879 HB3 ARG 116 1HB ARG 116 14.272 1.365 -9.956 880 HG2 ARG 116 2HG ARG 116 14.287 0.264 -7.729 881 HG3 ARG 116 1HG ARG 116 14.709 -1.261 -8.506 882 HD2 ARG 116 2HD ARG 116 16.751 -0.169 -9.445 883 HD3 ARG 116 1HD ARG 116 16.351 1.286 -8.534 884 HE ARG 116 HE ARG 116 16.503 -1.104 -6.865 885 HH11 ARG 116 1HH1 ARG 116 18.216 -1.145 -5.390 886 HH12 ARG 116 2HH1 ARG 116 19.524 -0.024 -5.571 887 HH21 ARG 116 1HH2 ARG 116 18.191 1.486 -8.394 888 HH22 ARG 116 2HH2 ARG 116 19.509 1.466 -7.272 889 H VAL 117 H VAL 117 11.565 -0.945 -7.727 890 HA VAL 117 HA VAL 117 10.806 1.794 -6.786 891 HB VAL 117 HB VAL 117 9.275 -0.776 -6.340 892 HG11 VAL 117 1HG1 VAL 117 7.547 0.709 -5.448 893 HG12 VAL 117 2HG1 VAL 117 8.553 2.116 -5.791 894 HG13 VAL 117 3HG1 VAL 117 9.056 0.952 -4.564 895 HG21 VAL 117 1HG2 VAL 117 9.166 1.326 -8.448 896 HG22 VAL 117 2HG2 VAL 117 7.625 0.738 -7.821 897 HG23 VAL 117 3HG2 VAL 117 8.769 -0.388 -8.550 898 H GLU 118 H GLU 118 11.327 2.303 -4.728 899 HA GLU 118 HA GLU 118 12.412 0.123 -2.986 900 HB2 GLU 118 2HB GLU 118 13.260 3.040 -3.100 901 HB3 GLU 118 1HB GLU 118 13.901 1.831 -1.987 902 HG2 GLU 118 2HG GLU 118 14.682 0.491 -3.931 903 HG3 GLU 118 1HG GLU 118 14.105 1.759 -5.012 904 H LEU 119 H LEU 119 10.685 -0.243 -1.624 905 HA LEU 119 HA LEU 119 9.258 2.139 -0.547 906 HB2 LEU 119 2HB LEU 119 7.974 0.324 -1.759 907 HB3 LEU 119 1HB LEU 119 8.386 -0.753 -0.432 908 HG LEU 119 HG LEU 119 7.184 1.886 0.289 909 HD11 LEU 119 1HD1 LEU 119 5.560 -0.416 -0.828 910 HD12 LEU 119 2HD1 LEU 119 5.828 1.123 -1.645 911 HD13 LEU 119 3HD1 LEU 119 4.915 1.072 -0.138 912 HD21 LEU 119 1HD2 LEU 119 6.598 0.786 2.211 913 HD22 LEU 119 2HD2 LEU 119 7.866 -0.332 1.718 914 HD23 LEU 119 3HD2 LEU 119 6.181 -0.695 1.354 915 H ALA 120 H ALA 120 9.595 2.687 1.539 916 HA ALA 120 HA ALA 120 10.533 0.568 3.425 917 HB1 ALA 120 1HB ALA 120 11.571 3.259 3.974 918 HB2 ALA 120 2HB ALA 120 12.162 2.578 2.458 919 HB3 ALA 120 3HB ALA 120 12.412 1.709 3.972 920 H HIS 121 H HIS 121 8.947 0.418 4.966 921 HA HIS 121 HA HIS 121 7.441 2.890 5.670 922 HB2 HIS 121 2HB HIS 121 5.671 1.550 6.342 923 HB3 HIS 121 1HB HIS 121 6.368 0.535 5.084 924 HD1 HIS 121 1HD HIS 121 6.244 0.891 8.855 925 HD2 HIS 121 2HD HIS 121 7.402 -1.906 5.986 926 HE1 HIS 121 1HE HIS 121 6.663 -1.283 10.102 927 HE2 HIS 121 2HE HIS 121 7.399 -2.980 8.364 928 H VAL 122 H VAL 122 7.998 3.938 7.510 929 HA VAL 122 HA VAL 122 9.495 2.394 9.587 930 HB VAL 122 HB VAL 122 10.844 4.459 9.953 931 HG11 VAL 122 1HG1 VAL 122 12.319 3.536 8.522 932 HG12 VAL 122 2HG1 VAL 122 11.403 4.133 7.138 933 HG13 VAL 122 3HG1 VAL 122 11.003 2.570 7.854 934 HG21 VAL 122 1HG2 VAL 122 10.107 5.571 7.323 935 HG22 VAL 122 2HG2 VAL 122 10.413 6.405 8.845 936 HG23 VAL 122 3HG2 VAL 122 8.827 5.699 8.530 937 H LYS 123 H LYS 123 9.423 3.304 11.734 938 HA LYS 123 HA LYS 123 8.261 4.080 13.598 939 HB2 LYS 123 2HB LYS 123 7.709 6.220 11.547 940 HB3 LYS 123 1HB LYS 123 7.058 6.327 13.182 941 HG2 LYS 123 2HG LYS 123 9.155 7.503 13.189 942 HG3 LYS 123 1HG LYS 123 9.420 5.979 14.036 943 HD2 LYS 123 2HD LYS 123 10.505 5.004 12.148 944 HD3 LYS 123 1HD LYS 123 9.970 6.303 11.080 945 HE2 LYS 123 2HE LYS 123 12.433 6.265 12.131 946 HE3 LYS 123 1HE LYS 123 11.567 7.776 11.849 947 HZ1 LYS 123 1HZ LYS 123 10.730 7.627 14.146 948 HZ2 LYS 123 2HZ LYS 123 12.422 7.761 14.070 949 HZ3 LYS 123 3HZ LYS 123 11.699 6.258 14.396 950 H LEU 124 H LEU 124 6.911 2.173 11.803 951 HA LEU 124 HA LEU 124 4.109 2.927 11.697 952 HB2 LEU 124 2HB LEU 124 5.554 1.019 10.450 953 HB3 LEU 124 1HB LEU 124 4.875 0.068 11.769 954 HG LEU 124 HG LEU 124 2.622 1.178 11.126 955 HD11 LEU 124 1HD1 LEU 124 4.250 2.567 9.384 956 HD12 LEU 124 2HD1 LEU 124 2.498 2.420 9.235 957 HD13 LEU 124 3HD1 LEU 124 3.554 1.323 8.346 958 HD21 LEU 124 1HD2 LEU 124 4.123 -0.981 9.717 959 HD22 LEU 124 2HD2 LEU 124 2.579 -0.476 9.031 960 HD23 LEU 124 3HD2 LEU 124 2.653 -1.088 10.683 961 H HIS 125 H HIS 125 6.201 1.073 13.852 962 HA HIS 125 HA HIS 125 4.436 -0.104 15.627 963 HB2 HIS 125 2HB HIS 125 6.864 -0.312 15.831 964 HB3 HIS 125 1HB HIS 125 6.970 1.372 16.332 965 HD1 HIS 125 1HD HIS 125 4.954 -1.680 17.453 966 HD2 HIS 125 2HD HIS 125 7.020 1.558 19.080 967 HE1 HIS 125 1HE HIS 125 4.788 -1.914 19.971 968 HE2 HIS 125 2HE HIS 125 6.041 0.050 20.971 969 H ARG 126 H ARG 126 4.658 3.225 14.989 970 HA ARG 126 HA ARG 126 4.061 4.427 17.442 971 HB2 ARG 126 2HB ARG 126 3.045 5.035 14.675 972 HB3 ARG 126 1HB ARG 126 2.623 6.036 16.064 973 HG2 ARG 126 2HG ARG 126 5.027 6.356 16.543 974 HG3 ARG 126 1HG ARG 126 5.433 5.413 15.116 975 HD2 ARG 126 2HD ARG 126 4.118 7.055 13.736 976 HD3 ARG 126 1HD ARG 126 3.922 8.038 15.187 977 HE ARG 126 HE ARG 126 6.708 7.451 14.735 978 HH11 ARG 126 1HH1 ARG 126 7.999 9.143 13.971 979 HH12 ARG 126 2HH1 ARG 126 7.249 10.526 13.247 980 HH21 ARG 126 1HH2 ARG 126 4.022 9.327 13.664 981 HH22 ARG 126 2HH2 ARG 126 4.998 10.631 13.073 982 H HIS 127 H HIS 127 1.940 2.434 15.429 983 HA HIS 127 HA HIS 127 -0.423 3.116 17.005 984 HB2 HIS 127 2HB HIS 127 -1.245 0.855 15.890 985 HB3 HIS 127 1HB HIS 127 -1.134 2.335 14.947 986 HD1 HIS 127 1HD HIS 127 1.843 0.222 15.950 987 HD2 HIS 127 2HD HIS 127 -0.376 1.146 12.542 988 HE1 HIS 127 1HE HIS 127 3.084 -0.770 13.981 989 HE2 HIS 127 2HE HIS 127 1.748 -0.220 11.908 990 H GLY 128 H GLY 128 2.256 1.047 17.461 991 HA2 GLY 128 2HA GLY 128 2.742 -0.105 19.493 992 HA3 GLY 128 1HA GLY 128 1.047 0.054 19.956 993 H ASP 129 H ASP 129 1.417 -2.306 20.523 994 HA ASP 129 HA ASP 129 1.765 -4.229 18.392 995 HB2 ASP 129 2HB ASP 129 1.134 -5.894 20.076 996 HB3 ASP 129 1HB ASP 129 2.267 -4.737 20.772 997 H GLY 130 H GLY 130 0.099 -5.707 17.610 998 HA2 GLY 130 2HA GLY 130 -2.200 -6.330 17.227 999 HA3 GLY 130 1HA GLY 130 -2.707 -4.804 17.968 1000 H ALA 131 H ALA 131 -0.343 -3.692 16.184 1001 HA ALA 131 HA ALA 131 -1.998 -2.581 14.143 1002 HB1 ALA 131 1HB ALA 131 1.018 -2.878 14.163 1003 HB2 ALA 131 2HB ALA 131 0.126 -1.566 14.932 1004 HB3 ALA 131 3HB ALA 131 0.082 -1.753 13.179 1005 H TRP 132 H TRP 132 0.257 -5.346 14.151 1006 HA TRP 132 HA TRP 132 0.207 -5.895 11.386 1007 HB2 TRP 132 2HB TRP 132 1.655 -7.099 13.042 1008 HB3 TRP 132 1HB TRP 132 0.225 -7.979 13.590 1009 HD1 TRP 132 HD TRP 132 -0.815 -9.779 11.982 1010 HE1 TRP 132 1HE TRP 132 0.082 -10.978 9.886 1011 HE3 TRP 132 3HE TRP 132 3.226 -6.809 10.899 1012 HZ2 TRP 132 2HZ TRP 132 2.211 -10.720 8.008 1013 HZ3 TRP 132 3HZ TRP 132 4.658 -7.322 8.950 1014 HH2 TRP 132 HH TRP 132 4.160 -9.271 7.504 1015 H ASN 133 H ASN 133 -2.145 -6.614 13.914 1016 HA ASN 133 HA ASN 133 -3.833 -8.397 12.500 1017 HB2 ASN 133 2HB ASN 133 -4.021 -7.556 14.938 1018 HB3 ASN 133 1HB ASN 133 -4.884 -6.177 14.259 1019 HD21 ASN 133 1HD2 ASN 133 -5.551 -8.677 12.183 1020 HD22 ASN 133 2HD2 ASN 133 -6.989 -9.250 12.881 1021 H ILE 134 H ILE 134 -3.721 -4.855 12.532 1022 HA ILE 134 HA ILE 134 -5.903 -4.372 10.772 1023 HB ILE 134 HB ILE 134 -3.319 -2.820 11.044 1024 HG12 ILE 134 2HG1 ILE 134 -5.946 -2.497 12.529 1025 HG13 ILE 134 1HG1 ILE 134 -4.495 -3.236 13.213 1026 HG21 ILE 134 1HG2 ILE 134 -4.840 -2.299 9.090 1027 HG22 ILE 134 2HG2 ILE 134 -4.566 -0.954 10.196 1028 HG23 ILE 134 3HG2 ILE 134 -6.074 -1.863 10.270 1029 HD11 ILE 134 1HD1 ILE 134 -4.134 -1.082 13.932 1030 HD12 ILE 134 2HD1 ILE 134 -5.060 -0.374 12.608 1031 HD13 ILE 134 3HD1 ILE 134 -3.412 -0.937 12.329 1032 H HIS 135 H HIS 135 -2.448 -4.868 10.233 1033 HA HIS 135 HA HIS 135 -2.500 -4.741 7.376 1034 HB2 HIS 135 2HB HIS 135 -0.370 -4.558 8.471 1035 HB3 HIS 135 1HB HIS 135 -0.617 -6.088 9.321 1036 HD1 HIS 135 1HD HIS 135 -1.659 -5.901 5.794 1037 HD2 HIS 135 2HD HIS 135 1.660 -7.220 7.931 1038 HE1 HIS 135 1HE HIS 135 -0.334 -7.325 4.195 1039 HE2 HIS 135 2HE HIS 135 1.721 -8.126 5.477 1040 H LYS 136 H LYS 136 -3.119 -7.325 9.696 1041 HA LYS 136 HA LYS 136 -2.943 -9.563 8.007 1042 HB2 LYS 136 2HB LYS 136 -3.459 -9.624 10.470 1043 HB3 LYS 136 1HB LYS 136 -5.100 -9.136 10.078 1044 HG2 LYS 136 2HG LYS 136 -5.328 -11.122 8.626 1045 HG3 LYS 136 1HG LYS 136 -3.710 -11.628 9.098 1046 HD2 LYS 136 2HD LYS 136 -4.468 -11.633 11.488 1047 HD3 LYS 136 1HD LYS 136 -6.107 -11.303 10.921 1048 HE2 LYS 136 2HE LYS 136 -5.822 -13.711 11.277 1049 HE3 LYS 136 1HE LYS 136 -6.029 -13.379 9.557 1050 HZ1 LYS 136 1HZ LYS 136 -3.294 -13.233 10.337 1051 HZ2 LYS 136 2HZ LYS 136 -4.019 -14.171 9.121 1052 HZ3 LYS 136 3HZ LYS 136 -3.958 -14.746 10.718 1053 H ALA 137 H ALA 137 -5.548 -7.172 8.323 1054 HA ALA 137 HA ALA 137 -7.385 -8.548 6.578 1055 HB1 ALA 137 1HB ALA 137 -8.200 -6.099 6.158 1056 HB2 ALA 137 2HB ALA 137 -7.048 -5.688 7.423 1057 HB3 ALA 137 3HB ALA 137 -8.380 -6.788 7.771 1058 H LEU 138 H LEU 138 -4.857 -6.096 6.013 1059 HA LEU 138 HA LEU 138 -5.288 -5.965 3.165 1060 HB2 LEU 138 2HB LEU 138 -2.843 -5.359 4.841 1061 HB3 LEU 138 1HB LEU 138 -2.952 -5.029 3.118 1062 HG LEU 138 HG LEU 138 -4.835 -3.921 5.221 1063 HD11 LEU 138 1HD1 LEU 138 -3.579 -1.989 5.263 1064 HD12 LEU 138 2HD1 LEU 138 -2.998 -2.207 3.611 1065 HD13 LEU 138 3HD1 LEU 138 -2.282 -3.137 4.928 1066 HD21 LEU 138 1HD2 LEU 138 -6.115 -3.834 3.300 1067 HD22 LEU 138 2HD2 LEU 138 -4.708 -3.848 2.236 1068 HD23 LEU 138 3HD2 LEU 138 -5.177 -2.360 3.060 1069 H ASP 139 H ASP 139 -3.546 -8.153 5.267 1070 HA ASP 139 HA ASP 139 -2.605 -10.246 4.838 1071 HB2 ASP 139 2HB ASP 139 -4.528 -9.841 2.728 1072 HB3 ASP 139 1HB ASP 139 -3.118 -10.695 2.103 1073 H GLY 140 H GLY 140 -0.424 -9.983 4.879 1074 HA2 GLY 140 2HA GLY 140 0.891 -9.287 2.302 1075 HA3 GLY 140 1HA GLY 140 1.470 -8.577 3.800 1076 HA PRO 141 HA PRO 141 2.301 -13.452 3.792 1077 HB2 PRO 141 2HB PRO 141 2.863 -13.581 0.869 1078 HB3 PRO 141 1HB PRO 141 2.084 -14.779 1.921 1079 HG2 PRO 141 2HG PRO 141 0.686 -13.302 0.193 1080 HG3 PRO 141 1HG PRO 141 0.032 -13.780 1.768 1081 HD2 PRO 141 2HD PRO 141 1.026 -11.110 0.878 1082 HD3 PRO 141 1HD PRO 141 -0.239 -11.507 2.062 1083 H SER 142 H SER 142 4.414 -13.773 4.394 1084 HA SER 142 HA SER 142 6.410 -11.818 3.931 1085 HB2 SER 142 2HB SER 142 6.155 -14.181 5.447 1086 HB3 SER 142 1HB SER 142 7.584 -14.412 4.443 1087 HG SER 142 HG SER 142 7.471 -13.058 6.632 1088 HA PRO 143 HA PRO 143 8.160 -15.145 0.705 1089 HB2 PRO 143 2HB PRO 143 5.484 -15.906 -0.377 1090 HB3 PRO 143 1HB PRO 143 6.944 -16.896 -0.170 1091 HG2 PRO 143 2HG PRO 143 4.873 -17.143 1.475 1092 HG3 PRO 143 1HG PRO 143 6.539 -17.264 2.066 1093 HD2 PRO 143 2HD PRO 143 4.594 -15.015 2.363 1094 HD3 PRO 143 1HD PRO 143 5.855 -15.568 3.487 1095 H GLY 144 H GLY 144 5.395 -13.004 0.330 1096 HA2 GLY 144 2HA GLY 144 6.453 -11.121 -1.319 1097 HA3 GLY 144 1HA GLY 144 6.058 -12.399 -2.468 1098 H GLU 145 H GLU 145 4.845 -9.676 -0.925 1099 HA GLU 145 HA GLU 145 2.031 -10.575 -1.105 1100 HB2 GLU 145 2HB GLU 145 2.687 -9.286 0.890 1101 HB3 GLU 145 1HB GLU 145 3.188 -7.953 -0.145 1102 HG2 GLU 145 2HG GLU 145 0.839 -7.826 -1.043 1103 HG3 GLU 145 1HG GLU 145 0.372 -9.056 0.124 1104 H THR 146 H THR 146 2.892 -7.266 -1.739 1105 HA THR 146 HA THR 146 1.318 -7.087 -4.096 1106 HB THR 146 HB THR 146 2.342 -4.908 -4.412 1107 HG1 THR 146 1HG THR 146 4.155 -4.822 -2.509 1108 HG21 THR 146 1HG2 THR 146 2.467 -4.226 -1.832 1109 HG22 THR 146 2HG2 THR 146 1.716 -5.808 -1.648 1110 HG23 THR 146 3HG2 THR 146 0.936 -4.574 -2.635 1111 H LEU 147 H LEU 147 4.836 -7.241 -3.724 1112 HA LEU 147 HA LEU 147 5.595 -7.174 -6.399 1113 HB2 LEU 147 2HB LEU 147 6.892 -8.938 -4.320 1114 HB3 LEU 147 1HB LEU 147 7.659 -8.131 -5.692 1115 HG LEU 147 HG LEU 147 6.436 -6.029 -4.414 1116 HD11 LEU 147 1HD1 LEU 147 6.024 -7.814 -2.546 1117 HD12 LEU 147 2HD1 LEU 147 6.612 -6.215 -2.097 1118 HD13 LEU 147 3HD1 LEU 147 7.733 -7.572 -2.191 1119 HD21 LEU 147 1HD2 LEU 147 8.628 -5.724 -5.151 1120 HD22 LEU 147 2HD2 LEU 147 9.216 -7.170 -4.329 1121 HD23 LEU 147 3HD2 LEU 147 8.827 -5.723 -3.400 1122 H ALA 148 H ALA 148 4.354 -9.937 -4.561 1123 HA ALA 148 HA ALA 148 4.959 -11.829 -6.662 1124 HB1 ALA 148 1HB ALA 148 2.692 -12.491 -4.920 1125 HB2 ALA 148 2HB ALA 148 4.160 -12.046 -4.044 1126 HB3 ALA 148 3HB ALA 148 4.192 -13.379 -5.200 1127 H ARG 149 H ARG 149 1.846 -10.499 -5.546 1128 HA ARG 149 HA ARG 149 0.455 -11.489 -7.882 1129 HB2 ARG 149 2HB ARG 149 -1.314 -9.753 -6.877 1130 HB3 ARG 149 1HB ARG 149 -1.026 -11.330 -6.143 1131 HG2 ARG 149 2HG ARG 149 0.113 -10.444 -4.353 1132 HG3 ARG 149 1HG ARG 149 0.762 -9.101 -5.297 1133 HD2 ARG 149 2HD ARG 149 -1.111 -7.805 -5.015 1134 HD3 ARG 149 1HD ARG 149 -2.185 -9.193 -4.841 1135 HE ARG 149 HE ARG 149 -0.518 -9.265 -2.596 1136 HH11 ARG 149 1HH1 ARG 149 -1.137 -8.299 -0.648 1137 HH12 ARG 149 2HH1 ARG 149 -2.300 -7.014 -0.664 1138 HH21 ARG 149 1HH2 ARG 149 -2.703 -7.066 -4.107 1139 HH22 ARG 149 2HH2 ARG 149 -3.186 -6.317 -2.623 1140 H PHE 150 H PHE 150 1.173 -8.141 -6.805 1141 HA PHE 150 HA PHE 150 0.114 -6.951 -9.175 1142 HB2 PHE 150 2HB PHE 150 0.323 -5.149 -7.878 1143 HB3 PHE 150 1HB PHE 150 1.327 -6.054 -6.740 1144 HD1 PHE 150 1HD PHE 150 3.796 -6.384 -7.399 1145 HD2 PHE 150 2HD PHE 150 1.266 -3.421 -9.160 1146 HE1 PHE 150 1HE PHE 150 5.794 -5.157 -8.129 1147 HE2 PHE 150 2HE PHE 150 3.272 -2.169 -9.912 1148 HZ PHE 150 HZ PHE 150 5.528 -3.053 -9.404 1149 H ALA 151 H ALA 151 3.450 -7.988 -8.412 1150 HA ALA 151 HA ALA 151 4.528 -6.690 -10.758 1151 HB1 ALA 151 1HB ALA 151 6.568 -7.603 -10.166 1152 HB2 ALA 151 2HB ALA 151 5.844 -9.098 -9.579 1153 HB3 ALA 151 3HB ALA 151 5.734 -7.623 -8.614 1154 H ASN 152 H ASN 152 3.324 -9.938 -10.108 1155 HA ASN 152 HA ASN 152 4.162 -11.047 -12.629 1156 HB2 ASN 152 2HB ASN 152 3.181 -12.990 -11.934 1157 HB3 ASN 152 1HB ASN 152 3.245 -12.167 -10.376 1158 HD21 ASN 152 1HD2 ASN 152 1.251 -11.353 -9.482 1159 HD22 ASN 152 2HD2 ASN 152 -0.262 -11.733 -10.159 1160 H VAL 153 H VAL 153 1.020 -9.699 -11.580 1161 HA VAL 153 HA VAL 153 -0.346 -10.242 -14.029 1162 HB VAL 153 HB VAL 153 -1.457 -9.506 -11.924 1163 HG11 VAL 153 1HG1 VAL 153 -1.147 -7.462 -10.990 1164 HG12 VAL 153 2HG1 VAL 153 -0.937 -6.666 -12.549 1165 HG13 VAL 153 3HG1 VAL 153 0.387 -7.569 -11.826 1166 HG21 VAL 153 1HG2 VAL 153 -3.155 -8.156 -13.013 1167 HG22 VAL 153 2HG2 VAL 153 -2.553 -9.336 -14.178 1168 HG23 VAL 153 3HG2 VAL 153 -2.006 -7.661 -14.256 1169 H ILE 154 H ILE 154 1.626 -7.507 -13.004 1170 HA ILE 154 HA ILE 154 1.161 -5.943 -15.377 1171 HB ILE 154 HB ILE 154 3.378 -5.859 -13.327 1172 HG12 ILE 154 2HG1 ILE 154 0.916 -4.146 -13.688 1173 HG13 ILE 154 1HG1 ILE 154 1.100 -5.402 -12.471 1174 HG21 ILE 154 1HG2 ILE 154 4.410 -4.456 -14.747 1175 HG22 ILE 154 2HG2 ILE 154 3.049 -3.354 -14.547 1176 HG23 ILE 154 3HG2 ILE 154 3.054 -4.516 -15.870 1177 HD11 ILE 154 1HD1 ILE 154 2.826 -2.924 -12.732 1178 HD12 ILE 154 2HD1 ILE 154 3.093 -4.224 -11.573 1179 HD13 ILE 154 3HD1 ILE 154 1.634 -3.233 -11.466 1180 HBC 969 201 HBC PDM 155 6.207 -6.104 0.210 1181 HBD 969 201 HBD PDM 155 5.904 -7.739 0.844 1182 HBE 969 201 HBE PDM 155 6.696 -6.520 1.871 1183 HBA 969 201 HBA PDM 155 3.885 -7.068 1.585 1184 HBB 969 201 HBB PDM 155 4.675 -5.873 2.639 1185 HA0 969 201 0HA PDM 155 2.567 -5.023 2.291 1186 HAY 969 201 HAY PDM 155 1.924 -4.725 0.657 1187 HAZ 969 201 HAZ PDM 155 2.863 -3.462 1.491 1188 HBF 969 201 HBF PDM 155 3.016 -6.245 -0.538 1189 HAQ 969 201 HAQ PDM 155 4.621 -3.403 -6.175 1190 HAL 969 201 HAL PDM 155 6.409 -3.276 -7.587 1191 HAM 969 201 HAM PDM 155 8.883 -3.267 -7.753 1192 HAN 969 201 HAN PDM 155 10.250 -3.149 -5.697 1193 HAE 969 201 HAE PDM 155 10.574 -3.117 -0.892 1194 HAS 969 201 HAS PDM 155 10.657 -2.524 1.242 1195 HAT 969 201 HAT PDM 155 9.654 -3.597 2.246 1196 HAU 969 201 HAU PDM 155 9.195 -1.892 2.037 1197 HAV 969 201 HAV PDM 155 4.986 -3.547 2.759 Start of MODEL 15 1 H1 MET 1 1HT MET 1 5.730 -11.760 11.725 2 H2 MET 1 2HT MET 1 4.822 -13.059 11.112 3 H3 MET 1 3HT MET 1 4.855 -12.756 12.784 4 HA MET 1 HA MET 1 3.908 -10.620 11.020 5 HB2 MET 1 2HB MET 1 1.587 -11.649 11.261 6 HB3 MET 1 1HB MET 1 2.660 -12.456 10.118 7 HG2 MET 1 2HG MET 1 3.049 -13.524 12.780 8 HG3 MET 1 1HG MET 1 1.348 -13.625 12.321 9 HE1 MET 1 1HE MET 1 0.679 -13.955 10.110 10 HE2 MET 1 2HE MET 1 0.611 -15.715 10.070 11 HE3 MET 1 3HE MET 1 1.494 -14.847 8.817 12 HA PRO 2 HA PRO 2 3.715 -10.492 15.816 13 HB2 PRO 2 2HB PRO 2 5.433 -8.303 15.995 14 HB3 PRO 2 1HB PRO 2 5.885 -9.992 16.289 15 HG2 PRO 2 2HG PRO 2 6.317 -8.305 13.890 16 HG3 PRO 2 1HG PRO 2 7.329 -9.590 14.571 17 HD2 PRO 2 2HD PRO 2 5.792 -9.962 12.352 18 HD3 PRO 2 1HD PRO 2 6.153 -11.274 13.499 19 H GLU 3 H GLU 3 2.601 -8.825 16.983 20 HA GLU 3 HA GLU 3 0.747 -7.272 15.493 21 HB2 GLU 3 2HB GLU 3 1.713 -6.941 18.351 22 HB3 GLU 3 1HB GLU 3 0.297 -6.144 17.671 23 HG2 GLU 3 2HG GLU 3 -0.682 -8.364 17.146 24 HG3 GLU 3 1HG GLU 3 0.713 -9.136 17.899 25 H GLU 4 H GLU 4 3.975 -6.553 16.689 26 HA GLU 4 HA GLU 4 3.689 -3.731 15.816 27 HB2 GLU 4 2HB GLU 4 5.694 -5.199 17.493 28 HB3 GLU 4 1HB GLU 4 6.094 -3.634 16.788 29 HG2 GLU 4 2HG GLU 4 5.205 -3.194 18.970 30 HG3 GLU 4 1HG GLU 4 3.950 -2.749 17.809 31 H ILE 5 H ILE 5 5.013 -2.828 14.250 32 HA ILE 5 HA ILE 5 6.486 -4.797 12.546 33 HB ILE 5 HB ILE 5 5.710 -2.372 11.178 34 HG12 ILE 5 2HG1 ILE 5 3.847 -2.397 12.772 35 HG13 ILE 5 1HG1 ILE 5 3.295 -2.774 11.144 36 HG21 ILE 5 1HG2 ILE 5 4.645 -4.077 9.662 37 HG22 ILE 5 2HG2 ILE 5 5.198 -5.308 10.791 38 HG23 ILE 5 3HG2 ILE 5 6.370 -4.299 9.949 39 HD11 ILE 5 1HD1 ILE 5 4.103 -5.197 12.435 40 HD12 ILE 5 2HD1 ILE 5 2.506 -4.749 11.837 41 HD13 ILE 5 3HD1 ILE 5 2.978 -4.337 13.486 42 HA PRO 6 HA PRO 6 9.743 -1.809 13.622 43 HB2 PRO 6 2HB PRO 6 11.864 -3.331 12.791 44 HB3 PRO 6 1HB PRO 6 11.077 -3.531 14.367 45 HG2 PRO 6 2HG PRO 6 10.871 -5.183 11.929 46 HG3 PRO 6 1HG PRO 6 10.735 -5.651 13.631 47 HD2 PRO 6 2HD PRO 6 8.586 -5.299 11.872 48 HD3 PRO 6 1HD PRO 6 8.470 -5.344 13.644 49 H ASP 7 H ASP 7 11.436 -0.672 12.292 50 HA ASP 7 HA ASP 7 10.436 -0.033 9.688 51 HB2 ASP 7 2HB ASP 7 12.563 1.269 9.472 52 HB3 ASP 7 1HB ASP 7 11.684 1.609 10.963 53 H VAL 8 H VAL 8 10.775 -1.036 7.786 54 HA VAL 8 HA VAL 8 13.240 -2.667 7.420 55 HB VAL 8 HB VAL 8 11.355 -4.186 8.052 56 HG11 VAL 8 1HG1 VAL 8 9.312 -4.059 7.074 57 HG12 VAL 8 2HG1 VAL 8 10.000 -3.853 5.462 58 HG13 VAL 8 3HG1 VAL 8 9.830 -2.462 6.534 59 HG21 VAL 8 1HG2 VAL 8 11.749 -5.766 6.294 60 HG22 VAL 8 2HG2 VAL 8 13.220 -4.801 6.417 61 HG23 VAL 8 3HG2 VAL 8 12.063 -4.486 5.122 62 H ARG 9 H ARG 9 14.070 -2.511 5.312 63 HA ARG 9 HA ARG 9 12.426 -0.927 3.371 64 HB2 ARG 9 2HB ARG 9 14.247 0.439 4.352 65 HB3 ARG 9 1HB ARG 9 15.422 -0.753 3.792 66 HG2 ARG 9 2HG ARG 9 14.671 -0.372 1.456 67 HG3 ARG 9 1HG ARG 9 13.553 0.862 2.033 68 HD2 ARG 9 2HD ARG 9 16.562 0.924 2.390 69 HD3 ARG 9 1HD ARG 9 15.656 1.871 1.210 70 HE ARG 9 HE ARG 9 14.489 2.501 3.659 71 HH11 ARG 9 1HH1 ARG 9 15.184 4.263 4.890 72 HH12 ARG 9 2HH1 ARG 9 16.797 4.862 4.687 73 HH21 ARG 9 1HH2 ARG 9 17.641 2.533 2.260 74 HH22 ARG 9 2HH2 ARG 9 18.187 3.883 3.197 75 H LYS 10 H LYS 10 12.146 -1.920 1.452 76 HA LYS 10 HA LYS 10 14.198 -3.865 0.523 77 HB2 LYS 10 2HB LYS 10 11.209 -4.386 0.574 78 HB3 LYS 10 1HB LYS 10 12.412 -5.434 -0.178 79 HG2 LYS 10 2HG LYS 10 13.539 -5.661 2.040 80 HG3 LYS 10 1HG LYS 10 12.232 -4.721 2.764 81 HD2 LYS 10 2HD LYS 10 10.602 -6.415 1.918 82 HD3 LYS 10 1HD LYS 10 11.957 -7.380 1.331 83 HE2 LYS 10 2HE LYS 10 10.976 -6.996 4.090 84 HE3 LYS 10 1HE LYS 10 11.860 -8.350 3.387 85 HZ1 LYS 10 1HZ LYS 10 13.054 -5.730 4.109 86 HZ2 LYS 10 2HZ LYS 10 13.887 -7.082 3.508 87 HZ3 LYS 10 3HZ LYS 10 13.167 -7.139 5.045 88 H SER 11 H SER 11 14.112 -4.174 -1.838 89 HA SER 11 HA SER 11 12.345 -2.384 -3.362 90 HB2 SER 11 2HB SER 11 14.091 -1.067 -4.334 91 HB3 SER 11 1HB SER 11 14.287 -0.994 -2.583 92 HG SER 11 HG SER 11 15.670 -3.024 -3.160 93 H VAL 12 H VAL 12 12.338 -2.864 -5.608 94 HA VAL 12 HA VAL 12 14.089 -4.987 -6.632 95 HB VAL 12 HB VAL 12 11.147 -5.400 -6.187 96 HG11 VAL 12 1HG1 VAL 12 11.721 -7.639 -7.401 97 HG12 VAL 12 2HG1 VAL 12 13.079 -6.733 -8.067 98 HG13 VAL 12 3HG1 VAL 12 11.426 -6.201 -8.379 99 HG21 VAL 12 1HG2 VAL 12 12.420 -6.102 -4.290 100 HG22 VAL 12 2HG2 VAL 12 13.672 -6.807 -5.314 101 HG23 VAL 12 3HG2 VAL 12 12.088 -7.573 -5.205 102 H VAL 13 H VAL 13 13.808 -5.288 -8.940 103 HA VAL 13 HA VAL 13 12.564 -2.904 -10.208 104 HB VAL 13 HB VAL 13 14.511 -4.894 -11.407 105 HG11 VAL 13 1HG1 VAL 13 14.801 -3.076 -13.090 106 HG12 VAL 13 2HG1 VAL 13 13.519 -2.166 -12.290 107 HG13 VAL 13 3HG1 VAL 13 13.154 -3.708 -13.062 108 HG21 VAL 13 1HG2 VAL 13 15.034 -3.051 -9.402 109 HG22 VAL 13 2HG2 VAL 13 15.433 -2.159 -10.870 110 HG23 VAL 13 3HG2 VAL 13 16.227 -3.696 -10.528 111 H VAL 14 H VAL 14 10.825 -3.156 -11.510 112 HA VAL 14 HA VAL 14 10.035 -5.939 -12.265 113 HB VAL 14 HB VAL 14 8.617 -5.228 -10.421 114 HG11 VAL 14 1HG1 VAL 14 8.920 -2.665 -11.703 115 HG12 VAL 14 2HG1 VAL 14 8.256 -3.027 -10.109 116 HG13 VAL 14 3HG1 VAL 14 7.203 -3.029 -11.525 117 HG21 VAL 14 1HG2 VAL 14 7.068 -4.791 -12.992 118 HG22 VAL 14 2HG2 VAL 14 6.457 -5.444 -11.472 119 HG23 VAL 14 3HG2 VAL 14 7.592 -6.382 -12.442 120 H ALA 15 H ALA 15 8.718 -6.045 -14.235 121 HA ALA 15 HA ALA 15 9.603 -4.129 -16.229 122 HB1 ALA 15 1HB ALA 15 9.163 -6.561 -16.706 123 HB2 ALA 15 2HB ALA 15 8.321 -5.464 -17.800 124 HB3 ALA 15 3HB ALA 15 7.444 -6.239 -16.481 125 H ALA 16 H ALA 16 8.732 -2.066 -15.648 126 HA ALA 16 HA ALA 16 5.994 -1.588 -16.433 127 HB1 ALA 16 1HB ALA 16 4.889 -1.420 -14.416 128 HB2 ALA 16 2HB ALA 16 6.353 -0.981 -13.534 129 HB3 ALA 16 3HB ALA 16 6.056 -2.663 -13.966 130 H SER 17 H SER 17 5.446 0.736 -16.114 131 HA SER 17 HA SER 17 7.912 2.397 -16.033 132 HB2 SER 17 2HB SER 17 5.144 3.075 -17.083 133 HB3 SER 17 1HB SER 17 6.575 4.096 -17.206 134 HG SER 17 HG SER 17 6.447 2.988 -19.104 135 H VAL 18 H VAL 18 7.941 4.227 -14.570 136 HA VAL 18 HA VAL 18 6.700 3.866 -12.084 137 HB VAL 18 HB VAL 18 7.413 6.069 -11.525 138 HG11 VAL 18 1HG1 VAL 18 9.442 5.758 -13.604 139 HG12 VAL 18 2HG1 VAL 18 9.059 4.236 -12.800 140 HG13 VAL 18 3HG1 VAL 18 9.603 5.622 -11.854 141 HG21 VAL 18 1HG2 VAL 18 6.320 7.344 -13.269 142 HG22 VAL 18 2HG2 VAL 18 7.328 6.596 -14.508 143 HG23 VAL 18 3HG2 VAL 18 8.045 7.704 -13.336 144 H GLU 19 H GLU 19 5.563 5.740 -14.876 145 HA GLU 19 HA GLU 19 3.220 6.795 -13.625 146 HB2 GLU 19 2HB GLU 19 4.114 7.527 -15.853 147 HB3 GLU 19 1HB GLU 19 3.545 6.001 -16.524 148 HG2 GLU 19 2HG GLU 19 1.238 6.563 -15.761 149 HG3 GLU 19 1HG GLU 19 1.835 8.129 -15.212 150 H HIS 20 H HIS 20 3.891 3.750 -15.302 151 HA HIS 20 HA HIS 20 1.195 2.748 -15.208 152 HB2 HIS 20 2HB HIS 20 2.720 1.687 -16.730 153 HB3 HIS 20 1HB HIS 20 3.862 1.337 -15.427 154 HD1 HIS 20 1HD HIS 20 0.834 0.043 -17.091 155 HD2 HIS 20 2HD HIS 20 2.834 -0.641 -13.486 156 HE1 HIS 20 1HE HIS 20 -0.129 -2.085 -16.121 157 HE2 HIS 20 2HE HIS 20 1.096 -2.525 -13.950 158 H CYS 21 H CYS 21 4.010 2.323 -13.101 159 HA CYS 21 HA CYS 21 3.031 0.426 -11.305 160 HB2 CYS 21 2HB CYS 21 4.651 2.918 -10.704 161 HB3 CYS 21 1HB CYS 21 4.508 1.525 -9.639 162 HG CYS 21 HG CYS 21 5.745 1.222 -12.493 163 H PHE 22 H PHE 22 2.498 3.935 -11.304 164 HA PHE 22 HA PHE 22 0.720 3.699 -9.001 165 HB2 PHE 22 2HB PHE 22 2.032 5.868 -10.418 166 HB3 PHE 22 1HB PHE 22 0.346 6.244 -10.034 167 HD1 PHE 22 1HD PHE 22 -0.346 6.648 -7.802 168 HD2 PHE 22 2HD PHE 22 3.528 4.976 -8.587 169 HE1 PHE 22 1HE PHE 22 0.231 6.869 -5.401 170 HE2 PHE 22 2HE PHE 22 4.113 5.201 -6.193 171 HZ PHE 22 HZ PHE 22 2.465 6.137 -4.603 172 H GLU 23 H GLU 23 0.411 3.728 -12.465 173 HA GLU 23 HA GLU 23 -2.326 4.507 -12.640 174 HB2 GLU 23 2HB GLU 23 -0.874 4.187 -14.630 175 HB3 GLU 23 1HB GLU 23 -0.862 2.454 -14.309 176 HG2 GLU 23 2HG GLU 23 -3.324 2.398 -14.525 177 HG3 GLU 23 1HG GLU 23 -3.316 4.123 -14.909 178 H VAL 24 H VAL 24 -0.765 1.389 -12.019 179 HA VAL 24 HA VAL 24 -3.180 -0.144 -11.903 180 HB VAL 24 HB VAL 24 -0.476 -0.566 -10.586 181 HG11 VAL 24 1HG1 VAL 24 -1.499 -3.030 -10.785 182 HG12 VAL 24 2HG1 VAL 24 -3.007 -2.135 -10.603 183 HG13 VAL 24 3HG1 VAL 24 -1.760 -2.023 -9.362 184 HG21 VAL 24 1HG2 VAL 24 -1.570 -2.089 -12.938 185 HG22 VAL 24 2HG2 VAL 24 0.109 -1.799 -12.485 186 HG23 VAL 24 3HG2 VAL 24 -0.850 -0.501 -13.197 187 H PHE 25 H PHE 25 -1.281 1.595 -9.456 188 HA PHE 25 HA PHE 25 -2.761 0.766 -7.168 189 HB2 PHE 25 2HB PHE 25 -1.133 3.215 -7.810 190 HB3 PHE 25 1HB PHE 25 -1.930 3.032 -6.256 191 HD1 PHE 25 1HD PHE 25 -0.784 -0.045 -7.910 192 HD2 PHE 25 2HD PHE 25 0.318 3.117 -5.207 193 HE1 PHE 25 1HE PHE 25 1.090 -1.399 -7.093 194 HE2 PHE 25 2HE PHE 25 2.205 1.743 -4.391 195 HZ PHE 25 HZ PHE 25 2.585 -0.518 -5.337 196 H THR 26 H THR 26 -3.241 3.521 -9.363 197 HA THR 26 HA THR 26 -5.694 4.215 -7.872 198 HB THR 26 HB THR 26 -5.718 6.201 -9.407 199 HG1 THR 26 1HG THR 26 -3.099 5.734 -10.096 200 HG21 THR 26 1HG2 THR 26 -4.709 6.997 -7.548 201 HG22 THR 26 2HG2 THR 26 -3.193 6.793 -8.428 202 HG23 THR 26 3HG2 THR 26 -3.760 5.522 -7.345 203 H SER 27 H SER 27 -4.925 2.175 -10.402 204 HA SER 27 HA SER 27 -7.427 2.758 -11.890 205 HB2 SER 27 2HB SER 27 -5.486 2.359 -13.280 206 HB3 SER 27 1HB SER 27 -5.171 0.835 -12.459 207 HG SER 27 HG SER 27 -6.287 0.338 -14.293 208 H ARG 28 H ARG 28 -5.873 -0.078 -10.298 209 HA ARG 28 HA ARG 28 -8.411 -0.952 -9.215 210 HB2 ARG 28 2HB ARG 28 -8.304 -3.155 -10.625 211 HB3 ARG 28 1HB ARG 28 -9.082 -1.732 -11.299 212 HG2 ARG 28 2HG ARG 28 -7.650 -2.626 -13.008 213 HG3 ARG 28 1HG ARG 28 -6.867 -1.171 -12.416 214 HD2 ARG 28 2HD ARG 28 -5.329 -2.469 -11.079 215 HD3 ARG 28 1HD ARG 28 -6.213 -3.958 -11.419 216 HE ARG 28 HE ARG 28 -5.409 -2.833 -13.900 217 HH11 ARG 28 1HH1 ARG 28 -3.573 -3.655 -14.932 218 HH12 ARG 28 2HH1 ARG 28 -2.399 -4.534 -14.011 219 HH21 ARG 28 1HH2 ARG 28 -4.117 -4.212 -11.016 220 HH22 ARG 28 2HH2 ARG 28 -2.706 -4.850 -11.794 221 HA PRO 29 HA PRO 29 -4.263 -2.574 -7.535 222 HB2 PRO 29 2HB PRO 29 -4.998 -1.937 -4.907 223 HB3 PRO 29 1HB PRO 29 -3.892 -1.018 -5.943 224 HG2 PRO 29 2HG PRO 29 -6.749 -0.547 -5.338 225 HG3 PRO 29 1HG PRO 29 -5.450 0.606 -5.666 226 HD2 PRO 29 2HD PRO 29 -7.347 0.037 -7.509 227 HD3 PRO 29 1HD PRO 29 -5.678 0.421 -7.975 228 H ALA 30 H ALA 30 -7.526 -2.909 -6.099 229 HA ALA 30 HA ALA 30 -6.860 -5.404 -4.783 230 HB1 ALA 30 1HB ALA 30 -8.861 -3.635 -4.436 231 HB2 ALA 30 2HB ALA 30 -8.962 -5.308 -3.893 232 HB3 ALA 30 3HB ALA 30 -9.703 -4.832 -5.420 233 H ASP 31 H ASP 31 -8.258 -4.611 -7.919 234 HA ASP 31 HA ASP 31 -9.382 -7.100 -8.590 235 HB2 ASP 31 2HB ASP 31 -9.483 -4.964 -9.940 236 HB3 ASP 31 1HB ASP 31 -7.870 -5.362 -10.538 237 H TRP 32 H TRP 32 -5.932 -6.204 -8.625 238 HA TRP 32 HA TRP 32 -5.272 -8.690 -10.044 239 HB2 TRP 32 2HB TRP 32 -3.251 -7.746 -10.408 240 HB3 TRP 32 1HB TRP 32 -3.947 -6.272 -9.738 241 HD1 TRP 32 HD TRP 32 -2.076 -9.427 -8.515 242 HE1 TRP 32 1HE TRP 32 -0.674 -8.782 -6.454 243 HE3 TRP 32 3HE TRP 32 -3.452 -4.571 -8.034 244 HZ2 TRP 32 2HZ TRP 32 -0.200 -6.481 -4.825 245 HZ3 TRP 32 3HZ TRP 32 -2.509 -3.151 -6.224 246 HH2 TRP 32 HH TRP 32 -0.880 -4.105 -4.620 247 H TRP 33 H TRP 33 -5.385 -10.579 -9.004 248 HA TRP 33 HA TRP 33 -4.675 -10.672 -6.104 249 HB2 TRP 33 2HB TRP 33 -6.023 -13.035 -7.175 250 HB3 TRP 33 1HB TRP 33 -6.448 -12.043 -5.780 251 HD1 TRP 33 HD TRP 33 -8.040 -9.945 -6.192 252 HE1 TRP 33 1HE TRP 33 -9.696 -9.402 -8.092 253 HE3 TRP 33 3HE TRP 33 -6.465 -13.287 -9.717 254 HZ2 TRP 33 2HZ TRP 33 -10.277 -10.272 -10.755 255 HZ3 TRP 33 3HZ TRP 33 -7.585 -13.409 -11.923 256 HH2 TRP 33 HH TRP 33 -9.487 -11.908 -12.448 257 HA PRO 34 HA PRO 34 -1.378 -13.545 -6.717 258 HB2 PRO 34 2HB PRO 34 -2.843 -15.872 -5.605 259 HB3 PRO 34 1HB PRO 34 -1.345 -15.112 -5.041 260 HG2 PRO 34 2HG PRO 34 -3.662 -14.838 -3.731 261 HG3 PRO 34 1HG PRO 34 -2.446 -13.551 -3.790 262 HD2 PRO 34 2HD PRO 34 -5.039 -13.761 -5.261 263 HD3 PRO 34 1HD PRO 34 -4.205 -12.320 -4.638 264 HA PRO 35 HA PRO 35 -1.884 -15.724 -10.527 265 HB2 PRO 35 2HB PRO 35 -0.127 -17.867 -10.090 266 HB3 PRO 35 1HB PRO 35 0.314 -16.276 -10.733 267 HG2 PRO 35 2HG PRO 35 0.604 -17.356 -7.991 268 HG3 PRO 35 1HG PRO 35 1.626 -16.208 -8.874 269 HD2 PRO 35 2HD PRO 35 -0.068 -15.413 -6.905 270 HD3 PRO 35 1HD PRO 35 0.304 -14.384 -8.306 271 H SER 36 H SER 36 -3.038 -17.489 -11.411 272 HA SER 36 HA SER 36 -4.292 -19.495 -11.412 273 HB2 SER 36 2HB SER 36 -3.801 -20.019 -8.520 274 HB3 SER 36 1HB SER 36 -3.812 -21.140 -9.878 275 HG SER 36 HG SER 36 -1.762 -19.612 -8.825 276 H HIS 37 H HIS 37 -6.150 -20.452 -9.728 277 HA HIS 37 HA HIS 37 -7.808 -18.049 -9.175 278 HB2 HIS 37 2HB HIS 37 -8.527 -20.994 -9.318 279 HB3 HIS 37 1HB HIS 37 -9.676 -19.691 -9.016 280 HD1 HIS 37 1HD HIS 37 -9.492 -17.688 -10.989 281 HD2 HIS 37 2HD HIS 37 -8.338 -21.564 -12.010 282 HE1 HIS 37 1HE HIS 37 -9.541 -17.809 -13.520 283 HE2 HIS 37 2HE HIS 37 -8.840 -20.163 -14.152 284 H VAL 38 H VAL 38 -7.264 -17.312 -7.153 285 HA VAL 38 HA VAL 38 -7.561 -19.250 -4.898 286 HB VAL 38 HB VAL 38 -5.568 -16.967 -5.037 287 HG11 VAL 38 1HG1 VAL 38 -4.692 -18.046 -2.961 288 HG12 VAL 38 2HG1 VAL 38 -6.063 -19.156 -2.995 289 HG13 VAL 38 3HG1 VAL 38 -6.332 -17.428 -2.766 290 HG21 VAL 38 1HG2 VAL 38 -4.676 -18.599 -6.478 291 HG22 VAL 38 2HG2 VAL 38 -5.346 -19.931 -5.536 292 HG23 VAL 38 3HG2 VAL 38 -3.962 -19.025 -4.923 293 H LEU 39 H LEU 39 -8.774 -18.471 -3.164 294 HA LEU 39 HA LEU 39 -10.412 -16.125 -3.649 295 HB2 LEU 39 2HB LEU 39 -10.074 -17.690 -1.071 296 HB3 LEU 39 1HB LEU 39 -11.419 -16.629 -1.492 297 HG LEU 39 HG LEU 39 -10.664 -19.216 -2.882 298 HD11 LEU 39 1HD1 LEU 39 -12.178 -20.194 -1.532 299 HD12 LEU 39 2HD1 LEU 39 -13.385 -18.970 -1.925 300 HD13 LEU 39 3HD1 LEU 39 -12.246 -18.694 -0.607 301 HD21 LEU 39 1HD2 LEU 39 -11.493 -17.890 -4.627 302 HD22 LEU 39 2HD2 LEU 39 -12.580 -16.996 -3.564 303 HD23 LEU 39 3HD2 LEU 39 -12.962 -18.656 -4.024 304 H VAL 40 H VAL 40 -10.247 -14.090 -2.655 305 HA VAL 40 HA VAL 40 -7.591 -13.307 -1.800 306 HB VAL 40 HB VAL 40 -8.977 -11.722 -3.026 307 HG11 VAL 40 1HG1 VAL 40 -11.017 -12.713 -1.290 308 HG12 VAL 40 2HG1 VAL 40 -11.186 -11.624 -2.663 309 HG13 VAL 40 3HG1 VAL 40 -10.892 -10.970 -1.054 310 HG21 VAL 40 1HG2 VAL 40 -8.720 -10.834 -0.143 311 HG22 VAL 40 2HG2 VAL 40 -8.768 -9.794 -1.562 312 HG23 VAL 40 3HG2 VAL 40 -7.392 -10.862 -1.299 313 H LYS 41 H LYS 41 -6.798 -13.362 0.253 314 HA LYS 41 HA LYS 41 -8.308 -14.417 2.438 315 HB2 LYS 41 2HB LYS 41 -5.807 -14.454 2.267 316 HB3 LYS 41 1HB LYS 41 -5.809 -12.726 2.608 317 HG2 LYS 41 2HG LYS 41 -6.986 -13.157 4.747 318 HG3 LYS 41 1HG LYS 41 -6.916 -14.889 4.416 319 HD2 LYS 41 2HD LYS 41 -4.418 -14.707 4.292 320 HD3 LYS 41 1HD LYS 41 -4.560 -13.023 4.801 321 HE2 LYS 41 2HE LYS 41 -4.292 -13.988 6.874 322 HE3 LYS 41 1HE LYS 41 -6.042 -14.148 6.731 323 HZ1 LYS 41 1HZ LYS 41 -4.111 -16.231 5.873 324 HZ2 LYS 41 2HZ LYS 41 -5.802 -16.373 5.960 325 HZ3 LYS 41 3HZ LYS 41 -4.885 -16.223 7.382 326 H LYS 42 H LYS 42 -7.551 -11.094 1.456 327 HA LYS 42 HA LYS 42 -8.933 -9.979 3.796 328 HB2 LYS 42 2HB LYS 42 -8.469 -7.791 2.795 329 HB3 LYS 42 1HB LYS 42 -7.006 -8.770 2.801 330 HG2 LYS 42 2HG LYS 42 -7.206 -9.254 0.464 331 HG3 LYS 42 1HG LYS 42 -8.845 -8.613 0.394 332 HD2 LYS 42 2HD LYS 42 -7.919 -6.376 1.059 333 HD3 LYS 42 1HD LYS 42 -6.300 -7.053 0.865 334 HE2 LYS 42 2HE LYS 42 -7.826 -7.726 -1.455 335 HE3 LYS 42 1HE LYS 42 -8.024 -6.000 -1.154 336 HZ1 LYS 42 1HZ LYS 42 -5.384 -7.346 -1.147 337 HZ2 LYS 42 2HZ LYS 42 -5.703 -5.678 -1.183 338 HZ3 LYS 42 3HZ LYS 42 -6.052 -6.643 -2.537 339 H GLU 43 H GLU 43 -10.713 -8.326 3.367 340 HA GLU 43 HA GLU 43 -12.618 -9.520 1.431 341 HB2 GLU 43 2HB GLU 43 -13.009 -7.689 3.801 342 HB3 GLU 43 1HB GLU 43 -14.316 -8.162 2.717 343 HG2 GLU 43 2HG GLU 43 -13.852 -10.546 3.241 344 HG3 GLU 43 1HG GLU 43 -12.590 -10.038 4.362 345 H ARG 44 H ARG 44 -12.533 -8.516 -0.534 346 HA ARG 44 HA ARG 44 -12.393 -5.530 -0.551 347 HB2 ARG 44 2HB ARG 44 -11.283 -6.008 -2.916 348 HB3 ARG 44 1HB ARG 44 -10.312 -5.976 -1.447 349 HG2 ARG 44 2HG ARG 44 -9.715 -7.956 -2.715 350 HG3 ARG 44 1HG ARG 44 -10.590 -8.468 -1.276 351 HD2 ARG 44 2HD ARG 44 -12.443 -9.137 -2.473 352 HD3 ARG 44 1HD ARG 44 -12.198 -7.926 -3.731 353 HE ARG 44 HE ARG 44 -10.184 -10.069 -3.648 354 HH11 ARG 44 1HH1 ARG 44 -10.097 -11.333 -5.520 355 HH12 ARG 44 2HH1 ARG 44 -11.362 -11.202 -6.697 356 HH21 ARG 44 1HH2 ARG 44 -13.140 -8.820 -4.913 357 HH22 ARG 44 2HH2 ARG 44 -13.083 -9.781 -6.353 358 H ALA 45 H ALA 45 -13.794 -4.502 -1.966 359 HA ALA 45 HA ALA 45 -15.510 -6.233 -3.694 360 HB1 ALA 45 1HB ALA 45 -17.092 -5.909 -2.064 361 HB2 ALA 45 2HB ALA 45 -17.291 -4.360 -2.884 362 HB3 ALA 45 3HB ALA 45 -16.290 -4.469 -1.436 363 H GLY 46 H GLY 46 -14.677 -2.883 -2.836 364 HA2 GLY 46 2HA GLY 46 -14.463 -2.220 -5.720 365 HA3 GLY 46 1HA GLY 46 -15.563 -1.256 -4.734 366 H LEU 47 H LEU 47 -13.509 0.145 -5.853 367 HA LEU 47 HA LEU 47 -11.943 0.876 -3.468 368 HB2 LEU 47 2HB LEU 47 -10.040 0.839 -5.584 369 HB3 LEU 47 1HB LEU 47 -10.017 -0.096 -4.090 370 HG LEU 47 HG LEU 47 -11.361 -1.862 -5.155 371 HD11 LEU 47 1HD1 LEU 47 -11.182 -1.209 -7.891 372 HD12 LEU 47 2HD1 LEU 47 -11.816 0.235 -7.104 373 HD13 LEU 47 3HD1 LEU 47 -12.653 -1.306 -6.923 374 HD21 LEU 47 1HD2 LEU 47 -9.624 -2.780 -6.412 375 HD22 LEU 47 2HD2 LEU 47 -8.779 -1.584 -5.430 376 HD23 LEU 47 3HD2 LEU 47 -9.179 -1.225 -7.107 377 H ALA 48 H ALA 48 -11.671 3.050 -3.391 378 HA ALA 48 HA ALA 48 -12.188 4.598 -5.897 379 HB1 ALA 48 1HB ALA 48 -13.474 4.806 -3.463 380 HB2 ALA 48 2HB ALA 48 -13.408 6.082 -4.678 381 HB3 ALA 48 3HB ALA 48 -12.251 6.072 -3.349 382 H PHE 49 H PHE 49 -10.576 6.024 -6.579 383 HA PHE 49 HA PHE 49 -8.254 6.440 -4.754 384 HB2 PHE 49 2HB PHE 49 -8.343 4.941 -7.289 385 HB3 PHE 49 1HB PHE 49 -7.049 6.134 -7.189 386 HD1 PHE 49 1HD PHE 49 -8.475 3.084 -5.680 387 HD2 PHE 49 2HD PHE 49 -5.234 5.898 -5.614 388 HE1 PHE 49 1HE PHE 49 -7.151 1.526 -4.282 389 HE2 PHE 49 2HE PHE 49 -3.910 4.345 -4.209 390 HZ PHE 49 HZ PHE 49 -4.862 2.157 -3.548 391 H GLU 50 H GLU 50 -7.699 8.575 -4.734 392 HA GLU 50 HA GLU 50 -8.137 10.133 -7.243 393 HB2 GLU 50 2HB GLU 50 -9.953 10.670 -5.660 394 HB3 GLU 50 1HB GLU 50 -8.763 11.098 -4.441 395 HG2 GLU 50 2HG GLU 50 -7.858 12.827 -6.042 396 HG3 GLU 50 1HG GLU 50 -9.229 12.470 -7.094 397 HA PRO 51 HA PRO 51 -3.843 11.115 -6.264 398 HB2 PRO 51 2HB PRO 51 -3.270 12.770 -8.296 399 HB3 PRO 51 1HB PRO 51 -3.612 11.050 -8.577 400 HG2 PRO 51 2HG PRO 51 -5.393 13.415 -8.938 401 HG3 PRO 51 1HG PRO 51 -5.180 11.995 -9.977 402 HD2 PRO 51 2HD PRO 51 -7.259 12.293 -8.177 403 HD3 PRO 51 1HD PRO 51 -6.661 10.729 -8.771 404 H PHE 52 H PHE 52 -2.699 12.700 -5.107 405 HA PHE 52 HA PHE 52 -2.846 15.455 -5.198 406 HB2 PHE 52 2HB PHE 52 -4.405 15.798 -3.091 407 HB3 PHE 52 1HB PHE 52 -5.096 15.741 -4.706 408 HD1 PHE 52 1HD PHE 52 -3.815 12.588 -3.308 409 HD2 PHE 52 2HD PHE 52 -7.277 15.110 -3.651 410 HE1 PHE 52 1HE PHE 52 -5.247 10.700 -2.654 411 HE2 PHE 52 2HE PHE 52 -8.709 13.203 -2.961 412 HZ PHE 52 HZ PHE 52 -7.680 10.995 -2.465 413 H VAL 53 H VAL 53 -2.279 16.517 -2.973 414 HA VAL 53 HA VAL 53 -0.255 14.791 -1.681 415 HB VAL 53 HB VAL 53 0.753 16.848 -1.939 416 HG11 VAL 53 1HG1 VAL 53 -0.584 19.008 -1.792 417 HG12 VAL 53 2HG1 VAL 53 -2.033 18.006 -1.687 418 HG13 VAL 53 3HG1 VAL 53 -1.017 17.943 -3.129 419 HG21 VAL 53 1HG2 VAL 53 0.391 16.358 0.561 420 HG22 VAL 53 2HG2 VAL 53 -0.865 17.595 0.504 421 HG23 VAL 53 3HG2 VAL 53 0.806 18.017 0.133 422 H GLY 54 H GLY 54 -0.441 14.146 0.549 423 HA2 GLY 54 2HA GLY 54 -1.640 13.697 2.551 424 HA3 GLY 54 1HA GLY 54 -2.488 15.235 2.290 425 H GLY 55 H GLY 55 -2.198 12.729 -0.053 426 HA2 GLY 55 2HA GLY 55 -4.951 12.753 -0.735 427 HA3 GLY 55 1HA GLY 55 -3.734 11.625 -1.323 428 H ARG 56 H ARG 56 -6.067 10.509 -1.131 429 HA ARG 56 HA ARG 56 -5.779 8.725 1.217 430 HB2 ARG 56 2HB ARG 56 -8.321 10.247 0.571 431 HB3 ARG 56 1HB ARG 56 -8.222 8.913 1.719 432 HG2 ARG 56 2HG ARG 56 -6.513 10.198 3.008 433 HG3 ARG 56 1HG ARG 56 -6.736 11.551 1.899 434 HD2 ARG 56 2HD ARG 56 -9.174 11.560 2.491 435 HD3 ARG 56 1HD ARG 56 -8.837 10.333 3.711 436 HE ARG 56 HE ARG 56 -7.054 12.435 4.236 437 HH11 ARG 56 1HH1 ARG 56 -7.568 14.030 5.756 438 HH12 ARG 56 2HH1 ARG 56 -9.229 14.329 6.150 439 HH21 ARG 56 1HH2 ARG 56 -10.453 11.913 3.986 440 HH22 ARG 56 2HH2 ARG 56 -10.861 13.131 5.148 441 H TYR 57 H TYR 57 -6.559 6.658 0.846 442 HA TYR 57 HA TYR 57 -7.775 6.140 -1.834 443 HB2 TYR 57 2HB TYR 57 -5.963 4.268 -0.276 444 HB3 TYR 57 1HB TYR 57 -6.638 3.978 -1.877 445 HD1 TYR 57 1HD TYR 57 -6.223 6.512 -3.309 446 HD2 TYR 57 2HD TYR 57 -3.663 4.503 -0.496 447 HE1 TYR 57 1HE TYR 57 -4.258 7.627 -4.301 448 HE2 TYR 57 2HE TYR 57 -1.693 5.617 -1.506 449 HH TYR 57 HH TYR 57 -1.638 6.970 -4.420 450 H TYR 58 H TYR 58 -9.584 4.832 -1.829 451 HA TYR 58 HA TYR 58 -10.572 4.008 0.876 452 HB2 TYR 58 2HB TYR 58 -12.281 4.702 -1.517 453 HB3 TYR 58 1HB TYR 58 -12.764 4.603 0.175 454 HD1 TYR 58 1HD TYR 58 -12.796 6.540 1.488 455 HD2 TYR 58 2HD TYR 58 -10.398 6.444 -2.077 456 HE1 TYR 58 1HE TYR 58 -12.224 8.932 1.804 457 HE2 TYR 58 2HE TYR 58 -9.825 8.828 -1.759 458 HH TYR 58 HH TYR 58 -11.236 10.886 -0.361 459 H GLU 59 H GLU 59 -11.307 1.932 1.103 460 HA GLU 59 HA GLU 59 -11.401 0.225 -1.355 461 HB2 GLU 59 2HB GLU 59 -9.397 -0.220 0.092 462 HB3 GLU 59 1HB GLU 59 -10.496 -0.635 1.408 463 HG2 GLU 59 2HG GLU 59 -11.518 -2.386 -0.043 464 HG3 GLU 59 1HG GLU 59 -10.324 -2.014 -1.287 465 H TRP 60 H TRP 60 -13.103 -1.196 -1.483 466 HA TRP 60 HA TRP 60 -15.216 -0.887 0.605 467 HB2 TRP 60 2HB TRP 60 -15.192 -1.226 -2.329 468 HB3 TRP 60 1HB TRP 60 -16.405 -2.189 -1.489 469 HD1 TRP 60 HD TRP 60 -17.755 -0.560 0.506 470 HE1 TRP 60 1HE TRP 60 -18.842 1.735 0.026 471 HE3 TRP 60 3HE TRP 60 -15.240 0.742 -3.743 472 HZ2 TRP 60 2HZ TRP 60 -18.649 3.850 -1.907 473 HZ3 TRP 60 3HZ TRP 60 -15.702 2.891 -4.879 474 HH2 TRP 60 HH TRP 60 -17.400 4.443 -3.970 475 H ASP 61 H ASP 61 -15.722 -2.696 1.815 476 HA ASP 61 HA ASP 61 -14.580 -5.296 0.857 477 HB2 ASP 61 2HB ASP 61 -15.360 -5.138 3.687 478 HB3 ASP 61 1HB ASP 61 -13.904 -5.798 2.953 479 H ILE 62 H ILE 62 -15.961 -7.037 0.736 480 HA ILE 62 HA ILE 62 -18.657 -6.627 0.190 481 HB ILE 62 HB ILE 62 -18.887 -9.120 0.622 482 HG12 ILE 62 2HG1 ILE 62 -16.690 -8.688 2.245 483 HG13 ILE 62 1HG1 ILE 62 -17.256 -10.262 1.708 484 HG21 ILE 62 1HG2 ILE 62 -18.336 -8.309 -1.579 485 HG22 ILE 62 2HG2 ILE 62 -17.276 -9.675 -1.240 486 HG23 ILE 62 3HG2 ILE 62 -16.659 -8.026 -1.112 487 HD11 ILE 62 1HD1 ILE 62 -15.259 -8.562 0.181 488 HD12 ILE 62 2HD1 ILE 62 -15.723 -10.229 -0.174 489 HD13 ILE 62 3HD1 ILE 62 -14.816 -9.860 1.286 490 H ASP 63 H ASP 63 -17.151 -7.348 3.303 491 HA ASP 63 HA ASP 63 -19.844 -7.171 4.581 492 HB2 ASP 63 2HB ASP 63 -17.194 -8.197 5.644 493 HB3 ASP 63 1HB ASP 63 -18.671 -8.080 6.599 494 H GLY 64 H GLY 64 -17.068 -5.417 3.878 495 HA2 GLY 64 2HA GLY 64 -17.518 -3.571 6.173 496 HA3 GLY 64 1HA GLY 64 -15.988 -3.715 5.318 497 H THR 65 H THR 65 -18.171 -1.567 5.778 498 HA THR 65 HA THR 65 -19.207 -0.751 3.255 499 HB THR 65 HB THR 65 -18.392 1.154 5.436 500 HG1 THR 65 1HG THR 65 -19.337 -0.447 6.575 501 HG21 THR 65 1HG2 THR 65 -19.838 1.425 3.085 502 HG22 THR 65 2HG2 THR 65 -19.887 2.537 4.453 503 HG23 THR 65 3HG2 THR 65 -21.090 1.255 4.314 504 H GLU 66 H GLU 66 -18.112 2.019 3.408 505 HA GLU 66 HA GLU 66 -15.577 1.490 1.928 506 HB2 GLU 66 2HB GLU 66 -17.590 2.918 1.018 507 HB3 GLU 66 1HB GLU 66 -16.934 4.161 2.066 508 HG2 GLU 66 2HG GLU 66 -14.717 3.836 0.985 509 HG3 GLU 66 1HG GLU 66 -15.481 2.734 -0.155 510 H ILE 67 H ILE 67 -13.670 2.072 2.890 511 HA ILE 67 HA ILE 67 -13.701 4.212 4.950 512 HB ILE 67 HB ILE 67 -12.444 1.506 5.472 513 HG12 ILE 67 2HG1 ILE 67 -14.992 2.691 6.602 514 HG13 ILE 67 1HG1 ILE 67 -14.916 1.351 5.460 515 HG21 ILE 67 1HG2 ILE 67 -11.376 2.610 7.114 516 HG22 ILE 67 2HG2 ILE 67 -12.940 3.023 7.817 517 HG23 ILE 67 3HG2 ILE 67 -12.184 4.108 6.658 518 HD11 ILE 67 1HD1 ILE 67 -14.168 1.410 8.355 519 HD12 ILE 67 2HD1 ILE 67 -13.298 0.317 7.278 520 HD13 ILE 67 3HD1 ILE 67 -15.048 0.180 7.449 521 H VAL 68 H VAL 68 -11.550 5.099 5.357 522 HA VAL 68 HA VAL 68 -9.732 4.742 3.041 523 HB VAL 68 HB VAL 68 -9.519 6.656 5.390 524 HG11 VAL 68 1HG1 VAL 68 -8.169 6.527 2.679 525 HG12 VAL 68 2HG1 VAL 68 -7.399 6.347 4.256 526 HG13 VAL 68 3HG1 VAL 68 -8.060 7.909 3.770 527 HG21 VAL 68 1HG2 VAL 68 -11.073 7.960 4.408 528 HG22 VAL 68 2HG2 VAL 68 -11.417 6.632 3.302 529 HG23 VAL 68 3HG2 VAL 68 -10.234 7.862 2.862 530 H TRP 69 H TRP 69 -7.927 3.461 3.228 531 HA TRP 69 HA TRP 69 -7.202 2.553 5.992 532 HB2 TRP 69 2HB TRP 69 -6.583 0.486 5.112 533 HB3 TRP 69 1HB TRP 69 -7.948 0.920 4.083 534 HD1 TRP 69 HD TRP 69 -4.129 0.759 4.093 535 HE1 TRP 69 1HE TRP 69 -3.291 0.817 1.659 536 HE3 TRP 69 3HE TRP 69 -8.536 1.594 1.658 537 HZ2 TRP 69 2HZ TRP 69 -4.344 1.146 -0.970 538 HZ3 TRP 69 3HZ TRP 69 -8.582 1.762 -0.812 539 HH2 TRP 69 HH TRP 69 -6.503 1.540 -2.121 540 H GLY 70 H GLY 70 -6.113 4.755 3.770 541 HA2 GLY 70 2HA GLY 70 -3.444 4.735 4.965 542 HA3 GLY 70 1HA GLY 70 -3.444 4.302 3.258 543 H ARG 71 H ARG 71 -2.031 6.434 3.667 544 HA ARG 71 HA ARG 71 -3.717 8.676 2.686 545 HB2 ARG 71 2HB ARG 71 -2.902 8.658 5.294 546 HB3 ARG 71 1HB ARG 71 -1.540 9.456 4.522 547 HG2 ARG 71 2HG ARG 71 -3.190 10.990 3.377 548 HG3 ARG 71 1HG ARG 71 -4.441 10.306 4.410 549 HD2 ARG 71 2HD ARG 71 -1.935 11.749 5.326 550 HD3 ARG 71 1HD ARG 71 -3.588 12.354 5.427 551 HE ARG 71 HE ARG 71 -3.192 9.813 6.815 552 HH11 ARG 71 1HH1 ARG 71 -3.423 9.906 9.061 553 HH12 ARG 71 2HH1 ARG 71 -3.424 11.446 9.855 554 HH21 ARG 71 1HH2 ARG 71 -3.021 13.253 6.924 555 HH22 ARG 71 2HH2 ARG 71 -3.198 13.341 8.645 556 H ILE 72 H ILE 72 -1.984 10.540 2.163 557 HA ILE 72 HA ILE 72 0.410 9.313 0.918 558 HB ILE 72 HB ILE 72 -1.612 11.132 -0.399 559 HG12 ILE 72 2HG1 ILE 72 -1.248 9.346 -2.224 560 HG13 ILE 72 1HG1 ILE 72 -0.434 8.405 -0.976 561 HG21 ILE 72 1HG2 ILE 72 0.505 12.142 -0.888 562 HG22 ILE 72 2HG2 ILE 72 0.067 11.181 -2.301 563 HG23 ILE 72 3HG2 ILE 72 1.260 10.572 -1.155 564 HD11 ILE 72 1HD1 ILE 72 -2.878 9.353 0.137 565 HD12 ILE 72 2HD1 ILE 72 -2.432 7.695 -0.231 566 HD13 ILE 72 3HD1 ILE 72 -3.250 8.678 -1.444 567 H LEU 73 H LEU 73 2.086 11.116 0.428 568 HA LEU 73 HA LEU 73 1.789 13.275 2.480 569 HB2 LEU 73 2HB LEU 73 4.177 11.723 1.527 570 HB3 LEU 73 1HB LEU 73 4.365 13.266 2.348 571 HG LEU 73 HG LEU 73 2.620 11.103 3.515 572 HD11 LEU 73 1HD1 LEU 73 5.579 11.423 4.054 573 HD12 LEU 73 2HD1 LEU 73 4.885 10.166 3.030 574 HD13 LEU 73 3HD1 LEU 73 4.494 10.216 4.747 575 HD21 LEU 73 1HD2 LEU 73 3.837 12.379 5.590 576 HD22 LEU 73 2HD2 LEU 73 2.300 12.895 4.898 577 HD23 LEU 73 3HD2 LEU 73 3.795 13.685 4.409 578 H GLU 74 H GLU 74 3.283 12.590 -0.690 579 HA GLU 74 HA GLU 74 2.380 15.051 -1.850 580 HB2 GLU 74 2HB GLU 74 4.107 15.953 -0.253 581 HB3 GLU 74 1HB GLU 74 5.323 15.006 -1.114 582 HG2 GLU 74 2HG GLU 74 4.722 16.193 -3.216 583 HG3 GLU 74 1HG GLU 74 3.577 17.180 -2.307 584 H TRP 75 H TRP 75 3.078 15.221 -4.087 585 HA TRP 75 HA TRP 75 4.279 12.687 -5.111 586 HB2 TRP 75 2HB TRP 75 2.472 14.683 -6.507 587 HB3 TRP 75 1HB TRP 75 3.082 13.183 -7.209 588 HD1 TRP 75 HD TRP 75 1.133 14.220 -4.023 589 HE1 TRP 75 1HE TRP 75 -0.668 12.432 -3.575 590 HE3 TRP 75 3HE TRP 75 2.119 10.991 -7.855 591 HZ2 TRP 75 2HZ TRP 75 -1.577 9.965 -4.695 592 HZ3 TRP 75 3HZ TRP 75 0.768 8.933 -8.141 593 HH2 TRP 75 HH TRP 75 -1.078 8.417 -6.566 594 H ASP 76 H ASP 76 6.218 12.844 -6.195 595 HA ASP 76 HA ASP 76 7.273 15.572 -6.691 596 HB2 ASP 76 2HB ASP 76 8.525 13.550 -5.488 597 HB3 ASP 76 1HB ASP 76 8.935 13.146 -7.156 598 HA PRO 77 HA PRO 77 5.885 15.209 -10.957 599 HB2 PRO 77 2HB PRO 77 8.313 16.883 -11.429 600 HB3 PRO 77 1HB PRO 77 6.662 17.092 -12.023 601 HG2 PRO 77 2HG PRO 77 7.657 18.521 -9.977 602 HG3 PRO 77 1HG PRO 77 5.947 18.082 -10.108 603 HD2 PRO 77 2HD PRO 77 7.984 17.076 -8.227 604 HD3 PRO 77 1HD PRO 77 6.212 17.016 -8.105 605 HA PRO 78 HA PRO 78 10.154 13.563 -12.832 606 HB2 PRO 78 2HB PRO 78 11.587 12.387 -10.672 607 HB3 PRO 78 1HB PRO 78 12.075 13.789 -11.636 608 HG2 PRO 78 2HG PRO 78 10.770 13.686 -8.982 609 HG3 PRO 78 1HG PRO 78 11.908 14.874 -9.644 610 HD2 PRO 78 2HD PRO 78 9.308 15.466 -9.390 611 HD3 PRO 78 1HD PRO 78 10.243 16.035 -10.790 612 H HIS 79 H HIS 79 10.141 11.566 -9.927 613 HA HIS 79 HA HIS 79 8.002 9.820 -10.734 614 HB2 HIS 79 2HB HIS 79 9.570 7.880 -11.213 615 HB3 HIS 79 1HB HIS 79 9.579 9.140 -12.449 616 HD1 HIS 79 1HD HIS 79 11.362 9.117 -9.083 617 HD2 HIS 79 2HD HIS 79 12.267 9.326 -13.149 618 HE1 HIS 79 1HE HIS 79 13.858 9.502 -9.238 619 HE2 HIS 79 2HE HIS 79 14.422 9.632 -11.711 620 H ARG 80 H ARG 80 8.856 11.275 -8.410 621 HA ARG 80 HA ARG 80 9.399 8.995 -6.559 622 HB2 ARG 80 2HB ARG 80 11.470 10.278 -6.781 623 HB3 ARG 80 1HB ARG 80 10.605 11.775 -6.430 624 HG2 ARG 80 2HG ARG 80 10.099 11.024 -4.186 625 HG3 ARG 80 1HG ARG 80 10.770 9.428 -4.523 626 HD2 ARG 80 2HD ARG 80 12.472 10.627 -3.349 627 HD3 ARG 80 1HD ARG 80 12.970 10.589 -5.038 628 HE ARG 80 HE ARG 80 11.563 12.957 -4.843 629 HH11 ARG 80 1HH1 ARG 80 12.527 14.919 -4.266 630 HH12 ARG 80 2HH1 ARG 80 13.973 14.911 -3.315 631 HH21 ARG 80 1HH2 ARG 80 14.137 11.454 -3.113 632 HH22 ARG 80 2HH2 ARG 80 14.886 12.949 -2.663 633 H LEU 81 H LEU 81 8.349 9.116 -4.542 634 HA LEU 81 HA LEU 81 6.777 11.463 -3.817 635 HB2 LEU 81 2HB LEU 81 4.591 10.243 -3.942 636 HB3 LEU 81 1HB LEU 81 5.304 10.585 -5.520 637 HG LEU 81 HG LEU 81 6.424 8.142 -4.841 638 HD11 LEU 81 1HD1 LEU 81 4.610 6.749 -4.075 639 HD12 LEU 81 2HD1 LEU 81 3.495 8.117 -4.112 640 HD13 LEU 81 3HD1 LEU 81 4.812 8.083 -2.940 641 HD21 LEU 81 1HD2 LEU 81 4.980 7.272 -6.610 642 HD22 LEU 81 2HD2 LEU 81 5.520 8.894 -7.043 643 HD23 LEU 81 3HD2 LEU 81 3.886 8.643 -6.426 644 H ALA 82 H ALA 82 6.013 11.345 -1.688 645 HA ALA 82 HA ALA 82 6.847 8.911 -0.152 646 HB1 ALA 82 1HB ALA 82 7.095 10.371 1.788 647 HB2 ALA 82 2HB ALA 82 6.451 11.740 0.883 648 HB3 ALA 82 3HB ALA 82 8.018 11.058 0.452 649 H MET 83 H MET 83 5.272 8.276 1.612 650 HA MET 83 HA MET 83 2.572 9.477 1.180 651 HB2 MET 83 2HB MET 83 3.011 6.498 1.352 652 HB3 MET 83 1HB MET 83 1.518 7.335 0.948 653 HG2 MET 83 2HG MET 83 2.757 8.305 -1.054 654 HG3 MET 83 1HG MET 83 4.045 7.155 -0.689 655 HE1 MET 83 1HE MET 83 2.172 4.570 0.424 656 HE2 MET 83 2HE MET 83 3.762 4.813 -0.295 657 HE3 MET 83 3HE MET 83 2.606 3.739 -1.077 658 H THR 84 H THR 84 1.035 9.108 2.881 659 HA THR 84 HA THR 84 2.251 8.254 5.481 660 HB THR 84 HB THR 84 0.411 10.568 4.860 661 HG1 THR 84 1HG THR 84 2.835 10.188 6.264 662 HG21 THR 84 1HG2 THR 84 0.779 9.082 7.465 663 HG22 THR 84 2HG2 THR 84 -0.732 9.498 6.656 664 HG23 THR 84 3HG2 THR 84 0.241 10.761 7.408 665 H TRP 85 H TRP 85 0.581 7.289 6.998 666 HA TRP 85 HA TRP 85 -1.491 5.852 5.393 667 HB2 TRP 85 2HB TRP 85 -0.225 5.233 8.074 668 HB3 TRP 85 1HB TRP 85 -1.553 4.304 7.386 669 HD1 TRP 85 HD TRP 85 2.166 4.857 7.139 670 HE1 TRP 85 1HE TRP 85 3.177 3.147 5.498 671 HE3 TRP 85 3HE TRP 85 -2.112 2.907 5.139 672 HZ2 TRP 85 2HZ TRP 85 2.290 1.206 3.590 673 HZ3 TRP 85 3HZ TRP 85 -1.996 1.134 3.413 674 HH2 TRP 85 HH TRP 85 0.196 0.282 2.638 675 H ARG 86 H ARG 86 -3.652 6.321 5.728 676 HA ARG 86 HA ARG 86 -4.361 7.748 8.273 677 HB2 ARG 86 2HB ARG 86 -4.780 9.194 6.355 678 HB3 ARG 86 1HB ARG 86 -5.701 7.924 5.555 679 HG2 ARG 86 2HG ARG 86 -7.365 7.981 7.368 680 HG3 ARG 86 1HG ARG 86 -6.422 9.212 8.207 681 HD2 ARG 86 2HD ARG 86 -7.538 9.549 5.412 682 HD3 ARG 86 1HD ARG 86 -8.336 10.142 6.869 683 HE ARG 86 HE ARG 86 -5.934 11.289 5.630 684 HH11 ARG 86 1HH1 ARG 86 -5.219 13.212 6.584 685 HH12 ARG 86 2HH1 ARG 86 -5.858 13.690 8.122 686 HH21 ARG 86 1HH2 ARG 86 -7.928 10.925 8.417 687 HH22 ARG 86 2HH2 ARG 86 -7.391 12.394 9.160 688 H ILE 87 H ILE 87 -4.747 5.748 9.392 689 HA ILE 87 HA ILE 87 -7.371 4.567 8.713 690 HB ILE 87 HB ILE 87 -5.611 3.151 7.598 691 HG12 ILE 87 2HG1 ILE 87 -6.903 1.662 9.889 692 HG13 ILE 87 1HG1 ILE 87 -7.876 2.352 8.593 693 HG21 ILE 87 1HG2 ILE 87 -4.827 2.007 10.213 694 HG22 ILE 87 2HG2 ILE 87 -4.160 3.600 9.859 695 HG23 ILE 87 3HG2 ILE 87 -3.861 2.256 8.759 696 HD11 ILE 87 1HD1 ILE 87 -7.372 0.635 7.238 697 HD12 ILE 87 2HD1 ILE 87 -6.531 -0.130 8.583 698 HD13 ILE 87 3HD1 ILE 87 -5.645 0.906 7.464 699 H ASP 88 H ASP 88 -8.282 3.346 10.532 700 HA ASP 88 HA ASP 88 -7.174 4.301 13.126 701 HB2 ASP 88 2HB ASP 88 -9.532 4.883 12.607 702 HB3 ASP 88 1HB ASP 88 -9.911 3.165 12.538 703 H GLY 89 H GLY 89 -7.778 2.650 14.958 704 HA2 GLY 89 2HA GLY 89 -6.176 0.336 14.592 705 HA3 GLY 89 1HA GLY 89 -7.306 0.566 15.926 706 H HIS 90 H HIS 90 -9.683 0.779 14.256 707 HA HIS 90 HA HIS 90 -9.884 -2.087 13.434 708 HB2 HIS 90 2HB HIS 90 -11.419 -0.643 15.255 709 HB3 HIS 90 1HB HIS 90 -12.431 -0.726 13.817 710 HD1 HIS 90 1HD HIS 90 -12.391 -2.494 16.688 711 HD2 HIS 90 2HD HIS 90 -11.646 -3.734 12.776 712 HE1 HIS 90 1HE HIS 90 -12.794 -4.997 16.642 713 HE2 HIS 90 2HE HIS 90 -12.344 -5.763 14.264 714 H TRP 91 H TRP 91 -8.857 -0.259 11.547 715 HA TRP 91 HA TRP 91 -9.206 0.446 9.335 716 HB2 TRP 91 2HB TRP 91 -11.294 -1.706 9.672 717 HB3 TRP 91 1HB TRP 91 -11.149 -0.806 8.166 718 HD1 TRP 91 HD TRP 91 -8.853 -1.047 6.805 719 HE1 TRP 91 1HE TRP 91 -7.120 -2.951 6.761 720 HE3 TRP 91 3HE TRP 91 -10.135 -3.510 11.082 721 HZ2 TRP 91 2HZ TRP 91 -6.386 -5.224 8.336 722 HZ3 TRP 91 3HZ TRP 91 -8.910 -5.541 11.786 723 HH2 TRP 91 HH TRP 91 -7.032 -6.402 10.418 724 H GLN 92 H GLN 92 -10.610 1.910 11.545 725 HA GLN 92 HA GLN 92 -13.043 2.830 10.086 726 HB2 GLN 92 2HB GLN 92 -12.147 3.373 12.931 727 HB3 GLN 92 1HB GLN 92 -13.645 3.957 12.204 728 HG2 GLN 92 2HG GLN 92 -14.361 1.626 11.797 729 HG3 GLN 92 1HG GLN 92 -12.862 1.051 12.522 730 HE21 GLN 92 1HE2 GLN 92 -15.386 0.335 13.652 731 HE22 GLN 92 2HE2 GLN 92 -15.534 1.091 15.164 732 H SER 93 H SER 93 -13.379 5.204 9.945 733 HA SER 93 HA SER 93 -10.780 6.554 9.423 734 HB2 SER 93 2HB SER 93 -12.470 6.434 7.586 735 HB3 SER 93 1HB SER 93 -13.579 7.372 8.587 736 HG SER 93 HG SER 93 -11.000 8.366 8.246 737 H VAL 94 H VAL 94 -10.244 8.482 10.414 738 HA VAL 94 HA VAL 94 -12.177 9.616 12.382 739 HB VAL 94 HB VAL 94 -9.820 10.040 13.653 740 HG11 VAL 94 1HG1 VAL 94 -10.406 7.863 14.923 741 HG12 VAL 94 2HG1 VAL 94 -11.739 7.711 13.777 742 HG13 VAL 94 3HG1 VAL 94 -11.647 9.113 14.842 743 HG21 VAL 94 1HG2 VAL 94 -8.307 8.257 13.399 744 HG22 VAL 94 2HG2 VAL 94 -8.795 8.589 11.737 745 HG23 VAL 94 3HG2 VAL 94 -9.504 7.231 12.610 746 HA PRO 95 HA PRO 95 -11.291 13.587 10.726 747 HB2 PRO 95 2HB PRO 95 -10.454 14.901 13.105 748 HB3 PRO 95 1HB PRO 95 -12.087 14.872 12.420 749 HG2 PRO 95 2HG PRO 95 -10.943 13.290 14.626 750 HG3 PRO 95 1HG PRO 95 -12.620 13.768 14.324 751 HD2 PRO 95 2HD PRO 95 -11.750 11.218 13.958 752 HD3 PRO 95 1HD PRO 95 -13.042 11.933 12.966 753 H ASP 96 H ASP 96 -8.875 12.229 12.918 754 HA ASP 96 HA ASP 96 -6.744 12.828 11.036 755 HB2 ASP 96 2HB ASP 96 -7.244 14.976 12.517 756 HB3 ASP 96 1HB ASP 96 -6.294 14.081 13.704 757 H ASP 97 H ASP 97 -4.873 11.599 11.533 758 HA ASP 97 HA ASP 97 -5.250 9.660 13.755 759 HB2 ASP 97 2HB ASP 97 -3.644 9.524 11.193 760 HB3 ASP 97 1HB ASP 97 -3.571 8.307 12.465 761 H ASP 98 H ASP 98 -4.023 10.082 15.522 762 HA ASP 98 HA ASP 98 -1.634 11.777 15.291 763 HB2 ASP 98 2HB ASP 98 -3.013 10.472 17.644 764 HB3 ASP 98 1HB ASP 98 -1.566 11.465 17.788 765 H ARG 99 H ARG 99 -2.427 8.532 15.059 766 HA ARG 99 HA ARG 99 0.286 7.634 15.884 767 HB2 ARG 99 2HB ARG 99 -1.633 5.536 15.227 768 HB3 ARG 99 1HB ARG 99 -0.719 5.789 16.715 769 HG2 ARG 99 2HG ARG 99 -2.347 7.528 17.407 770 HG3 ARG 99 1HG ARG 99 -3.286 7.207 15.947 771 HD2 ARG 99 2HD ARG 99 -4.287 5.951 17.755 772 HD3 ARG 99 1HD ARG 99 -3.474 4.806 16.688 773 HE ARG 99 HE ARG 99 -1.712 5.664 18.810 774 HH11 ARG 99 1HH1 ARG 99 -1.272 4.154 20.434 775 HH12 ARG 99 2HH1 ARG 99 -2.306 2.778 20.622 776 HH21 ARG 99 1HH2 ARG 99 -4.408 3.669 18.010 777 HH22 ARG 99 2HH2 ARG 99 -4.083 2.504 19.251 778 H ALA 100 H ALA 100 -0.281 8.992 13.356 779 HA ALA 100 HA ALA 100 -0.279 6.844 11.343 780 HB1 ALA 100 1HB ALA 100 -1.382 8.527 10.293 781 HB2 ALA 100 2HB ALA 100 0.226 9.177 9.973 782 HB3 ALA 100 3HB ALA 100 -0.700 9.755 11.358 783 H SER 101 H SER 101 1.464 6.399 9.965 784 HA SER 101 HA SER 101 4.112 7.386 10.941 785 HB2 SER 101 2HB SER 101 5.049 5.308 10.122 786 HB3 SER 101 1HB SER 101 3.651 4.914 11.117 787 HG SER 101 HG SER 101 2.862 3.985 9.417 788 H GLU 102 H GLU 102 5.798 7.502 9.138 789 HA GLU 102 HA GLU 102 4.510 8.648 6.696 790 HB2 GLU 102 2HB GLU 102 7.269 9.142 7.854 791 HB3 GLU 102 1HB GLU 102 6.606 9.922 6.418 792 HG2 GLU 102 2HG GLU 102 4.759 10.847 7.803 793 HG3 GLU 102 1HG GLU 102 5.496 10.124 9.234 794 H ILE 103 H ILE 103 5.230 7.991 4.653 795 HA ILE 103 HA ILE 103 7.059 5.615 4.632 796 HB ILE 103 HB ILE 103 4.875 6.273 2.643 797 HG12 ILE 103 2HG1 ILE 103 4.879 4.173 4.831 798 HG13 ILE 103 1HG1 ILE 103 3.964 5.686 4.888 799 HG21 ILE 103 1HG2 ILE 103 5.749 3.514 2.816 800 HG22 ILE 103 2HG2 ILE 103 7.116 4.582 2.498 801 HG23 ILE 103 3HG2 ILE 103 5.723 4.587 1.416 802 HD11 ILE 103 1HD1 ILE 103 3.299 3.227 3.533 803 HD12 ILE 103 2HD1 ILE 103 3.421 4.537 2.363 804 HD13 ILE 103 3HD1 ILE 103 2.314 4.676 3.730 805 H GLU 104 H GLU 104 8.723 5.641 3.142 806 HA GLU 104 HA GLU 104 8.873 8.045 1.358 807 HB2 GLU 104 2HB GLU 104 10.570 8.040 3.219 808 HB3 GLU 104 1HB GLU 104 11.203 6.523 2.576 809 HG2 GLU 104 2HG GLU 104 11.616 7.661 0.395 810 HG3 GLU 104 1HG GLU 104 11.088 9.180 1.121 811 H VAL 105 H VAL 105 8.542 7.354 -0.701 812 HA VAL 105 HA VAL 105 9.874 4.839 -1.553 813 HB VAL 105 HB VAL 105 7.486 4.344 -1.120 814 HG11 VAL 105 1HG1 VAL 105 7.019 6.481 -3.224 815 HG12 VAL 105 2HG1 VAL 105 6.557 6.573 -1.526 816 HG13 VAL 105 3HG1 VAL 105 5.780 5.399 -2.589 817 HG21 VAL 105 1HG2 VAL 105 6.969 3.453 -3.399 818 HG22 VAL 105 2HG2 VAL 105 8.621 3.106 -2.888 819 HG23 VAL 105 3HG2 VAL 105 8.308 4.404 -4.041 820 H ASP 106 H ASP 106 10.700 4.899 -3.656 821 HA ASP 106 HA ASP 106 10.159 7.375 -5.217 822 HB2 ASP 106 2HB ASP 106 12.318 7.603 -3.997 823 HB3 ASP 106 1HB ASP 106 12.899 6.153 -4.820 824 H PHE 107 H PHE 107 9.919 7.045 -7.396 825 HA PHE 107 HA PHE 107 10.336 4.248 -8.358 826 HB2 PHE 107 2HB PHE 107 8.340 6.366 -9.199 827 HB3 PHE 107 1HB PHE 107 8.551 4.818 -10.009 828 HD1 PHE 107 1HD PHE 107 7.400 2.921 -9.262 829 HD2 PHE 107 2HD PHE 107 7.865 6.290 -6.641 830 HE1 PHE 107 1HE PHE 107 5.909 1.835 -7.603 831 HE2 PHE 107 2HE PHE 107 6.373 5.207 -4.985 832 HZ PHE 107 HZ PHE 107 5.394 2.979 -5.464 833 H VAL 108 H VAL 108 11.510 3.970 -10.239 834 HA VAL 108 HA VAL 108 12.487 6.437 -11.608 835 HB VAL 108 HB VAL 108 14.191 3.990 -11.526 836 HG11 VAL 108 1HG1 VAL 108 14.743 6.970 -11.422 837 HG12 VAL 108 2HG1 VAL 108 14.845 5.953 -12.859 838 HG13 VAL 108 3HG1 VAL 108 15.972 5.709 -11.524 839 HG21 VAL 108 1HG2 VAL 108 15.217 5.066 -9.390 840 HG22 VAL 108 2HG2 VAL 108 13.760 4.089 -9.208 841 HG23 VAL 108 3HG2 VAL 108 13.645 5.849 -9.215 842 HA PRO 109 HA PRO 109 10.645 4.077 -14.995 843 HB2 PRO 109 2HB PRO 109 11.138 5.838 -17.013 844 HB3 PRO 109 1HB PRO 109 9.856 6.092 -15.814 845 HG2 PRO 109 2HG PRO 109 12.561 7.304 -15.975 846 HG3 PRO 109 1HG PRO 109 11.021 8.037 -15.507 847 HD2 PRO 109 2HD PRO 109 12.928 7.219 -13.697 848 HD3 PRO 109 1HD PRO 109 11.191 7.320 -13.320 849 H ASN 110 H ASN 110 11.711 2.378 -15.795 850 HA ASN 110 HA ASN 110 14.348 2.798 -17.099 851 HB2 ASN 110 2HB ASN 110 14.342 1.452 -14.930 852 HB3 ASN 110 1HB ASN 110 13.440 0.225 -15.822 853 HD21 ASN 110 1HD2 ASN 110 15.422 -1.176 -15.449 854 HD22 ASN 110 2HD2 ASN 110 16.746 -1.002 -16.497 855 H GLY 111 H GLY 111 14.152 2.544 -19.273 856 HA2 GLY 111 2HA GLY 111 13.496 1.608 -21.323 857 HA3 GLY 111 1HA GLY 111 13.026 0.169 -20.418 858 H SER 112 H SER 112 11.392 0.723 -22.431 859 HA SER 112 HA SER 112 9.299 2.599 -21.958 860 HB2 SER 112 2HB SER 112 9.108 -0.047 -23.403 861 HB3 SER 112 1HB SER 112 8.025 1.327 -23.594 862 HG SER 112 HG SER 112 10.396 2.300 -23.957 863 H GLY 113 H GLY 113 9.802 -0.707 -20.802 864 HA2 GLY 113 2HA GLY 113 7.431 -0.321 -19.025 865 HA3 GLY 113 1HA GLY 113 7.634 -1.835 -19.910 866 H GLY 114 H GLY 114 10.033 0.165 -18.141 867 HA2 GLY 114 2HA GLY 114 10.391 -2.102 -16.258 868 HA3 GLY 114 1HA GLY 114 11.803 -1.445 -17.081 869 H THR 115 H THR 115 10.534 -1.382 -14.158 870 HA THR 115 HA THR 115 11.385 1.434 -13.727 871 HB THR 115 HB THR 115 8.738 0.248 -12.890 872 HG1 THR 115 1HG THR 115 8.068 1.596 -14.329 873 HG21 THR 115 1HG2 THR 115 9.581 1.208 -10.872 874 HG22 THR 115 2HG2 THR 115 8.495 2.406 -11.566 875 HG23 THR 115 3HG2 THR 115 10.240 2.599 -11.726 876 H ARG 116 H ARG 116 12.485 1.749 -11.842 877 HA ARG 116 HA ARG 116 12.861 -0.641 -10.091 878 HB2 ARG 116 2HB ARG 116 14.913 0.335 -11.156 879 HB3 ARG 116 1HB ARG 116 14.574 1.860 -10.332 880 HG2 ARG 116 2HG ARG 116 14.692 0.681 -8.148 881 HG3 ARG 116 1HG ARG 116 15.109 -0.809 -8.995 882 HD2 ARG 116 2HD ARG 116 17.090 0.364 -9.980 883 HD3 ARG 116 1HD ARG 116 16.704 1.768 -8.986 884 HE ARG 116 HE ARG 116 16.862 -0.426 -7.228 885 HH11 ARG 116 1HH1 ARG 116 18.780 -0.852 -6.108 886 HH12 ARG 116 2HH1 ARG 116 20.279 -0.240 -6.722 887 HH21 ARG 116 1HH2 ARG 116 18.829 1.295 -9.474 888 HH22 ARG 116 2HH2 ARG 116 20.307 0.977 -8.629 889 H VAL 117 H VAL 117 11.930 -0.501 -8.066 890 HA VAL 117 HA VAL 117 11.194 2.239 -7.101 891 HB VAL 117 HB VAL 117 9.644 -0.312 -6.656 892 HG11 VAL 117 1HG1 VAL 117 7.924 1.204 -5.783 893 HG12 VAL 117 2HG1 VAL 117 8.966 2.589 -6.109 894 HG13 VAL 117 3HG1 VAL 117 9.430 1.405 -4.885 895 HG21 VAL 117 1HG2 VAL 117 9.290 0.130 -8.920 896 HG22 VAL 117 2HG2 VAL 117 9.410 1.878 -8.698 897 HG23 VAL 117 3HG2 VAL 117 7.971 1.013 -8.153 898 H GLU 118 H GLU 118 11.680 2.722 -5.032 899 HA GLU 118 HA GLU 118 12.759 0.524 -3.308 900 HB2 GLU 118 2HB GLU 118 13.568 3.458 -3.337 901 HB3 GLU 118 1HB GLU 118 14.230 2.219 -2.272 902 HG2 GLU 118 2HG GLU 118 15.056 0.979 -4.256 903 HG3 GLU 118 1HG GLU 118 14.437 2.259 -5.298 904 H LEU 119 H LEU 119 10.952 0.134 -2.036 905 HA LEU 119 HA LEU 119 9.582 2.514 -0.870 906 HB2 LEU 119 2HB LEU 119 8.213 0.926 -2.253 907 HB3 LEU 119 1HB LEU 119 8.551 -0.324 -1.064 908 HG LEU 119 HG LEU 119 7.517 2.237 0.026 909 HD11 LEU 119 1HD1 LEU 119 5.979 2.242 -1.732 910 HD12 LEU 119 2HD1 LEU 119 5.144 1.253 -0.534 911 HD13 LEU 119 3HD1 LEU 119 5.990 0.483 -1.878 912 HD21 LEU 119 1HD2 LEU 119 8.001 -0.131 1.140 913 HD22 LEU 119 2HD2 LEU 119 6.386 -0.493 0.536 914 HD23 LEU 119 3HD2 LEU 119 6.628 0.843 1.661 915 H ALA 120 H ALA 120 9.717 2.844 1.289 916 HA ALA 120 HA ALA 120 10.614 0.569 3.009 917 HB1 ALA 120 1HB ALA 120 12.400 1.723 3.808 918 HB2 ALA 120 2HB ALA 120 11.508 3.242 3.859 919 HB3 ALA 120 3HB ALA 120 12.231 2.695 2.347 920 H HIS 121 H HIS 121 9.182 0.257 4.646 921 HA HIS 121 HA HIS 121 7.355 2.507 5.359 922 HB2 HIS 121 2HB HIS 121 5.733 0.942 5.886 923 HB3 HIS 121 1HB HIS 121 6.613 0.037 4.658 924 HD1 HIS 121 1HD HIS 121 6.703 0.494 8.451 925 HD2 HIS 121 2HD HIS 121 7.495 -2.414 5.569 926 HE1 HIS 121 1HE HIS 121 7.276 -1.629 9.713 927 HE2 HIS 121 2HE HIS 121 7.769 -3.401 7.967 928 H VAL 122 H VAL 122 7.865 3.564 7.211 929 HA VAL 122 HA VAL 122 9.291 2.037 9.349 930 HB VAL 122 HB VAL 122 10.612 4.111 9.787 931 HG11 VAL 122 1HG1 VAL 122 12.208 3.351 8.366 932 HG12 VAL 122 2HG1 VAL 122 11.210 3.664 6.946 933 HG13 VAL 122 3HG1 VAL 122 11.003 2.169 7.857 934 HG21 VAL 122 1HG2 VAL 122 10.274 6.047 8.625 935 HG22 VAL 122 2HG2 VAL 122 8.689 5.359 8.274 936 HG23 VAL 122 3HG2 VAL 122 9.999 5.196 7.105 937 H LYS 123 H LYS 123 9.166 3.088 11.476 938 HA LYS 123 HA LYS 123 7.928 3.899 13.268 939 HB2 LYS 123 2HB LYS 123 7.274 5.865 11.086 940 HB3 LYS 123 1HB LYS 123 6.492 5.991 12.661 941 HG2 LYS 123 2HG LYS 123 8.442 7.372 12.774 942 HG3 LYS 123 1HG LYS 123 8.826 5.914 13.685 943 HD2 LYS 123 2HD LYS 123 10.063 4.997 11.819 944 HD3 LYS 123 1HD LYS 123 9.546 6.318 10.771 945 HE2 LYS 123 2HE LYS 123 11.862 6.236 12.367 946 HE3 LYS 123 1HE LYS 123 11.223 7.633 11.500 947 HZ1 LYS 123 1HZ LYS 123 11.530 8.013 13.907 948 HZ2 LYS 123 2HZ LYS 123 10.360 6.821 14.221 949 HZ3 LYS 123 3HZ LYS 123 9.929 8.242 13.394 950 H LEU 124 H LEU 124 6.755 1.770 11.567 951 HA LEU 124 HA LEU 124 3.885 2.260 11.451 952 HB2 LEU 124 2HB LEU 124 5.672 -0.132 11.191 953 HB3 LEU 124 1HB LEU 124 3.935 -0.368 11.399 954 HG LEU 124 HG LEU 124 4.755 -0.234 8.990 955 HD11 LEU 124 1HD1 LEU 124 2.588 0.237 8.641 956 HD12 LEU 124 2HD1 LEU 124 2.933 1.948 8.888 957 HD13 LEU 124 3HD1 LEU 124 2.466 0.937 10.254 958 HD21 LEU 124 1HD2 LEU 124 4.884 2.739 9.479 959 HD22 LEU 124 2HD2 LEU 124 5.463 1.827 8.087 960 HD23 LEU 124 3HD2 LEU 124 6.324 1.733 9.621 961 H HIS 125 H HIS 125 6.142 0.757 13.726 962 HA HIS 125 HA HIS 125 4.181 -0.171 15.582 963 HB2 HIS 125 2HB HIS 125 6.558 -0.859 15.703 964 HB3 HIS 125 1HB HIS 125 6.993 0.789 16.153 965 HD1 HIS 125 1HD HIS 125 3.803 -0.513 17.500 966 HD2 HIS 125 2HD HIS 125 7.763 -0.231 18.778 967 HE1 HIS 125 1HE HIS 125 3.784 -0.967 19.989 968 HE2 HIS 125 2HE HIS 125 6.189 -0.801 20.781 969 H ARG 126 H ARG 126 5.694 2.942 15.043 970 HA ARG 126 HA ARG 126 4.969 4.324 17.377 971 HB2 ARG 126 2HB ARG 126 6.258 5.300 15.458 972 HB3 ARG 126 1HB ARG 126 4.746 5.401 14.560 973 HG2 ARG 126 2HG ARG 126 3.793 6.825 16.358 974 HG3 ARG 126 1HG ARG 126 5.346 6.776 17.192 975 HD2 ARG 126 2HD ARG 126 6.426 7.782 15.190 976 HD3 ARG 126 1HD ARG 126 4.844 7.896 14.418 977 HE ARG 126 HE ARG 126 4.436 9.806 15.728 978 HH11 ARG 126 1HH1 ARG 126 4.890 11.256 17.401 979 HH12 ARG 126 2HH1 ARG 126 6.114 10.862 18.561 980 HH21 ARG 126 1HH2 ARG 126 6.885 7.810 17.108 981 HH22 ARG 126 2HH2 ARG 126 7.244 8.912 18.395 982 H HIS 127 H HIS 127 3.008 3.174 14.731 983 HA HIS 127 HA HIS 127 0.659 4.719 15.255 984 HB2 HIS 127 2HB HIS 127 -0.221 3.507 13.542 985 HB3 HIS 127 1HB HIS 127 1.396 2.829 13.376 986 HD1 HIS 127 1HD HIS 127 1.506 0.944 15.783 987 HD2 HIS 127 2HD HIS 127 -1.823 1.306 13.305 988 HE1 HIS 127 1HE HIS 127 0.144 -1.170 16.098 989 HE2 HIS 127 2HE HIS 127 -1.902 -0.948 14.622 990 H GLY 128 H GLY 128 2.201 2.430 17.148 991 HA2 GLY 128 2HA GLY 128 1.409 1.957 19.398 992 HA3 GLY 128 1HA GLY 128 -0.245 2.095 18.799 993 H ASP 129 H ASP 129 -0.928 0.030 19.439 994 HA ASP 129 HA ASP 129 0.566 -2.286 18.297 995 HB2 ASP 129 2HB ASP 129 -1.533 -2.140 20.483 996 HB3 ASP 129 1HB ASP 129 -0.818 -3.639 19.887 997 H GLY 130 H GLY 130 -0.616 -3.880 17.084 998 HA2 GLY 130 2HA GLY 130 -2.620 -4.721 16.017 999 HA3 GLY 130 1HA GLY 130 -3.398 -3.164 16.318 1000 H ALA 131 H ALA 131 -0.290 -2.598 15.216 1001 HA ALA 131 HA ALA 131 -1.147 -1.439 12.742 1002 HB1 ALA 131 1HB ALA 131 0.901 -0.551 13.131 1003 HB2 ALA 131 2HB ALA 131 1.539 -2.011 12.376 1004 HB3 ALA 131 3HB ALA 131 1.394 -1.918 14.131 1005 H TRP 132 H TRP 132 0.367 -4.587 13.487 1006 HA TRP 132 HA TRP 132 0.584 -5.477 10.793 1007 HB2 TRP 132 2HB TRP 132 1.616 -6.607 12.788 1008 HB3 TRP 132 1HB TRP 132 0.015 -7.237 13.190 1009 HD1 TRP 132 HD TRP 132 -0.948 -9.171 11.709 1010 HE1 TRP 132 1HE TRP 132 0.066 -10.640 9.848 1011 HE3 TRP 132 3HE TRP 132 3.361 -6.592 10.804 1012 HZ2 TRP 132 2HZ TRP 132 2.398 -10.704 8.196 1013 HZ3 TRP 132 3HZ TRP 132 4.963 -7.378 9.082 1014 HH2 TRP 132 HH TRP 132 4.487 -9.433 7.778 1015 H ASN 133 H ASN 133 -2.088 -5.693 13.119 1016 HA ASN 133 HA ASN 133 -3.818 -7.358 11.620 1017 HB2 ASN 133 2HB ASN 133 -4.463 -5.013 13.434 1018 HB3 ASN 133 1HB ASN 133 -5.661 -6.165 12.838 1019 HD21 ASN 133 1HD2 ASN 133 -5.139 -5.901 15.642 1020 HD22 ASN 133 2HD2 ASN 133 -4.402 -7.330 16.187 1021 H ILE 134 H ILE 134 -3.367 -3.833 11.485 1022 HA ILE 134 HA ILE 134 -5.321 -3.298 9.495 1023 HB ILE 134 HB ILE 134 -2.688 -1.952 10.116 1024 HG12 ILE 134 2HG1 ILE 134 -5.515 -1.135 10.835 1025 HG13 ILE 134 1HG1 ILE 134 -4.484 -2.085 11.909 1026 HG21 ILE 134 1HG2 ILE 134 -4.290 -0.039 9.023 1027 HG22 ILE 134 2HG2 ILE 134 -4.747 -1.452 8.070 1028 HG23 ILE 134 3HG2 ILE 134 -3.064 -0.932 8.126 1029 HD11 ILE 134 1HD1 ILE 134 -3.099 -0.318 12.369 1030 HD12 ILE 134 2HD1 ILE 134 -4.553 0.603 11.993 1031 HD13 ILE 134 3HD1 ILE 134 -3.298 0.397 10.770 1032 H HIS 135 H HIS 135 -1.901 -4.192 9.324 1033 HA HIS 135 HA HIS 135 -1.672 -4.149 6.471 1034 HB2 HIS 135 2HB HIS 135 0.391 -4.262 7.618 1035 HB3 HIS 135 1HB HIS 135 -0.168 -5.571 8.665 1036 HD1 HIS 135 1HD HIS 135 -0.849 -5.692 5.015 1037 HD2 HIS 135 2HD HIS 135 1.850 -7.375 7.704 1038 HE1 HIS 135 1HE HIS 135 0.253 -7.594 3.782 1039 HE2 HIS 135 2HE HIS 135 1.936 -8.622 5.401 1040 H LYS 136 H LYS 136 -2.829 -6.558 8.775 1041 HA LYS 136 HA LYS 136 -2.893 -8.832 7.122 1042 HB2 LYS 136 2HB LYS 136 -3.571 -8.732 9.559 1043 HB3 LYS 136 1HB LYS 136 -5.098 -8.046 9.028 1044 HG2 LYS 136 2HG LYS 136 -5.503 -10.024 7.631 1045 HG3 LYS 136 1HG LYS 136 -3.993 -10.726 8.198 1046 HD2 LYS 136 2HD LYS 136 -4.874 -10.562 10.545 1047 HD3 LYS 136 1HD LYS 136 -6.422 -10.046 9.875 1048 HE2 LYS 136 2HE LYS 136 -6.857 -12.295 9.936 1049 HE3 LYS 136 1HE LYS 136 -6.014 -12.262 8.387 1050 HZ1 LYS 136 1HZ LYS 136 -4.823 -13.859 9.454 1051 HZ2 LYS 136 2HZ LYS 136 -5.079 -13.197 10.998 1052 HZ3 LYS 136 3HZ LYS 136 -3.938 -12.500 9.951 1053 H ALA 137 H ALA 137 -5.054 -6.033 7.226 1054 HA ALA 137 HA ALA 137 -7.005 -7.101 5.394 1055 HB1 ALA 137 1HB ALA 137 -7.755 -5.169 6.477 1056 HB2 ALA 137 2HB ALA 137 -7.312 -4.539 4.892 1057 HB3 ALA 137 3HB ALA 137 -6.217 -4.333 6.258 1058 H LEU 138 H LEU 138 -4.031 -5.198 4.959 1059 HA LEU 138 HA LEU 138 -4.250 -4.976 2.102 1060 HB2 LEU 138 2HB LEU 138 -1.747 -5.001 3.810 1061 HB3 LEU 138 1HB LEU 138 -1.870 -4.397 2.162 1062 HG LEU 138 HG LEU 138 -3.338 -3.297 4.575 1063 HD11 LEU 138 1HD1 LEU 138 -1.535 -1.977 4.831 1064 HD12 LEU 138 2HD1 LEU 138 -1.748 -1.378 3.186 1065 HD13 LEU 138 3HD1 LEU 138 -0.739 -2.792 3.485 1066 HD21 LEU 138 1HD2 LEU 138 -3.744 -1.452 2.694 1067 HD22 LEU 138 2HD2 LEU 138 -4.828 -2.834 2.860 1068 HD23 LEU 138 3HD2 LEU 138 -3.570 -2.844 1.625 1069 H ASP 139 H ASP 139 -3.238 -7.532 4.231 1070 HA ASP 139 HA ASP 139 -2.651 -9.738 3.835 1071 HB2 ASP 139 2HB ASP 139 -3.845 -9.017 1.178 1072 HB3 ASP 139 1HB ASP 139 -3.139 -10.600 1.468 1073 H GLY 140 H GLY 140 -0.548 -10.082 3.979 1074 HA2 GLY 140 2HA GLY 140 1.138 -9.595 1.566 1075 HA3 GLY 140 1HA GLY 140 1.735 -9.161 3.171 1076 HA PRO 141 HA PRO 141 1.069 -14.064 2.996 1077 HB2 PRO 141 2HB PRO 141 1.640 -14.320 0.081 1078 HB3 PRO 141 1HB PRO 141 0.507 -15.235 1.095 1079 HG2 PRO 141 2HG PRO 141 -0.339 -13.376 -0.612 1080 HG3 PRO 141 1HG PRO 141 -1.123 -13.629 0.956 1081 HD2 PRO 141 2HD PRO 141 0.694 -11.417 0.097 1082 HD3 PRO 141 1HD PRO 141 -0.658 -11.387 1.250 1083 H SER 142 H SER 142 2.890 -15.226 3.526 1084 HA SER 142 HA SER 142 5.472 -14.096 3.357 1085 HB2 SER 142 2HB SER 142 5.864 -15.793 4.779 1086 HB3 SER 142 1HB SER 142 4.293 -16.483 4.385 1087 HG SER 142 HG SER 142 5.523 -18.022 3.603 1088 HA PRO 143 HA PRO 143 6.279 -16.758 -0.502 1089 HB2 PRO 143 2HB PRO 143 4.261 -18.209 -1.601 1090 HB3 PRO 143 1HB PRO 143 5.250 -18.809 -0.256 1091 HG2 PRO 143 2HG PRO 143 2.475 -17.819 -0.259 1092 HG3 PRO 143 1HG PRO 143 3.266 -18.972 0.824 1093 HD2 PRO 143 2HD PRO 143 2.738 -16.233 1.355 1094 HD3 PRO 143 1HD PRO 143 3.714 -17.338 2.344 1095 H GLY 144 H GLY 144 2.797 -16.108 -1.055 1096 HA2 GLY 144 2HA GLY 144 3.338 -14.817 -3.604 1097 HA3 GLY 144 1HA GLY 144 1.771 -14.890 -2.793 1098 H GLU 145 H GLU 145 4.862 -13.568 -1.638 1099 HA GLU 145 HA GLU 145 3.853 -11.364 -0.281 1100 HB2 GLU 145 2HB GLU 145 6.392 -11.334 -1.921 1101 HB3 GLU 145 1HB GLU 145 6.027 -10.328 -0.523 1102 HG2 GLU 145 2HG GLU 145 5.835 -12.400 0.860 1103 HG3 GLU 145 1HG GLU 145 6.360 -13.335 -0.540 1104 H THR 146 H THR 146 4.213 -8.973 -1.044 1105 HA THR 146 HA THR 146 2.352 -8.376 -3.089 1106 HB THR 146 HB THR 146 4.625 -6.518 -2.474 1107 HG1 THR 146 1HG THR 146 4.096 -6.435 -0.463 1108 HG21 THR 146 1HG2 THR 146 1.723 -5.812 -2.467 1109 HG22 THR 146 2HG2 THR 146 2.503 -6.146 -4.013 1110 HG23 THR 146 3HG2 THR 146 3.110 -4.851 -2.981 1111 H LEU 147 H LEU 147 5.901 -8.376 -3.204 1112 HA LEU 147 HA LEU 147 6.253 -7.569 -5.869 1113 HB2 LEU 147 2HB LEU 147 7.859 -9.454 -4.132 1114 HB3 LEU 147 1HB LEU 147 8.411 -8.874 -5.704 1115 HG LEU 147 HG LEU 147 7.439 -6.783 -3.842 1116 HD11 LEU 147 1HD1 LEU 147 9.604 -6.754 -2.623 1117 HD12 LEU 147 2HD1 LEU 147 10.043 -8.276 -3.400 1118 HD13 LEU 147 3HD1 LEU 147 8.681 -8.217 -2.282 1119 HD21 LEU 147 1HD2 LEU 147 8.400 -6.295 -6.064 1120 HD22 LEU 147 2HD2 LEU 147 9.885 -7.115 -5.593 1121 HD23 LEU 147 3HD2 LEU 147 9.410 -5.621 -4.779 1122 H ALA 148 H ALA 148 5.532 -10.796 -4.589 1123 HA ALA 148 HA ALA 148 5.965 -12.148 -7.095 1124 HB1 ALA 148 1HB ALA 148 4.020 -13.529 -5.522 1125 HB2 ALA 148 2HB ALA 148 5.248 -12.865 -4.441 1126 HB3 ALA 148 3HB ALA 148 5.722 -13.932 -5.764 1127 H ARG 149 H ARG 149 2.922 -11.229 -5.455 1128 HA ARG 149 HA ARG 149 1.331 -12.045 -7.715 1129 HB2 ARG 149 2HB ARG 149 -0.439 -10.631 -6.377 1130 HB3 ARG 149 1HB ARG 149 0.142 -12.170 -5.745 1131 HG2 ARG 149 2HG ARG 149 1.301 -11.188 -4.043 1132 HG3 ARG 149 1HG ARG 149 1.767 -9.800 -5.027 1133 HD2 ARG 149 2HD ARG 149 -0.340 -8.747 -4.727 1134 HD3 ARG 149 1HD ARG 149 -1.075 -10.219 -4.097 1135 HE ARG 149 HE ARG 149 0.866 -9.754 -2.246 1136 HH11 ARG 149 1HH1 ARG 149 0.682 -8.348 -0.485 1137 HH12 ARG 149 2HH1 ARG 149 -0.401 -7.000 -0.580 1138 HH21 ARG 149 1HH2 ARG 149 -1.466 -7.743 -3.795 1139 HH22 ARG 149 2HH2 ARG 149 -1.618 -6.658 -2.453 1140 H PHE 150 H PHE 150 1.972 -8.743 -6.421 1141 HA PHE 150 HA PHE 150 0.567 -7.465 -8.568 1142 HB2 PHE 150 2HB PHE 150 0.833 -5.679 -7.262 1143 HB3 PHE 150 1HB PHE 150 1.831 -6.653 -6.179 1144 HD1 PHE 150 1HD PHE 150 4.320 -6.959 -6.899 1145 HD2 PHE 150 2HD PHE 150 1.757 -3.857 -8.374 1146 HE1 PHE 150 1HE PHE 150 6.302 -5.653 -7.542 1147 HE2 PHE 150 2HE PHE 150 3.743 -2.531 -9.033 1148 HZ PHE 150 HZ PHE 150 6.012 -3.424 -8.626 1149 H ALA 151 H ALA 151 4.020 -8.270 -8.205 1150 HA ALA 151 HA ALA 151 4.827 -6.720 -10.499 1151 HB1 ALA 151 1HB ALA 151 6.951 -7.647 -10.198 1152 HB2 ALA 151 2HB ALA 151 6.305 -9.164 -9.575 1153 HB3 ALA 151 3HB ALA 151 6.268 -7.711 -8.573 1154 H ASN 152 H ASN 152 3.913 -10.119 -10.081 1155 HA ASN 152 HA ASN 152 4.569 -10.914 -12.759 1156 HB2 ASN 152 2HB ASN 152 3.739 -12.963 -12.190 1157 HB3 ASN 152 1HB ASN 152 3.851 -12.291 -10.564 1158 HD21 ASN 152 1HD2 ASN 152 1.869 -11.635 -9.504 1159 HD22 ASN 152 2HD2 ASN 152 0.343 -12.047 -10.130 1160 H VAL 153 H VAL 153 1.537 -9.694 -11.345 1161 HA VAL 153 HA VAL 153 -0.006 -10.076 -13.738 1162 HB VAL 153 HB VAL 153 -1.553 -8.388 -12.694 1163 HG11 VAL 153 1HG1 VAL 153 -2.200 -9.849 -10.860 1164 HG12 VAL 153 2HG1 VAL 153 -0.585 -10.557 -10.811 1165 HG13 VAL 153 3HG1 VAL 153 -1.633 -10.846 -12.200 1166 HG21 VAL 153 1HG2 VAL 153 0.013 -6.979 -11.538 1167 HG22 VAL 153 2HG2 VAL 153 0.663 -8.349 -10.648 1168 HG23 VAL 153 3HG2 VAL 153 -0.966 -7.777 -10.309 1169 H ILE 154 H ILE 154 1.884 -7.320 -12.516 1170 HA ILE 154 HA ILE 154 1.107 -5.507 -14.586 1171 HB ILE 154 HB ILE 154 3.578 -5.645 -12.865 1172 HG12 ILE 154 2HG1 ILE 154 1.172 -3.806 -12.784 1173 HG13 ILE 154 1HG1 ILE 154 1.401 -5.197 -11.730 1174 HG21 ILE 154 1HG2 ILE 154 3.350 -3.049 -13.744 1175 HG22 ILE 154 2HG2 ILE 154 2.912 -3.972 -15.179 1176 HG23 ILE 154 3HG2 ILE 154 4.468 -4.245 -14.397 1177 HD11 ILE 154 1HD1 ILE 154 2.162 -3.239 -10.535 1178 HD12 ILE 154 2HD1 ILE 154 3.163 -2.743 -11.902 1179 HD13 ILE 154 3HD1 ILE 154 3.577 -4.192 -10.985 1180 HBC 969 201 HBC PDM 155 5.311 -8.993 2.983 1181 HBD 969 201 HBD PDM 155 6.234 -9.691 1.630 1182 HBE 969 201 HBE PDM 155 4.478 -9.961 1.743 1183 HBA 969 201 HBA PDM 155 4.366 -8.216 0.273 1184 HBB 969 201 HBB PDM 155 4.573 -7.223 1.733 1185 HA0 969 201 0HA PDM 155 7.119 -8.682 -1.041 1186 HAY 969 201 HAY PDM 155 6.924 -6.964 -1.466 1187 HAZ 969 201 HAZ PDM 155 5.496 -8.018 -1.334 1188 HBF 969 201 HBF PDM 155 7.665 -8.942 0.862 1189 HAQ 969 201 HAQ PDM 155 5.688 -4.815 -4.364 1190 HAL 969 201 HAL PDM 155 7.468 -4.069 -7.329 1191 HAM 969 201 HAM PDM 155 9.274 -2.373 -7.299 1192 HAN 969 201 HAN PDM 155 10.223 -1.617 -5.143 1193 HAE 969 201 HAE PDM 155 10.309 -1.777 -0.340 1194 HAS 969 201 HAS PDM 155 9.112 -1.976 2.591 1195 HAT 969 201 HAT PDM 155 10.682 -2.306 1.816 1196 HAU 969 201 HAU PDM 155 9.811 -3.614 2.650 1197 HAV 969 201 HAV PDM 155 6.147 -5.942 2.858 Start of MODEL 16 1 H1 MET 1 1HT MET 1 3.861 -10.561 9.067 2 H2 MET 1 2HT MET 1 5.258 -10.676 10.026 3 H3 MET 1 3HT MET 1 4.019 -9.593 10.450 4 HA MET 1 HA MET 1 2.548 -11.690 10.552 5 HB2 MET 1 2HB MET 1 5.155 -12.759 9.988 6 HB3 MET 1 1HB MET 1 4.643 -13.304 11.585 7 HG2 MET 1 2HG MET 1 3.830 -14.884 9.923 8 HG3 MET 1 1HG MET 1 2.454 -14.002 10.588 9 HE1 MET 1 1HE MET 1 0.694 -13.738 9.148 10 HE2 MET 1 2HE MET 1 1.310 -15.130 8.261 11 HE3 MET 1 3HE MET 1 0.741 -13.714 7.380 12 HA PRO 2 HA PRO 2 4.865 -11.151 14.858 13 HB2 PRO 2 2HB PRO 2 6.308 -8.630 14.281 14 HB3 PRO 2 1HB PRO 2 6.859 -10.072 15.156 15 HG2 PRO 2 2HG PRO 2 7.747 -9.459 12.703 16 HG3 PRO 2 1HG PRO 2 7.548 -11.131 13.253 17 HD2 PRO 2 2HD PRO 2 5.834 -9.542 11.390 18 HD3 PRO 2 1HD PRO 2 6.196 -11.285 11.384 19 H GLU 3 H GLU 3 3.895 -9.909 16.516 20 HA GLU 3 HA GLU 3 1.640 -8.316 15.814 21 HB2 GLU 3 2HB GLU 3 3.159 -8.571 18.419 22 HB3 GLU 3 1HB GLU 3 1.615 -7.737 18.251 23 HG2 GLU 3 2HG GLU 3 2.098 -10.641 17.533 24 HG3 GLU 3 1HG GLU 3 1.328 -10.080 19.012 25 H GLU 4 H GLU 4 4.984 -7.503 16.530 26 HA GLU 4 HA GLU 4 4.348 -4.611 16.509 27 HB2 GLU 4 2HB GLU 4 5.977 -5.533 18.166 28 HB3 GLU 4 1HB GLU 4 7.027 -5.969 16.819 29 HG2 GLU 4 2HG GLU 4 7.048 -3.582 16.101 30 HG3 GLU 4 1HG GLU 4 6.091 -3.175 17.526 31 H ILE 5 H ILE 5 5.156 -3.200 14.920 32 HA ILE 5 HA ILE 5 6.151 -4.537 12.441 33 HB ILE 5 HB ILE 5 4.885 -1.902 12.148 34 HG12 ILE 5 2HG1 ILE 5 3.485 -2.859 13.953 35 HG13 ILE 5 1HG1 ILE 5 2.605 -2.712 12.440 36 HG21 ILE 5 1HG2 ILE 5 4.516 -4.599 10.849 37 HG22 ILE 5 2HG2 ILE 5 5.518 -3.278 10.247 38 HG23 ILE 5 3HG2 ILE 5 3.764 -3.103 10.302 39 HD11 ILE 5 1HD1 ILE 5 4.015 -5.265 12.744 40 HD12 ILE 5 2HD1 ILE 5 2.367 -4.943 12.226 41 HD13 ILE 5 3HD1 ILE 5 2.753 -5.001 13.943 42 HA PRO 6 HA PRO 6 9.420 -1.563 13.671 43 HB2 PRO 6 2HB PRO 6 11.542 -3.124 12.947 44 HB3 PRO 6 1HB PRO 6 10.730 -3.256 14.520 45 HG2 PRO 6 2HG PRO 6 10.570 -5.019 12.158 46 HG3 PRO 6 1HG PRO 6 10.388 -5.403 13.876 47 HD2 PRO 6 2HD PRO 6 8.293 -5.096 12.025 48 HD3 PRO 6 1HD PRO 6 8.124 -5.129 13.793 49 H ASP 7 H ASP 7 11.202 -0.578 12.305 50 HA ASP 7 HA ASP 7 10.217 -0.016 9.665 51 HB2 ASP 7 2HB ASP 7 12.312 1.311 9.446 52 HB3 ASP 7 1HB ASP 7 11.443 1.664 10.939 53 H VAL 8 H VAL 8 10.608 -1.066 7.803 54 HA VAL 8 HA VAL 8 13.090 -2.692 7.540 55 HB VAL 8 HB VAL 8 11.203 -4.219 8.148 56 HG11 VAL 8 1HG1 VAL 8 9.713 -2.532 6.545 57 HG12 VAL 8 2HG1 VAL 8 9.181 -4.108 7.129 58 HG13 VAL 8 3HG1 VAL 8 9.906 -3.959 5.528 59 HG21 VAL 8 1HG2 VAL 8 11.748 -5.838 6.527 60 HG22 VAL 8 2HG2 VAL 8 13.129 -4.743 6.469 61 HG23 VAL 8 3HG2 VAL 8 11.870 -4.640 5.238 62 H ARG 9 H ARG 9 13.971 -2.574 5.453 63 HA ARG 9 HA ARG 9 12.373 -1.028 3.443 64 HB2 ARG 9 2HB ARG 9 14.191 0.335 4.469 65 HB3 ARG 9 1HB ARG 9 15.359 -0.859 3.898 66 HG2 ARG 9 2HG ARG 9 14.621 -0.461 1.570 67 HG3 ARG 9 1HG ARG 9 13.485 0.758 2.147 68 HD2 ARG 9 2HD ARG 9 15.402 2.025 3.123 69 HD3 ARG 9 1HD ARG 9 16.504 0.842 2.420 70 HE ARG 9 HE ARG 9 15.115 1.642 0.223 71 HH11 ARG 9 1HH1 ARG 9 15.568 3.482 -1.009 72 HH12 ARG 9 2HH1 ARG 9 16.346 4.838 -0.263 73 HH21 ARG 9 1HH2 ARG 9 16.550 3.340 2.857 74 HH22 ARG 9 2HH2 ARG 9 16.902 4.757 1.926 75 H LYS 10 H LYS 10 12.168 -2.029 1.516 76 HA LYS 10 HA LYS 10 14.240 -4.015 0.713 77 HB2 LYS 10 2HB LYS 10 11.248 -4.472 0.494 78 HB3 LYS 10 1HB LYS 10 12.508 -5.561 -0.080 79 HG2 LYS 10 2HG LYS 10 13.367 -5.743 2.256 80 HG3 LYS 10 1HG LYS 10 12.009 -4.756 2.800 81 HD2 LYS 10 2HD LYS 10 10.449 -6.444 1.811 82 HD3 LYS 10 1HD LYS 10 11.843 -7.454 1.427 83 HE2 LYS 10 2HE LYS 10 10.979 -6.559 4.191 84 HE3 LYS 10 1HE LYS 10 10.883 -8.196 3.541 85 HZ1 LYS 10 1HZ LYS 10 12.923 -8.511 4.306 86 HZ2 LYS 10 2HZ LYS 10 13.085 -6.876 4.742 87 HZ3 LYS 10 3HZ LYS 10 13.491 -7.384 3.172 88 H SER 11 H SER 11 14.316 -4.312 -1.635 89 HA SER 11 HA SER 11 12.769 -2.351 -3.222 90 HB2 SER 11 2HB SER 11 14.761 -1.441 -4.268 91 HB3 SER 11 1HB SER 11 14.856 -1.226 -2.520 92 HG SER 11 HG SER 11 15.876 -3.586 -3.046 93 H VAL 12 H VAL 12 12.494 -2.975 -5.371 94 HA VAL 12 HA VAL 12 13.987 -5.252 -6.465 95 HB VAL 12 HB VAL 12 11.119 -5.433 -5.625 96 HG11 VAL 12 1HG1 VAL 12 12.489 -6.833 -7.915 97 HG12 VAL 12 2HG1 VAL 12 10.925 -6.018 -7.911 98 HG13 VAL 12 3HG1 VAL 12 11.116 -7.563 -7.082 99 HG21 VAL 12 1HG2 VAL 12 12.628 -6.439 -4.073 100 HG22 VAL 12 2HG2 VAL 12 13.571 -7.181 -5.366 101 HG23 VAL 12 3HG2 VAL 12 11.950 -7.771 -5.006 102 H VAL 13 H VAL 13 13.522 -5.538 -8.762 103 HA VAL 13 HA VAL 13 12.261 -3.107 -9.943 104 HB VAL 13 HB VAL 13 14.405 -4.904 -11.098 105 HG11 VAL 13 1HG1 VAL 13 14.195 -2.318 -12.317 106 HG12 VAL 13 2HG1 VAL 13 12.597 -3.062 -12.321 107 HG13 VAL 13 3HG1 VAL 13 13.960 -3.896 -13.066 108 HG21 VAL 13 1HG2 VAL 13 15.933 -3.496 -10.178 109 HG22 VAL 13 2HG2 VAL 13 14.623 -3.034 -9.090 110 HG23 VAL 13 3HG2 VAL 13 14.955 -2.071 -10.529 111 H VAL 14 H VAL 14 10.696 -3.332 -11.447 112 HA VAL 14 HA VAL 14 9.935 -6.110 -12.259 113 HB VAL 14 HB VAL 14 8.366 -5.255 -10.568 114 HG11 VAL 14 1HG1 VAL 14 8.917 -2.795 -11.778 115 HG12 VAL 14 2HG1 VAL 14 7.734 -3.088 -10.504 116 HG13 VAL 14 3HG1 VAL 14 7.234 -3.118 -12.194 117 HG21 VAL 14 1HG2 VAL 14 7.455 -6.609 -12.437 118 HG22 VAL 14 2HG2 VAL 14 7.196 -5.136 -13.372 119 HG23 VAL 14 3HG2 VAL 14 6.287 -5.408 -11.890 120 H ALA 15 H ALA 15 8.896 -6.230 -14.378 121 HA ALA 15 HA ALA 15 10.000 -4.315 -16.266 122 HB1 ALA 15 1HB ALA 15 9.459 -6.853 -16.615 123 HB2 ALA 15 2HB ALA 15 9.170 -5.734 -17.946 124 HB3 ALA 15 3HB ALA 15 7.824 -6.279 -16.946 125 H ALA 16 H ALA 16 9.046 -2.272 -15.777 126 HA ALA 16 HA ALA 16 6.447 -1.770 -16.910 127 HB1 ALA 16 1HB ALA 16 5.057 -1.658 -15.065 128 HB2 ALA 16 2HB ALA 16 6.381 -1.288 -13.961 129 HB3 ALA 16 3HB ALA 16 6.132 -2.943 -14.515 130 H SER 17 H SER 17 5.880 0.549 -16.681 131 HA SER 17 HA SER 17 8.304 2.188 -16.232 132 HB2 SER 17 2HB SER 17 7.154 3.926 -17.448 133 HB3 SER 17 1HB SER 17 6.897 2.427 -18.336 134 HG SER 17 HG SER 17 5.096 4.068 -17.231 135 H VAL 18 H VAL 18 8.131 4.112 -14.825 136 HA VAL 18 HA VAL 18 6.811 3.561 -12.364 137 HB VAL 18 HB VAL 18 7.530 5.751 -11.674 138 HG11 VAL 18 1HG1 VAL 18 9.671 5.136 -13.649 139 HG12 VAL 18 2HG1 VAL 18 9.205 3.843 -12.544 140 HG13 VAL 18 3HG1 VAL 18 9.787 5.381 -11.907 141 HG21 VAL 18 1HG2 VAL 18 8.420 7.373 -13.375 142 HG22 VAL 18 2HG2 VAL 18 6.688 7.079 -13.531 143 HG23 VAL 18 3HG2 VAL 18 7.817 6.303 -14.642 144 H GLU 19 H GLU 19 5.866 5.534 -15.150 145 HA GLU 19 HA GLU 19 3.551 6.719 -13.978 146 HB2 GLU 19 2HB GLU 19 4.152 5.957 -16.840 147 HB3 GLU 19 1HB GLU 19 2.783 6.944 -16.350 148 HG2 GLU 19 2HG GLU 19 4.350 8.576 -15.322 149 HG3 GLU 19 1HG GLU 19 5.706 7.602 -15.894 150 H HIS 20 H HIS 20 4.044 3.676 -15.729 151 HA HIS 20 HA HIS 20 1.290 2.849 -15.685 152 HB2 HIS 20 2HB HIS 20 2.760 1.709 -17.203 153 HB3 HIS 20 1HB HIS 20 3.869 1.277 -15.896 154 HD1 HIS 20 1HD HIS 20 0.752 0.204 -17.576 155 HD2 HIS 20 2HD HIS 20 2.759 -0.698 -14.022 156 HE1 HIS 20 1HE HIS 20 -0.319 -1.896 -16.653 157 HE2 HIS 20 2HE HIS 20 0.897 -2.457 -14.506 158 H CYS 21 H CYS 21 4.019 2.315 -13.502 159 HA CYS 21 HA CYS 21 2.930 0.429 -11.759 160 HB2 CYS 21 2HB CYS 21 4.660 2.848 -11.190 161 HB3 CYS 21 1HB CYS 21 4.326 1.597 -9.997 162 HG CYS 21 HG CYS 21 6.321 1.355 -12.253 163 H PHE 22 H PHE 22 2.451 3.950 -11.780 164 HA PHE 22 HA PHE 22 0.604 3.761 -9.529 165 HB2 PHE 22 2HB PHE 22 1.902 5.923 -11.010 166 HB3 PHE 22 1HB PHE 22 0.227 6.281 -10.557 167 HD1 PHE 22 1HD PHE 22 -0.319 6.833 -8.335 168 HD2 PHE 22 2HD PHE 22 3.418 4.906 -9.202 169 HE1 PHE 22 1HE PHE 22 0.348 7.057 -5.959 170 HE2 PHE 22 2HE PHE 22 4.089 5.139 -6.832 171 HZ PHE 22 HZ PHE 22 2.555 6.204 -5.214 172 H GLU 23 H GLU 23 0.385 3.691 -12.991 173 HA GLU 23 HA GLU 23 -2.337 4.482 -13.276 174 HB2 GLU 23 2HB GLU 23 -0.842 4.099 -15.209 175 HB3 GLU 23 1HB GLU 23 -0.806 2.379 -14.826 176 HG2 GLU 23 2HG GLU 23 -3.267 2.275 -15.119 177 HG3 GLU 23 1HG GLU 23 -3.267 3.982 -15.572 178 H VAL 24 H VAL 24 -0.828 1.384 -12.467 179 HA VAL 24 HA VAL 24 -3.289 -0.099 -12.363 180 HB VAL 24 HB VAL 24 -0.565 -0.568 -11.112 181 HG11 VAL 24 1HG1 VAL 24 -1.815 -3.002 -11.227 182 HG12 VAL 24 2HG1 VAL 24 -3.147 -1.941 -10.773 183 HG13 VAL 24 3HG1 VAL 24 -1.695 -2.009 -9.777 184 HG21 VAL 24 1HG2 VAL 24 -0.968 -0.614 -13.672 185 HG22 VAL 24 2HG2 VAL 24 -1.899 -2.079 -13.363 186 HG23 VAL 24 3HG2 VAL 24 -0.186 -2.019 -12.947 187 H PHE 25 H PHE 25 -1.361 1.630 -9.921 188 HA PHE 25 HA PHE 25 -2.881 0.828 -7.641 189 HB2 PHE 25 2HB PHE 25 -1.165 3.234 -8.231 190 HB3 PHE 25 1HB PHE 25 -1.962 3.026 -6.681 191 HD1 PHE 25 1HD PHE 25 0.327 3.038 -5.679 192 HD2 PHE 25 2HD PHE 25 -0.938 -0.063 -8.383 193 HE1 PHE 25 1HE PHE 25 2.179 1.593 -4.910 194 HE2 PHE 25 2HE PHE 25 0.902 -1.489 -7.609 195 HZ PHE 25 HZ PHE 25 2.466 -0.676 -5.875 196 H THR 26 H THR 26 -3.248 3.645 -9.790 197 HA THR 26 HA THR 26 -5.631 4.439 -8.255 198 HB THR 26 HB THR 26 -5.645 6.396 -9.809 199 HG1 THR 26 1HG THR 26 -3.460 4.950 -10.817 200 HG21 THR 26 1HG2 THR 26 -3.511 5.649 -7.914 201 HG22 THR 26 2HG2 THR 26 -4.537 7.087 -7.946 202 HG23 THR 26 3HG2 THR 26 -3.112 6.993 -8.984 203 H SER 27 H SER 27 -5.066 2.302 -10.740 204 HA SER 27 HA SER 27 -7.606 2.949 -12.133 205 HB2 SER 27 2HB SER 27 -5.740 2.461 -13.593 206 HB3 SER 27 1HB SER 27 -5.438 0.943 -12.757 207 HG SER 27 HG SER 27 -6.699 0.248 -14.325 208 H ARG 28 H ARG 28 -6.082 0.006 -10.711 209 HA ARG 28 HA ARG 28 -8.552 -0.727 -9.364 210 HB2 ARG 28 2HB ARG 28 -8.609 -2.955 -10.786 211 HB3 ARG 28 1HB ARG 28 -9.466 -1.522 -11.335 212 HG2 ARG 28 2HG ARG 28 -8.193 -2.479 -13.184 213 HG3 ARG 28 1HG ARG 28 -7.510 -0.923 -12.749 214 HD2 ARG 28 2HD ARG 28 -5.715 -2.019 -11.508 215 HD3 ARG 28 1HD ARG 28 -6.438 -3.600 -11.803 216 HE ARG 28 HE ARG 28 -5.812 -2.085 -14.233 217 HH11 ARG 28 1HH1 ARG 28 -4.233 -3.027 -15.548 218 HH12 ARG 28 2HH1 ARG 28 -3.263 -4.319 -14.924 219 HH21 ARG 28 1HH2 ARG 28 -4.796 -4.322 -11.814 220 HH22 ARG 28 2HH2 ARG 28 -3.582 -5.053 -12.810 221 HA PRO 29 HA PRO 29 -4.347 -2.502 -8.093 222 HB2 PRO 29 2HB PRO 29 -4.883 -1.916 -5.386 223 HB3 PRO 29 1HB PRO 29 -3.778 -1.049 -6.466 224 HG2 PRO 29 2HG PRO 29 -6.521 -0.382 -5.651 225 HG3 PRO 29 1HG PRO 29 -5.196 0.678 -6.117 226 HD2 PRO 29 2HD PRO 29 -7.326 0.184 -7.737 227 HD3 PRO 29 1HD PRO 29 -5.706 0.531 -8.377 228 H ALA 30 H ALA 30 -7.639 -2.936 -6.878 229 HA ALA 30 HA ALA 30 -6.931 -5.407 -5.470 230 HB1 ALA 30 1HB ALA 30 -8.753 -4.074 -4.577 231 HB2 ALA 30 2HB ALA 30 -9.396 -5.619 -5.129 232 HB3 ALA 30 3HB ALA 30 -9.619 -4.171 -6.110 233 H ASP 31 H ASP 31 -8.334 -4.548 -8.588 234 HA ASP 31 HA ASP 31 -9.434 -7.035 -9.314 235 HB2 ASP 31 2HB ASP 31 -9.677 -4.941 -10.624 236 HB3 ASP 31 1HB ASP 31 -8.010 -5.121 -11.172 237 H TRP 32 H TRP 32 -5.990 -6.089 -9.380 238 HA TRP 32 HA TRP 32 -5.334 -8.549 -10.847 239 HB2 TRP 32 2HB TRP 32 -3.308 -7.613 -11.204 240 HB3 TRP 32 1HB TRP 32 -3.985 -6.139 -10.518 241 HD1 TRP 32 HD TRP 32 -2.039 -9.282 -9.436 242 HE1 TRP 32 1HE TRP 32 -0.654 -8.698 -7.346 243 HE3 TRP 32 3HE TRP 32 -3.630 -4.528 -8.630 244 HZ2 TRP 32 2HZ TRP 32 -0.294 -6.514 -5.560 245 HZ3 TRP 32 3HZ TRP 32 -2.746 -3.204 -6.715 246 HH2 TRP 32 HH TRP 32 -1.078 -4.194 -5.181 247 H TRP 33 H TRP 33 -5.713 -10.391 -9.747 248 HA TRP 33 HA TRP 33 -4.816 -10.551 -6.897 249 HB2 TRP 33 2HB TRP 33 -6.434 -12.736 -7.297 250 HB3 TRP 33 1HB TRP 33 -6.974 -11.201 -6.617 251 HD1 TRP 33 HD TRP 33 -8.608 -9.769 -8.008 252 HE1 TRP 33 1HE TRP 33 -9.734 -10.044 -10.311 253 HE3 TRP 33 3HE TRP 33 -5.998 -13.780 -9.793 254 HZ2 TRP 33 2HZ TRP 33 -9.553 -11.743 -12.606 255 HZ3 TRP 33 3HZ TRP 33 -6.494 -14.705 -12.038 256 HH2 TRP 33 HH TRP 33 -8.266 -13.692 -13.445 257 HA PRO 34 HA PRO 34 -1.892 -13.687 -7.970 258 HB2 PRO 34 2HB PRO 34 -2.137 -15.414 -5.840 259 HB3 PRO 34 1HB PRO 34 -1.288 -13.861 -5.755 260 HG2 PRO 34 2HG PRO 34 -4.010 -14.584 -4.819 261 HG3 PRO 34 1HG PRO 34 -2.821 -13.483 -4.104 262 HD2 PRO 34 2HD PRO 34 -4.997 -12.619 -5.531 263 HD3 PRO 34 1HD PRO 34 -3.481 -11.703 -5.415 264 HA PRO 35 HA PRO 35 -3.943 -17.065 -9.959 265 HB2 PRO 35 2HB PRO 35 -2.028 -19.042 -9.789 266 HB3 PRO 35 1HB PRO 35 -1.970 -17.698 -10.944 267 HG2 PRO 35 2HG PRO 35 -0.522 -18.050 -8.374 268 HG3 PRO 35 1HG PRO 35 0.025 -17.316 -9.891 269 HD2 PRO 35 2HD PRO 35 -0.746 -15.837 -7.722 270 HD3 PRO 35 1HD PRO 35 -0.916 -15.261 -9.395 271 H SER 36 H SER 36 -5.508 -17.261 -8.104 272 HA SER 36 HA SER 36 -5.205 -19.918 -6.814 273 HB2 SER 36 2HB SER 36 -5.792 -19.074 -4.624 274 HB3 SER 36 1HB SER 36 -4.413 -18.146 -5.207 275 HG SER 36 HG SER 36 -6.058 -16.801 -4.363 276 H HIS 37 H HIS 37 -7.327 -20.666 -5.900 277 HA HIS 37 HA HIS 37 -9.435 -20.418 -7.777 278 HB2 HIS 37 2HB HIS 37 -9.206 -22.285 -6.142 279 HB3 HIS 37 1HB HIS 37 -9.667 -21.177 -4.849 280 HD1 HIS 37 1HD HIS 37 -12.140 -20.499 -4.675 281 HD2 HIS 37 2HD HIS 37 -11.342 -22.944 -7.959 282 HE1 HIS 37 1HE HIS 37 -14.389 -21.207 -5.606 283 HE2 HIS 37 2HE HIS 37 -13.914 -22.695 -7.604 284 H VAL 38 H VAL 38 -8.829 -18.665 -4.753 285 HA VAL 38 HA VAL 38 -11.255 -17.013 -5.271 286 HB VAL 38 HB VAL 38 -9.464 -17.104 -2.823 287 HG11 VAL 38 1HG1 VAL 38 -12.212 -15.890 -3.253 288 HG12 VAL 38 2HG1 VAL 38 -10.706 -14.976 -3.168 289 HG13 VAL 38 3HG1 VAL 38 -11.282 -15.857 -1.754 290 HG21 VAL 38 1HG2 VAL 38 -11.591 -18.240 -1.874 291 HG22 VAL 38 2HG2 VAL 38 -10.541 -19.213 -2.904 292 HG23 VAL 38 3HG2 VAL 38 -12.026 -18.524 -3.559 293 H LEU 39 H LEU 39 -11.049 -14.847 -5.801 294 HA LEU 39 HA LEU 39 -8.700 -13.862 -6.982 295 HB2 LEU 39 2HB LEU 39 -10.989 -12.368 -5.673 296 HB3 LEU 39 1HB LEU 39 -9.723 -11.577 -6.610 297 HG LEU 39 HG LEU 39 -10.293 -13.112 -8.529 298 HD11 LEU 39 1HD1 LEU 39 -12.761 -13.984 -8.260 299 HD12 LEU 39 2HD1 LEU 39 -12.388 -13.937 -6.538 300 HD13 LEU 39 3HD1 LEU 39 -11.425 -14.941 -7.622 301 HD21 LEU 39 1HD2 LEU 39 -12.116 -11.763 -9.265 302 HD22 LEU 39 2HD2 LEU 39 -11.199 -10.736 -8.163 303 HD23 LEU 39 3HD2 LEU 39 -12.688 -11.506 -7.617 304 H VAL 40 H VAL 40 -9.886 -13.235 -3.655 305 HA VAL 40 HA VAL 40 -7.056 -12.867 -2.845 306 HB VAL 40 HB VAL 40 -7.723 -10.586 -3.240 307 HG11 VAL 40 1HG1 VAL 40 -9.852 -10.018 -1.573 308 HG12 VAL 40 2HG1 VAL 40 -10.299 -11.581 -2.255 309 HG13 VAL 40 3HG1 VAL 40 -9.954 -10.222 -3.320 310 HG21 VAL 40 1HG2 VAL 40 -7.005 -9.795 -1.232 311 HG22 VAL 40 2HG2 VAL 40 -6.863 -11.500 -0.808 312 HG23 VAL 40 3HG2 VAL 40 -8.304 -10.595 -0.348 313 H LYS 41 H LYS 41 -6.657 -13.762 -0.848 314 HA LYS 41 HA LYS 41 -8.671 -15.332 0.460 315 HB2 LYS 41 2HB LYS 41 -6.040 -14.260 1.517 316 HB3 LYS 41 1HB LYS 41 -7.014 -15.491 2.317 317 HG2 LYS 41 2HG LYS 41 -6.817 -16.913 0.273 318 HG3 LYS 41 1HG LYS 41 -5.738 -15.706 -0.424 319 HD2 LYS 41 2HD LYS 41 -4.227 -15.980 1.551 320 HD3 LYS 41 1HD LYS 41 -5.269 -17.284 2.120 321 HE2 LYS 41 2HE LYS 41 -4.803 -18.614 0.165 322 HE3 LYS 41 1HE LYS 41 -3.964 -17.272 -0.612 323 HZ1 LYS 41 1HZ LYS 41 -2.901 -19.205 1.096 324 HZ2 LYS 41 2HZ LYS 41 -2.817 -17.715 1.907 325 HZ3 LYS 41 3HZ LYS 41 -2.102 -17.894 0.375 326 H LYS 42 H LYS 42 -7.553 -12.061 0.731 327 HA LYS 42 HA LYS 42 -9.027 -11.465 3.191 328 HB2 LYS 42 2HB LYS 42 -6.933 -10.288 1.697 329 HB3 LYS 42 1HB LYS 42 -8.269 -9.145 1.640 330 HG2 LYS 42 2HG LYS 42 -7.274 -10.420 4.206 331 HG3 LYS 42 1HG LYS 42 -6.695 -8.864 3.615 332 HD2 LYS 42 2HD LYS 42 -9.570 -9.547 4.292 333 HD3 LYS 42 1HD LYS 42 -8.499 -8.541 5.253 334 HE2 LYS 42 2HE LYS 42 -8.271 -7.255 2.893 335 HE3 LYS 42 1HE LYS 42 -9.895 -7.908 2.698 336 HZ1 LYS 42 1HZ LYS 42 -10.548 -6.179 3.911 337 HZ2 LYS 42 2HZ LYS 42 -8.967 -5.808 4.412 338 HZ3 LYS 42 3HZ LYS 42 -9.876 -6.974 5.251 339 H GLU 43 H GLU 43 -10.704 -9.655 3.113 340 HA GLU 43 HA GLU 43 -12.594 -10.199 0.927 341 HB2 GLU 43 2HB GLU 43 -12.816 -8.598 3.480 342 HB3 GLU 43 1HB GLU 43 -14.137 -8.805 2.336 343 HG2 GLU 43 2HG GLU 43 -13.963 -11.270 2.622 344 HG3 GLU 43 1HG GLU 43 -12.690 -11.022 3.817 345 H ARG 44 H ARG 44 -12.061 -9.028 -0.889 346 HA ARG 44 HA ARG 44 -11.820 -6.066 -0.548 347 HB2 ARG 44 2HB ARG 44 -10.364 -7.792 -2.581 348 HB3 ARG 44 1HB ARG 44 -10.309 -6.032 -2.512 349 HG2 ARG 44 2HG ARG 44 -9.430 -6.258 -0.141 350 HG3 ARG 44 1HG ARG 44 -9.254 -7.985 -0.452 351 HD2 ARG 44 2HD ARG 44 -7.864 -7.404 -2.469 352 HD3 ARG 44 1HD ARG 44 -7.915 -5.719 -1.948 353 HE ARG 44 HE ARG 44 -7.002 -7.370 0.217 354 HH11 ARG 44 1HH1 ARG 44 -4.794 -7.339 0.696 355 HH12 ARG 44 2HH1 ARG 44 -3.672 -6.761 -0.489 356 HH21 ARG 44 1HH2 ARG 44 -6.114 -6.076 -2.853 357 HH22 ARG 44 2HH2 ARG 44 -4.419 -6.046 -2.498 358 H ALA 45 H ALA 45 -13.094 -4.871 -2.013 359 HA ALA 45 HA ALA 45 -14.653 -6.464 -4.007 360 HB1 ALA 45 1HB ALA 45 -16.552 -4.772 -3.321 361 HB2 ALA 45 2HB ALA 45 -15.633 -4.666 -1.817 362 HB3 ALA 45 3HB ALA 45 -16.273 -6.221 -2.353 363 H GLY 46 H GLY 46 -13.820 -3.165 -2.928 364 HA2 GLY 46 2HA GLY 46 -13.219 -2.415 -5.703 365 HA3 GLY 46 1HA GLY 46 -14.622 -1.599 -5.018 366 H LEU 47 H LEU 47 -12.464 -0.043 -5.739 367 HA LEU 47 HA LEU 47 -11.648 0.966 -3.096 368 HB2 LEU 47 2HB LEU 47 -9.418 0.878 -5.067 369 HB3 LEU 47 1HB LEU 47 -9.374 0.745 -3.311 370 HG LEU 47 HG LEU 47 -10.413 -1.581 -3.605 371 HD11 LEU 47 1HD1 LEU 47 -10.553 -0.690 -6.283 372 HD12 LEU 47 2HD1 LEU 47 -10.921 -2.308 -5.686 373 HD13 LEU 47 3HD1 LEU 47 -9.296 -1.924 -6.256 374 HD21 LEU 47 1HD2 LEU 47 -7.727 -0.685 -3.784 375 HD22 LEU 47 2HD2 LEU 47 -7.915 -1.995 -4.950 376 HD23 LEU 47 3HD2 LEU 47 -8.308 -2.262 -3.254 377 H ALA 48 H ALA 48 -11.517 3.198 -3.104 378 HA ALA 48 HA ALA 48 -12.036 4.531 -5.711 379 HB1 ALA 48 1HB ALA 48 -13.297 5.979 -4.517 380 HB2 ALA 48 2HB ALA 48 -11.957 6.314 -3.420 381 HB3 ALA 48 3HB ALA 48 -13.033 4.952 -3.109 382 H PHE 49 H PHE 49 -10.493 5.942 -6.597 383 HA PHE 49 HA PHE 49 -8.023 6.406 -4.980 384 HB2 PHE 49 2HB PHE 49 -8.357 4.874 -7.470 385 HB3 PHE 49 1HB PHE 49 -7.054 6.060 -7.510 386 HD1 PHE 49 1HD PHE 49 -5.099 5.833 -6.120 387 HD2 PHE 49 2HD PHE 49 -8.353 3.053 -5.811 388 HE1 PHE 49 1HE PHE 49 -3.656 4.295 -4.820 389 HE2 PHE 49 2HE PHE 49 -6.918 1.517 -4.510 390 HZ PHE 49 HZ PHE 49 -4.561 2.136 -4.020 391 H GLU 50 H GLU 50 -7.539 8.553 -4.988 392 HA GLU 50 HA GLU 50 -8.059 10.044 -7.516 393 HB2 GLU 50 2HB GLU 50 -8.605 11.110 -4.740 394 HB3 GLU 50 1HB GLU 50 -8.781 12.017 -6.234 395 HG2 GLU 50 2HG GLU 50 -10.306 9.513 -5.470 396 HG3 GLU 50 1HG GLU 50 -10.955 11.153 -5.486 397 HA PRO 51 HA PRO 51 -3.763 11.098 -6.745 398 HB2 PRO 51 2HB PRO 51 -3.320 12.791 -8.770 399 HB3 PRO 51 1HB PRO 51 -3.707 11.084 -9.079 400 HG2 PRO 51 2HG PRO 51 -5.486 13.478 -9.218 401 HG3 PRO 51 1HG PRO 51 -5.349 12.111 -10.338 402 HD2 PRO 51 2HD PRO 51 -7.308 12.308 -8.395 403 HD3 PRO 51 1HD PRO 51 -6.731 10.775 -9.090 404 H PHE 52 H PHE 52 -2.568 12.668 -5.621 405 HA PHE 52 HA PHE 52 -2.703 15.415 -5.665 406 HB2 PHE 52 2HB PHE 52 -4.190 15.761 -3.508 407 HB3 PHE 52 1HB PHE 52 -4.932 15.727 -5.101 408 HD1 PHE 52 1HD PHE 52 -3.647 12.548 -3.757 409 HD2 PHE 52 2HD PHE 52 -7.086 15.113 -3.996 410 HE1 PHE 52 1HE PHE 52 -5.091 10.674 -3.059 411 HE2 PHE 52 2HE PHE 52 -8.523 13.224 -3.270 412 HZ PHE 52 HZ PHE 52 -7.507 11.003 -2.800 413 H VAL 53 H VAL 53 -2.091 16.463 -3.459 414 HA VAL 53 HA VAL 53 -0.026 14.744 -2.225 415 HB VAL 53 HB VAL 53 1.020 16.769 -2.393 416 HG11 VAL 53 1HG1 VAL 53 -1.739 18.020 -2.387 417 HG12 VAL 53 2HG1 VAL 53 -0.706 17.738 -3.791 418 HG13 VAL 53 3HG1 VAL 53 -0.238 18.926 -2.574 419 HG21 VAL 53 1HG2 VAL 53 0.867 18.125 -0.420 420 HG22 VAL 53 2HG2 VAL 53 0.526 16.472 0.087 421 HG23 VAL 53 3HG2 VAL 53 -0.796 17.622 -0.123 422 H GLY 54 H GLY 54 -0.155 14.099 0.007 423 HA2 GLY 54 2HA GLY 54 -1.306 13.634 2.033 424 HA3 GLY 54 1HA GLY 54 -2.185 15.155 1.788 425 H GLY 55 H GLY 55 -1.916 12.661 -0.581 426 HA2 GLY 55 2HA GLY 55 -4.704 12.635 -1.140 427 HA3 GLY 55 1HA GLY 55 -3.491 11.547 -1.806 428 H ARG 56 H ARG 56 -5.796 10.350 -1.492 429 HA ARG 56 HA ARG 56 -5.270 8.544 0.787 430 HB2 ARG 56 2HB ARG 56 -7.867 10.071 0.478 431 HB3 ARG 56 1HB ARG 56 -7.654 8.688 1.551 432 HG2 ARG 56 2HG ARG 56 -5.773 9.928 2.668 433 HG3 ARG 56 1HG ARG 56 -6.184 11.335 1.686 434 HD2 ARG 56 2HD ARG 56 -8.026 9.937 3.642 435 HD3 ARG 56 1HD ARG 56 -7.267 11.511 3.872 436 HE ARG 56 HE ARG 56 -8.916 11.306 1.455 437 HH11 ARG 56 1HH1 ARG 56 -10.720 12.669 1.431 438 HH12 ARG 56 2HH1 ARG 56 -11.222 13.444 2.896 439 HH21 ARG 56 1HH2 ARG 56 -8.696 12.045 4.816 440 HH22 ARG 56 2HH2 ARG 56 -10.077 13.090 4.813 441 H TYR 57 H TYR 57 -6.083 6.498 0.505 442 HA TYR 57 HA TYR 57 -7.579 5.964 -2.023 443 HB2 TYR 57 2HB TYR 57 -5.588 4.104 -0.689 444 HB3 TYR 57 1HB TYR 57 -6.398 3.852 -2.232 445 HD1 TYR 57 1HD TYR 57 -6.153 6.371 -3.664 446 HD2 TYR 57 2HD TYR 57 -3.322 4.448 -1.056 447 HE1 TYR 57 1HE TYR 57 -4.304 7.552 -4.797 448 HE2 TYR 57 2HE TYR 57 -1.473 5.630 -2.205 449 HH TYR 57 HH TYR 57 -1.338 6.715 -4.838 450 H TYR 58 H TYR 58 -9.319 4.501 -1.803 451 HA TYR 58 HA TYR 58 -9.984 3.765 1.026 452 HB2 TYR 58 2HB TYR 58 -11.956 4.332 -1.194 453 HB3 TYR 58 1HB TYR 58 -12.268 4.253 0.542 454 HD1 TYR 58 1HD TYR 58 -12.179 6.209 1.837 455 HD2 TYR 58 2HD TYR 58 -10.206 6.107 -1.978 456 HE1 TYR 58 1HE TYR 58 -11.604 8.610 2.065 457 HE2 TYR 58 2HE TYR 58 -9.632 8.498 -1.750 458 HH TYR 58 HH TYR 58 -10.919 10.557 -0.186 459 H GLU 59 H GLU 59 -10.890 1.714 1.389 460 HA GLU 59 HA GLU 59 -10.830 -0.151 -0.956 461 HB2 GLU 59 2HB GLU 59 -8.961 -0.487 0.664 462 HB3 GLU 59 1HB GLU 59 -10.152 -0.777 1.932 463 HG2 GLU 59 2HG GLU 59 -11.077 -2.659 0.576 464 HG3 GLU 59 1HG GLU 59 -9.783 -2.408 -0.596 465 H TRP 60 H TRP 60 -12.517 -1.617 -1.131 466 HA TRP 60 HA TRP 60 -14.764 -1.277 0.824 467 HB2 TRP 60 2HB TRP 60 -14.642 -1.569 -2.130 468 HB3 TRP 60 1HB TRP 60 -15.930 -2.456 -1.318 469 HD1 TRP 60 HD TRP 60 -17.032 -0.651 0.788 470 HE1 TRP 60 1HE TRP 60 -18.048 1.665 0.236 471 HE3 TRP 60 3HE TRP 60 -14.821 0.246 -3.725 472 HZ2 TRP 60 2HZ TRP 60 -17.914 3.642 -1.847 473 HZ3 TRP 60 3HZ TRP 60 -15.263 2.337 -4.964 474 HH2 TRP 60 HH TRP 60 -16.803 4.030 -4.039 475 H ASP 61 H ASP 61 -15.342 -3.098 1.952 476 HA ASP 61 HA ASP 61 -14.374 -5.728 0.877 477 HB2 ASP 61 2HB ASP 61 -14.934 -5.592 3.766 478 HB3 ASP 61 1HB ASP 61 -13.600 -6.360 2.917 479 H ILE 62 H ILE 62 -15.900 -7.424 0.895 480 HA ILE 62 HA ILE 62 -18.604 -6.769 0.563 481 HB ILE 62 HB ILE 62 -18.976 -9.268 1.192 482 HG12 ILE 62 2HG1 ILE 62 -16.418 -8.974 2.203 483 HG13 ILE 62 1HG1 ILE 62 -17.198 -10.510 1.847 484 HG21 ILE 62 1HG2 ILE 62 -17.933 -9.930 -1.004 485 HG22 ILE 62 2HG2 ILE 62 -17.209 -8.322 -1.073 486 HG23 ILE 62 3HG2 ILE 62 -18.962 -8.503 -1.090 487 HD11 ILE 62 1HD1 ILE 62 -15.561 -8.936 -0.161 488 HD12 ILE 62 2HD1 ILE 62 -16.199 -10.571 -0.361 489 HD13 ILE 62 3HD1 ILE 62 -14.922 -10.262 0.809 490 H ASP 63 H ASP 63 -16.906 -7.715 3.515 491 HA ASP 63 HA ASP 63 -19.441 -7.288 5.035 492 HB2 ASP 63 2HB ASP 63 -16.804 -8.546 5.857 493 HB3 ASP 63 1HB ASP 63 -18.180 -8.320 6.935 494 H GLY 64 H GLY 64 -16.662 -5.714 4.058 495 HA2 GLY 64 2HA GLY 64 -16.724 -3.889 6.411 496 HA3 GLY 64 1HA GLY 64 -15.309 -4.111 5.394 497 H THR 65 H THR 65 -17.552 -1.955 6.084 498 HA THR 65 HA THR 65 -18.665 -1.063 3.638 499 HB THR 65 HB THR 65 -17.735 0.844 5.758 500 HG1 THR 65 1HG THR 65 -19.215 0.102 7.145 501 HG21 THR 65 1HG2 THR 65 -19.420 2.154 4.975 502 HG22 THR 65 2HG2 THR 65 -20.517 0.786 4.781 503 HG23 THR 65 3HG2 THR 65 -19.305 1.128 3.546 504 H GLU 66 H GLU 66 -17.544 1.690 3.836 505 HA GLU 66 HA GLU 66 -15.075 1.209 2.227 506 HB2 GLU 66 2HB GLU 66 -17.188 2.605 1.440 507 HB3 GLU 66 1HB GLU 66 -16.445 3.864 2.406 508 HG2 GLU 66 2HG GLU 66 -14.321 3.511 1.159 509 HG3 GLU 66 1HG GLU 66 -15.172 2.379 0.111 510 H ILE 67 H ILE 67 -13.129 1.997 3.013 511 HA ILE 67 HA ILE 67 -13.164 4.095 5.090 512 HB ILE 67 HB ILE 67 -13.370 1.828 6.241 513 HG12 ILE 67 2HG1 ILE 67 -10.800 3.258 6.905 514 HG13 ILE 67 1HG1 ILE 67 -12.374 3.993 7.212 515 HG21 ILE 67 1HG2 ILE 67 -11.468 0.380 6.282 516 HG22 ILE 67 2HG2 ILE 67 -10.465 1.566 5.449 517 HG23 ILE 67 3HG2 ILE 67 -11.762 0.742 4.582 518 HD11 ILE 67 1HD1 ILE 67 -11.066 2.342 8.970 519 HD12 ILE 67 2HD1 ILE 67 -12.140 1.210 8.145 520 HD13 ILE 67 3HD1 ILE 67 -12.808 2.621 8.965 521 H VAL 68 H VAL 68 -10.915 4.862 5.580 522 HA VAL 68 HA VAL 68 -9.263 4.710 3.120 523 HB VAL 68 HB VAL 68 -8.860 6.418 5.597 524 HG11 VAL 68 1HG1 VAL 68 -7.445 7.761 4.122 525 HG12 VAL 68 2HG1 VAL 68 -7.822 6.706 2.761 526 HG13 VAL 68 3HG1 VAL 68 -6.880 6.091 4.120 527 HG21 VAL 68 1HG2 VAL 68 -10.465 7.822 4.860 528 HG22 VAL 68 2HG2 VAL 68 -10.951 6.560 3.728 529 HG23 VAL 68 3HG2 VAL 68 -9.804 7.802 3.225 530 H TRP 69 H TRP 69 -7.576 3.305 3.067 531 HA TRP 69 HA TRP 69 -6.551 2.268 5.681 532 HB2 TRP 69 2HB TRP 69 -6.295 0.199 4.711 533 HB3 TRP 69 1HB TRP 69 -7.600 0.806 3.694 534 HD1 TRP 69 HD TRP 69 -3.843 0.182 3.698 535 HE1 TRP 69 1HE TRP 69 -2.985 0.259 1.273 536 HE3 TRP 69 3HE TRP 69 -8.074 1.732 1.312 537 HZ2 TRP 69 2HZ TRP 69 -3.959 0.869 -1.330 538 HZ3 TRP 69 3HZ TRP 69 -8.070 2.046 -1.147 539 HH2 TRP 69 HH TRP 69 -6.034 1.613 -2.455 540 H GLY 70 H GLY 70 -5.703 4.504 3.410 541 HA2 GLY 70 2HA GLY 70 -2.880 4.339 4.194 542 HA3 GLY 70 1HA GLY 70 -3.171 4.059 2.479 543 H ARG 71 H ARG 71 -1.648 6.150 2.835 544 HA ARG 71 HA ARG 71 -3.351 8.414 2.091 545 HB2 ARG 71 2HB ARG 71 -3.338 8.727 4.479 546 HB3 ARG 71 1HB ARG 71 -1.605 8.494 4.559 547 HG2 ARG 71 2HG ARG 71 -1.172 10.569 3.457 548 HG3 ARG 71 1HG ARG 71 -2.865 10.743 2.986 549 HD2 ARG 71 2HD ARG 71 -3.488 10.923 5.378 550 HD3 ARG 71 1HD ARG 71 -1.786 10.785 5.819 551 HE ARG 71 HE ARG 71 -2.249 12.949 3.939 552 HH11 ARG 71 1HH1 ARG 71 -2.014 15.041 4.762 553 HH12 ARG 71 2HH1 ARG 71 -2.005 15.288 6.476 554 HH21 ARG 71 1HH2 ARG 71 -2.408 11.927 7.229 555 HH22 ARG 71 2HH2 ARG 71 -2.229 13.525 7.872 556 H ILE 72 H ILE 72 -1.715 10.368 1.671 557 HA ILE 72 HA ILE 72 0.782 9.283 0.474 558 HB ILE 72 HB ILE 72 -1.301 11.042 -0.837 559 HG12 ILE 72 2HG1 ILE 72 -0.833 9.282 -2.684 560 HG13 ILE 72 1HG1 ILE 72 -0.049 8.352 -1.409 561 HG21 ILE 72 1HG2 ILE 72 0.780 12.131 -1.321 562 HG22 ILE 72 2HG2 ILE 72 0.370 11.167 -2.738 563 HG23 ILE 72 3HG2 ILE 72 1.588 10.588 -1.604 564 HD11 ILE 72 1HD1 ILE 72 -2.069 7.584 -0.790 565 HD12 ILE 72 2HD1 ILE 72 -2.863 8.628 -1.968 566 HD13 ILE 72 3HD1 ILE 72 -2.527 9.224 -0.349 567 H LEU 73 H LEU 73 2.344 11.185 -0.039 568 HA LEU 73 HA LEU 73 2.020 13.295 2.060 569 HB2 LEU 73 2HB LEU 73 4.123 11.448 1.663 570 HB3 LEU 73 1HB LEU 73 4.743 13.011 1.139 571 HG LEU 73 HG LEU 73 3.763 13.929 3.343 572 HD11 LEU 73 1HD1 LEU 73 3.292 12.375 5.078 573 HD12 LEU 73 2HD1 LEU 73 3.988 11.033 4.169 574 HD13 LEU 73 3HD1 LEU 73 2.450 11.732 3.667 575 HD21 LEU 73 1HD2 LEU 73 5.756 12.829 4.635 576 HD22 LEU 73 2HD2 LEU 73 6.108 13.844 3.237 577 HD23 LEU 73 3HD2 LEU 73 6.131 12.088 3.079 578 H GLU 74 H GLU 74 3.475 12.641 -1.116 579 HA GLU 74 HA GLU 74 2.467 15.012 -2.349 580 HB2 GLU 74 2HB GLU 74 4.145 16.063 -0.786 581 HB3 GLU 74 1HB GLU 74 5.409 15.143 -1.606 582 HG2 GLU 74 2HG GLU 74 4.748 16.211 -3.757 583 HG3 GLU 74 1HG GLU 74 3.564 17.184 -2.883 584 H TRP 75 H TRP 75 3.190 15.113 -4.604 585 HA TRP 75 HA TRP 75 4.523 12.584 -5.467 586 HB2 TRP 75 2HB TRP 75 3.253 12.740 -7.518 587 HB3 TRP 75 1HB TRP 75 2.132 12.934 -6.167 588 HD1 TRP 75 HD TRP 75 1.601 15.586 -5.486 589 HE1 TRP 75 1HE TRP 75 1.228 17.588 -7.067 590 HE3 TRP 75 3HE TRP 75 3.767 13.767 -9.739 591 HZ2 TRP 75 2HZ TRP 75 1.775 18.320 -9.778 592 HZ3 TRP 75 3HZ TRP 75 3.824 15.136 -11.804 593 HH2 TRP 75 HH TRP 75 2.833 17.408 -11.828 594 H ASP 76 H ASP 76 6.432 12.764 -6.561 595 HA ASP 76 HA ASP 76 7.345 15.496 -7.274 596 HB2 ASP 76 2HB ASP 76 8.673 13.626 -5.889 597 HB3 ASP 76 1HB ASP 76 9.167 13.161 -7.518 598 HA PRO 77 HA PRO 77 6.045 14.668 -11.509 599 HB2 PRO 77 2HB PRO 77 8.373 16.458 -12.065 600 HB3 PRO 77 1HB PRO 77 6.736 16.493 -12.734 601 HG2 PRO 77 2HG PRO 77 7.526 18.172 -10.803 602 HG3 PRO 77 1HG PRO 77 5.867 17.566 -10.922 603 HD2 PRO 77 2HD PRO 77 7.951 16.909 -8.933 604 HD3 PRO 77 1HD PRO 77 6.187 16.725 -8.817 605 HA PRO 78 HA PRO 78 10.499 13.198 -13.154 606 HB2 PRO 78 2HB PRO 78 11.805 12.210 -10.798 607 HB3 PRO 78 1HB PRO 78 12.351 13.503 -11.876 608 HG2 PRO 78 2HG PRO 78 10.929 13.677 -9.297 609 HG3 PRO 78 1HG PRO 78 12.035 14.827 -10.064 610 HD2 PRO 78 2HD PRO 78 9.399 15.318 -9.948 611 HD3 PRO 78 1HD PRO 78 10.359 15.782 -11.370 612 H HIS 79 H HIS 79 10.337 11.359 -10.137 613 HA HIS 79 HA HIS 79 8.330 9.494 -10.960 614 HB2 HIS 79 2HB HIS 79 9.938 7.595 -11.362 615 HB3 HIS 79 1HB HIS 79 10.016 8.842 -12.608 616 HD1 HIS 79 1HD HIS 79 11.599 8.868 -9.144 617 HD2 HIS 79 2HD HIS 79 12.744 9.010 -13.153 618 HE1 HIS 79 1HE HIS 79 14.102 9.247 -9.158 619 HE2 HIS 79 2HE HIS 79 14.811 9.337 -11.595 620 H ARG 80 H ARG 80 9.199 11.093 -8.683 621 HA ARG 80 HA ARG 80 9.670 8.890 -6.719 622 HB2 ARG 80 2HB ARG 80 11.758 10.176 -7.030 623 HB3 ARG 80 1HB ARG 80 10.890 11.665 -6.648 624 HG2 ARG 80 2HG ARG 80 10.383 10.820 -4.406 625 HG3 ARG 80 1HG ARG 80 11.182 9.292 -4.785 626 HD2 ARG 80 2HD ARG 80 12.788 10.599 -3.594 627 HD3 ARG 80 1HD ARG 80 13.274 10.649 -5.286 628 HE ARG 80 HE ARG 80 11.568 12.874 -4.782 629 HH11 ARG 80 1HH1 ARG 80 12.507 14.907 -4.476 630 HH12 ARG 80 2HH1 ARG 80 14.175 15.017 -4.022 631 HH21 ARG 80 1HH2 ARG 80 14.664 11.584 -3.980 632 HH22 ARG 80 2HH2 ARG 80 15.396 13.136 -3.743 633 H LEU 81 H LEU 81 8.583 9.122 -4.737 634 HA LEU 81 HA LEU 81 7.074 11.544 -4.136 635 HB2 LEU 81 2HB LEU 81 4.854 10.411 -4.236 636 HB3 LEU 81 1HB LEU 81 5.602 10.598 -5.822 637 HG LEU 81 HG LEU 81 6.614 8.176 -4.941 638 HD11 LEU 81 1HD1 LEU 81 4.846 6.923 -3.994 639 HD12 LEU 81 2HD1 LEU 81 3.660 8.181 -4.352 640 HD13 LEU 81 3HD1 LEU 81 4.864 8.437 -3.089 641 HD21 LEU 81 1HD2 LEU 81 4.254 8.890 -6.695 642 HD22 LEU 81 2HD2 LEU 81 4.888 7.250 -6.570 643 HD23 LEU 81 3HD2 LEU 81 5.909 8.542 -7.200 644 H ALA 82 H ALA 82 6.387 11.572 -1.997 645 HA ALA 82 HA ALA 82 7.179 9.200 -0.358 646 HB1 ALA 82 1HB ALA 82 6.725 12.092 0.465 647 HB2 ALA 82 2HB ALA 82 8.299 11.326 0.251 648 HB3 ALA 82 3HB ALA 82 7.227 10.789 1.544 649 H MET 83 H MET 83 5.575 8.447 1.248 650 HA MET 83 HA MET 83 2.900 9.677 0.972 651 HB2 MET 83 2HB MET 83 2.142 7.095 0.817 652 HB3 MET 83 1HB MET 83 2.409 8.106 -0.603 653 HG2 MET 83 2HG MET 83 4.739 7.298 -0.747 654 HG3 MET 83 1HG MET 83 4.473 6.285 0.674 655 HE1 MET 83 1HE MET 83 2.644 4.861 0.977 656 HE2 MET 83 2HE MET 83 2.200 3.607 -0.178 657 HE3 MET 83 3HE MET 83 1.254 5.091 -0.092 658 H THR 84 H THR 84 1.499 9.327 2.712 659 HA THR 84 HA THR 84 2.736 7.923 5.050 660 HB THR 84 HB THR 84 0.889 10.304 4.848 661 HG1 THR 84 1HG THR 84 3.087 9.755 6.543 662 HG21 THR 84 1HG2 THR 84 -0.316 8.921 6.375 663 HG22 THR 84 2HG2 THR 84 0.627 10.022 7.376 664 HG23 THR 84 3HG2 THR 84 1.167 8.359 7.146 665 H TRP 85 H TRP 85 1.106 6.701 6.395 666 HA TRP 85 HA TRP 85 -1.072 5.641 4.633 667 HB2 TRP 85 2HB TRP 85 0.766 4.373 6.619 668 HB3 TRP 85 1HB TRP 85 -0.862 3.712 6.468 669 HD1 TRP 85 HD TRP 85 0.794 5.194 3.391 670 HE1 TRP 85 1HE TRP 85 1.331 3.300 1.730 671 HE3 TRP 85 3HE TRP 85 -0.246 1.138 6.314 672 HZ2 TRP 85 2HZ TRP 85 1.322 0.441 1.650 673 HZ3 TRP 85 3HZ TRP 85 0.026 -1.157 5.421 674 HH2 TRP 85 HH TRP 85 0.808 -1.511 3.096 675 H ARG 86 H ARG 86 -3.155 6.046 5.315 676 HA ARG 86 HA ARG 86 -3.500 6.812 8.196 677 HB2 ARG 86 2HB ARG 86 -3.995 8.650 6.630 678 HB3 ARG 86 1HB ARG 86 -5.177 7.632 5.807 679 HG2 ARG 86 2HG ARG 86 -6.450 7.436 7.931 680 HG3 ARG 86 1HG ARG 86 -5.282 8.505 8.711 681 HD2 ARG 86 2HD ARG 86 -7.000 9.225 6.316 682 HD3 ARG 86 1HD ARG 86 -7.280 9.759 7.973 683 HE ARG 86 HE ARG 86 -4.620 10.424 6.942 684 HH11 ARG 86 1HH1 ARG 86 -4.210 12.636 6.734 685 HH12 ARG 86 2HH1 ARG 86 -5.525 13.759 6.820 686 HH21 ARG 86 1HH2 ARG 86 -7.933 11.310 7.300 687 HH22 ARG 86 2HH2 ARG 86 -7.633 13.008 7.141 688 H ILE 87 H ILE 87 -4.131 4.922 9.149 689 HA ILE 87 HA ILE 87 -6.627 3.672 8.099 690 HB ILE 87 HB ILE 87 -4.600 2.272 7.537 691 HG12 ILE 87 2HG1 ILE 87 -6.268 0.871 9.624 692 HG13 ILE 87 1HG1 ILE 87 -6.999 1.421 8.116 693 HG21 ILE 87 1HG2 ILE 87 -3.367 1.214 9.314 694 HG22 ILE 87 2HG2 ILE 87 -4.464 1.860 10.535 695 HG23 ILE 87 3HG2 ILE 87 -3.381 2.944 9.660 696 HD11 ILE 87 1HD1 ILE 87 -5.449 0.100 6.808 697 HD12 ILE 87 2HD1 ILE 87 -6.171 -0.952 8.024 698 HD13 ILE 87 3HD1 ILE 87 -4.534 -0.335 8.248 699 H ASP 88 H ASP 88 -8.021 2.893 9.775 700 HA ASP 88 HA ASP 88 -7.544 4.167 12.379 701 HB2 ASP 88 2HB ASP 88 -9.854 2.449 11.475 702 HB3 ASP 88 1HB ASP 88 -9.803 3.438 12.929 703 H GLY 89 H GLY 89 -7.619 2.967 14.382 704 HA2 GLY 89 2HA GLY 89 -5.988 0.608 14.372 705 HA3 GLY 89 1HA GLY 89 -6.854 1.237 15.776 706 H HIS 90 H HIS 90 -9.489 1.094 14.729 707 HA HIS 90 HA HIS 90 -9.843 -1.873 14.619 708 HB2 HIS 90 2HB HIS 90 -11.094 0.209 16.189 709 HB3 HIS 90 1HB HIS 90 -12.310 -0.629 15.232 710 HD1 HIS 90 1HD HIS 90 -11.015 -0.879 18.442 711 HD2 HIS 90 2HD HIS 90 -11.451 -3.682 15.385 712 HE1 HIS 90 1HE HIS 90 -10.974 -3.160 19.551 713 HE2 HIS 90 2HE HIS 90 -11.238 -4.873 17.699 714 H TRP 91 H TRP 91 -9.332 -0.130 12.289 715 HA TRP 91 HA TRP 91 -10.193 0.211 10.130 716 HB2 TRP 91 2HB TRP 91 -12.040 -2.022 11.047 717 HB3 TRP 91 1HB TRP 91 -11.959 -1.417 9.399 718 HD1 TRP 91 HD TRP 91 -9.748 -1.894 8.008 719 HE1 TRP 91 1HE TRP 91 -7.938 -3.699 8.261 720 HE3 TRP 91 3HE TRP 91 -10.669 -3.418 12.781 721 HZ2 TRP 91 2HZ TRP 91 -7.002 -5.574 10.256 722 HZ3 TRP 91 3HZ TRP 91 -9.329 -5.205 13.828 723 HH2 TRP 91 HH TRP 91 -7.492 -6.282 12.570 724 H GLN 92 H GLN 92 -11.304 1.621 12.549 725 HA GLN 92 HA GLN 92 -13.196 3.286 11.343 726 HB2 GLN 92 2HB GLN 92 -15.256 2.448 12.718 727 HB3 GLN 92 1HB GLN 92 -14.886 1.689 11.169 728 HG2 GLN 92 2HG GLN 92 -14.069 -0.233 12.147 729 HG3 GLN 92 1HG GLN 92 -13.630 0.578 13.655 730 HE21 GLN 92 1HE2 GLN 92 -15.093 -1.774 13.892 731 HE22 GLN 92 2HE2 GLN 92 -16.694 -1.434 14.338 732 H SER 93 H SER 93 -11.144 2.607 13.664 733 HA SER 93 HA SER 93 -12.258 3.421 16.126 734 HB2 SER 93 2HB SER 93 -9.906 2.529 15.664 735 HB3 SER 93 1HB SER 93 -9.480 4.177 15.202 736 HG SER 93 HG SER 93 -9.842 4.851 17.240 737 H VAL 94 H VAL 94 -10.448 5.534 13.842 738 HA VAL 94 HA VAL 94 -12.302 7.735 14.549 739 HB VAL 94 HB VAL 94 -10.168 9.217 14.803 740 HG11 VAL 94 1HG1 VAL 94 -10.162 8.825 17.200 741 HG12 VAL 94 2HG1 VAL 94 -10.835 7.211 16.976 742 HG13 VAL 94 3HG1 VAL 94 -11.811 8.633 16.607 743 HG21 VAL 94 1HG2 VAL 94 -9.070 6.468 15.474 744 HG22 VAL 94 2HG2 VAL 94 -8.234 8.001 15.720 745 HG23 VAL 94 3HG2 VAL 94 -8.592 7.445 14.085 746 HA PRO 95 HA PRO 95 -11.818 8.704 10.260 747 HB2 PRO 95 2HB PRO 95 -12.044 11.459 10.334 748 HB3 PRO 95 1HB PRO 95 -13.417 10.340 10.406 749 HG2 PRO 95 2HG PRO 95 -12.057 11.810 12.598 750 HG3 PRO 95 1HG PRO 95 -13.773 11.425 12.387 751 HD2 PRO 95 2HD PRO 95 -12.164 10.050 14.105 752 HD3 PRO 95 1HD PRO 95 -13.547 9.300 13.278 753 H ASP 96 H ASP 96 -9.896 10.641 12.525 754 HA ASP 96 HA ASP 96 -7.792 10.919 10.421 755 HB2 ASP 96 2HB ASP 96 -8.292 12.517 12.940 756 HB3 ASP 96 1HB ASP 96 -6.899 12.744 11.883 757 H ASP 97 H ASP 97 -5.646 10.280 10.952 758 HA ASP 97 HA ASP 97 -5.483 8.483 13.319 759 HB2 ASP 97 2HB ASP 97 -3.897 8.613 10.748 760 HB3 ASP 97 1HB ASP 97 -3.486 7.559 12.101 761 H ASP 98 H ASP 98 -4.436 9.316 15.035 762 HA ASP 98 HA ASP 98 -2.553 11.557 14.682 763 HB2 ASP 98 2HB ASP 98 -3.662 10.168 17.127 764 HB3 ASP 98 1HB ASP 98 -2.539 11.524 17.190 765 H ARG 99 H ARG 99 -2.503 8.213 14.752 766 HA ARG 99 HA ARG 99 0.320 8.125 15.691 767 HB2 ARG 99 2HB ARG 99 -0.265 5.595 15.865 768 HB3 ARG 99 1HB ARG 99 -0.898 6.685 17.101 769 HG2 ARG 99 2HG ARG 99 -3.029 6.852 15.846 770 HG3 ARG 99 1HG ARG 99 -2.395 5.736 14.634 771 HD2 ARG 99 2HD ARG 99 -2.105 4.022 16.421 772 HD3 ARG 99 1HD ARG 99 -2.848 5.134 17.571 773 HE ARG 99 HE ARG 99 -4.460 4.563 15.179 774 HH11 ARG 99 1HH1 ARG 99 -6.433 3.547 15.610 775 HH12 ARG 99 2HH1 ARG 99 -6.723 2.879 17.181 776 HH21 ARG 99 1HH2 ARG 99 -3.630 3.809 18.441 777 HH22 ARG 99 2HH2 ARG 99 -5.137 3.027 18.783 778 H ALA 100 H ALA 100 -0.483 8.898 12.996 779 HA ALA 100 HA ALA 100 0.023 6.525 11.329 780 HB1 ALA 100 1HB ALA 100 -1.490 8.691 10.866 781 HB2 ALA 100 2HB ALA 100 -0.729 7.787 9.558 782 HB3 ALA 100 3HB ALA 100 0.020 9.267 10.159 783 H SER 101 H SER 101 1.917 6.139 10.199 784 HA SER 101 HA SER 101 4.268 7.785 11.002 785 HB2 SER 101 2HB SER 101 5.616 5.861 10.520 786 HB3 SER 101 1HB SER 101 4.226 5.275 11.428 787 HG SER 101 HG SER 101 3.259 4.847 9.331 788 H GLU 102 H GLU 102 6.014 7.876 9.193 789 HA GLU 102 HA GLU 102 4.627 8.598 6.650 790 HB2 GLU 102 2HB GLU 102 7.299 9.527 7.736 791 HB3 GLU 102 1HB GLU 102 6.562 10.069 6.228 792 HG2 GLU 102 2HG GLU 102 4.608 10.912 7.518 793 HG3 GLU 102 1HG GLU 102 5.416 10.438 9.012 794 H ILE 103 H ILE 103 5.339 7.733 4.715 795 HA ILE 103 HA ILE 103 7.525 5.694 4.893 796 HB ILE 103 HB ILE 103 5.095 5.635 3.080 797 HG12 ILE 103 2HG1 ILE 103 5.676 3.963 5.543 798 HG13 ILE 103 1HG1 ILE 103 4.574 5.342 5.524 799 HG21 ILE 103 1HG2 ILE 103 6.538 3.151 3.628 800 HG22 ILE 103 2HG2 ILE 103 7.556 4.363 2.850 801 HG23 ILE 103 3HG2 ILE 103 6.055 3.848 2.081 802 HD11 ILE 103 1HD1 ILE 103 3.442 4.115 3.524 803 HD12 ILE 103 2HD1 ILE 103 3.136 3.517 5.155 804 HD13 ILE 103 3HD1 ILE 103 4.300 2.693 4.117 805 H GLU 104 H GLU 104 9.064 5.747 3.249 806 HA GLU 104 HA GLU 104 8.792 8.004 1.298 807 HB2 GLU 104 2HB GLU 104 11.292 6.658 2.372 808 HB3 GLU 104 1HB GLU 104 11.265 7.985 1.208 809 HG2 GLU 104 2HG GLU 104 10.077 9.393 2.880 810 HG3 GLU 104 1HG GLU 104 10.203 8.076 4.047 811 H VAL 105 H VAL 105 8.515 7.387 -0.786 812 HA VAL 105 HA VAL 105 9.626 4.758 -1.638 813 HB VAL 105 HB VAL 105 6.933 5.860 -2.476 814 HG11 VAL 105 1HG1 VAL 105 6.636 3.761 -3.588 815 HG12 VAL 105 2HG1 VAL 105 8.071 3.078 -2.825 816 HG13 VAL 105 3HG1 VAL 105 8.238 4.334 -4.051 817 HG21 VAL 105 1HG2 VAL 105 7.786 4.050 -0.255 818 HG22 VAL 105 2HG2 VAL 105 6.307 3.639 -1.122 819 HG23 VAL 105 3HG2 VAL 105 6.449 5.199 -0.313 820 H ASP 106 H ASP 106 10.603 4.788 -3.663 821 HA ASP 106 HA ASP 106 10.278 7.274 -5.277 822 HB2 ASP 106 2HB ASP 106 12.400 7.357 -3.945 823 HB3 ASP 106 1HB ASP 106 12.925 5.892 -4.778 824 H PHE 107 H PHE 107 10.081 6.906 -7.462 825 HA PHE 107 HA PHE 107 10.416 4.074 -8.355 826 HB2 PHE 107 2HB PHE 107 8.549 6.248 -9.347 827 HB3 PHE 107 1HB PHE 107 8.688 4.637 -10.045 828 HD1 PHE 107 1HD PHE 107 7.391 2.870 -9.197 829 HD2 PHE 107 2HD PHE 107 8.051 6.367 -6.792 830 HE1 PHE 107 1HE PHE 107 5.822 1.991 -7.487 831 HE2 PHE 107 2HE PHE 107 6.483 5.489 -5.083 832 HZ PHE 107 HZ PHE 107 5.369 3.299 -5.432 833 H VAL 108 H VAL 108 11.653 3.709 -10.177 834 HA VAL 108 HA VAL 108 12.804 6.109 -11.535 835 HB VAL 108 HB VAL 108 14.406 3.614 -11.439 836 HG11 VAL 108 1HG1 VAL 108 16.228 5.264 -11.192 837 HG12 VAL 108 2HG1 VAL 108 15.036 6.556 -11.054 838 HG13 VAL 108 3HG1 VAL 108 15.195 5.661 -12.565 839 HG21 VAL 108 1HG2 VAL 108 15.278 4.226 -9.176 840 HG22 VAL 108 2HG2 VAL 108 13.595 3.702 -9.137 841 HG23 VAL 108 3HG2 VAL 108 13.986 5.419 -9.036 842 HA PRO 109 HA PRO 109 11.018 3.787 -14.978 843 HB2 PRO 109 2HB PRO 109 11.552 5.559 -16.964 844 HB3 PRO 109 1HB PRO 109 10.267 5.831 -15.769 845 HG2 PRO 109 2HG PRO 109 13.001 6.985 -15.900 846 HG3 PRO 109 1HG PRO 109 11.472 7.752 -15.446 847 HD2 PRO 109 2HD PRO 109 13.343 6.867 -13.620 848 HD3 PRO 109 1HD PRO 109 11.608 7.032 -13.261 849 H ASN 110 H ASN 110 12.095 2.084 -15.790 850 HA ASN 110 HA ASN 110 14.785 2.508 -16.983 851 HB2 ASN 110 2HB ASN 110 14.669 1.096 -14.859 852 HB3 ASN 110 1HB ASN 110 13.784 -0.087 -15.823 853 HD21 ASN 110 1HD2 ASN 110 15.830 -1.438 -15.259 854 HD22 ASN 110 2HD2 ASN 110 17.156 -1.297 -16.310 855 H GLY 111 H GLY 111 14.894 2.061 -19.134 856 HA2 GLY 111 2HA GLY 111 14.227 1.312 -21.256 857 HA3 GLY 111 1HA GLY 111 13.693 -0.147 -20.422 858 H SER 112 H SER 112 12.128 0.448 -22.457 859 HA SER 112 HA SER 112 10.054 2.373 -21.973 860 HB2 SER 112 2HB SER 112 8.869 1.277 -23.776 861 HB3 SER 112 1HB SER 112 10.579 1.310 -24.195 862 HG SER 112 HG SER 112 10.705 -0.839 -23.357 863 H GLY 113 H GLY 113 10.606 -0.868 -20.797 864 HA2 GLY 113 2HA GLY 113 8.054 -0.655 -19.267 865 HA3 GLY 113 1HA GLY 113 8.422 -2.149 -20.134 866 H GLY 114 H GLY 114 10.489 -0.002 -18.136 867 HA2 GLY 114 2HA GLY 114 10.888 -2.284 -16.271 868 HA3 GLY 114 1HA GLY 114 12.294 -1.457 -16.938 869 H THR 115 H THR 115 10.811 -1.626 -14.141 870 HA THR 115 HA THR 115 11.292 1.247 -13.567 871 HB THR 115 HB THR 115 8.722 -0.233 -13.154 872 HG1 THR 115 1HG THR 115 9.532 2.375 -13.890 873 HG21 THR 115 1HG2 THR 115 9.145 0.293 -10.896 874 HG22 THR 115 2HG2 THR 115 8.191 1.659 -11.471 875 HG23 THR 115 3HG2 THR 115 9.940 1.812 -11.307 876 H ARG 116 H ARG 116 12.213 1.606 -11.586 877 HA ARG 116 HA ARG 116 12.667 -0.801 -9.865 878 HB2 ARG 116 2HB ARG 116 14.735 0.186 -10.829 879 HB3 ARG 116 1HB ARG 116 14.318 1.742 -10.107 880 HG2 ARG 116 2HG ARG 116 14.362 0.680 -7.857 881 HG3 ARG 116 1HG ARG 116 14.869 -0.833 -8.605 882 HD2 ARG 116 2HD ARG 116 16.380 1.789 -8.771 883 HD3 ARG 116 1HD ARG 116 16.808 0.432 -7.730 884 HE ARG 116 HE ARG 116 17.205 0.569 -10.639 885 HH11 ARG 116 1HH1 ARG 116 18.360 -1.170 -11.505 886 HH12 ARG 116 2HH1 ARG 116 18.634 -2.579 -10.536 887 HH21 ARG 116 1HH2 ARG 116 16.953 -1.330 -7.772 888 HH22 ARG 116 2HH2 ARG 116 17.838 -2.670 -8.422 889 H VAL 117 H VAL 117 11.759 -0.697 -7.838 890 HA VAL 117 HA VAL 117 10.874 1.997 -6.872 891 HB VAL 117 HB VAL 117 9.449 -0.643 -6.474 892 HG11 VAL 117 1HG1 VAL 117 9.149 0.983 -4.637 893 HG12 VAL 117 2HG1 VAL 117 7.657 0.783 -5.559 894 HG13 VAL 117 3HG1 VAL 117 8.662 2.211 -5.809 895 HG21 VAL 117 1HG2 VAL 117 9.220 1.537 -8.503 896 HG22 VAL 117 2HG2 VAL 117 7.726 0.818 -7.903 897 HG23 VAL 117 3HG2 VAL 117 8.940 -0.195 -8.680 898 H GLU 118 H GLU 118 11.369 2.505 -4.803 899 HA GLU 118 HA GLU 118 12.545 0.351 -3.085 900 HB2 GLU 118 2HB GLU 118 13.276 3.301 -3.167 901 HB3 GLU 118 1HB GLU 118 13.972 2.102 -2.076 902 HG2 GLU 118 2HG GLU 118 14.797 0.827 -4.042 903 HG3 GLU 118 1HG GLU 118 14.160 2.082 -5.103 904 H LEU 119 H LEU 119 10.871 -0.090 -1.678 905 HA LEU 119 HA LEU 119 9.354 2.231 -0.580 906 HB2 LEU 119 2HB LEU 119 8.111 0.385 -1.795 907 HB3 LEU 119 1HB LEU 119 8.582 -0.690 -0.483 908 HG LEU 119 HG LEU 119 7.339 1.874 0.353 909 HD11 LEU 119 1HD1 LEU 119 5.836 -0.297 -1.129 910 HD12 LEU 119 2HD1 LEU 119 5.893 1.422 -1.515 911 HD13 LEU 119 3HD1 LEU 119 5.048 0.871 -0.068 912 HD21 LEU 119 1HD2 LEU 119 6.480 -0.883 1.169 913 HD22 LEU 119 2HD2 LEU 119 6.592 0.584 2.142 914 HD23 LEU 119 3HD2 LEU 119 8.053 -0.295 1.703 915 H ALA 120 H ALA 120 9.699 2.763 1.514 916 HA ALA 120 HA ALA 120 10.711 0.642 3.360 917 HB1 ALA 120 1HB ALA 120 12.555 1.836 3.935 918 HB2 ALA 120 2HB ALA 120 11.677 3.366 3.920 919 HB3 ALA 120 3HB ALA 120 12.293 2.688 2.413 920 H HIS 121 H HIS 121 9.273 0.456 5.024 921 HA HIS 121 HA HIS 121 7.655 2.862 5.751 922 HB2 HIS 121 2HB HIS 121 5.915 1.462 6.392 923 HB3 HIS 121 1HB HIS 121 6.606 0.538 5.063 924 HD1 HIS 121 1HD HIS 121 6.684 0.693 8.868 925 HD2 HIS 121 2HD HIS 121 7.582 -1.967 5.783 926 HE1 HIS 121 1HE HIS 121 7.148 -1.553 9.965 927 HE2 HIS 121 2HE HIS 121 7.720 -3.166 8.094 928 H VAL 122 H VAL 122 8.055 3.791 7.714 929 HA VAL 122 HA VAL 122 9.618 2.183 9.692 930 HB VAL 122 HB VAL 122 10.946 4.187 10.191 931 HG11 VAL 122 1HG1 VAL 122 12.388 3.629 8.541 932 HG12 VAL 122 2HG1 VAL 122 11.295 4.225 7.292 933 HG13 VAL 122 3HG1 VAL 122 11.113 2.585 7.913 934 HG21 VAL 122 1HG2 VAL 122 10.141 6.215 9.615 935 HG22 VAL 122 2HG2 VAL 122 8.819 5.454 8.727 936 HG23 VAL 122 3HG2 VAL 122 10.346 5.798 7.914 937 H LYS 123 H LYS 123 9.405 2.801 11.869 938 HA LYS 123 HA LYS 123 8.229 3.439 13.776 939 HB2 LYS 123 2HB LYS 123 7.248 5.767 12.122 940 HB3 LYS 123 1HB LYS 123 7.499 5.705 13.867 941 HG2 LYS 123 2HG LYS 123 9.658 5.532 11.743 942 HG3 LYS 123 1HG LYS 123 9.356 6.903 12.810 943 HD2 LYS 123 2HD LYS 123 9.744 5.299 14.760 944 HD3 LYS 123 1HD LYS 123 10.351 4.149 13.566 945 HE2 LYS 123 2HE LYS 123 12.354 5.160 13.763 946 HE3 LYS 123 1HE LYS 123 11.642 6.540 12.925 947 HZ1 LYS 123 1HZ LYS 123 12.679 7.061 15.115 948 HZ2 LYS 123 2HZ LYS 123 11.463 6.136 15.859 949 HZ3 LYS 123 3HZ LYS 123 11.056 7.531 14.980 950 H LEU 124 H LEU 124 6.810 1.702 11.801 951 HA LEU 124 HA LEU 124 4.054 2.603 11.780 952 HB2 LEU 124 2HB LEU 124 5.467 0.048 11.117 953 HB3 LEU 124 1HB LEU 124 3.736 -0.025 11.441 954 HG LEU 124 HG LEU 124 5.044 1.799 9.396 955 HD11 LEU 124 1HD1 LEU 124 4.673 0.198 7.812 956 HD12 LEU 124 2HD1 LEU 124 3.166 -0.326 8.561 957 HD13 LEU 124 3HD1 LEU 124 4.708 -0.911 9.183 958 HD21 LEU 124 1HD2 LEU 124 2.310 1.522 10.515 959 HD22 LEU 124 2HD2 LEU 124 2.396 1.617 8.757 960 HD23 LEU 124 3HD2 LEU 124 3.070 2.913 9.743 961 H HIS 125 H HIS 125 5.958 0.358 13.760 962 HA HIS 125 HA HIS 125 4.041 -0.690 15.457 963 HB2 HIS 125 2HB HIS 125 6.334 -1.327 15.755 964 HB3 HIS 125 1HB HIS 125 6.797 0.330 16.137 965 HD1 HIS 125 1HD HIS 125 3.989 -1.873 17.504 966 HD2 HIS 125 2HD HIS 125 7.225 0.381 18.865 967 HE1 HIS 125 1HE HIS 125 3.922 -1.977 20.036 968 HE2 HIS 125 2HE HIS 125 5.886 -0.608 20.874 969 H ARG 126 H ARG 126 4.731 2.601 15.026 970 HA ARG 126 HA ARG 126 4.306 3.780 17.507 971 HB2 ARG 126 2HB ARG 126 4.655 5.034 15.381 972 HB3 ARG 126 1HB ARG 126 2.993 4.659 14.931 973 HG2 ARG 126 2HG ARG 126 2.195 5.797 16.988 974 HG3 ARG 126 1HG ARG 126 3.862 6.221 17.378 975 HD2 ARG 126 2HD ARG 126 4.019 7.432 15.199 976 HD3 ARG 126 1HD ARG 126 2.311 7.090 14.922 977 HE ARG 126 HE ARG 126 2.280 8.315 17.379 978 HH11 ARG 126 1HH1 ARG 126 2.173 10.553 17.670 979 HH12 ARG 126 2HH1 ARG 126 2.771 11.605 16.430 980 HH21 ARG 126 1HH2 ARG 126 3.724 9.018 14.327 981 HH22 ARG 126 2HH2 ARG 126 3.649 10.735 14.538 982 H HIS 127 H HIS 127 1.922 2.156 15.441 983 HA HIS 127 HA HIS 127 -0.270 2.946 17.225 984 HB2 HIS 127 2HB HIS 127 -1.601 1.345 15.755 985 HB3 HIS 127 1HB HIS 127 -0.912 2.744 14.943 986 HD1 HIS 127 1HD HIS 127 1.901 0.706 15.533 987 HD2 HIS 127 2HD HIS 127 -1.263 0.471 12.829 988 HE1 HIS 127 1HE HIS 127 2.690 -0.766 13.627 989 HE2 HIS 127 2HE HIS 127 0.768 -0.926 11.981 990 H GLY 128 H GLY 128 1.750 0.109 16.693 991 HA2 GLY 128 2HA GLY 128 1.659 -2.030 17.738 992 HA3 GLY 128 1HA GLY 128 1.730 -1.005 19.173 993 H ASP 129 H ASP 129 0.410 -2.481 20.375 994 HA ASP 129 HA ASP 129 -1.604 -3.527 21.037 995 HB2 ASP 129 2HB ASP 129 -1.904 -1.112 21.619 996 HB3 ASP 129 1HB ASP 129 -2.699 -0.874 20.061 997 H GLY 130 H GLY 130 -1.331 -4.966 19.008 998 HA2 GLY 130 2HA GLY 130 -2.561 -6.176 17.391 999 HA3 GLY 130 1HA GLY 130 -3.901 -5.047 17.632 1000 H ALA 131 H ALA 131 -0.675 -3.933 16.913 1001 HA ALA 131 HA ALA 131 -1.483 -2.272 14.758 1002 HB1 ALA 131 1HB ALA 131 0.568 -1.606 15.518 1003 HB2 ALA 131 2HB ALA 131 1.144 -2.677 14.236 1004 HB3 ALA 131 3HB ALA 131 1.073 -3.250 15.900 1005 H TRP 132 H TRP 132 0.379 -5.344 14.576 1006 HA TRP 132 HA TRP 132 0.246 -5.552 11.747 1007 HB2 TRP 132 2HB TRP 132 1.746 -6.936 13.175 1008 HB3 TRP 132 1HB TRP 132 0.335 -7.836 13.743 1009 HD1 TRP 132 HD TRP 132 -0.959 -9.349 11.964 1010 HE1 TRP 132 1HE TRP 132 -0.181 -10.428 9.759 1011 HE3 TRP 132 3HE TRP 132 3.328 -6.667 11.111 1012 HZ2 TRP 132 2HZ TRP 132 1.956 -10.194 7.890 1013 HZ3 TRP 132 3HZ TRP 132 4.705 -7.129 9.108 1014 HH2 TRP 132 HH TRP 132 4.028 -8.887 7.498 1015 H ASN 133 H ASN 133 -2.075 -6.399 14.249 1016 HA ASN 133 HA ASN 133 -3.818 -8.057 12.755 1017 HB2 ASN 133 2HB ASN 133 -3.979 -7.317 15.232 1018 HB3 ASN 133 1HB ASN 133 -4.806 -5.889 14.614 1019 HD21 ASN 133 1HD2 ASN 133 -6.465 -7.292 16.159 1020 HD22 ASN 133 2HD2 ASN 133 -7.528 -8.273 15.269 1021 H ILE 134 H ILE 134 -3.568 -4.532 12.945 1022 HA ILE 134 HA ILE 134 -5.737 -3.866 11.229 1023 HB ILE 134 HB ILE 134 -3.080 -2.462 11.602 1024 HG12 ILE 134 2HG1 ILE 134 -5.703 -2.015 13.051 1025 HG13 ILE 134 1HG1 ILE 134 -4.386 -2.995 13.705 1026 HG21 ILE 134 1HG2 ILE 134 -3.919 -0.747 10.397 1027 HG22 ILE 134 2HG2 ILE 134 -5.499 -0.876 11.168 1028 HG23 ILE 134 3HG2 ILE 134 -5.100 -1.911 9.799 1029 HD11 ILE 134 1HD1 ILE 134 -2.872 -1.007 13.449 1030 HD12 ILE 134 2HD1 ILE 134 -4.175 -0.758 14.609 1031 HD13 ILE 134 3HD1 ILE 134 -4.282 -0.050 12.996 1032 H HIS 135 H HIS 135 -2.295 -4.478 10.600 1033 HA HIS 135 HA HIS 135 -2.391 -4.175 7.752 1034 HB2 HIS 135 2HB HIS 135 -0.241 -4.134 8.795 1035 HB3 HIS 135 1HB HIS 135 -0.533 -5.672 9.610 1036 HD1 HIS 135 1HD HIS 135 -1.695 -5.674 6.140 1037 HD2 HIS 135 2HD HIS 135 1.873 -6.529 8.118 1038 HE1 HIS 135 1HE HIS 135 -0.280 -7.001 4.511 1039 HE2 HIS 135 2HE HIS 135 1.905 -7.514 5.699 1040 H LYS 136 H LYS 136 -2.980 -6.908 9.913 1041 HA LYS 136 HA LYS 136 -3.018 -9.003 8.036 1042 HB2 LYS 136 2HB LYS 136 -3.316 -9.268 10.511 1043 HB3 LYS 136 1HB LYS 136 -4.955 -8.662 10.329 1044 HG2 LYS 136 2HG LYS 136 -5.446 -10.500 8.756 1045 HG3 LYS 136 1HG LYS 136 -3.820 -11.124 9.005 1046 HD2 LYS 136 2HD LYS 136 -4.326 -11.305 11.455 1047 HD3 LYS 136 1HD LYS 136 -5.992 -10.849 11.097 1048 HE2 LYS 136 2HE LYS 136 -6.205 -12.797 9.597 1049 HE3 LYS 136 1HE LYS 136 -4.542 -13.259 9.961 1050 HZ1 LYS 136 1HZ LYS 136 -6.769 -14.018 11.346 1051 HZ2 LYS 136 2HZ LYS 136 -6.079 -12.813 12.325 1052 HZ3 LYS 136 3HZ LYS 136 -5.164 -14.170 11.871 1053 H ALA 137 H ALA 137 -5.444 -6.529 8.724 1054 HA ALA 137 HA ALA 137 -7.536 -7.671 7.124 1055 HB1 ALA 137 1HB ALA 137 -8.314 -5.924 8.455 1056 HB2 ALA 137 2HB ALA 137 -8.145 -5.111 6.900 1057 HB3 ALA 137 3HB ALA 137 -6.895 -4.928 8.127 1058 H LEU 138 H LEU 138 -4.828 -5.484 6.400 1059 HA LEU 138 HA LEU 138 -5.574 -4.949 3.692 1060 HB2 LEU 138 2HB LEU 138 -2.937 -4.989 5.147 1061 HB3 LEU 138 1HB LEU 138 -3.000 -4.701 3.410 1062 HG LEU 138 HG LEU 138 -4.760 -3.130 5.276 1063 HD11 LEU 138 1HD1 LEU 138 -2.646 -1.457 4.737 1064 HD12 LEU 138 2HD1 LEU 138 -1.828 -2.996 4.997 1065 HD13 LEU 138 3HD1 LEU 138 -2.869 -2.328 6.254 1066 HD21 LEU 138 1HD2 LEU 138 -5.180 -1.881 3.416 1067 HD22 LEU 138 2HD2 LEU 138 -4.558 -3.276 2.537 1068 HD23 LEU 138 3HD2 LEU 138 -3.494 -1.919 2.900 1069 H ASP 139 H ASP 139 -3.741 -7.591 5.169 1070 HA ASP 139 HA ASP 139 -4.509 -9.579 3.372 1071 HB2 ASP 139 2HB ASP 139 -2.632 -7.770 2.152 1072 HB3 ASP 139 1HB ASP 139 -1.879 -9.354 2.327 1073 H GLY 140 H GLY 140 -1.060 -9.061 3.960 1074 HA2 GLY 140 2HA GLY 140 -0.844 -10.208 6.527 1075 HA3 GLY 140 1HA GLY 140 -0.804 -11.547 5.379 1076 HA PRO 141 HA PRO 141 3.527 -11.027 4.770 1077 HB2 PRO 141 2HB PRO 141 3.614 -11.179 1.958 1078 HB3 PRO 141 1HB PRO 141 3.724 -12.540 3.088 1079 HG2 PRO 141 2HG PRO 141 1.425 -11.587 1.500 1080 HG3 PRO 141 1HG PRO 141 1.816 -13.217 2.066 1081 HD2 PRO 141 2HD PRO 141 -0.150 -11.701 3.194 1082 HD3 PRO 141 1HD PRO 141 0.783 -12.905 4.111 1083 H SER 142 H SER 142 5.150 -9.543 3.796 1084 HA SER 142 HA SER 142 3.903 -6.915 3.130 1085 HB2 SER 142 2HB SER 142 5.350 -6.060 4.618 1086 HB3 SER 142 1HB SER 142 5.984 -7.675 4.926 1087 HG SER 142 HG SER 142 7.146 -7.220 2.806 1088 HA PRO 143 HA PRO 143 7.234 -7.435 -0.213 1089 HB2 PRO 143 2HB PRO 143 8.843 -9.604 -0.254 1090 HB3 PRO 143 1HB PRO 143 9.149 -8.218 0.812 1091 HG2 PRO 143 2HG PRO 143 8.081 -10.897 1.459 1092 HG3 PRO 143 1HG PRO 143 9.037 -9.788 2.451 1093 HD2 PRO 143 2HD PRO 143 6.226 -10.166 2.574 1094 HD3 PRO 143 1HD PRO 143 7.162 -8.895 3.387 1095 H GLY 144 H GLY 144 6.905 -10.976 0.149 1096 HA2 GLY 144 2HA GLY 144 6.268 -11.502 -2.539 1097 HA3 GLY 144 1HA GLY 144 5.777 -12.543 -1.197 1098 H GLU 145 H GLU 145 4.340 -10.080 -0.073 1099 HA GLU 145 HA GLU 145 1.718 -10.723 -0.916 1100 HB2 GLU 145 2HB GLU 145 2.292 -9.506 1.164 1101 HB3 GLU 145 1HB GLU 145 2.727 -8.103 0.200 1102 HG2 GLU 145 2HG GLU 145 0.330 -8.237 -0.755 1103 HG3 GLU 145 1HG GLU 145 -0.003 -9.327 0.590 1104 H THR 146 H THR 146 3.481 -7.716 -1.666 1105 HA THR 146 HA THR 146 1.615 -7.156 -3.861 1106 HB THR 146 HB THR 146 4.042 -5.519 -3.326 1107 HG1 THR 146 1HG THR 146 3.475 -5.109 -1.362 1108 HG21 THR 146 1HG2 THR 146 2.480 -4.739 -5.001 1109 HG22 THR 146 2HG2 THR 146 2.355 -3.695 -3.584 1110 HG23 THR 146 3HG2 THR 146 1.128 -4.927 -3.882 1111 H LEU 147 H LEU 147 5.147 -7.434 -3.598 1112 HA LEU 147 HA LEU 147 5.766 -7.134 -6.301 1113 HB2 LEU 147 2HB LEU 147 7.188 -8.801 -4.226 1114 HB3 LEU 147 1HB LEU 147 7.883 -8.246 -5.749 1115 HG LEU 147 HG LEU 147 6.815 -5.922 -4.680 1116 HD11 LEU 147 1HD1 LEU 147 7.939 -7.642 -2.461 1117 HD12 LEU 147 2HD1 LEU 147 6.395 -6.789 -2.508 1118 HD13 LEU 147 3HD1 LEU 147 7.897 -5.883 -2.373 1119 HD21 LEU 147 1HD2 LEU 147 9.325 -5.567 -3.989 1120 HD22 LEU 147 2HD2 LEU 147 8.896 -5.756 -5.689 1121 HD23 LEU 147 3HD2 LEU 147 9.566 -7.118 -4.791 1122 H ALA 148 H ALA 148 4.831 -10.142 -4.648 1123 HA ALA 148 HA ALA 148 5.546 -11.820 -6.877 1124 HB1 ALA 148 1HB ALA 148 4.938 -12.398 -4.363 1125 HB2 ALA 148 2HB ALA 148 4.670 -13.566 -5.656 1126 HB3 ALA 148 3HB ALA 148 3.324 -12.601 -5.048 1127 H ARG 149 H ARG 149 2.308 -10.807 -5.764 1128 HA ARG 149 HA ARG 149 1.061 -11.833 -8.153 1129 HB2 ARG 149 2HB ARG 149 -0.895 -10.349 -7.142 1130 HB3 ARG 149 1HB ARG 149 -0.414 -11.871 -6.403 1131 HG2 ARG 149 2HG ARG 149 0.628 -10.863 -4.628 1132 HG3 ARG 149 1HG ARG 149 1.077 -9.434 -5.559 1133 HD2 ARG 149 2HD ARG 149 -0.607 -8.740 -3.996 1134 HD3 ARG 149 1HD ARG 149 -1.376 -8.801 -5.574 1135 HE ARG 149 HE ARG 149 -1.845 -11.319 -4.510 1136 HH11 ARG 149 1HH1 ARG 149 -3.688 -11.791 -3.289 1137 HH12 ARG 149 2HH1 ARG 149 -4.509 -10.514 -2.455 1138 HH21 ARG 149 1HH2 ARG 149 -2.322 -8.047 -3.533 1139 HH22 ARG 149 2HH2 ARG 149 -3.736 -8.394 -2.594 1140 H PHE 150 H PHE 150 1.520 -8.446 -7.021 1141 HA PHE 150 HA PHE 150 0.341 -7.296 -9.362 1142 HB2 PHE 150 2HB PHE 150 0.512 -5.456 -8.106 1143 HB3 PHE 150 1HB PHE 150 1.495 -6.347 -6.941 1144 HD1 PHE 150 1HD PHE 150 1.452 -3.674 -9.287 1145 HD2 PHE 150 2HD PHE 150 4.004 -6.657 -7.577 1146 HE1 PHE 150 1HE PHE 150 3.447 -2.363 -9.963 1147 HE2 PHE 150 2HE PHE 150 5.992 -5.364 -8.240 1148 HZ PHE 150 HZ PHE 150 5.711 -3.220 -9.456 1149 H ALA 151 H ALA 151 3.723 -8.154 -8.662 1150 HA ALA 151 HA ALA 151 4.750 -6.782 -10.983 1151 HB1 ALA 151 1HB ALA 151 6.823 -7.762 -10.459 1152 HB2 ALA 151 2HB ALA 151 6.067 -9.173 -9.720 1153 HB3 ALA 151 3HB ALA 151 6.025 -7.616 -8.893 1154 H ASN 152 H ASN 152 3.785 -10.118 -10.357 1155 HA ASN 152 HA ASN 152 4.584 -11.208 -12.867 1156 HB2 ASN 152 2HB ASN 152 2.317 -12.039 -11.054 1157 HB3 ASN 152 1HB ASN 152 2.970 -13.016 -12.365 1158 HD21 ASN 152 1HD2 ASN 152 3.040 -13.896 -9.632 1159 HD22 ASN 152 2HD2 ASN 152 4.666 -13.952 -9.136 1160 H VAL 153 H VAL 153 1.485 -9.790 -11.850 1161 HA VAL 153 HA VAL 153 0.146 -10.324 -14.329 1162 HB VAL 153 HB VAL 153 -1.492 -8.633 -13.504 1163 HG11 VAL 153 1HG1 VAL 153 -1.472 -11.056 -12.778 1164 HG12 VAL 153 2HG1 VAL 153 -2.215 -9.960 -11.613 1165 HG13 VAL 153 3HG1 VAL 153 -0.574 -10.552 -11.345 1166 HG21 VAL 153 1HG2 VAL 153 -1.046 -7.788 -11.157 1167 HG22 VAL 153 2HG2 VAL 153 -0.038 -7.069 -12.408 1168 HG23 VAL 153 3HG2 VAL 153 0.614 -8.330 -11.368 1169 H ILE 154 H ILE 154 1.934 -7.467 -13.162 1170 HA ILE 154 HA ILE 154 1.264 -5.818 -15.392 1171 HB ILE 154 HB ILE 154 3.632 -5.774 -13.527 1172 HG12 ILE 154 2HG1 ILE 154 1.210 -3.978 -13.754 1173 HG13 ILE 154 1HG1 ILE 154 1.361 -5.294 -12.594 1174 HG21 ILE 154 1HG2 ILE 154 3.453 -3.269 -14.599 1175 HG22 ILE 154 2HG2 ILE 154 3.058 -4.276 -15.990 1176 HG23 ILE 154 3HG2 ILE 154 4.585 -4.507 -15.140 1177 HD11 ILE 154 1HD1 ILE 154 2.021 -3.286 -11.458 1178 HD12 ILE 154 2HD1 ILE 154 3.083 -2.817 -12.785 1179 HD13 ILE 154 3HD1 ILE 154 3.490 -4.209 -11.780 1180 HBC 969 201 HBC PDM 155 0.880 -2.828 1.498 1181 HBD 969 201 HBD PDM 155 0.911 -4.410 2.314 1182 HBE 969 201 HBE PDM 155 1.207 -4.306 0.562 1183 HBA 969 201 HBA PDM 155 3.000 -2.943 2.606 1184 HBB 969 201 HBB PDM 155 3.284 -4.608 2.050 1185 HA0 969 201 0HA PDM 155 2.481 -1.277 0.116 1186 HAY 969 201 HAY PDM 155 4.244 -1.178 -0.125 1187 HAZ 969 201 HAZ PDM 155 3.567 -1.198 1.522 1188 HBF 969 201 HBF PDM 155 2.402 -4.478 -0.384 1189 HAQ 969 201 HAQ PDM 155 4.794 -2.551 -5.377 1190 HAL 969 201 HAL PDM 155 6.589 -3.464 -7.668 1191 HAM 969 201 HAM PDM 155 9.046 -3.157 -7.789 1192 HAN 969 201 HAN PDM 155 10.365 -2.920 -5.711 1193 HAE 969 201 HAE PDM 155 10.622 -2.975 -0.910 1194 HAS 969 201 HAS PDM 155 10.627 -2.392 1.242 1195 HAT 969 201 HAT PDM 155 9.785 -3.677 2.140 1196 HAU 969 201 HAU PDM 155 9.118 -2.029 2.114 1197 HAV 969 201 HAV PDM 155 5.032 -3.937 2.633 Start of MODEL 17 1 H1 MET 1 1HT MET 1 4.217 -10.113 9.877 2 H2 MET 1 2HT MET 1 4.130 -11.029 8.448 3 H3 MET 1 3HT MET 1 5.494 -11.147 9.456 4 HA MET 1 HA MET 1 2.806 -12.273 9.813 5 HB2 MET 1 2HB MET 1 5.383 -13.257 9.252 6 HB3 MET 1 1HB MET 1 5.065 -13.709 10.927 7 HG2 MET 1 2HG MET 1 2.921 -14.715 10.264 8 HG3 MET 1 1HG MET 1 3.207 -14.242 8.589 9 HE1 MET 1 1HE MET 1 3.683 -18.231 9.540 10 HE2 MET 1 2HE MET 1 2.454 -17.039 9.124 11 HE3 MET 1 3HE MET 1 3.096 -17.097 10.764 12 HA PRO 2 HA PRO 2 4.795 -11.761 14.274 13 HB2 PRO 2 2HB PRO 2 6.287 -9.239 13.852 14 HB3 PRO 2 1HB PRO 2 6.772 -10.705 14.726 15 HG2 PRO 2 2HG PRO 2 7.825 -10.036 12.353 16 HG3 PRO 2 1HG PRO 2 7.586 -11.719 12.849 17 HD2 PRO 2 2HD PRO 2 5.999 -10.081 10.914 18 HD3 PRO 2 1HD PRO 2 6.366 -11.821 10.888 19 H GLU 3 H GLU 3 3.719 -10.539 15.881 20 HA GLU 3 HA GLU 3 1.520 -8.920 15.052 21 HB2 GLU 3 2HB GLU 3 2.863 -9.185 17.759 22 HB3 GLU 3 1HB GLU 3 1.312 -8.399 17.485 23 HG2 GLU 3 2HG GLU 3 0.428 -10.515 16.531 24 HG3 GLU 3 1HG GLU 3 1.967 -11.297 16.892 25 H GLU 4 H GLU 4 4.826 -8.151 15.932 26 HA GLU 4 HA GLU 4 4.217 -5.250 15.955 27 HB2 GLU 4 2HB GLU 4 5.730 -6.233 17.685 28 HB3 GLU 4 1HB GLU 4 6.856 -6.650 16.395 29 HG2 GLU 4 2HG GLU 4 6.956 -4.247 15.743 30 HG3 GLU 4 1HG GLU 4 5.916 -3.861 17.115 31 H ILE 5 H ILE 5 5.035 -3.831 14.394 32 HA ILE 5 HA ILE 5 6.253 -5.130 11.994 33 HB ILE 5 HB ILE 5 4.975 -2.550 11.532 34 HG12 ILE 5 2HG1 ILE 5 3.486 -3.400 13.324 35 HG13 ILE 5 1HG1 ILE 5 2.678 -3.308 11.767 36 HG21 ILE 5 1HG2 ILE 5 5.679 -4.018 9.742 37 HG22 ILE 5 2HG2 ILE 5 3.923 -3.857 9.712 38 HG23 ILE 5 3HG2 ILE 5 4.662 -5.313 10.372 39 HD11 ILE 5 1HD1 ILE 5 2.393 -5.538 11.659 40 HD12 ILE 5 2HD1 ILE 5 2.760 -5.540 13.381 41 HD13 ILE 5 3HD1 ILE 5 4.034 -5.860 12.208 42 HA PRO 6 HA PRO 6 9.336 -2.050 13.423 43 HB2 PRO 6 2HB PRO 6 11.550 -3.487 12.691 44 HB3 PRO 6 1HB PRO 6 10.715 -3.696 14.242 45 HG2 PRO 6 2HG PRO 6 10.695 -5.408 11.842 46 HG3 PRO 6 1HG PRO 6 10.470 -5.837 13.544 47 HD2 PRO 6 2HD PRO 6 8.430 -5.573 11.621 48 HD3 PRO 6 1HD PRO 6 8.200 -5.664 13.381 49 H ASP 7 H ASP 7 11.027 -0.856 12.167 50 HA ASP 7 HA ASP 7 10.129 -0.245 9.520 51 HB2 ASP 7 2HB ASP 7 12.074 1.226 9.422 52 HB3 ASP 7 1HB ASP 7 11.323 1.357 11.011 53 H VAL 8 H VAL 8 10.603 -1.233 7.639 54 HA VAL 8 HA VAL 8 13.174 -2.702 7.371 55 HB VAL 8 HB VAL 8 11.411 -4.377 7.912 56 HG11 VAL 8 1HG1 VAL 8 10.122 -3.337 5.367 57 HG12 VAL 8 2HG1 VAL 8 9.476 -3.172 6.999 58 HG13 VAL 8 3HG1 VAL 8 9.607 -4.766 6.262 59 HG21 VAL 8 1HG2 VAL 8 11.754 -5.050 5.103 60 HG22 VAL 8 2HG2 VAL 8 12.479 -5.800 6.525 61 HG23 VAL 8 3HG2 VAL 8 13.241 -4.392 5.786 62 H ARG 9 H ARG 9 14.072 -2.475 5.298 63 HA ARG 9 HA ARG 9 12.426 -0.912 3.339 64 HB2 ARG 9 2HB ARG 9 14.233 0.440 4.390 65 HB3 ARG 9 1HB ARG 9 15.417 -0.724 3.789 66 HG2 ARG 9 2HG ARG 9 14.788 -0.247 1.485 67 HG3 ARG 9 1HG ARG 9 13.492 0.819 2.027 68 HD2 ARG 9 2HD ARG 9 15.351 2.223 1.426 69 HD3 ARG 9 1HD ARG 9 15.257 2.218 3.185 70 HE ARG 9 HE ARG 9 17.366 0.948 1.560 71 HH11 ARG 9 1HH1 ARG 9 19.150 0.249 2.754 72 HH12 ARG 9 2HH1 ARG 9 19.054 0.200 4.482 73 HH21 ARG 9 1HH2 ARG 9 15.792 1.366 4.606 74 HH22 ARG 9 2HH2 ARG 9 17.157 0.832 5.529 75 H LYS 10 H LYS 10 12.159 -1.910 1.423 76 HA LYS 10 HA LYS 10 14.262 -3.795 0.482 77 HB2 LYS 10 2HB LYS 10 11.288 -4.394 0.488 78 HB3 LYS 10 1HB LYS 10 12.542 -5.420 -0.211 79 HG2 LYS 10 2HG LYS 10 13.618 -5.461 2.100 80 HG3 LYS 10 1HG LYS 10 12.134 -4.726 2.706 81 HD2 LYS 10 2HD LYS 10 12.248 -7.326 1.151 82 HD3 LYS 10 1HD LYS 10 12.126 -7.216 2.907 83 HE2 LYS 10 2HE LYS 10 10.040 -5.780 2.522 84 HE3 LYS 10 1HE LYS 10 10.108 -6.316 0.844 85 HZ1 LYS 10 1HZ LYS 10 9.884 -8.043 3.247 86 HZ2 LYS 10 2HZ LYS 10 10.088 -8.620 1.662 87 HZ3 LYS 10 3HZ LYS 10 8.681 -7.765 2.083 88 H SER 11 H SER 11 14.090 -4.174 -1.891 89 HA SER 11 HA SER 11 12.345 -2.347 -3.390 90 HB2 SER 11 2HB SER 11 14.147 -1.154 -4.475 91 HB3 SER 11 1HB SER 11 14.297 -0.959 -2.727 92 HG SER 11 HG SER 11 16.276 -1.606 -3.219 93 H VAL 12 H VAL 12 12.216 -2.878 -5.609 94 HA VAL 12 HA VAL 12 13.904 -5.016 -6.693 95 HB VAL 12 HB VAL 12 11.000 -5.449 -6.042 96 HG11 VAL 12 1HG1 VAL 12 11.117 -6.171 -8.290 97 HG12 VAL 12 2HG1 VAL 12 11.409 -7.640 -7.359 98 HG13 VAL 12 3HG1 VAL 12 12.761 -6.779 -8.095 99 HG21 VAL 12 1HG2 VAL 12 13.600 -6.853 -5.414 100 HG22 VAL 12 2HG2 VAL 12 12.044 -7.658 -5.223 101 HG23 VAL 12 3HG2 VAL 12 12.410 -6.212 -4.281 102 H VAL 13 H VAL 13 13.509 -5.336 -8.992 103 HA VAL 13 HA VAL 13 12.251 -2.933 -10.205 104 HB VAL 13 HB VAL 13 14.180 -4.930 -11.419 105 HG11 VAL 13 1HG1 VAL 13 12.613 -2.655 -12.462 106 HG12 VAL 13 2HG1 VAL 13 13.355 -4.001 -13.327 107 HG13 VAL 13 3HG1 VAL 13 14.329 -2.604 -12.867 108 HG21 VAL 13 1HG2 VAL 13 14.942 -2.110 -10.884 109 HG22 VAL 13 2HG2 VAL 13 15.907 -3.579 -10.748 110 HG23 VAL 13 3HG2 VAL 13 14.775 -3.145 -9.467 111 H VAL 14 H VAL 14 10.519 -3.136 -11.541 112 HA VAL 14 HA VAL 14 9.637 -5.900 -12.262 113 HB VAL 14 HB VAL 14 8.170 -5.112 -10.500 114 HG11 VAL 14 1HG1 VAL 14 8.090 -2.597 -12.179 115 HG12 VAL 14 2HG1 VAL 14 8.548 -2.759 -10.483 116 HG13 VAL 14 3HG1 VAL 14 6.861 -2.946 -10.964 117 HG21 VAL 14 1HG2 VAL 14 7.169 -6.202 -12.570 118 HG22 VAL 14 2HG2 VAL 14 6.762 -4.582 -13.135 119 HG23 VAL 14 3HG2 VAL 14 6.050 -5.201 -11.647 120 H ALA 15 H ALA 15 8.371 -5.996 -14.264 121 HA ALA 15 HA ALA 15 9.374 -4.145 -16.268 122 HB1 ALA 15 1HB ALA 15 8.725 -5.761 -17.720 123 HB2 ALA 15 2HB ALA 15 7.079 -5.762 -17.086 124 HB3 ALA 15 3HB ALA 15 8.328 -6.729 -16.300 125 H ALA 16 H ALA 16 8.548 -2.051 -15.736 126 HA ALA 16 HA ALA 16 5.848 -1.510 -16.601 127 HB1 ALA 16 1HB ALA 16 4.729 -1.157 -14.581 128 HB2 ALA 16 2HB ALA 16 6.228 -0.976 -13.668 129 HB3 ALA 16 3HB ALA 16 5.702 -2.576 -14.191 130 H SER 17 H SER 17 5.350 0.829 -16.320 131 HA SER 17 HA SER 17 7.860 2.424 -16.195 132 HB2 SER 17 2HB SER 17 5.148 3.144 -17.358 133 HB3 SER 17 1HB SER 17 6.597 4.143 -17.432 134 HG SER 17 HG SER 17 7.020 1.594 -18.298 135 H VAL 18 H VAL 18 7.884 4.288 -14.785 136 HA VAL 18 HA VAL 18 6.586 4.014 -12.320 137 HB VAL 18 HB VAL 18 7.337 6.207 -11.805 138 HG11 VAL 18 1HG1 VAL 18 9.521 5.713 -12.110 139 HG12 VAL 18 2HG1 VAL 18 9.378 5.856 -13.863 140 HG13 VAL 18 3HG1 VAL 18 8.967 4.336 -13.065 141 HG21 VAL 18 1HG2 VAL 18 7.203 6.668 -14.794 142 HG22 VAL 18 2HG2 VAL 18 8.009 7.779 -13.687 143 HG23 VAL 18 3HG2 VAL 18 6.278 7.491 -13.539 144 H GLU 19 H GLU 19 5.548 5.874 -15.170 145 HA GLU 19 HA GLU 19 3.193 6.980 -13.983 146 HB2 GLU 19 2HB GLU 19 4.184 7.643 -16.209 147 HB3 GLU 19 1HB GLU 19 3.508 6.154 -16.866 148 HG2 GLU 19 2HG GLU 19 1.926 7.935 -17.276 149 HG3 GLU 19 1HG GLU 19 1.253 6.885 -16.034 150 H HIS 20 H HIS 20 3.832 3.925 -15.653 151 HA HIS 20 HA HIS 20 1.116 2.966 -15.576 152 HB2 HIS 20 2HB HIS 20 2.613 1.893 -17.107 153 HB3 HIS 20 1HB HIS 20 3.772 1.541 -15.821 154 HD1 HIS 20 1HD HIS 20 0.799 0.192 -17.501 155 HD2 HIS 20 2HD HIS 20 2.709 -0.394 -13.834 156 HE1 HIS 20 1HE HIS 20 -0.144 -1.944 -16.524 157 HE2 HIS 20 2HE HIS 20 1.030 -2.325 -14.318 158 H CYS 21 H CYS 21 3.918 2.519 -13.454 159 HA CYS 21 HA CYS 21 2.919 0.629 -11.655 160 HB2 CYS 21 2HB CYS 21 4.577 3.107 -11.108 161 HB3 CYS 21 1HB CYS 21 4.370 1.782 -9.969 162 HG CYS 21 HG CYS 21 5.967 1.609 -12.629 163 H PHE 22 H PHE 22 2.387 4.129 -11.715 164 HA PHE 22 HA PHE 22 0.609 3.962 -9.410 165 HB2 PHE 22 2HB PHE 22 1.887 6.089 -10.930 166 HB3 PHE 22 1HB PHE 22 0.206 6.461 -10.522 167 HD1 PHE 22 1HD PHE 22 -0.468 6.866 -8.273 168 HD2 PHE 22 2HD PHE 22 3.460 5.357 -9.121 169 HE1 PHE 22 1HE PHE 22 0.161 7.176 -5.897 170 HE2 PHE 22 2HE PHE 22 4.096 5.673 -6.749 171 HZ PHE 22 HZ PHE 22 2.440 6.568 -5.141 172 H GLU 23 H GLU 23 0.310 3.848 -12.868 173 HA GLU 23 HA GLU 23 -2.427 4.603 -13.099 174 HB2 GLU 23 2HB GLU 23 -0.961 4.218 -15.060 175 HB3 GLU 23 1HB GLU 23 -0.919 2.502 -14.668 176 HG2 GLU 23 2HG GLU 23 -3.383 2.394 -14.907 177 HG3 GLU 23 1HG GLU 23 -3.396 4.098 -15.367 178 H VAL 24 H VAL 24 -0.862 1.523 -12.323 179 HA VAL 24 HA VAL 24 -3.283 -0.008 -12.165 180 HB VAL 24 HB VAL 24 -0.571 -0.391 -10.860 181 HG11 VAL 24 1HG1 VAL 24 -2.987 -2.200 -11.060 182 HG12 VAL 24 2HG1 VAL 24 -2.191 -1.632 -9.593 183 HG13 VAL 24 3HG1 VAL 24 -1.371 -2.778 -10.652 184 HG21 VAL 24 1HG2 VAL 24 0.037 -0.999 -12.946 185 HG22 VAL 24 2HG2 VAL 24 -1.611 -0.784 -13.536 186 HG23 VAL 24 3HG2 VAL 24 -1.117 -2.329 -12.841 187 H PHE 25 H PHE 25 -1.365 1.790 -9.778 188 HA PHE 25 HA PHE 25 -2.824 1.026 -7.456 189 HB2 PHE 25 2HB PHE 25 -1.198 3.454 -8.178 190 HB3 PHE 25 1HB PHE 25 -1.979 3.315 -6.612 191 HD1 PHE 25 1HD PHE 25 0.293 3.426 -5.600 192 HD2 PHE 25 2HD PHE 25 -0.871 0.184 -8.185 193 HE1 PHE 25 1HE PHE 25 2.174 2.060 -4.765 194 HE2 PHE 25 2HE PHE 25 0.997 -1.159 -7.344 195 HZ PHE 25 HZ PHE 25 2.519 -0.236 -5.638 196 H THR 26 H THR 26 -3.320 3.742 -9.699 197 HA THR 26 HA THR 26 -5.749 4.455 -8.194 198 HB THR 26 HB THR 26 -5.816 6.392 -9.813 199 HG1 THR 26 1HG THR 26 -4.591 5.462 -11.456 200 HG21 THR 26 1HG2 THR 26 -3.281 6.995 -8.783 201 HG22 THR 26 2HG2 THR 26 -3.961 5.827 -7.650 202 HG23 THR 26 3HG2 THR 26 -4.834 7.321 -8.006 203 H SER 27 H SER 27 -5.033 2.338 -10.658 204 HA SER 27 HA SER 27 -7.560 2.868 -12.121 205 HB2 SER 27 2HB SER 27 -5.672 2.395 -13.544 206 HB3 SER 27 1HB SER 27 -5.307 0.929 -12.642 207 HG SER 27 HG SER 27 -7.569 1.488 -14.255 208 H ARG 28 H ARG 28 -5.985 0.055 -10.502 209 HA ARG 28 HA ARG 28 -8.498 -0.734 -9.283 210 HB2 ARG 28 2HB ARG 28 -8.419 -3.008 -10.609 211 HB3 ARG 28 1HB ARG 28 -9.254 -1.617 -11.291 212 HG2 ARG 28 2HG ARG 28 -7.870 -2.579 -13.022 213 HG3 ARG 28 1HG ARG 28 -7.137 -1.056 -12.550 214 HD2 ARG 28 2HD ARG 28 -5.492 -2.225 -11.185 215 HD3 ARG 28 1HD ARG 28 -6.292 -3.770 -11.482 216 HE ARG 28 HE ARG 28 -4.455 -2.437 -13.281 217 HH11 ARG 28 1HH1 ARG 28 -4.121 -3.428 -15.284 218 HH12 ARG 28 2HH1 ARG 28 -5.241 -4.625 -15.840 219 HH21 ARG 28 1HH2 ARG 28 -7.265 -4.417 -13.031 220 HH22 ARG 28 2HH2 ARG 28 -7.022 -5.187 -14.564 221 HA PRO 29 HA PRO 29 -4.425 -2.465 -7.667 222 HB2 PRO 29 2HB PRO 29 -4.904 -1.641 -5.049 223 HB3 PRO 29 1HB PRO 29 -3.879 -0.800 -6.225 224 HG2 PRO 29 2HG PRO 29 -6.643 -0.222 -5.374 225 HG3 PRO 29 1HG PRO 29 -5.366 0.880 -5.889 226 HD2 PRO 29 2HD PRO 29 -7.483 0.199 -7.489 227 HD3 PRO 29 1HD PRO 29 -5.890 0.651 -8.134 228 H ALA 30 H ALA 30 -7.761 -2.616 -6.572 229 HA ALA 30 HA ALA 30 -7.323 -4.937 -4.857 230 HB1 ALA 30 1HB ALA 30 -10.030 -4.854 -5.468 231 HB2 ALA 30 2HB ALA 30 -9.529 -3.172 -5.538 232 HB3 ALA 30 3HB ALA 30 -9.259 -4.108 -4.070 233 H ASP 31 H ASP 31 -8.364 -4.417 -8.191 234 HA ASP 31 HA ASP 31 -9.501 -6.922 -8.748 235 HB2 ASP 31 2HB ASP 31 -9.412 -5.025 -10.353 236 HB3 ASP 31 1HB ASP 31 -7.697 -5.350 -10.608 237 H TRP 32 H TRP 32 -6.075 -6.098 -8.408 238 HA TRP 32 HA TRP 32 -5.394 -8.917 -9.104 239 HB2 TRP 32 2HB TRP 32 -3.502 -8.067 -9.989 240 HB3 TRP 32 1HB TRP 32 -4.063 -6.441 -9.592 241 HD1 TRP 32 HD TRP 32 -1.848 -9.253 -8.296 242 HE1 TRP 32 1HE TRP 32 -0.371 -8.352 -6.388 243 HE3 TRP 32 3HE TRP 32 -3.832 -4.614 -7.803 244 HZ2 TRP 32 2HZ TRP 32 -0.089 -5.954 -4.860 245 HZ3 TRP 32 3HZ TRP 32 -2.938 -3.022 -6.109 246 HH2 TRP 32 HH TRP 32 -1.060 -3.688 -4.646 247 H TRP 33 H TRP 33 -5.489 -10.253 -7.371 248 HA TRP 33 HA TRP 33 -4.712 -9.173 -4.696 249 HB2 TRP 33 2HB TRP 33 -6.080 -11.749 -4.676 250 HB3 TRP 33 1HB TRP 33 -6.505 -10.251 -3.843 251 HD1 TRP 33 HD TRP 33 -8.609 -9.101 -4.661 252 HE1 TRP 33 1HE TRP 33 -10.050 -9.185 -6.797 253 HE3 TRP 33 3HE TRP 33 -5.779 -12.255 -7.511 254 HZ2 TRP 33 2HZ TRP 33 -10.007 -10.426 -9.375 255 HZ3 TRP 33 3HZ TRP 33 -6.501 -12.870 -9.801 256 HH2 TRP 33 HH TRP 33 -8.609 -11.960 -10.735 257 HA PRO 34 HA PRO 34 -1.386 -11.987 -4.030 258 HB2 PRO 34 2HB PRO 34 -2.984 -13.720 -2.204 259 HB3 PRO 34 1HB PRO 34 -1.435 -12.907 -1.917 260 HG2 PRO 34 2HG PRO 34 -3.698 -12.005 -0.847 261 HG3 PRO 34 1HG PRO 34 -2.420 -10.907 -1.394 262 HD2 PRO 34 2HD PRO 34 -5.050 -11.515 -2.662 263 HD3 PRO 34 1HD PRO 34 -4.110 -10.006 -2.678 264 HA PRO 35 HA PRO 35 -1.502 -15.528 -6.682 265 HB2 PRO 35 2HB PRO 35 -0.534 -17.245 -4.438 266 HB3 PRO 35 1HB PRO 35 0.118 -17.056 -6.076 267 HG2 PRO 35 2HG PRO 35 1.280 -15.933 -3.946 268 HG3 PRO 35 1HG PRO 35 1.285 -15.168 -5.542 269 HD2 PRO 35 2HD PRO 35 -0.238 -14.413 -3.110 270 HD3 PRO 35 1HD PRO 35 0.273 -13.410 -4.484 271 H SER 36 H SER 36 -2.842 -17.339 -7.173 272 HA SER 36 HA SER 36 -5.342 -17.517 -5.872 273 HB2 SER 36 2HB SER 36 -4.831 -18.368 -8.181 274 HB3 SER 36 1HB SER 36 -3.987 -19.727 -7.446 275 HG SER 36 HG SER 36 -6.676 -19.028 -6.867 276 H HIS 37 H HIS 37 -2.324 -19.219 -5.262 277 HA HIS 37 HA HIS 37 -3.207 -21.358 -3.679 278 HB2 HIS 37 2HB HIS 37 -0.785 -19.588 -3.223 279 HB3 HIS 37 1HB HIS 37 -1.028 -21.180 -2.505 280 HD1 HIS 37 1HD HIS 37 -1.467 -23.162 -4.393 281 HD2 HIS 37 2HD HIS 37 0.491 -19.708 -5.673 282 HE1 HIS 37 1HE HIS 37 -0.308 -23.757 -6.568 283 HE2 HIS 37 2HE HIS 37 0.886 -21.662 -7.355 284 H VAL 38 H VAL 38 -2.921 -17.934 -2.846 285 HA VAL 38 HA VAL 38 -4.059 -18.556 -0.151 286 HB VAL 38 HB VAL 38 -2.661 -16.033 -1.088 287 HG11 VAL 38 1HG1 VAL 38 -4.339 -16.561 1.131 288 HG12 VAL 38 2HG1 VAL 38 -3.341 -15.133 0.860 289 HG13 VAL 38 3HG1 VAL 38 -2.691 -16.505 1.757 290 HG21 VAL 38 1HG2 VAL 38 -1.156 -17.316 0.901 291 HG22 VAL 38 2HG2 VAL 38 -0.758 -17.219 -0.814 292 HG23 VAL 38 3HG2 VAL 38 -1.648 -18.609 -0.192 293 H LEU 39 H LEU 39 -6.102 -17.854 0.280 294 HA LEU 39 HA LEU 39 -7.443 -16.189 -1.798 295 HB2 LEU 39 2HB LEU 39 -8.687 -17.852 0.414 296 HB3 LEU 39 1HB LEU 39 -9.538 -17.076 -0.923 297 HG LEU 39 HG LEU 39 -7.485 -19.297 -1.149 298 HD11 LEU 39 1HD1 LEU 39 -9.321 -20.576 -0.807 299 HD12 LEU 39 2HD1 LEU 39 -9.846 -20.044 -2.405 300 HD13 LEU 39 3HD1 LEU 39 -10.406 -19.195 -0.964 301 HD21 LEU 39 1HD2 LEU 39 -8.789 -17.481 -3.154 302 HD22 LEU 39 2HD2 LEU 39 -8.442 -19.149 -3.611 303 HD23 LEU 39 3HD2 LEU 39 -7.131 -18.082 -3.107 304 H VAL 40 H VAL 40 -8.636 -14.324 -1.157 305 HA VAL 40 HA VAL 40 -7.638 -13.067 1.309 306 HB VAL 40 HB VAL 40 -7.875 -11.798 -0.860 307 HG11 VAL 40 1HG1 VAL 40 -10.841 -11.931 -0.265 308 HG12 VAL 40 2HG1 VAL 40 -10.052 -12.955 -1.462 309 HG13 VAL 40 3HG1 VAL 40 -10.058 -11.204 -1.668 310 HG21 VAL 40 1HG2 VAL 40 -9.003 -9.816 0.196 311 HG22 VAL 40 2HG2 VAL 40 -7.783 -10.558 1.230 312 HG23 VAL 40 3HG2 VAL 40 -9.493 -10.861 1.529 313 H LYS 41 H LYS 41 -8.807 -12.916 3.195 314 HA LYS 41 HA LYS 41 -11.166 -14.477 3.580 315 HB2 LYS 41 2HB LYS 41 -10.039 -12.202 5.223 316 HB3 LYS 41 1HB LYS 41 -11.335 -13.268 5.762 317 HG2 LYS 41 2HG LYS 41 -9.808 -15.219 5.420 318 HG3 LYS 41 1HG LYS 41 -8.510 -14.090 5.030 319 HD2 LYS 41 2HD LYS 41 -8.812 -13.023 7.262 320 HD3 LYS 41 1HD LYS 41 -10.025 -14.244 7.650 321 HE2 LYS 41 2HE LYS 41 -8.204 -15.976 7.067 322 HE3 LYS 41 1HE LYS 41 -7.070 -14.630 7.175 323 HZ1 LYS 41 1HZ LYS 41 -8.795 -14.565 9.392 324 HZ2 LYS 41 2HZ LYS 41 -7.112 -14.788 9.367 325 HZ3 LYS 41 3HZ LYS 41 -8.151 -16.128 9.259 326 H LYS 42 H LYS 42 -10.668 -11.077 2.822 327 HA LYS 42 HA LYS 42 -13.632 -10.777 2.520 328 HB2 LYS 42 2HB LYS 42 -13.339 -8.399 2.990 329 HB3 LYS 42 1HB LYS 42 -12.615 -9.334 4.300 330 HG2 LYS 42 2HG LYS 42 -10.396 -9.118 3.151 331 HG3 LYS 42 1HG LYS 42 -11.159 -8.050 1.973 332 HD2 LYS 42 2HD LYS 42 -11.884 -6.582 3.891 333 HD3 LYS 42 1HD LYS 42 -10.902 -7.587 4.956 334 HE2 LYS 42 2HE LYS 42 -8.895 -6.883 3.994 335 HE3 LYS 42 1HE LYS 42 -9.666 -6.417 2.480 336 HZ1 LYS 42 1HZ LYS 42 -9.399 -4.380 3.405 337 HZ2 LYS 42 2HZ LYS 42 -9.481 -4.955 5.002 338 HZ3 LYS 42 3HZ LYS 42 -10.903 -4.762 4.091 339 H GLU 43 H GLU 43 -14.334 -10.097 0.494 340 HA GLU 43 HA GLU 43 -12.234 -9.917 -1.587 341 HB2 GLU 43 2HB GLU 43 -15.239 -10.144 -1.820 342 HB3 GLU 43 1HB GLU 43 -14.113 -10.168 -3.175 343 HG2 GLU 43 2HG GLU 43 -13.006 -12.164 -2.182 344 HG3 GLU 43 1HG GLU 43 -14.211 -12.164 -0.893 345 H ARG 44 H ARG 44 -11.604 -7.971 -2.336 346 HA ARG 44 HA ARG 44 -12.832 -5.513 -1.484 347 HB2 ARG 44 2HB ARG 44 -10.932 -6.033 -3.787 348 HB3 ARG 44 1HB ARG 44 -11.290 -4.451 -3.095 349 HG2 ARG 44 2HG ARG 44 -10.150 -6.755 -1.485 350 HG3 ARG 44 1HG ARG 44 -9.154 -5.524 -2.250 351 HD2 ARG 44 2HD ARG 44 -10.586 -3.804 -0.986 352 HD3 ARG 44 1HD ARG 44 -11.165 -5.168 -0.030 353 HE ARG 44 HE ARG 44 -8.278 -5.130 -0.138 354 HH11 ARG 44 1HH1 ARG 44 -7.208 -4.536 1.761 355 HH12 ARG 44 2HH1 ARG 44 -8.082 -3.714 3.011 356 HH21 ARG 44 1HH2 ARG 44 -11.082 -3.708 1.275 357 HH22 ARG 44 2HH2 ARG 44 -10.275 -3.246 2.735 358 H ALA 45 H ALA 45 -14.274 -4.170 -2.603 359 HA ALA 45 HA ALA 45 -15.601 -5.445 -4.962 360 HB1 ALA 45 1HB ALA 45 -17.534 -3.906 -4.214 361 HB2 ALA 45 2HB ALA 45 -16.617 -3.711 -2.719 362 HB3 ALA 45 3HB ALA 45 -17.177 -5.312 -3.209 363 H GLY 46 H GLY 46 -14.811 -2.218 -3.603 364 HA2 GLY 46 2HA GLY 46 -14.249 -1.290 -6.357 365 HA3 GLY 46 1HA GLY 46 -15.555 -0.466 -5.511 366 H LEU 47 H LEU 47 -13.357 1.011 -6.285 367 HA LEU 47 HA LEU 47 -12.291 1.801 -3.652 368 HB2 LEU 47 2HB LEU 47 -10.330 1.553 -5.923 369 HB3 LEU 47 1HB LEU 47 -10.018 1.673 -4.196 370 HG LEU 47 HG LEU 47 -11.196 -0.622 -4.011 371 HD11 LEU 47 1HD1 LEU 47 -11.929 -1.622 -5.899 372 HD12 LEU 47 2HD1 LEU 47 -10.359 -1.406 -6.670 373 HD13 LEU 47 3HD1 LEU 47 -11.568 -0.134 -6.772 374 HD21 LEU 47 1HD2 LEU 47 -9.131 -1.589 -3.983 375 HD22 LEU 47 2HD2 LEU 47 -8.568 0.055 -4.243 376 HD23 LEU 47 3HD2 LEU 47 -8.745 -1.040 -5.612 377 H ALA 48 H ALA 48 -11.786 3.988 -3.549 378 HA ALA 48 HA ALA 48 -12.386 5.560 -6.015 379 HB1 ALA 48 1HB ALA 48 -13.524 5.833 -3.541 380 HB2 ALA 48 2HB ALA 48 -13.374 7.154 -4.699 381 HB3 ALA 48 3HB ALA 48 -12.181 6.970 -3.416 382 H PHE 49 H PHE 49 -10.734 6.878 -6.821 383 HA PHE 49 HA PHE 49 -8.255 7.087 -5.167 384 HB2 PHE 49 2HB PHE 49 -8.663 5.675 -7.709 385 HB3 PHE 49 1HB PHE 49 -7.292 6.782 -7.712 386 HD1 PHE 49 1HD PHE 49 -5.505 6.554 -5.967 387 HD2 PHE 49 2HD PHE 49 -8.619 3.643 -6.465 388 HE1 PHE 49 1HE PHE 49 -4.138 4.886 -4.744 389 HE2 PHE 49 2HE PHE 49 -7.259 1.975 -5.237 390 HZ PHE 49 HZ PHE 49 -5.008 2.596 -4.384 391 H GLU 50 H GLU 50 -7.552 9.149 -5.111 392 HA GLU 50 HA GLU 50 -8.097 10.886 -7.478 393 HB2 GLU 50 2HB GLU 50 -8.746 11.320 -4.616 394 HB3 GLU 50 1HB GLU 50 -8.125 12.706 -5.506 395 HG2 GLU 50 2HG GLU 50 -10.658 12.370 -5.462 396 HG3 GLU 50 1HG GLU 50 -9.922 12.649 -7.042 397 HA PRO 51 HA PRO 51 -3.685 11.642 -6.809 398 HB2 PRO 51 2HB PRO 51 -3.215 13.384 -8.785 399 HB3 PRO 51 1HB PRO 51 -3.695 11.713 -9.153 400 HG2 PRO 51 2HG PRO 51 -5.345 14.200 -9.165 401 HG3 PRO 51 1HG PRO 51 -5.327 12.855 -10.319 402 HD2 PRO 51 2HD PRO 51 -7.193 13.135 -8.275 403 HD3 PRO 51 1HD PRO 51 -6.779 11.600 -9.075 404 H PHE 52 H PHE 52 -2.457 13.149 -5.584 405 HA PHE 52 HA PHE 52 -2.511 15.892 -5.532 406 HB2 PHE 52 2HB PHE 52 -4.057 16.244 -3.434 407 HB3 PHE 52 1HB PHE 52 -4.759 16.248 -5.042 408 HD1 PHE 52 1HD PHE 52 -6.938 15.726 -3.863 409 HD2 PHE 52 2HD PHE 52 -3.631 12.975 -3.809 410 HE1 PHE 52 1HE PHE 52 -8.453 13.885 -3.175 411 HE2 PHE 52 2HE PHE 52 -5.154 11.155 -3.153 412 HZ PHE 52 HZ PHE 52 -7.540 11.595 -2.821 413 H VAL 53 H VAL 53 -1.922 16.857 -3.301 414 HA VAL 53 HA VAL 53 0.008 15.025 -2.013 415 HB VAL 53 HB VAL 53 1.109 17.040 -2.197 416 HG11 VAL 53 1HG1 VAL 53 -0.566 18.221 -3.434 417 HG12 VAL 53 2HG1 VAL 53 -0.147 19.251 -2.065 418 HG13 VAL 53 3HG1 VAL 53 -1.634 18.306 -2.032 419 HG21 VAL 53 1HG2 VAL 53 -0.557 17.825 0.201 420 HG22 VAL 53 2HG2 VAL 53 1.138 18.193 -0.115 421 HG23 VAL 53 3HG2 VAL 53 0.654 16.545 0.284 422 H GLY 54 H GLY 54 -0.245 14.356 0.200 423 HA2 GLY 54 2HA GLY 54 -1.494 13.918 2.173 424 HA3 GLY 54 1HA GLY 54 -2.291 15.483 1.918 425 H GLY 55 H GLY 55 -2.042 13.034 -0.485 426 HA2 GLY 55 2HA GLY 55 -4.797 13.131 -1.163 427 HA3 GLY 55 1HA GLY 55 -3.599 12.002 -1.794 428 H ARG 56 H ARG 56 -5.975 10.896 -1.608 429 HA ARG 56 HA ARG 56 -5.650 9.080 0.727 430 HB2 ARG 56 2HB ARG 56 -8.174 10.636 0.122 431 HB3 ARG 56 1HB ARG 56 -8.099 9.272 1.236 432 HG2 ARG 56 2HG ARG 56 -6.351 10.491 2.538 433 HG3 ARG 56 1HG ARG 56 -6.567 11.877 1.471 434 HD2 ARG 56 2HD ARG 56 -8.701 10.629 3.224 435 HD3 ARG 56 1HD ARG 56 -7.903 12.176 3.503 436 HE ARG 56 HE ARG 56 -9.034 12.304 0.921 437 HH11 ARG 56 1HH1 ARG 56 -11.044 13.289 0.619 438 HH12 ARG 56 2HH1 ARG 56 -12.132 13.436 1.959 439 HH21 ARG 56 1HH2 ARG 56 -9.990 11.891 4.207 440 HH22 ARG 56 2HH2 ARG 56 -11.535 12.644 3.990 441 H TYR 57 H TYR 57 -6.400 7.008 0.354 442 HA TYR 57 HA TYR 57 -7.694 6.492 -2.292 443 HB2 TYR 57 2HB TYR 57 -5.826 4.617 -0.809 444 HB3 TYR 57 1HB TYR 57 -6.520 4.363 -2.407 445 HD1 TYR 57 1HD TYR 57 -3.523 4.801 -1.122 446 HD2 TYR 57 2HD TYR 57 -6.149 7.011 -3.716 447 HE1 TYR 57 1HE TYR 57 -1.575 5.951 -2.131 448 HE2 TYR 57 2HE TYR 57 -4.206 8.163 -4.705 449 HH TYR 57 HH TYR 57 -1.104 7.101 -4.425 450 H TYR 58 H TYR 58 -9.513 5.219 -2.233 451 HA TYR 58 HA TYR 58 -10.400 4.311 0.480 452 HB2 TYR 58 2HB TYR 58 -12.156 5.178 -1.827 453 HB3 TYR 58 1HB TYR 58 -12.628 4.940 -0.146 454 HD1 TYR 58 1HD TYR 58 -12.634 6.759 1.323 455 HD2 TYR 58 2HD TYR 58 -10.238 6.942 -2.243 456 HE1 TYR 58 1HE TYR 58 -12.024 9.105 1.845 457 HE2 TYR 58 2HE TYR 58 -9.630 9.278 -1.718 458 HH TYR 58 HH TYR 58 -11.033 10.958 1.089 459 H GLU 59 H GLU 59 -11.370 2.272 0.638 460 HA GLU 59 HA GLU 59 -11.532 0.653 -1.874 461 HB2 GLU 59 2HB GLU 59 -10.541 -1.237 -0.758 462 HB3 GLU 59 1HB GLU 59 -9.468 0.137 -0.509 463 HG2 GLU 59 2HG GLU 59 -10.608 0.535 1.701 464 HG3 GLU 59 1HG GLU 59 -11.479 -0.979 1.459 465 H TRP 60 H TRP 60 -13.253 -0.782 -1.966 466 HA TRP 60 HA TRP 60 -15.243 -0.542 0.255 467 HB2 TRP 60 2HB TRP 60 -15.436 -0.725 -2.704 468 HB3 TRP 60 1HB TRP 60 -16.646 -1.631 -1.795 469 HD1 TRP 60 HD TRP 60 -17.646 0.027 0.400 470 HE1 TRP 60 1HE TRP 60 -18.614 2.405 0.090 471 HE3 TRP 60 3HE TRP 60 -15.548 1.268 -4.078 472 HZ2 TRP 60 2HZ TRP 60 -18.486 4.556 -1.817 473 HZ3 TRP 60 3HZ TRP 60 -15.965 3.465 -5.117 474 HH2 TRP 60 HH TRP 60 -17.428 5.107 -4.002 475 H ASP 61 H ASP 61 -15.702 -2.386 1.380 476 HA ASP 61 HA ASP 61 -14.763 -4.987 0.196 477 HB2 ASP 61 2HB ASP 61 -15.072 -4.221 3.118 478 HB3 ASP 61 1HB ASP 61 -14.553 -5.797 2.523 479 H ILE 62 H ILE 62 -16.303 -6.681 0.170 480 HA ILE 62 HA ILE 62 -19.031 -6.003 0.045 481 HB ILE 62 HB ILE 62 -19.499 -8.344 -0.081 482 HG12 ILE 62 2HG1 ILE 62 -18.286 -9.067 1.953 483 HG13 ILE 62 1HG1 ILE 62 -17.907 -10.082 0.577 484 HG21 ILE 62 1HG2 ILE 62 -17.837 -9.100 -1.707 485 HG22 ILE 62 2HG2 ILE 62 -16.726 -7.846 -1.161 486 HG23 ILE 62 3HG2 ILE 62 -18.234 -7.401 -1.961 487 HD11 ILE 62 1HD1 ILE 62 -16.186 -7.931 1.822 488 HD12 ILE 62 2HD1 ILE 62 -15.851 -8.590 0.225 489 HD13 ILE 62 3HD1 ILE 62 -15.822 -9.641 1.636 490 H ASP 63 H ASP 63 -17.072 -6.814 2.812 491 HA ASP 63 HA ASP 63 -19.516 -6.877 4.520 492 HB2 ASP 63 2HB ASP 63 -16.653 -7.711 5.080 493 HB3 ASP 63 1HB ASP 63 -17.941 -7.718 6.284 494 H GLY 64 H GLY 64 -16.757 -5.013 3.628 495 HA2 GLY 64 2HA GLY 64 -17.247 -3.159 5.909 496 HA3 GLY 64 1HA GLY 64 -15.711 -3.283 5.060 497 H THR 65 H THR 65 -18.077 -1.224 5.454 498 HA THR 65 HA THR 65 -19.026 -0.472 2.890 499 HB THR 65 HB THR 65 -18.333 1.537 5.009 500 HG1 THR 65 1HG THR 65 -19.941 -0.691 5.230 501 HG21 THR 65 1HG2 THR 65 -21.015 1.370 3.794 502 HG22 THR 65 2HG2 THR 65 -19.709 1.697 2.656 503 HG23 THR 65 3HG2 THR 65 -19.971 2.772 4.029 504 H GLU 66 H GLU 66 -17.991 2.334 3.061 505 HA GLU 66 HA GLU 66 -15.533 1.883 1.477 506 HB2 GLU 66 2HB GLU 66 -17.504 3.586 0.984 507 HB3 GLU 66 1HB GLU 66 -16.616 4.601 2.108 508 HG2 GLU 66 2HG GLU 66 -14.563 4.215 0.751 509 HG3 GLU 66 1HG GLU 66 -15.556 3.374 -0.434 510 H ILE 67 H ILE 67 -13.525 2.200 2.358 511 HA ILE 67 HA ILE 67 -13.291 3.921 4.775 512 HB ILE 67 HB ILE 67 -12.061 1.160 4.585 513 HG12 ILE 67 2HG1 ILE 67 -14.429 2.097 6.222 514 HG13 ILE 67 1HG1 ILE 67 -14.536 1.066 4.795 515 HG21 ILE 67 1HG2 ILE 67 -11.525 3.432 6.213 516 HG22 ILE 67 2HG2 ILE 67 -10.845 1.813 6.363 517 HG23 ILE 67 3HG2 ILE 67 -12.320 2.236 7.230 518 HD11 ILE 67 1HD1 ILE 67 -12.580 -0.003 6.623 519 HD12 ILE 67 2HD1 ILE 67 -14.054 -0.756 6.016 520 HD13 ILE 67 3HD1 ILE 67 -14.111 0.247 7.464 521 H VAL 68 H VAL 68 -11.143 4.772 5.090 522 HA VAL 68 HA VAL 68 -9.516 4.763 2.600 523 HB VAL 68 HB VAL 68 -9.177 6.442 5.108 524 HG11 VAL 68 1HG1 VAL 68 -8.122 6.746 2.280 525 HG12 VAL 68 2HG1 VAL 68 -7.173 6.270 3.688 526 HG13 VAL 68 3HG1 VAL 68 -7.860 7.891 3.596 527 HG21 VAL 68 1HG2 VAL 68 -11.197 6.556 3.079 528 HG22 VAL 68 2HG2 VAL 68 -10.140 7.954 2.893 529 HG23 VAL 68 3HG2 VAL 68 -10.947 7.657 4.432 530 H TRP 69 H TRP 69 -7.737 3.455 2.530 531 HA TRP 69 HA TRP 69 -6.719 2.392 5.140 532 HB2 TRP 69 2HB TRP 69 -6.229 0.378 4.102 533 HB3 TRP 69 1HB TRP 69 -7.654 0.876 3.192 534 HD1 TRP 69 HD TRP 69 -3.842 0.670 2.921 535 HE1 TRP 69 1HE TRP 69 -3.182 0.842 0.439 536 HE3 TRP 69 3HE TRP 69 -8.398 1.695 0.855 537 HZ2 TRP 69 2HZ TRP 69 -4.413 1.321 -2.087 538 HZ3 TRP 69 3HZ TRP 69 -8.616 1.988 -1.595 539 HH2 TRP 69 HH TRP 69 -6.642 1.804 -3.059 540 H GLY 70 H GLY 70 -5.922 4.746 2.981 541 HA2 GLY 70 2HA GLY 70 -3.116 4.639 3.825 542 HA3 GLY 70 1HA GLY 70 -3.355 4.430 2.094 543 H ARG 71 H ARG 71 -1.893 6.512 2.607 544 HA ARG 71 HA ARG 71 -3.596 8.821 1.946 545 HB2 ARG 71 2HB ARG 71 -2.994 8.539 4.577 546 HB3 ARG 71 1HB ARG 71 -1.559 9.397 4.029 547 HG2 ARG 71 2HG ARG 71 -3.068 11.089 2.939 548 HG3 ARG 71 1HG ARG 71 -4.429 10.288 3.721 549 HD2 ARG 71 2HD ARG 71 -3.343 10.667 5.931 550 HD3 ARG 71 1HD ARG 71 -2.058 11.558 5.116 551 HE ARG 71 HE ARG 71 -4.442 12.778 4.298 552 HH11 ARG 71 1HH1 ARG 71 -5.253 14.588 5.381 553 HH12 ARG 71 2HH1 ARG 71 -4.793 14.875 7.026 554 HH21 ARG 71 1HH2 ARG 71 -2.780 12.059 7.232 555 HH22 ARG 71 2HH2 ARG 71 -3.394 13.442 8.074 556 H ILE 72 H ILE 72 -1.840 10.777 1.696 557 HA ILE 72 HA ILE 72 0.625 9.651 0.476 558 HB ILE 72 HB ILE 72 -1.352 11.534 -0.819 559 HG12 ILE 72 2HG1 ILE 72 -0.913 9.815 -2.712 560 HG13 ILE 72 1HG1 ILE 72 -0.212 8.809 -1.446 561 HG21 ILE 72 1HG2 ILE 72 1.531 10.978 -1.523 562 HG22 ILE 72 2HG2 ILE 72 0.783 12.544 -1.203 563 HG23 ILE 72 3HG2 ILE 72 0.372 11.653 -2.668 564 HD11 ILE 72 1HD1 ILE 72 -2.990 9.227 -2.076 565 HD12 ILE 72 2HD1 ILE 72 -2.681 9.777 -0.435 566 HD13 ILE 72 3HD1 ILE 72 -2.283 8.130 -0.893 567 H LEU 73 H LEU 73 2.286 11.474 0.112 568 HA LEU 73 HA LEU 73 1.955 13.558 2.233 569 HB2 LEU 73 2HB LEU 73 4.391 12.036 1.311 570 HB3 LEU 73 1HB LEU 73 4.511 13.515 2.260 571 HG LEU 73 HG LEU 73 2.706 11.299 3.188 572 HD11 LEU 73 1HD1 LEU 73 4.953 10.314 2.695 573 HD12 LEU 73 2HD1 LEU 73 4.544 10.284 4.411 574 HD13 LEU 73 3HD1 LEU 73 5.670 11.493 3.791 575 HD21 LEU 73 1HD2 LEU 73 3.227 13.823 4.116 576 HD22 LEU 73 2HD2 LEU 73 4.394 12.876 5.038 577 HD23 LEU 73 3HD2 LEU 73 2.675 12.494 5.133 578 H GLU 74 H GLU 74 3.450 12.884 -0.920 579 HA GLU 74 HA GLU 74 2.707 15.417 -2.037 580 HB2 GLU 74 2HB GLU 74 4.839 16.548 -2.106 581 HB3 GLU 74 1HB GLU 74 4.523 16.135 -0.419 582 HG2 GLU 74 2HG GLU 74 5.900 14.054 -0.741 583 HG3 GLU 74 1HG GLU 74 6.328 14.645 -2.347 584 H TRP 75 H TRP 75 3.568 15.617 -4.280 585 HA TRP 75 HA TRP 75 4.605 13.008 -5.297 586 HB2 TRP 75 2HB TRP 75 3.269 13.398 -7.336 587 HB3 TRP 75 1HB TRP 75 2.248 13.321 -5.898 588 HD1 TRP 75 HD TRP 75 1.212 15.600 -4.989 589 HE1 TRP 75 1HE TRP 75 0.785 17.867 -6.139 590 HE3 TRP 75 3HE TRP 75 4.158 15.059 -9.125 591 HZ2 TRP 75 2HZ TRP 75 1.588 19.266 -8.501 592 HZ3 TRP 75 3HZ TRP 75 4.308 16.873 -10.807 593 HH2 TRP 75 HH TRP 75 3.027 18.974 -10.501 594 H ASP 76 H ASP 76 6.432 13.112 -6.507 595 HA ASP 76 HA ASP 76 7.439 15.805 -7.239 596 HB2 ASP 76 2HB ASP 76 8.781 13.883 -5.975 597 HB3 ASP 76 1HB ASP 76 9.079 13.343 -7.627 598 HA PRO 77 HA PRO 77 5.914 15.056 -11.378 599 HB2 PRO 77 2HB PRO 77 8.030 16.670 -12.525 600 HB3 PRO 77 1HB PRO 77 6.302 17.009 -12.408 601 HG2 PRO 77 2HG PRO 77 8.407 18.125 -10.870 602 HG3 PRO 77 1HG PRO 77 6.675 18.441 -10.752 603 HD2 PRO 77 2HD PRO 77 8.308 17.058 -8.877 604 HD3 PRO 77 1HD PRO 77 6.546 17.263 -8.820 605 HA PRO 78 HA PRO 78 10.234 13.542 -13.284 606 HB2 PRO 78 2HB PRO 78 11.360 12.741 -10.626 607 HB3 PRO 78 1HB PRO 78 12.198 13.303 -12.084 608 HG2 PRO 78 2HG PRO 78 11.826 14.893 -9.974 609 HG3 PRO 78 1HG PRO 78 11.795 15.508 -11.634 610 HD2 PRO 78 2HD PRO 78 9.543 15.121 -9.738 611 HD3 PRO 78 1HD PRO 78 9.691 16.250 -11.097 612 H HIS 79 H HIS 79 10.013 11.717 -10.238 613 HA HIS 79 HA HIS 79 8.009 9.875 -11.019 614 HB2 HIS 79 2HB HIS 79 9.612 7.937 -11.450 615 HB3 HIS 79 1HB HIS 79 9.534 9.138 -12.738 616 HD1 HIS 79 1HD HIS 79 11.488 9.282 -9.464 617 HD2 HIS 79 2HD HIS 79 12.159 9.388 -13.580 618 HE1 HIS 79 1HE HIS 79 13.959 9.749 -9.777 619 HE2 HIS 79 2HE HIS 79 14.379 9.808 -12.278 620 H ARG 80 H ARG 80 8.883 11.405 -8.752 621 HA ARG 80 HA ARG 80 9.459 9.176 -6.843 622 HB2 ARG 80 2HB ARG 80 11.541 10.396 -7.127 623 HB3 ARG 80 1HB ARG 80 10.715 11.934 -6.872 624 HG2 ARG 80 2HG ARG 80 10.213 11.359 -4.583 625 HG3 ARG 80 1HG ARG 80 10.812 9.715 -4.816 626 HD2 ARG 80 2HD ARG 80 12.571 10.918 -3.730 627 HD3 ARG 80 1HD ARG 80 13.059 10.744 -5.414 628 HE ARG 80 HE ARG 80 12.816 13.088 -5.683 629 HH11 ARG 80 1HH1 ARG 80 12.474 15.159 -4.844 630 HH12 ARG 80 2HH1 ARG 80 11.760 15.338 -3.277 631 HH21 ARG 80 1HH2 ARG 80 11.446 11.926 -2.740 632 HH22 ARG 80 2HH2 ARG 80 11.177 13.507 -2.085 633 H LEU 81 H LEU 81 8.343 9.305 -4.889 634 HA LEU 81 HA LEU 81 7.013 11.747 -4.091 635 HB2 LEU 81 2HB LEU 81 4.712 11.001 -4.289 636 HB3 LEU 81 1HB LEU 81 5.468 10.980 -5.871 637 HG LEU 81 HG LEU 81 4.219 8.981 -5.752 638 HD11 LEU 81 1HD1 LEU 81 6.944 8.059 -4.870 639 HD12 LEU 81 2HD1 LEU 81 6.650 8.780 -6.452 640 HD13 LEU 81 3HD1 LEU 81 5.836 7.287 -5.999 641 HD21 LEU 81 1HD2 LEU 81 4.520 9.203 -2.971 642 HD22 LEU 81 2HD2 LEU 81 5.342 7.702 -3.394 643 HD23 LEU 81 3HD2 LEU 81 3.659 7.940 -3.839 644 H ALA 82 H ALA 82 6.285 11.677 -1.978 645 HA ALA 82 HA ALA 82 6.982 9.185 -0.478 646 HB1 ALA 82 1HB ALA 82 8.191 11.352 0.116 647 HB2 ALA 82 2HB ALA 82 7.333 10.593 1.457 648 HB3 ALA 82 3HB ALA 82 6.630 11.988 0.637 649 H MET 83 H MET 83 5.334 8.462 1.114 650 HA MET 83 HA MET 83 2.775 9.924 0.945 651 HB2 MET 83 2HB MET 83 1.749 7.479 0.600 652 HB3 MET 83 1HB MET 83 2.182 8.516 -0.759 653 HG2 MET 83 2HG MET 83 4.404 7.432 -0.874 654 HG3 MET 83 1HG MET 83 3.955 6.384 0.473 655 HE1 MET 83 1HE MET 83 1.944 5.157 0.614 656 HE2 MET 83 2HE MET 83 1.312 4.120 -0.663 657 HE3 MET 83 3HE MET 83 0.653 5.739 -0.446 658 H THR 84 H THR 84 1.444 9.700 2.690 659 HA THR 84 HA THR 84 2.500 8.037 4.937 660 HB THR 84 HB THR 84 0.835 10.544 4.794 661 HG1 THR 84 1HG THR 84 2.792 9.829 6.682 662 HG21 THR 84 1HG2 THR 84 0.407 10.153 7.290 663 HG22 THR 84 2HG2 THR 84 0.810 8.464 6.986 664 HG23 THR 84 3HG2 THR 84 -0.569 9.202 6.171 665 H TRP 85 H TRP 85 0.743 6.825 6.191 666 HA TRP 85 HA TRP 85 -1.445 6.068 4.303 667 HB2 TRP 85 2HB TRP 85 -1.328 3.845 5.025 668 HB3 TRP 85 1HB TRP 85 0.359 4.342 4.928 669 HD1 TRP 85 HD TRP 85 0.423 5.981 7.701 670 HE1 TRP 85 1HE TRP 85 0.432 4.645 9.908 671 HE3 TRP 85 3HE TRP 85 -1.466 1.542 6.043 672 HZ2 TRP 85 2HZ TRP 85 -0.267 2.025 10.840 673 HZ3 TRP 85 3HZ TRP 85 -1.779 -0.356 7.601 674 HH2 TRP 85 HH TRP 85 -1.183 -0.122 9.992 675 H ARG 86 H ARG 86 -3.554 6.150 4.994 676 HA ARG 86 HA ARG 86 -3.967 7.090 7.810 677 HB2 ARG 86 2HB ARG 86 -4.590 8.771 6.163 678 HB3 ARG 86 1HB ARG 86 -5.588 7.604 5.300 679 HG2 ARG 86 2HG ARG 86 -7.058 7.399 7.273 680 HG3 ARG 86 1HG ARG 86 -6.050 8.556 8.144 681 HD2 ARG 86 2HD ARG 86 -6.554 10.282 6.477 682 HD3 ARG 86 1HD ARG 86 -7.514 9.128 5.551 683 HE ARG 86 HE ARG 86 -8.384 9.502 8.334 684 HH11 ARG 86 1HH1 ARG 86 -10.481 10.334 8.537 685 HH12 ARG 86 2HH1 ARG 86 -11.266 11.012 7.151 686 HH21 ARG 86 1HH2 ARG 86 -8.604 10.414 5.016 687 HH22 ARG 86 2HH2 ARG 86 -10.205 11.057 5.159 688 H ILE 87 H ILE 87 -4.576 5.325 8.980 689 HA ILE 87 HA ILE 87 -7.065 3.961 8.180 690 HB ILE 87 HB ILE 87 -5.100 2.599 7.282 691 HG12 ILE 87 2HG1 ILE 87 -6.708 1.179 9.418 692 HG13 ILE 87 1HG1 ILE 87 -7.433 1.733 7.909 693 HG21 ILE 87 1HG2 ILE 87 -4.649 1.535 10.009 694 HG22 ILE 87 2HG2 ILE 87 -3.972 3.134 9.703 695 HG23 ILE 87 3HG2 ILE 87 -3.504 1.771 8.689 696 HD11 ILE 87 1HD1 ILE 87 -6.607 -0.686 7.926 697 HD12 ILE 87 2HD1 ILE 87 -4.973 -0.024 7.972 698 HD13 ILE 87 3HD1 ILE 87 -6.024 0.319 6.598 699 H ASP 88 H ASP 88 -8.054 2.842 10.045 700 HA ASP 88 HA ASP 88 -7.023 3.931 12.631 701 HB2 ASP 88 2HB ASP 88 -9.295 4.677 11.970 702 HB3 ASP 88 1HB ASP 88 -9.817 2.997 11.990 703 H GLY 89 H GLY 89 -7.778 2.489 14.531 704 HA2 GLY 89 2HA GLY 89 -6.410 0.001 14.356 705 HA3 GLY 89 1HA GLY 89 -7.481 0.467 15.676 706 H HIS 90 H HIS 90 -9.891 0.738 14.094 707 HA HIS 90 HA HIS 90 -10.376 -2.160 13.575 708 HB2 HIS 90 2HB HIS 90 -11.758 -0.357 15.165 709 HB3 HIS 90 1HB HIS 90 -12.749 -0.461 13.713 710 HD1 HIS 90 1HD HIS 90 -13.216 -1.844 16.669 711 HD2 HIS 90 2HD HIS 90 -12.121 -3.706 13.099 712 HE1 HIS 90 1HE HIS 90 -13.883 -4.280 16.897 713 HE2 HIS 90 2HE HIS 90 -13.223 -5.422 14.730 714 H TRP 91 H TRP 91 -9.149 -0.648 11.501 715 HA TRP 91 HA TRP 91 -9.424 -0.179 9.217 716 HB2 TRP 91 2HB TRP 91 -11.628 -2.161 9.773 717 HB3 TRP 91 1HB TRP 91 -11.423 -1.459 8.172 718 HD1 TRP 91 HD TRP 91 -9.142 -1.969 6.885 719 HE1 TRP 91 1HE TRP 91 -7.479 -3.914 7.105 720 HE3 TRP 91 3HE TRP 91 -10.538 -3.815 11.426 721 HZ2 TRP 91 2HZ TRP 91 -6.828 -6.002 8.985 722 HZ3 TRP 91 3HZ TRP 91 -9.395 -5.775 12.402 723 HH2 TRP 91 HH TRP 91 -7.539 -6.871 11.187 724 H GLN 92 H GLN 92 -10.366 1.845 10.850 725 HA GLN 92 HA GLN 92 -12.833 2.727 9.400 726 HB2 GLN 92 2HB GLN 92 -12.011 3.490 12.222 727 HB3 GLN 92 1HB GLN 92 -13.465 4.021 11.381 728 HG2 GLN 92 2HG GLN 92 -14.203 1.648 11.208 729 HG3 GLN 92 1HG GLN 92 -12.776 1.169 12.127 730 HE21 GLN 92 1HE2 GLN 92 -15.386 0.650 13.151 731 HE22 GLN 92 2HE2 GLN 92 -15.634 1.625 14.518 732 H SER 93 H SER 93 -12.919 5.089 9.050 733 HA SER 93 HA SER 93 -10.177 6.183 8.652 734 HB2 SER 93 2HB SER 93 -11.615 6.031 6.648 735 HB3 SER 93 1HB SER 93 -12.824 7.038 7.442 736 HG SER 93 HG SER 93 -11.503 8.319 6.146 737 H VAL 94 H VAL 94 -9.571 8.106 9.609 738 HA VAL 94 HA VAL 94 -11.625 9.571 11.208 739 HB VAL 94 HB VAL 94 -9.415 9.876 12.759 740 HG11 VAL 94 1HG1 VAL 94 -11.373 9.253 13.854 741 HG12 VAL 94 2HG1 VAL 94 -10.421 7.777 14.009 742 HG13 VAL 94 3HG1 VAL 94 -11.669 7.895 12.768 743 HG21 VAL 94 1HG2 VAL 94 -9.280 6.962 12.024 744 HG22 VAL 94 2HG2 VAL 94 -8.071 7.961 12.832 745 HG23 VAL 94 3HG2 VAL 94 -8.348 8.139 11.099 746 HA PRO 95 HA PRO 95 -10.111 13.295 9.435 747 HB2 PRO 95 2HB PRO 95 -9.574 14.761 11.797 748 HB3 PRO 95 1HB PRO 95 -11.090 14.750 10.881 749 HG2 PRO 95 2HG PRO 95 -10.365 13.302 13.349 750 HG3 PRO 95 1HG PRO 95 -11.946 13.869 12.789 751 HD2 PRO 95 2HD PRO 95 -11.249 11.243 12.730 752 HD3 PRO 95 1HD PRO 95 -12.332 11.964 11.517 753 H ASP 96 H ASP 96 -8.233 11.939 12.095 754 HA ASP 96 HA ASP 96 -5.762 12.354 10.577 755 HB2 ASP 96 2HB ASP 96 -6.251 14.481 12.011 756 HB3 ASP 96 1HB ASP 96 -5.802 13.447 13.368 757 H ASP 97 H ASP 97 -4.119 10.935 11.311 758 HA ASP 97 HA ASP 97 -5.068 8.912 13.279 759 HB2 ASP 97 2HB ASP 97 -3.074 8.779 11.014 760 HB3 ASP 97 1HB ASP 97 -3.252 7.500 12.213 761 H ASP 98 H ASP 98 -4.173 9.096 15.262 762 HA ASP 98 HA ASP 98 -1.823 10.697 15.779 763 HB2 ASP 98 2HB ASP 98 -3.320 8.698 17.486 764 HB3 ASP 98 1HB ASP 98 -2.020 9.728 18.080 765 H ARG 99 H ARG 99 -2.459 7.341 15.120 766 HA ARG 99 HA ARG 99 0.353 6.603 15.723 767 HB2 ARG 99 2HB ARG 99 -0.757 4.258 15.055 768 HB3 ARG 99 1HB ARG 99 -0.939 4.938 16.673 769 HG2 ARG 99 2HG ARG 99 -3.097 5.871 16.114 770 HG3 ARG 99 1HG ARG 99 -2.900 5.434 14.417 771 HD2 ARG 99 2HD ARG 99 -4.333 3.778 15.421 772 HD3 ARG 99 1HD ARG 99 -2.765 3.018 15.151 773 HE ARG 99 HE ARG 99 -2.947 4.177 17.802 774 HH11 ARG 99 1HH1 ARG 99 -3.079 2.715 19.521 775 HH12 ARG 99 2HH1 ARG 99 -3.504 1.066 19.207 776 HH21 ARG 99 1HH2 ARG 99 -3.818 1.522 15.784 777 HH22 ARG 99 2HH2 ARG 99 -3.923 0.390 17.091 778 H ALA 100 H ALA 100 -0.279 8.245 13.403 779 HA ALA 100 HA ALA 100 -0.158 6.423 11.094 780 HB1 ALA 100 1HB ALA 100 0.402 9.105 10.324 781 HB2 ALA 100 2HB ALA 100 -0.885 9.161 11.527 782 HB3 ALA 100 3HB ALA 100 -1.084 8.193 10.066 783 H SER 101 H SER 101 1.631 6.266 9.688 784 HA SER 101 HA SER 101 4.218 7.298 10.786 785 HB2 SER 101 2HB SER 101 5.286 5.259 9.998 786 HB3 SER 101 1HB SER 101 3.925 4.817 11.025 787 HG SER 101 HG SER 101 4.190 4.698 8.224 788 H GLU 102 H GLU 102 5.918 7.506 9.016 789 HA GLU 102 HA GLU 102 4.597 8.481 6.518 790 HB2 GLU 102 2HB GLU 102 7.281 9.224 7.720 791 HB3 GLU 102 1HB GLU 102 6.599 9.902 6.240 792 HG2 GLU 102 2HG GLU 102 4.645 10.719 7.547 793 HG3 GLU 102 1HG GLU 102 5.401 10.110 9.019 794 H ILE 103 H ILE 103 5.276 7.703 4.548 795 HA ILE 103 HA ILE 103 7.442 5.636 4.579 796 HB ILE 103 HB ILE 103 4.937 5.677 2.869 797 HG12 ILE 103 2HG1 ILE 103 5.689 3.832 5.155 798 HG13 ILE 103 1HG1 ILE 103 4.559 5.181 5.301 799 HG21 ILE 103 1HG2 ILE 103 7.409 4.431 2.430 800 HG22 ILE 103 2HG2 ILE 103 5.880 4.030 1.649 801 HG23 ILE 103 3HG2 ILE 103 6.383 3.163 3.100 802 HD11 ILE 103 1HD1 ILE 103 4.273 2.722 3.557 803 HD12 ILE 103 2HD1 ILE 103 3.236 4.141 3.403 804 HD13 ILE 103 3HD1 ILE 103 3.240 3.209 4.901 805 H GLU 104 H GLU 104 8.992 5.845 2.997 806 HA GLU 104 HA GLU 104 8.634 8.114 1.070 807 HB2 GLU 104 2HB GLU 104 11.190 6.889 2.161 808 HB3 GLU 104 1HB GLU 104 11.103 8.232 1.019 809 HG2 GLU 104 2HG GLU 104 9.820 9.543 2.701 810 HG3 GLU 104 1HG GLU 104 10.007 8.216 3.848 811 H VAL 105 H VAL 105 8.469 7.510 -1.048 812 HA VAL 105 HA VAL 105 9.710 4.927 -1.860 813 HB VAL 105 HB VAL 105 7.020 5.857 -2.864 814 HG11 VAL 105 1HG1 VAL 105 6.840 3.563 -3.652 815 HG12 VAL 105 2HG1 VAL 105 8.347 3.131 -2.847 816 HG13 VAL 105 3HG1 VAL 105 8.370 4.232 -4.222 817 HG21 VAL 105 1HG2 VAL 105 7.775 4.400 -0.380 818 HG22 VAL 105 2HG2 VAL 105 6.407 3.759 -1.287 819 HG23 VAL 105 3HG2 VAL 105 6.375 5.421 -0.702 820 H ASP 106 H ASP 106 10.826 5.044 -3.774 821 HA ASP 106 HA ASP 106 10.503 7.548 -5.388 822 HB2 ASP 106 2HB ASP 106 13.010 5.907 -4.902 823 HB3 ASP 106 1HB ASP 106 12.906 7.319 -5.958 824 H PHE 107 H PHE 107 10.090 7.242 -7.567 825 HA PHE 107 HA PHE 107 10.298 4.435 -8.579 826 HB2 PHE 107 2HB PHE 107 8.341 6.637 -9.293 827 HB3 PHE 107 1HB PHE 107 8.481 5.118 -10.165 828 HD1 PHE 107 1HD PHE 107 8.028 6.434 -6.688 829 HD2 PHE 107 2HD PHE 107 7.212 3.278 -9.484 830 HE1 PHE 107 1HE PHE 107 6.537 5.350 -5.032 831 HE2 PHE 107 2HE PHE 107 5.725 2.191 -7.824 832 HZ PHE 107 HZ PHE 107 5.387 3.227 -5.597 833 H VAL 108 H VAL 108 11.355 4.127 -10.524 834 HA VAL 108 HA VAL 108 12.352 6.556 -11.938 835 HB VAL 108 HB VAL 108 14.110 4.166 -11.873 836 HG11 VAL 108 1HG1 VAL 108 14.549 7.158 -11.646 837 HG12 VAL 108 2HG1 VAL 108 14.740 6.186 -13.105 838 HG13 VAL 108 3HG1 VAL 108 15.834 5.954 -11.741 839 HG21 VAL 108 1HG2 VAL 108 13.634 4.147 -9.556 840 HG22 VAL 108 2HG2 VAL 108 13.507 5.905 -9.482 841 HG23 VAL 108 3HG2 VAL 108 15.085 5.142 -9.677 842 HA PRO 109 HA PRO 109 10.530 4.078 -15.243 843 HB2 PRO 109 2HB PRO 109 11.003 5.770 -17.318 844 HB3 PRO 109 1HB PRO 109 9.738 6.073 -16.109 845 HG2 PRO 109 2HG PRO 109 12.456 7.253 -16.337 846 HG3 PRO 109 1HG PRO 109 10.924 8.023 -15.898 847 HD2 PRO 109 2HD PRO 109 12.818 7.260 -14.054 848 HD3 PRO 109 1HD PRO 109 11.082 7.382 -13.685 849 H ASN 110 H ASN 110 11.598 2.360 -15.987 850 HA ASN 110 HA ASN 110 14.245 2.731 -17.291 851 HB2 ASN 110 2HB ASN 110 14.213 1.456 -15.078 852 HB3 ASN 110 1HB ASN 110 13.307 0.206 -15.936 853 HD21 ASN 110 1HD2 ASN 110 15.481 -0.979 -15.238 854 HD22 ASN 110 2HD2 ASN 110 16.729 -0.944 -16.388 855 H GLY 111 H GLY 111 14.042 2.418 -19.460 856 HA2 GLY 111 2HA GLY 111 13.430 1.378 -21.478 857 HA3 GLY 111 1HA GLY 111 12.881 0.004 -20.518 858 H SER 112 H SER 112 11.247 0.366 -22.492 859 HA SER 112 HA SER 112 9.242 2.412 -22.172 860 HB2 SER 112 2HB SER 112 7.982 1.171 -23.824 861 HB3 SER 112 1HB SER 112 9.679 1.125 -24.290 862 HG SER 112 HG SER 112 9.778 -0.933 -23.223 863 H GLY 113 H GLY 113 9.744 -0.723 -20.705 864 HA2 GLY 113 2HA GLY 113 7.330 -0.239 -19.043 865 HA3 GLY 113 1HA GLY 113 7.447 -1.785 -19.891 866 H GLY 114 H GLY 114 9.933 0.139 -18.164 867 HA2 GLY 114 2HA GLY 114 10.221 -2.123 -16.255 868 HA3 GLY 114 1HA GLY 114 11.647 -1.499 -17.079 869 H THR 115 H THR 115 10.206 -1.348 -14.174 870 HA THR 115 HA THR 115 11.222 1.424 -13.741 871 HB THR 115 HB THR 115 8.532 0.357 -12.864 872 HG1 THR 115 1HG THR 115 7.883 1.608 -14.395 873 HG21 THR 115 1HG2 THR 115 8.365 2.609 -11.690 874 HG22 THR 115 2HG2 THR 115 10.113 2.742 -11.887 875 HG23 THR 115 3HG2 THR 115 9.431 1.432 -10.925 876 H ARG 116 H ARG 116 12.305 1.715 -11.839 877 HA ARG 116 HA ARG 116 12.562 -0.678 -10.070 878 HB2 ARG 116 2HB ARG 116 14.668 0.202 -11.098 879 HB3 ARG 116 1HB ARG 116 14.375 1.750 -10.298 880 HG2 ARG 116 2HG ARG 116 14.386 0.575 -8.098 881 HG3 ARG 116 1HG ARG 116 14.789 -0.926 -8.931 882 HD2 ARG 116 2HD ARG 116 16.451 1.611 -8.995 883 HD3 ARG 116 1HD ARG 116 16.815 0.178 -8.034 884 HE ARG 116 HE ARG 116 16.519 -0.385 -10.887 885 HH11 ARG 116 1HH1 ARG 116 18.407 -1.053 -11.934 886 HH12 ARG 116 2HH1 ARG 116 19.939 -0.832 -11.155 887 HH21 ARG 116 1HH2 ARG 116 18.583 0.627 -8.316 888 HH22 ARG 116 2HH2 ARG 116 20.038 0.120 -9.107 889 H VAL 117 H VAL 117 11.656 -0.509 -8.046 890 HA VAL 117 HA VAL 117 10.994 2.246 -7.076 891 HB VAL 117 HB VAL 117 9.355 -0.268 -6.700 892 HG11 VAL 117 1HG1 VAL 117 9.193 1.356 -4.841 893 HG12 VAL 117 2HG1 VAL 117 7.688 1.283 -5.759 894 HG13 VAL 117 3HG1 VAL 117 8.801 2.631 -5.997 895 HG21 VAL 117 1HG2 VAL 117 9.065 0.342 -8.961 896 HG22 VAL 117 2HG2 VAL 117 9.157 2.066 -8.599 897 HG23 VAL 117 3HG2 VAL 117 7.727 1.142 -8.139 898 H GLU 118 H GLU 118 11.476 2.704 -4.994 899 HA GLU 118 HA GLU 118 12.544 0.480 -3.293 900 HB2 GLU 118 2HB GLU 118 13.355 3.413 -3.264 901 HB3 GLU 118 1HB GLU 118 14.047 2.135 -2.267 902 HG2 GLU 118 2HG GLU 118 14.832 0.981 -4.311 903 HG3 GLU 118 1HG GLU 118 14.175 2.288 -5.293 904 H LEU 119 H LEU 119 10.823 0.092 -1.902 905 HA LEU 119 HA LEU 119 9.416 2.471 -0.778 906 HB2 LEU 119 2HB LEU 119 8.079 0.734 -2.041 907 HB3 LEU 119 1HB LEU 119 8.479 -0.400 -0.762 908 HG LEU 119 HG LEU 119 7.356 2.213 0.109 909 HD11 LEU 119 1HD1 LEU 119 5.063 1.537 -0.378 910 HD12 LEU 119 2HD1 LEU 119 5.632 0.045 -1.127 911 HD13 LEU 119 3HD1 LEU 119 5.977 1.599 -1.884 912 HD21 LEU 119 1HD2 LEU 119 6.944 -0.693 0.884 913 HD22 LEU 119 2HD2 LEU 119 6.143 0.665 1.670 914 HD23 LEU 119 3HD2 LEU 119 7.894 0.504 1.762 915 H ALA 120 H ALA 120 9.720 2.932 1.337 916 HA ALA 120 HA ALA 120 10.658 0.746 3.144 917 HB1 ALA 120 1HB ALA 120 11.672 3.443 3.765 918 HB2 ALA 120 2HB ALA 120 12.307 2.760 2.270 919 HB3 ALA 120 3HB ALA 120 12.511 1.893 3.792 920 H HIS 121 H HIS 121 9.651 0.738 5.130 921 HA HIS 121 HA HIS 121 7.816 3.027 5.744 922 HB2 HIS 121 2HB HIS 121 6.142 1.561 6.399 923 HB3 HIS 121 1HB HIS 121 6.898 0.595 5.133 924 HD1 HIS 121 1HD HIS 121 5.685 0.136 8.383 925 HD2 HIS 121 2HD HIS 121 9.271 -0.927 6.544 926 HE1 HIS 121 1HE HIS 121 6.694 -1.711 9.802 927 HE2 HIS 121 2HE HIS 121 8.874 -2.373 8.680 928 H VAL 122 H VAL 122 8.059 3.904 7.810 929 HA VAL 122 HA VAL 122 9.797 2.390 9.704 930 HB VAL 122 HB VAL 122 10.918 4.537 10.291 931 HG11 VAL 122 1HG1 VAL 122 12.500 3.899 8.824 932 HG12 VAL 122 2HG1 VAL 122 11.552 4.523 7.473 933 HG13 VAL 122 3HG1 VAL 122 11.300 2.873 8.041 934 HG21 VAL 122 1HG2 VAL 122 8.858 5.533 8.487 935 HG22 VAL 122 2HG2 VAL 122 10.464 6.054 7.975 936 HG23 VAL 122 3HG2 VAL 122 9.893 6.430 9.600 937 H LYS 123 H LYS 123 9.509 2.853 11.897 938 HA LYS 123 HA LYS 123 8.254 3.301 13.813 939 HB2 LYS 123 2HB LYS 123 7.195 5.712 12.342 940 HB3 LYS 123 1HB LYS 123 7.523 5.535 14.067 941 HG2 LYS 123 2HG LYS 123 9.541 5.700 11.817 942 HG3 LYS 123 1HG LYS 123 9.332 6.826 13.159 943 HD2 LYS 123 2HD LYS 123 9.889 4.896 14.717 944 HD3 LYS 123 1HD LYS 123 10.354 3.977 13.284 945 HE2 LYS 123 2HE LYS 123 12.384 4.941 13.991 946 HE3 LYS 123 1HE LYS 123 11.840 6.023 12.709 947 HZ1 LYS 123 1HZ LYS 123 12.344 6.634 15.391 948 HZ2 LYS 123 2HZ LYS 123 10.681 6.851 15.117 949 HZ3 LYS 123 3HZ LYS 123 11.817 7.675 14.159 950 H LEU 124 H LEU 124 7.021 1.706 11.652 951 HA LEU 124 HA LEU 124 4.220 2.431 11.500 952 HB2 LEU 124 2HB LEU 124 5.575 0.879 9.949 953 HB3 LEU 124 1HB LEU 124 5.309 -0.349 11.181 954 HG LEU 124 HG LEU 124 2.847 0.125 11.035 955 HD11 LEU 124 1HD1 LEU 124 2.438 2.170 10.087 956 HD12 LEU 124 2HD1 LEU 124 2.432 1.227 8.598 957 HD13 LEU 124 3HD1 LEU 124 3.882 2.106 9.077 958 HD21 LEU 124 1HD2 LEU 124 3.077 -0.626 8.343 959 HD22 LEU 124 2HD2 LEU 124 3.001 -1.706 9.736 960 HD23 LEU 124 3HD2 LEU 124 4.564 -1.186 9.107 961 H HIS 125 H HIS 125 6.142 0.169 13.433 962 HA HIS 125 HA HIS 125 4.202 -1.130 14.938 963 HB2 HIS 125 2HB HIS 125 6.503 -1.667 15.318 964 HB3 HIS 125 1HB HIS 125 6.862 -0.016 15.818 965 HD1 HIS 125 1HD HIS 125 4.034 -2.323 16.932 966 HD2 HIS 125 2HD HIS 125 7.256 -0.226 18.552 967 HE1 HIS 125 1HE HIS 125 3.893 -2.619 19.446 968 HE2 HIS 125 2HE HIS 125 5.849 -1.347 20.441 969 H ARG 126 H ARG 126 4.732 2.200 14.771 970 HA ARG 126 HA ARG 126 4.117 3.178 17.299 971 HB2 ARG 126 2HB ARG 126 4.579 4.569 15.265 972 HB3 ARG 126 1HB ARG 126 2.945 4.217 14.715 973 HG2 ARG 126 2HG ARG 126 2.669 6.277 15.794 974 HG3 ARG 126 1HG ARG 126 2.223 5.133 17.056 975 HD2 ARG 126 2HD ARG 126 4.515 5.265 17.984 976 HD3 ARG 126 1HD ARG 126 4.955 6.412 16.720 977 HE ARG 126 HE ARG 126 2.641 7.312 18.210 978 HH11 ARG 126 1HH1 ARG 126 2.965 9.064 19.600 979 HH12 ARG 126 2HH1 ARG 126 4.576 9.500 20.063 980 HH21 ARG 126 1HH2 ARG 126 6.072 6.978 18.210 981 HH22 ARG 126 2HH2 ARG 126 6.336 8.319 19.276 982 H HIS 127 H HIS 127 1.917 1.621 14.987 983 HA HIS 127 HA HIS 127 -0.418 2.317 16.612 984 HB2 HIS 127 2HB HIS 127 -1.593 0.695 15.043 985 HB3 HIS 127 1HB HIS 127 -0.874 2.109 14.292 986 HD1 HIS 127 1HD HIS 127 1.996 0.270 14.975 987 HD2 HIS 127 2HD HIS 127 -1.099 -0.286 12.244 988 HE1 HIS 127 1HE HIS 127 2.917 -1.199 13.120 989 HE2 HIS 127 2HE HIS 127 1.039 -1.550 11.463 990 H GLY 128 H GLY 128 1.673 -0.506 16.228 991 HA2 GLY 128 2HA GLY 128 1.498 -2.655 17.250 992 HA3 GLY 128 1HA GLY 128 1.493 -1.635 18.690 993 H ASP 129 H ASP 129 0.099 -3.185 19.769 994 HA ASP 129 HA ASP 129 -1.984 -4.061 20.414 995 HB2 ASP 129 2HB ASP 129 -2.868 -1.509 19.036 996 HB3 ASP 129 1HB ASP 129 -3.908 -2.505 20.054 997 H GLY 130 H GLY 130 -1.121 -5.426 18.236 998 HA2 GLY 130 2HA GLY 130 -2.105 -6.928 16.677 999 HA3 GLY 130 1HA GLY 130 -3.642 -6.072 16.876 1000 H ALA 131 H ALA 131 -0.592 -4.519 16.141 1001 HA ALA 131 HA ALA 131 -1.587 -2.913 14.041 1002 HB1 ALA 131 1HB ALA 131 1.066 -3.703 15.091 1003 HB2 ALA 131 2HB ALA 131 0.429 -2.103 14.720 1004 HB3 ALA 131 3HB ALA 131 1.048 -3.131 13.425 1005 H TRP 132 H TRP 132 0.313 -5.955 13.826 1006 HA TRP 132 HA TRP 132 0.296 -6.110 10.994 1007 HB2 TRP 132 2HB TRP 132 1.694 -7.554 12.474 1008 HB3 TRP 132 1HB TRP 132 0.239 -8.448 12.924 1009 HD1 TRP 132 HD TRP 132 -0.955 -9.890 11.016 1010 HE1 TRP 132 1HE TRP 132 -0.045 -10.907 8.831 1011 HE3 TRP 132 3HE TRP 132 3.397 -7.229 10.530 1012 HZ2 TRP 132 2HZ TRP 132 2.216 -10.635 7.112 1013 HZ3 TRP 132 3HZ TRP 132 4.901 -7.640 8.610 1014 HH2 TRP 132 HH TRP 132 4.320 -9.337 6.901 1015 H ASN 133 H ASN 133 -2.154 -6.948 13.374 1016 HA ASN 133 HA ASN 133 -3.868 -8.538 11.772 1017 HB2 ASN 133 2HB ASN 133 -4.134 -7.854 14.249 1018 HB3 ASN 133 1HB ASN 133 -4.869 -6.375 13.633 1019 HD21 ASN 133 1HD2 ASN 133 -6.698 -7.668 15.022 1020 HD22 ASN 133 2HD2 ASN 133 -7.740 -8.609 14.069 1021 H ILE 134 H ILE 134 -3.539 -5.023 12.040 1022 HA ILE 134 HA ILE 134 -5.595 -4.292 10.212 1023 HB ILE 134 HB ILE 134 -2.939 -2.945 10.769 1024 HG12 ILE 134 2HG1 ILE 134 -5.673 -2.437 11.978 1025 HG13 ILE 134 1HG1 ILE 134 -4.398 -3.367 12.771 1026 HG21 ILE 134 1HG2 ILE 134 -4.090 -0.914 9.981 1027 HG22 ILE 134 2HG2 ILE 134 -5.522 -1.873 9.612 1028 HG23 ILE 134 3HG2 ILE 134 -4.027 -2.140 8.716 1029 HD11 ILE 134 1HD1 ILE 134 -3.980 -0.535 11.791 1030 HD12 ILE 134 2HD1 ILE 134 -2.951 -1.466 12.879 1031 HD13 ILE 134 3HD1 ILE 134 -4.531 -0.906 13.425 1032 H HIS 135 H HIS 135 -2.164 -5.061 9.810 1033 HA HIS 135 HA HIS 135 -2.052 -4.697 6.968 1034 HB2 HIS 135 2HB HIS 135 0.015 -4.790 8.218 1035 HB3 HIS 135 1HB HIS 135 -0.388 -6.388 8.854 1036 HD1 HIS 135 1HD HIS 135 -1.405 -6.105 5.406 1037 HD2 HIS 135 2HD HIS 135 2.121 -7.107 7.377 1038 HE1 HIS 135 1HE HIS 135 0.034 -7.273 3.695 1039 HE2 HIS 135 2HE HIS 135 2.205 -7.889 4.881 1040 H LYS 136 H LYS 136 -2.952 -7.420 9.032 1041 HA LYS 136 HA LYS 136 -2.937 -9.500 7.139 1042 HB2 LYS 136 2HB LYS 136 -3.511 -9.750 9.570 1043 HB3 LYS 136 1HB LYS 136 -5.077 -9.035 9.224 1044 HG2 LYS 136 2HG LYS 136 -5.529 -10.836 7.601 1045 HG3 LYS 136 1HG LYS 136 -3.982 -11.570 8.010 1046 HD2 LYS 136 2HD LYS 136 -4.734 -11.737 10.385 1047 HD3 LYS 136 1HD LYS 136 -6.312 -11.118 9.895 1048 HE2 LYS 136 2HE LYS 136 -6.905 -13.069 8.840 1049 HE3 LYS 136 1HE LYS 136 -5.249 -13.438 8.360 1050 HZ1 LYS 136 1HZ LYS 136 -6.392 -13.703 11.088 1051 HZ2 LYS 136 2HZ LYS 136 -4.763 -13.976 10.686 1052 HZ3 LYS 136 3HZ LYS 136 -5.978 -14.974 10.043 1053 H ALA 137 H ALA 137 -5.270 -6.889 7.626 1054 HA ALA 137 HA ALA 137 -7.219 -7.866 5.741 1055 HB1 ALA 137 1HB ALA 137 -8.034 -6.118 7.071 1056 HB2 ALA 137 2HB ALA 137 -7.676 -5.279 5.560 1057 HB3 ALA 137 3HB ALA 137 -6.543 -5.190 6.907 1058 H LEU 138 H LEU 138 -4.405 -5.703 5.461 1059 HA LEU 138 HA LEU 138 -4.722 -5.216 2.641 1060 HB2 LEU 138 2HB LEU 138 -2.171 -5.173 4.280 1061 HB3 LEU 138 1HB LEU 138 -2.421 -4.403 2.719 1062 HG LEU 138 HG LEU 138 -3.871 -3.734 5.294 1063 HD11 LEU 138 1HD1 LEU 138 -2.742 -1.448 4.635 1064 HD12 LEU 138 2HD1 LEU 138 -1.640 -2.478 3.721 1065 HD13 LEU 138 3HD1 LEU 138 -1.794 -2.682 5.467 1066 HD21 LEU 138 1HD2 LEU 138 -5.489 -3.283 3.684 1067 HD22 LEU 138 2HD2 LEU 138 -4.295 -2.970 2.424 1068 HD23 LEU 138 3HD2 LEU 138 -4.596 -1.762 3.674 1069 H ASP 139 H ASP 139 -3.344 -7.807 4.532 1070 HA ASP 139 HA ASP 139 -2.640 -9.939 3.907 1071 HB2 ASP 139 2HB ASP 139 -4.367 -9.081 1.778 1072 HB3 ASP 139 1HB ASP 139 -3.029 -10.008 1.109 1073 H GLY 140 H GLY 140 -0.477 -9.962 4.106 1074 HA2 GLY 140 2HA GLY 140 1.147 -9.058 1.766 1075 HA3 GLY 140 1HA GLY 140 1.687 -8.800 3.424 1076 HA PRO 141 HA PRO 141 1.628 -13.651 2.308 1077 HB2 PRO 141 2HB PRO 141 2.733 -13.188 -0.424 1078 HB3 PRO 141 1HB PRO 141 1.604 -14.434 0.140 1079 HG2 PRO 141 2HG PRO 141 0.770 -12.364 -1.300 1080 HG3 PRO 141 1HG PRO 141 -0.212 -13.037 0.012 1081 HD2 PRO 141 2HD PRO 141 1.367 -10.499 -0.044 1082 HD3 PRO 141 1HD PRO 141 -0.148 -10.869 0.809 1083 H SER 142 H SER 142 3.551 -14.880 2.603 1084 HA SER 142 HA SER 142 5.938 -13.277 3.130 1085 HB2 SER 142 2HB SER 142 6.204 -14.878 4.679 1086 HB3 SER 142 1HB SER 142 4.868 -15.796 3.992 1087 HG SER 142 HG SER 142 6.847 -16.955 3.935 1088 HA PRO 143 HA PRO 143 7.786 -15.964 -0.344 1089 HB2 PRO 143 2HB PRO 143 6.201 -17.648 -1.768 1090 HB3 PRO 143 1HB PRO 143 6.944 -18.109 -0.223 1091 HG2 PRO 143 2HG PRO 143 4.148 -17.335 -0.822 1092 HG3 PRO 143 1HG PRO 143 4.776 -18.489 0.365 1093 HD2 PRO 143 2HD PRO 143 3.925 -15.885 0.935 1094 HD3 PRO 143 1HD PRO 143 4.942 -16.890 1.990 1095 H GLY 144 H GLY 144 4.512 -15.883 -1.787 1096 HA2 GLY 144 2HA GLY 144 5.364 -14.647 -4.204 1097 HA3 GLY 144 1HA GLY 144 3.697 -14.663 -3.622 1098 H GLU 145 H GLU 145 4.324 -13.308 -1.124 1099 HA GLU 145 HA GLU 145 4.213 -11.083 -0.374 1100 HB2 GLU 145 2HB GLU 145 6.549 -10.861 -2.274 1101 HB3 GLU 145 1HB GLU 145 6.161 -9.727 -0.993 1102 HG2 GLU 145 2HG GLU 145 6.346 -11.667 0.631 1103 HG3 GLU 145 1HG GLU 145 7.034 -12.597 -0.704 1104 H THR 146 H THR 146 4.389 -8.673 -1.326 1105 HA THR 146 HA THR 146 2.187 -8.336 -3.120 1106 HB THR 146 HB THR 146 4.350 -6.296 -2.642 1107 HG1 THR 146 1HG THR 146 3.817 -6.245 -0.637 1108 HG21 THR 146 1HG2 THR 146 2.115 -6.158 -4.165 1109 HG22 THR 146 2HG2 THR 146 2.826 -4.763 -3.354 1110 HG23 THR 146 3HG2 THR 146 1.473 -5.619 -2.613 1111 H LEU 147 H LEU 147 5.675 -8.276 -3.592 1112 HA LEU 147 HA LEU 147 5.776 -7.258 -6.205 1113 HB2 LEU 147 2HB LEU 147 7.602 -9.322 -4.971 1114 HB3 LEU 147 1HB LEU 147 7.992 -8.231 -6.305 1115 HG LEU 147 HG LEU 147 6.974 -6.585 -4.267 1116 HD11 LEU 147 1HD1 LEU 147 7.314 -8.443 -2.688 1117 HD12 LEU 147 2HD1 LEU 147 8.435 -7.122 -2.359 1118 HD13 LEU 147 3HD1 LEU 147 8.997 -8.570 -3.197 1119 HD21 LEU 147 1HD2 LEU 147 9.828 -7.161 -5.103 1120 HD22 LEU 147 2HD2 LEU 147 9.306 -5.736 -4.206 1121 HD23 LEU 147 3HD2 LEU 147 8.746 -5.994 -5.858 1122 H ALA 148 H ALA 148 5.260 -10.644 -5.190 1123 HA ALA 148 HA ALA 148 5.514 -11.669 -7.877 1124 HB1 ALA 148 1HB ALA 148 4.641 -13.737 -7.017 1125 HB2 ALA 148 2HB ALA 148 3.973 -12.923 -5.605 1126 HB3 ALA 148 3HB ALA 148 5.725 -13.061 -5.803 1127 H ARG 149 H ARG 149 2.644 -10.874 -5.907 1128 HA ARG 149 HA ARG 149 0.843 -11.690 -8.001 1129 HB2 ARG 149 2HB ARG 149 -0.767 -10.181 -6.514 1130 HB3 ARG 149 1HB ARG 149 -0.249 -11.780 -5.993 1131 HG2 ARG 149 2HG ARG 149 1.107 -10.950 -4.344 1132 HG3 ARG 149 1HG ARG 149 1.571 -9.540 -5.296 1133 HD2 ARG 149 2HD ARG 149 -0.265 -8.304 -4.630 1134 HD3 ARG 149 1HD ARG 149 -1.262 -9.732 -4.352 1135 HE ARG 149 HE ARG 149 0.647 -9.972 -2.402 1136 HH11 ARG 149 1HH1 ARG 149 0.513 -8.990 -0.369 1137 HH12 ARG 149 2HH1 ARG 149 -0.416 -7.541 -0.182 1138 HH21 ARG 149 1HH2 ARG 149 -1.371 -7.407 -3.512 1139 HH22 ARG 149 2HH2 ARG 149 -1.483 -6.644 -1.961 1140 H PHE 150 H PHE 150 1.655 -8.406 -6.790 1141 HA PHE 150 HA PHE 150 0.107 -7.113 -8.839 1142 HB2 PHE 150 2HB PHE 150 0.477 -5.298 -7.590 1143 HB3 PHE 150 1HB PHE 150 1.416 -6.325 -6.503 1144 HD1 PHE 150 1HD PHE 150 1.515 -3.478 -8.590 1145 HD2 PHE 150 2HD PHE 150 3.873 -6.807 -7.284 1146 HE1 PHE 150 1HE PHE 150 3.581 -2.253 -9.207 1147 HE2 PHE 150 2HE PHE 150 5.942 -5.597 -7.887 1148 HZ PHE 150 HZ PHE 150 5.788 -3.309 -8.862 1149 H ALA 151 H ALA 151 3.550 -8.003 -8.680 1150 HA ALA 151 HA ALA 151 4.275 -6.438 -10.991 1151 HB1 ALA 151 1HB ALA 151 6.371 -7.548 -10.914 1152 HB2 ALA 151 2HB ALA 151 5.683 -8.949 -10.096 1153 HB3 ALA 151 3HB ALA 151 5.853 -7.418 -9.236 1154 H ASN 152 H ASN 152 3.363 -9.843 -10.588 1155 HA ASN 152 HA ASN 152 3.810 -10.615 -13.295 1156 HB2 ASN 152 2HB ASN 152 2.905 -12.626 -12.708 1157 HB3 ASN 152 1HB ASN 152 3.090 -11.975 -11.080 1158 HD21 ASN 152 1HD2 ASN 152 1.163 -11.181 -9.986 1159 HD22 ASN 152 2HD2 ASN 152 -0.395 -11.535 -10.569 1160 H VAL 153 H VAL 153 0.903 -9.286 -11.732 1161 HA VAL 153 HA VAL 153 -0.751 -9.515 -14.076 1162 HB VAL 153 HB VAL 153 -2.163 -7.788 -12.907 1163 HG11 VAL 153 1HG1 VAL 153 -1.827 -9.531 -10.670 1164 HG12 VAL 153 2HG1 VAL 153 -1.525 -10.467 -12.135 1165 HG13 VAL 153 3HG1 VAL 153 -3.055 -9.613 -11.934 1166 HG21 VAL 153 1HG2 VAL 153 0.087 -7.983 -10.905 1167 HG22 VAL 153 2HG2 VAL 153 -1.465 -7.227 -10.572 1168 HG23 VAL 153 3HG2 VAL 153 -0.396 -6.546 -11.795 1169 H ILE 154 H ILE 154 1.370 -6.956 -12.843 1170 HA ILE 154 HA ILE 154 0.606 -4.972 -14.745 1171 HB ILE 154 HB ILE 154 3.142 -5.398 -13.181 1172 HG12 ILE 154 2HG1 ILE 154 0.941 -3.332 -12.931 1173 HG13 ILE 154 1HG1 ILE 154 1.030 -4.795 -11.958 1174 HG21 ILE 154 1HG2 ILE 154 3.192 -2.783 -13.924 1175 HG22 ILE 154 2HG2 ILE 154 2.491 -3.521 -15.362 1176 HG23 ILE 154 3HG2 ILE 154 4.061 -4.061 -14.771 1177 HD11 ILE 154 1HD1 ILE 154 3.127 -2.612 -12.081 1178 HD12 ILE 154 2HD1 ILE 154 3.263 -4.100 -11.143 1179 HD13 ILE 154 3HD1 ILE 154 2.022 -2.912 -10.740 1180 HBC 969 201 HBC PDM 155 5.335 -9.118 2.636 1181 HBD 969 201 HBD PDM 155 6.647 -10.147 2.014 1182 HBE 969 201 HBE PDM 155 5.263 -9.742 0.971 1183 HBA 969 201 HBA PDM 155 7.081 -7.596 2.111 1184 HBB 969 201 HBB PDM 155 7.472 -8.432 0.591 1185 HA0 969 201 0HA PDM 155 4.338 -7.622 2.128 1186 HAY 969 201 HAY PDM 155 3.797 -8.255 0.553 1187 HAZ 969 201 HAZ PDM 155 3.696 -6.510 0.899 1188 HBF 969 201 HBF PDM 155 6.564 -8.043 -1.100 1189 HAQ 969 201 HAQ PDM 155 5.234 -4.483 -5.869 1190 HAL 969 201 HAL PDM 155 7.105 -4.016 -7.433 1191 HAM 969 201 HAM PDM 155 8.987 -2.404 -7.456 1192 HAN 969 201 HAN PDM 155 10.033 -1.693 -5.326 1193 HAE 969 201 HAE PDM 155 10.330 -1.958 -0.539 1194 HAS 969 201 HAS PDM 155 9.783 -3.724 2.502 1195 HAT 969 201 HAT PDM 155 9.203 -2.043 2.390 1196 HAU 969 201 HAU PDM 155 10.734 -2.508 1.611 1197 HAV 969 201 HAV PDM 155 5.913 -5.739 2.797 Start of MODEL 18 1 H1 MET 1 1HT MET 1 4.569 -10.786 9.327 2 H2 MET 1 2HT MET 1 5.827 -10.644 10.459 3 H3 MET 1 3HT MET 1 4.435 -9.680 10.605 4 HA MET 1 HA MET 1 3.153 -11.849 10.809 5 HB2 MET 1 2HB MET 1 5.732 -12.850 10.319 6 HB3 MET 1 1HB MET 1 5.437 -13.155 12.031 7 HG2 MET 1 2HG MET 1 3.573 -13.922 9.764 8 HG3 MET 1 1HG MET 1 4.621 -15.031 10.648 9 HE1 MET 1 1HE MET 1 1.358 -13.552 10.210 10 HE2 MET 1 2HE MET 1 0.440 -14.384 11.462 11 HE3 MET 1 3HE MET 1 1.397 -15.318 10.314 12 HA PRO 2 HA PRO 2 5.114 -10.956 15.212 13 HB2 PRO 2 2HB PRO 2 6.609 -8.478 14.636 14 HB3 PRO 2 1HB PRO 2 7.098 -9.895 15.583 15 HG2 PRO 2 2HG PRO 2 8.128 -9.329 13.161 16 HG3 PRO 2 1HG PRO 2 7.943 -10.982 13.770 17 HD2 PRO 2 2HD PRO 2 6.314 -9.529 11.731 18 HD3 PRO 2 1HD PRO 2 6.707 -11.262 11.841 19 H GLU 3 H GLU 3 3.991 -9.644 16.695 20 HA GLU 3 HA GLU 3 1.838 -8.048 15.710 21 HB2 GLU 3 2HB GLU 3 3.101 -8.169 18.466 22 HB3 GLU 3 1HB GLU 3 1.570 -7.381 18.100 23 HG2 GLU 3 2HG GLU 3 0.679 -9.539 17.254 24 HG3 GLU 3 1HG GLU 3 2.197 -10.319 17.700 25 H GLU 4 H GLU 4 5.128 -7.295 16.646 26 HA GLU 4 HA GLU 4 4.609 -4.388 16.544 27 HB2 GLU 4 2HB GLU 4 6.148 -5.364 18.255 28 HB3 GLU 4 1HB GLU 4 7.217 -5.856 16.943 29 HG2 GLU 4 2HG GLU 4 7.375 -3.481 16.213 30 HG3 GLU 4 1HG GLU 4 6.392 -3.019 17.605 31 H ILE 5 H ILE 5 5.357 -3.055 14.897 32 HA ILE 5 HA ILE 5 6.530 -4.439 12.522 33 HB ILE 5 HB ILE 5 5.147 -1.878 12.069 34 HG12 ILE 5 2HG1 ILE 5 3.704 -2.904 13.824 35 HG13 ILE 5 1HG1 ILE 5 2.906 -2.775 12.266 36 HG21 ILE 5 1HG2 ILE 5 5.034 -4.624 10.821 37 HG22 ILE 5 2HG2 ILE 5 5.951 -3.237 10.234 38 HG23 ILE 5 3HG2 ILE 5 4.188 -3.208 10.203 39 HD11 ILE 5 1HD1 ILE 5 2.802 -5.019 11.991 40 HD12 ILE 5 2HD1 ILE 5 3.019 -5.063 13.740 41 HD13 ILE 5 3HD1 ILE 5 4.406 -5.271 12.675 42 HA PRO 6 HA PRO 6 9.578 -1.257 13.826 43 HB2 PRO 6 2HB PRO 6 11.810 -2.703 13.155 44 HB3 PRO 6 1HB PRO 6 10.987 -2.836 14.720 45 HG2 PRO 6 2HG PRO 6 10.968 -4.675 12.416 46 HG3 PRO 6 1HG PRO 6 10.766 -5.014 14.140 47 HD2 PRO 6 2HD PRO 6 8.705 -4.894 12.238 48 HD3 PRO 6 1HD PRO 6 8.492 -4.864 14.002 49 H ASP 7 H ASP 7 11.288 -0.122 12.506 50 HA ASP 7 HA ASP 7 10.352 0.356 9.844 51 HB2 ASP 7 2HB ASP 7 12.402 1.766 9.652 52 HB3 ASP 7 1HB ASP 7 11.477 2.102 11.114 53 H VAL 8 H VAL 8 10.804 -0.709 8.008 54 HA VAL 8 HA VAL 8 13.370 -2.199 7.775 55 HB VAL 8 HB VAL 8 11.571 -3.813 8.430 56 HG11 VAL 8 1HG1 VAL 8 10.265 -3.710 5.806 57 HG12 VAL 8 2HG1 VAL 8 9.993 -2.262 6.773 58 HG13 VAL 8 3HG1 VAL 8 9.548 -3.843 7.412 59 HG21 VAL 8 1HG2 VAL 8 13.525 -4.323 6.823 60 HG22 VAL 8 2HG2 VAL 8 12.327 -4.230 5.533 61 HG23 VAL 8 3HG2 VAL 8 12.163 -5.441 6.804 62 H ARG 9 H ARG 9 14.233 -2.096 5.672 63 HA ARG 9 HA ARG 9 12.555 -0.647 3.654 64 HB2 ARG 9 2HB ARG 9 14.353 0.788 4.591 65 HB3 ARG 9 1HB ARG 9 15.545 -0.402 4.068 66 HG2 ARG 9 2HG ARG 9 14.794 -0.114 1.726 67 HG3 ARG 9 1HG ARG 9 13.634 1.103 2.257 68 HD2 ARG 9 2HD ARG 9 15.533 2.441 3.183 69 HD3 ARG 9 1HD ARG 9 16.652 1.258 2.506 70 HE ARG 9 HE ARG 9 14.813 2.338 0.520 71 HH11 ARG 9 1HH1 ARG 9 15.753 3.650 -1.063 72 HH12 ARG 9 2HH1 ARG 9 17.352 4.269 -0.817 73 HH21 ARG 9 1HH2 ARG 9 17.749 2.757 2.278 74 HH22 ARG 9 2HH2 ARG 9 18.482 3.763 1.074 75 H LYS 10 H LYS 10 12.261 -1.771 1.817 76 HA LYS 10 HA LYS 10 14.376 -3.676 0.942 77 HB2 LYS 10 2HB LYS 10 11.408 -4.302 1.042 78 HB3 LYS 10 1HB LYS 10 12.651 -5.345 0.352 79 HG2 LYS 10 2HG LYS 10 13.778 -5.407 2.580 80 HG3 LYS 10 1HG LYS 10 12.437 -4.475 3.248 81 HD2 LYS 10 2HD LYS 10 10.871 -6.271 2.488 82 HD3 LYS 10 1HD LYS 10 12.265 -7.220 1.972 83 HE2 LYS 10 2HE LYS 10 13.146 -7.009 4.346 84 HE3 LYS 10 1HE LYS 10 11.571 -6.346 4.785 85 HZ1 LYS 10 1HZ LYS 10 10.848 -8.415 4.970 86 HZ2 LYS 10 2HZ LYS 10 12.315 -9.044 4.386 87 HZ3 LYS 10 3HZ LYS 10 11.075 -8.626 3.302 88 H SER 11 H SER 11 14.157 -4.183 -1.412 89 HA SER 11 HA SER 11 12.360 -2.460 -2.959 90 HB2 SER 11 2HB SER 11 14.095 -1.247 -4.106 91 HB3 SER 11 1HB SER 11 14.295 -1.008 -2.370 92 HG SER 11 HG SER 11 16.173 -1.701 -3.855 93 H VAL 12 H VAL 12 12.288 -3.027 -5.192 94 HA VAL 12 HA VAL 12 13.961 -5.241 -6.152 95 HB VAL 12 HB VAL 12 11.029 -5.570 -5.569 96 HG11 VAL 12 1HG1 VAL 12 11.359 -7.795 -6.805 97 HG12 VAL 12 2HG1 VAL 12 12.811 -7.067 -7.493 98 HG13 VAL 12 3HG1 VAL 12 11.231 -6.351 -7.810 99 HG21 VAL 12 1HG2 VAL 12 12.401 -6.291 -3.750 100 HG22 VAL 12 2HG2 VAL 12 13.558 -7.054 -4.841 101 HG23 VAL 12 3HG2 VAL 12 11.956 -7.757 -4.621 102 H VAL 13 H VAL 13 13.643 -5.625 -8.445 103 HA VAL 13 HA VAL 13 12.421 -3.271 -9.791 104 HB VAL 13 HB VAL 13 14.400 -5.293 -10.880 105 HG11 VAL 13 1HG1 VAL 13 13.398 -4.409 -12.779 106 HG12 VAL 13 2HG1 VAL 13 14.654 -3.204 -12.501 107 HG13 VAL 13 3HG1 VAL 13 12.998 -2.886 -11.984 108 HG21 VAL 13 1HG2 VAL 13 15.114 -2.444 -10.392 109 HG22 VAL 13 2HG2 VAL 13 16.109 -3.892 -10.240 110 HG23 VAL 13 3HG2 VAL 13 14.961 -3.474 -8.968 111 H VAL 14 H VAL 14 10.701 -3.559 -11.120 112 HA VAL 14 HA VAL 14 9.904 -6.360 -11.791 113 HB VAL 14 HB VAL 14 8.437 -5.620 -10.016 114 HG11 VAL 14 1HG1 VAL 14 8.603 -3.066 -11.521 115 HG12 VAL 14 2HG1 VAL 14 8.466 -3.342 -9.784 116 HG13 VAL 14 3HG1 VAL 14 7.032 -3.435 -10.808 117 HG21 VAL 14 1HG2 VAL 14 6.989 -5.145 -12.643 118 HG22 VAL 14 2HG2 VAL 14 6.286 -5.719 -11.135 119 HG23 VAL 14 3HG2 VAL 14 7.405 -6.745 -12.031 120 H ALA 15 H ALA 15 8.535 -6.488 -13.753 121 HA ALA 15 HA ALA 15 9.507 -4.692 -15.821 122 HB1 ALA 15 1HB ALA 15 8.349 -6.085 -17.348 123 HB2 ALA 15 2HB ALA 15 7.179 -6.588 -16.126 124 HB3 ALA 15 3HB ALA 15 8.838 -7.187 -16.060 125 H ALA 16 H ALA 16 8.732 -2.576 -15.363 126 HA ALA 16 HA ALA 16 6.009 -2.009 -16.135 127 HB1 ALA 16 1HB ALA 16 6.549 -1.470 -13.216 128 HB2 ALA 16 2HB ALA 16 5.854 -3.006 -13.733 129 HB3 ALA 16 3HB ALA 16 5.002 -1.497 -14.065 130 H SER 17 H SER 17 5.553 0.339 -15.910 131 HA SER 17 HA SER 17 8.079 1.911 -15.889 132 HB2 SER 17 2HB SER 17 5.346 2.626 -17.002 133 HB3 SER 17 1HB SER 17 6.798 3.615 -17.132 134 HG SER 17 HG SER 17 6.973 0.968 -17.973 135 H VAL 18 H VAL 18 8.168 3.781 -14.498 136 HA VAL 18 HA VAL 18 6.849 3.562 -12.023 137 HB VAL 18 HB VAL 18 7.684 5.773 -11.541 138 HG11 VAL 18 1HG1 VAL 18 9.892 5.190 -11.722 139 HG12 VAL 18 2HG1 VAL 18 9.773 4.916 -13.455 140 HG13 VAL 18 3HG1 VAL 18 9.221 3.678 -12.331 141 HG21 VAL 18 1HG2 VAL 18 8.635 7.165 -13.411 142 HG22 VAL 18 2HG2 VAL 18 6.884 6.972 -13.496 143 HG23 VAL 18 3HG2 VAL 18 7.928 6.022 -14.553 144 H GLU 19 H GLU 19 5.951 5.455 -14.892 145 HA GLU 19 HA GLU 19 3.678 6.740 -13.734 146 HB2 GLU 19 2HB GLU 19 4.254 5.897 -16.581 147 HB3 GLU 19 1HB GLU 19 2.905 6.921 -16.113 148 HG2 GLU 19 2HG GLU 19 4.507 8.547 -15.129 149 HG3 GLU 19 1HG GLU 19 5.841 7.533 -15.681 150 H HIS 20 H HIS 20 4.128 3.642 -15.378 151 HA HIS 20 HA HIS 20 1.372 2.846 -15.352 152 HB2 HIS 20 2HB HIS 20 2.826 1.606 -16.784 153 HB3 HIS 20 1HB HIS 20 3.943 1.261 -15.459 154 HD1 HIS 20 1HD HIS 20 0.847 0.050 -17.071 155 HD2 HIS 20 2HD HIS 20 2.829 -0.590 -13.446 156 HE1 HIS 20 1HE HIS 20 -0.209 -1.992 -16.014 157 HE2 HIS 20 2HE HIS 20 1.000 -2.403 -13.832 158 H CYS 21 H CYS 21 4.055 2.335 -13.110 159 HA CYS 21 HA CYS 21 2.907 0.544 -11.312 160 HB2 CYS 21 2HB CYS 21 4.622 2.967 -10.700 161 HB3 CYS 21 1HB CYS 21 4.365 1.610 -9.610 162 HG CYS 21 HG CYS 21 5.944 0.212 -10.937 163 H PHE 22 H PHE 22 2.572 4.084 -11.372 164 HA PHE 22 HA PHE 22 0.657 3.967 -9.162 165 HB2 PHE 22 2HB PHE 22 2.177 6.051 -10.508 166 HB3 PHE 22 1HB PHE 22 0.501 6.529 -10.200 167 HD1 PHE 22 1HD PHE 22 -0.287 6.939 -7.994 168 HD2 PHE 22 2HD PHE 22 3.544 5.104 -8.617 169 HE1 PHE 22 1HE PHE 22 0.192 7.120 -5.570 170 HE2 PHE 22 2HE PHE 22 4.029 5.293 -6.197 171 HZ PHE 22 HZ PHE 22 2.351 6.291 -4.677 172 H GLU 23 H GLU 23 0.529 4.075 -12.651 173 HA GLU 23 HA GLU 23 -2.141 5.025 -12.929 174 HB2 GLU 23 2HB GLU 23 -0.614 4.654 -14.855 175 HB3 GLU 23 1HB GLU 23 -0.745 2.917 -14.584 176 HG2 GLU 23 2HG GLU 23 -3.193 3.054 -14.914 177 HG3 GLU 23 1HG GLU 23 -3.035 4.780 -15.253 178 H VAL 24 H VAL 24 -0.827 1.784 -12.339 179 HA VAL 24 HA VAL 24 -3.385 0.471 -12.350 180 HB VAL 24 HB VAL 24 -0.749 -0.303 -11.054 181 HG11 VAL 24 1HG1 VAL 24 -1.970 -1.893 -10.030 182 HG12 VAL 24 2HG1 VAL 24 -2.265 -2.577 -11.628 183 HG13 VAL 24 3HG1 VAL 24 -3.420 -1.447 -10.923 184 HG21 VAL 24 1HG2 VAL 24 -2.089 -1.009 -13.687 185 HG22 VAL 24 2HG2 VAL 24 -0.683 -1.859 -13.045 186 HG23 VAL 24 3HG2 VAL 24 -0.563 -0.152 -13.469 187 H PHE 25 H PHE 25 -1.369 1.907 -9.805 188 HA PHE 25 HA PHE 25 -2.804 1.079 -7.524 189 HB2 PHE 25 2HB PHE 25 -1.372 3.671 -8.146 190 HB3 PHE 25 1HB PHE 25 -2.018 3.298 -6.558 191 HD1 PHE 25 1HD PHE 25 0.434 3.713 -5.944 192 HD2 PHE 25 2HD PHE 25 -0.847 0.312 -8.254 193 HE1 PHE 25 1HE PHE 25 2.525 2.525 -5.372 194 HE2 PHE 25 2HE PHE 25 1.234 -0.864 -7.669 195 HZ PHE 25 HZ PHE 25 2.916 0.233 -6.231 196 H THR 26 H THR 26 -3.352 3.953 -9.565 197 HA THR 26 HA THR 26 -5.772 4.582 -8.057 198 HB THR 26 HB THR 26 -5.948 6.487 -9.663 199 HG1 THR 26 1HG THR 26 -4.035 6.782 -10.958 200 HG21 THR 26 1HG2 THR 26 -3.542 5.956 -7.959 201 HG22 THR 26 2HG2 THR 26 -4.858 7.106 -7.707 202 HG23 THR 26 3HG2 THR 26 -3.610 7.443 -8.907 203 H SER 27 H SER 27 -5.132 2.418 -10.496 204 HA SER 27 HA SER 27 -7.718 2.886 -11.863 205 HB2 SER 27 2HB SER 27 -5.604 2.317 -13.140 206 HB3 SER 27 1HB SER 27 -5.723 0.704 -12.450 207 HG SER 27 HG SER 27 -7.624 2.057 -14.067 208 H ARG 28 H ARG 28 -6.095 -0.009 -10.442 209 HA ARG 28 HA ARG 28 -8.419 -0.725 -8.879 210 HB2 ARG 28 2HB ARG 28 -9.031 -2.754 -10.227 211 HB3 ARG 28 1HB ARG 28 -9.445 -1.232 -11.009 212 HG2 ARG 28 2HG ARG 28 -6.715 -2.237 -11.588 213 HG3 ARG 28 1HG ARG 28 -8.014 -3.250 -12.203 214 HD2 ARG 28 2HD ARG 28 -8.457 -0.396 -12.731 215 HD3 ARG 28 1HD ARG 28 -6.988 -1.022 -13.470 216 HE ARG 28 HE ARG 28 -9.212 -2.810 -13.920 217 HH11 ARG 28 1HH1 ARG 28 -10.061 -2.870 -16.012 218 HH12 ARG 28 2HH1 ARG 28 -9.703 -1.585 -17.116 219 HH21 ARG 28 1HH2 ARG 28 -7.748 0.168 -14.855 220 HH22 ARG 28 2HH2 ARG 28 -8.394 0.135 -16.461 221 HA PRO 29 HA PRO 29 -4.237 -2.850 -8.131 222 HB2 PRO 29 2HB PRO 29 -4.372 -2.343 -5.380 223 HB3 PRO 29 1HB PRO 29 -3.422 -1.424 -6.561 224 HG2 PRO 29 2HG PRO 29 -6.044 -0.795 -5.344 225 HG3 PRO 29 1HG PRO 29 -4.744 0.288 -5.864 226 HD2 PRO 29 2HD PRO 29 -7.030 -0.018 -7.295 227 HD3 PRO 29 1HD PRO 29 -5.469 0.326 -8.066 228 H ALA 30 H ALA 30 -7.394 -3.017 -6.547 229 HA ALA 30 HA ALA 30 -6.872 -5.529 -5.191 230 HB1 ALA 30 1HB ALA 30 -9.473 -5.610 -5.225 231 HB2 ALA 30 2HB ALA 30 -9.362 -3.986 -5.893 232 HB3 ALA 30 3HB ALA 30 -8.694 -4.330 -4.299 233 H ASP 31 H ASP 31 -8.503 -4.647 -8.207 234 HA ASP 31 HA ASP 31 -9.263 -7.259 -9.011 235 HB2 ASP 31 2HB ASP 31 -10.036 -5.124 -10.069 236 HB3 ASP 31 1HB ASP 31 -8.450 -4.979 -10.823 237 H TRP 32 H TRP 32 -6.120 -6.030 -8.629 238 HA TRP 32 HA TRP 32 -4.556 -6.878 -10.704 239 HB2 TRP 32 2HB TRP 32 -4.196 -7.144 -7.749 240 HB3 TRP 32 1HB TRP 32 -3.075 -8.016 -8.782 241 HD1 TRP 32 HD TRP 32 -2.738 -5.784 -11.083 242 HE1 TRP 32 1HE TRP 32 -1.411 -3.657 -10.546 243 HE3 TRP 32 3HE TRP 32 -3.038 -5.820 -5.996 244 HZ2 TRP 32 2HZ TRP 32 -0.571 -2.163 -8.261 245 HZ3 TRP 32 3HZ TRP 32 -1.960 -4.040 -4.660 246 HH2 TRP 32 HH TRP 32 -0.726 -2.212 -5.782 247 H TRP 33 H TRP 33 -6.063 -9.073 -8.319 248 HA TRP 33 HA TRP 33 -5.190 -11.367 -10.000 249 HB2 TRP 33 2HB TRP 33 -6.314 -12.627 -7.969 250 HB3 TRP 33 1HB TRP 33 -4.707 -11.923 -7.793 251 HD1 TRP 33 HD TRP 33 -4.397 -10.093 -6.022 252 HE1 TRP 33 1HE TRP 33 -5.971 -8.840 -4.410 253 HE3 TRP 33 3HE TRP 33 -8.918 -11.677 -7.792 254 HZ2 TRP 33 2HZ TRP 33 -8.775 -8.549 -3.934 255 HZ3 TRP 33 3HZ TRP 33 -11.022 -10.897 -6.742 256 HH2 TRP 33 HH TRP 33 -10.957 -9.337 -4.816 257 HA PRO 34 HA PRO 34 -9.256 -11.854 -11.680 258 HB2 PRO 34 2HB PRO 34 -9.348 -14.556 -12.077 259 HB3 PRO 34 1HB PRO 34 -8.371 -13.462 -13.076 260 HG2 PRO 34 2HG PRO 34 -7.536 -15.229 -10.834 261 HG3 PRO 34 1HG PRO 34 -6.707 -14.869 -12.358 262 HD2 PRO 34 2HD PRO 34 -6.027 -13.701 -9.969 263 HD3 PRO 34 1HD PRO 34 -5.773 -12.923 -11.546 264 HA PRO 35 HA PRO 35 -12.109 -12.877 -8.453 265 HB2 PRO 35 2HB PRO 35 -14.225 -13.877 -9.939 266 HB3 PRO 35 1HB PRO 35 -13.885 -12.155 -9.696 267 HG2 PRO 35 2HG PRO 35 -13.289 -13.891 -12.028 268 HG3 PRO 35 1HG PRO 35 -13.766 -12.186 -11.977 269 HD2 PRO 35 2HD PRO 35 -11.196 -12.973 -12.432 270 HD3 PRO 35 1HD PRO 35 -11.600 -11.448 -11.612 271 H SER 36 H SER 36 -11.463 -15.390 -10.861 272 HA SER 36 HA SER 36 -12.664 -17.586 -9.504 273 HB2 SER 36 2HB SER 36 -11.761 -17.632 -11.850 274 HB3 SER 36 1HB SER 36 -10.135 -17.657 -11.175 275 HG SER 36 HG SER 36 -10.704 -19.761 -11.469 276 H HIS 37 H HIS 37 -9.458 -16.107 -9.163 277 HA HIS 37 HA HIS 37 -9.126 -17.659 -6.631 278 HB2 HIS 37 2HB HIS 37 -7.696 -18.632 -8.428 279 HB3 HIS 37 1HB HIS 37 -6.929 -17.057 -8.635 280 HD1 HIS 37 1HD HIS 37 -7.609 -19.475 -5.748 281 HD2 HIS 37 2HD HIS 37 -4.691 -16.791 -7.046 282 HE1 HIS 37 1HE HIS 37 -5.705 -19.623 -4.081 283 HE2 HIS 37 2HE HIS 37 -3.925 -17.992 -4.862 284 H VAL 38 H VAL 38 -8.214 -16.458 -4.930 285 HA VAL 38 HA VAL 38 -7.584 -13.598 -5.557 286 HB VAL 38 HB VAL 38 -8.629 -12.976 -3.429 287 HG11 VAL 38 1HG1 VAL 38 -9.945 -13.823 -5.734 288 HG12 VAL 38 2HG1 VAL 38 -10.648 -12.856 -4.437 289 HG13 VAL 38 3HG1 VAL 38 -10.833 -14.610 -4.429 290 HG21 VAL 38 1HG2 VAL 38 -10.113 -15.174 -2.643 291 HG22 VAL 38 2HG2 VAL 38 -8.638 -14.613 -1.856 292 HG23 VAL 38 3HG2 VAL 38 -8.559 -15.892 -3.069 293 H LEU 39 H LEU 39 -5.782 -12.761 -4.561 294 HA LEU 39 HA LEU 39 -4.091 -14.688 -3.059 295 HB2 LEU 39 2HB LEU 39 -3.368 -11.964 -4.184 296 HB3 LEU 39 1HB LEU 39 -2.247 -13.173 -3.557 297 HG LEU 39 HG LEU 39 -4.027 -13.465 -5.996 298 HD11 LEU 39 1HD1 LEU 39 -2.031 -12.067 -6.354 299 HD12 LEU 39 2HD1 LEU 39 -1.865 -13.611 -7.191 300 HD13 LEU 39 3HD1 LEU 39 -1.013 -13.336 -5.672 301 HD21 LEU 39 1HD2 LEU 39 -3.942 -15.640 -5.137 302 HD22 LEU 39 2HD2 LEU 39 -2.343 -15.404 -4.431 303 HD23 LEU 39 3HD2 LEU 39 -2.516 -15.611 -6.174 304 H VAL 40 H VAL 40 -6.451 -12.817 -2.159 305 HA VAL 40 HA VAL 40 -5.005 -11.622 0.173 306 HB VAL 40 HB VAL 40 -6.013 -9.909 -1.281 307 HG11 VAL 40 1HG1 VAL 40 -7.741 -11.154 -2.382 308 HG12 VAL 40 2HG1 VAL 40 -8.540 -9.885 -1.458 309 HG13 VAL 40 3HG1 VAL 40 -8.530 -11.538 -0.854 310 HG21 VAL 40 1HG2 VAL 40 -6.062 -9.730 1.262 311 HG22 VAL 40 2HG2 VAL 40 -7.747 -10.240 1.175 312 HG23 VAL 40 3HG2 VAL 40 -7.243 -8.737 0.407 313 H LYS 41 H LYS 41 -5.894 -12.019 2.245 314 HA LYS 41 HA LYS 41 -7.337 -14.454 2.600 315 HB2 LYS 41 2HB LYS 41 -5.891 -13.381 4.337 316 HB3 LYS 41 1HB LYS 41 -7.137 -12.153 4.551 317 HG2 LYS 41 2HG LYS 41 -8.770 -13.926 5.134 318 HG3 LYS 41 1HG LYS 41 -7.492 -15.132 4.975 319 HD2 LYS 41 2HD LYS 41 -6.192 -13.910 6.732 320 HD3 LYS 41 1HD LYS 41 -7.575 -12.837 6.953 321 HE2 LYS 41 2HE LYS 41 -8.758 -15.313 7.105 322 HE3 LYS 41 1HE LYS 41 -7.192 -15.613 7.860 323 HZ1 LYS 41 1HZ LYS 41 -7.763 -13.356 9.040 324 HZ2 LYS 41 2HZ LYS 41 -8.348 -14.835 9.638 325 HZ3 LYS 41 3HZ LYS 41 -9.356 -13.834 8.705 326 H LYS 42 H LYS 42 -8.399 -11.075 2.540 327 HA LYS 42 HA LYS 42 -11.229 -12.027 2.663 328 HB2 LYS 42 2HB LYS 42 -11.832 -9.790 3.356 329 HB3 LYS 42 1HB LYS 42 -10.470 -10.299 4.354 330 HG2 LYS 42 2HG LYS 42 -8.934 -9.107 2.770 331 HG3 LYS 42 1HG LYS 42 -10.353 -8.496 1.919 332 HD2 LYS 42 2HD LYS 42 -11.138 -7.579 4.172 333 HD3 LYS 42 1HD LYS 42 -9.514 -7.928 4.766 334 HE2 LYS 42 2HE LYS 42 -8.597 -6.545 2.878 335 HE3 LYS 42 1HE LYS 42 -10.253 -6.091 2.472 336 HZ1 LYS 42 1HZ LYS 42 -10.024 -5.669 5.176 337 HZ2 LYS 42 2HZ LYS 42 -10.049 -4.481 3.961 338 HZ3 LYS 42 3HZ LYS 42 -8.566 -5.087 4.530 339 H GLU 43 H GLU 43 -12.541 -11.647 0.863 340 HA GLU 43 HA GLU 43 -11.186 -10.972 -1.609 341 HB2 GLU 43 2HB GLU 43 -13.076 -12.600 -1.457 342 HB3 GLU 43 1HB GLU 43 -14.151 -11.248 -1.117 343 HG2 GLU 43 2HG GLU 43 -13.470 -10.199 -3.271 344 HG3 GLU 43 1HG GLU 43 -12.489 -11.623 -3.621 345 H ARG 44 H ARG 44 -10.821 -8.968 -2.337 346 HA ARG 44 HA ARG 44 -12.013 -6.635 -1.078 347 HB2 ARG 44 2HB ARG 44 -10.315 -6.899 -3.578 348 HB3 ARG 44 1HB ARG 44 -10.703 -5.378 -2.770 349 HG2 ARG 44 2HG ARG 44 -9.640 -6.267 -0.691 350 HG3 ARG 44 1HG ARG 44 -9.159 -7.703 -1.586 351 HD2 ARG 44 2HD ARG 44 -7.957 -6.192 -3.209 352 HD3 ARG 44 1HD ARG 44 -8.293 -4.850 -2.114 353 HE ARG 44 HE ARG 44 -7.074 -6.838 -0.548 354 HH11 ARG 44 1HH1 ARG 44 -4.848 -6.790 -0.160 355 HH12 ARG 44 2HH1 ARG 44 -3.810 -5.934 -1.250 356 HH21 ARG 44 1HH2 ARG 44 -6.393 -4.922 -3.331 357 HH22 ARG 44 2HH2 ARG 44 -4.685 -4.876 -3.046 358 H ALA 45 H ALA 45 -13.634 -5.292 -1.961 359 HA ALA 45 HA ALA 45 -15.173 -6.537 -4.200 360 HB1 ALA 45 1HB ALA 45 -16.991 -4.932 -3.214 361 HB2 ALA 45 2HB ALA 45 -15.929 -4.890 -1.807 362 HB3 ALA 45 3HB ALA 45 -16.604 -6.425 -2.356 363 H GLY 46 H GLY 46 -14.245 -3.312 -2.936 364 HA2 GLY 46 2HA GLY 46 -13.937 -2.375 -5.712 365 HA3 GLY 46 1HA GLY 46 -15.210 -1.585 -4.788 366 H LEU 47 H LEU 47 -13.215 0.034 -5.642 367 HA LEU 47 HA LEU 47 -11.998 0.830 -3.098 368 HB2 LEU 47 2HB LEU 47 -9.869 1.054 -4.979 369 HB3 LEU 47 1HB LEU 47 -9.909 0.099 -3.497 370 HG LEU 47 HG LEU 47 -10.903 -1.788 -4.721 371 HD11 LEU 47 1HD1 LEU 47 -11.410 0.281 -6.677 372 HD12 LEU 47 2HD1 LEU 47 -12.035 -1.367 -6.629 373 HD13 LEU 47 3HD1 LEU 47 -10.493 -1.033 -7.415 374 HD21 LEU 47 1HD2 LEU 47 -8.907 -1.853 -6.541 375 HD22 LEU 47 2HD2 LEU 47 -8.641 -2.120 -4.817 376 HD23 LEU 47 3HD2 LEU 47 -8.336 -0.538 -5.519 377 H ALA 48 H ALA 48 -11.765 3.046 -2.994 378 HA ALA 48 HA ALA 48 -12.469 4.549 -5.468 379 HB1 ALA 48 1HB ALA 48 -13.431 6.155 -4.134 380 HB2 ALA 48 2HB ALA 48 -12.220 5.972 -2.868 381 HB3 ALA 48 3HB ALA 48 -13.545 4.816 -2.993 382 H PHE 49 H PHE 49 -10.994 6.064 -6.307 383 HA PHE 49 HA PHE 49 -8.412 6.375 -4.841 384 HB2 PHE 49 2HB PHE 49 -8.934 4.928 -7.341 385 HB3 PHE 49 1HB PHE 49 -7.639 6.116 -7.464 386 HD1 PHE 49 1HD PHE 49 -5.764 6.042 -5.712 387 HD2 PHE 49 2HD PHE 49 -8.582 2.858 -6.303 388 HE1 PHE 49 1HE PHE 49 -4.182 4.446 -4.660 389 HE2 PHE 49 2HE PHE 49 -7.005 1.270 -5.241 390 HZ PHE 49 HZ PHE 49 -4.806 2.061 -4.441 391 H GLU 50 H GLU 50 -7.953 8.540 -4.784 392 HA GLU 50 HA GLU 50 -8.538 10.108 -7.248 393 HB2 GLU 50 2HB GLU 50 -9.026 11.085 -4.428 394 HB3 GLU 50 1HB GLU 50 -9.240 12.037 -5.889 395 HG2 GLU 50 2HG GLU 50 -10.738 9.505 -5.168 396 HG3 GLU 50 1HG GLU 50 -11.393 11.142 -5.124 397 HA PRO 51 HA PRO 51 -4.230 11.173 -6.533 398 HB2 PRO 51 2HB PRO 51 -3.840 12.927 -8.516 399 HB3 PRO 51 1HB PRO 51 -4.219 11.227 -8.867 400 HG2 PRO 51 2HG PRO 51 -6.020 13.609 -8.904 401 HG3 PRO 51 1HG PRO 51 -5.896 12.274 -10.064 402 HD2 PRO 51 2HD PRO 51 -7.815 12.407 -8.073 403 HD3 PRO 51 1HD PRO 51 -7.247 10.898 -8.827 404 H PHE 52 H PHE 52 -3.031 12.718 -5.373 405 HA PHE 52 HA PHE 52 -3.200 15.468 -5.337 406 HB2 PHE 52 2HB PHE 52 -4.642 15.717 -3.136 407 HB3 PHE 52 1HB PHE 52 -5.419 15.726 -4.712 408 HD1 PHE 52 1HD PHE 52 -4.052 12.528 -3.497 409 HD2 PHE 52 2HD PHE 52 -7.542 15.036 -3.593 410 HE1 PHE 52 1HE PHE 52 -5.446 10.607 -2.837 411 HE2 PHE 52 2HE PHE 52 -8.930 13.096 -2.904 412 HZ PHE 52 HZ PHE 52 -7.864 10.882 -2.525 413 H VAL 53 H VAL 53 -2.568 16.441 -3.078 414 HA VAL 53 HA VAL 53 -0.483 14.670 -1.945 415 HB VAL 53 HB VAL 53 0.672 16.614 -1.901 416 HG11 VAL 53 1HG1 VAL 53 -0.910 17.433 -3.628 417 HG12 VAL 53 2HG1 VAL 53 -0.331 18.734 -2.588 418 HG13 VAL 53 3HG1 VAL 53 -1.948 18.071 -2.352 419 HG21 VAL 53 1HG2 VAL 53 0.188 18.238 -0.147 420 HG22 VAL 53 2HG2 VAL 53 -0.097 16.618 0.480 421 HG23 VAL 53 3HG2 VAL 53 -1.461 17.637 0.007 422 H GLY 54 H GLY 54 -0.572 14.011 0.294 423 HA2 GLY 54 2HA GLY 54 -1.708 13.525 2.327 424 HA3 GLY 54 1HA GLY 54 -2.598 15.043 2.099 425 H GLY 55 H GLY 55 -2.313 12.599 -0.307 426 HA2 GLY 55 2HA GLY 55 -5.101 12.541 -0.858 427 HA3 GLY 55 1HA GLY 55 -3.869 11.493 -1.555 428 H ARG 56 H ARG 56 -6.142 10.250 -1.281 429 HA ARG 56 HA ARG 56 -5.618 8.408 0.979 430 HB2 ARG 56 2HB ARG 56 -8.272 9.809 0.555 431 HB3 ARG 56 1HB ARG 56 -8.018 8.456 1.658 432 HG2 ARG 56 2HG ARG 56 -6.273 9.810 2.838 433 HG3 ARG 56 1HG ARG 56 -6.686 11.175 1.802 434 HD2 ARG 56 2HD ARG 56 -8.562 9.748 3.707 435 HD3 ARG 56 1HD ARG 56 -7.893 11.366 3.916 436 HE ARG 56 HE ARG 56 -9.272 11.246 1.413 437 HH11 ARG 56 1HH1 ARG 56 -11.327 12.179 1.285 438 HH12 ARG 56 2HH1 ARG 56 -12.224 12.468 2.738 439 HH21 ARG 56 1HH2 ARG 56 -9.760 11.201 4.825 440 HH22 ARG 56 2HH2 ARG 56 -11.336 11.915 4.743 441 H TYR 57 H TYR 57 -6.298 6.321 0.584 442 HA TYR 57 HA TYR 57 -7.689 5.815 -2.011 443 HB2 TYR 57 2HB TYR 57 -5.665 3.996 -0.669 444 HB3 TYR 57 1HB TYR 57 -6.429 3.742 -2.234 445 HD1 TYR 57 1HD TYR 57 -6.252 6.421 -3.511 446 HD2 TYR 57 2HD TYR 57 -3.392 4.312 -1.082 447 HE1 TYR 57 1HE TYR 57 -4.419 7.683 -4.574 448 HE2 TYR 57 2HE TYR 57 -1.557 5.577 -2.164 449 HH TYR 57 HH TYR 57 -1.144 7.526 -3.393 450 H TYR 58 H TYR 58 -9.384 4.334 -1.918 451 HA TYR 58 HA TYR 58 -10.154 3.487 0.848 452 HB2 TYR 58 2HB TYR 58 -11.970 4.173 -1.472 453 HB3 TYR 58 1HB TYR 58 -12.444 3.894 0.204 454 HD1 TYR 58 1HD TYR 58 -10.186 6.071 -1.872 455 HD2 TYR 58 2HD TYR 58 -12.570 5.697 1.691 456 HE1 TYR 58 1HE TYR 58 -9.743 8.442 -1.323 457 HE2 TYR 58 2HE TYR 58 -12.128 8.076 2.230 458 HH TYR 58 HH TYR 58 -10.961 9.897 1.688 459 H GLU 59 H GLU 59 -11.024 1.445 1.139 460 HA GLU 59 HA GLU 59 -10.995 -0.391 -1.229 461 HB2 GLU 59 2HB GLU 59 -9.035 -0.713 0.290 462 HB3 GLU 59 1HB GLU 59 -10.153 -1.031 1.616 463 HG2 GLU 59 2HG GLU 59 -11.109 -2.926 0.301 464 HG3 GLU 59 1HG GLU 59 -9.879 -2.645 -0.934 465 H TRP 60 H TRP 60 -12.717 -1.845 -1.331 466 HA TRP 60 HA TRP 60 -14.817 -1.525 0.784 467 HB2 TRP 60 2HB TRP 60 -14.898 -1.663 -2.165 468 HB3 TRP 60 1HB TRP 60 -16.102 -2.660 -1.352 469 HD1 TRP 60 HD TRP 60 -17.183 -1.080 0.914 470 HE1 TRP 60 1HE TRP 60 -18.292 1.234 0.624 471 HE3 TRP 60 3HE TRP 60 -15.178 0.308 -3.570 472 HZ2 TRP 60 2HZ TRP 60 -18.312 3.392 -1.266 473 HZ3 TRP 60 3HZ TRP 60 -15.750 2.485 -4.591 474 HH2 TRP 60 HH TRP 60 -17.310 4.027 -3.451 475 H ASP 61 H ASP 61 -15.342 -3.353 1.918 476 HA ASP 61 HA ASP 61 -14.445 -5.978 0.767 477 HB2 ASP 61 2HB ASP 61 -14.607 -5.176 3.686 478 HB3 ASP 61 1HB ASP 61 -14.155 -6.772 3.087 479 H ILE 62 H ILE 62 -15.938 -7.718 0.970 480 HA ILE 62 HA ILE 62 -18.681 -7.082 0.796 481 HB ILE 62 HB ILE 62 -18.979 -9.581 1.363 482 HG12 ILE 62 2HG1 ILE 62 -16.424 -9.251 2.360 483 HG13 ILE 62 1HG1 ILE 62 -17.179 -10.800 2.004 484 HG21 ILE 62 1HG2 ILE 62 -18.991 -8.811 -0.916 485 HG22 ILE 62 2HG2 ILE 62 -17.937 -10.221 -0.844 486 HG23 ILE 62 3HG2 ILE 62 -17.242 -8.600 -0.910 487 HD11 ILE 62 1HD1 ILE 62 -16.185 -10.848 -0.198 488 HD12 ILE 62 2HD1 ILE 62 -14.905 -10.492 0.963 489 HD13 ILE 62 3HD1 ILE 62 -15.590 -9.196 -0.017 490 H ASP 63 H ASP 63 -16.703 -7.876 3.599 491 HA ASP 63 HA ASP 63 -19.132 -7.716 5.326 492 HB2 ASP 63 2HB ASP 63 -16.305 -8.650 5.909 493 HB3 ASP 63 1HB ASP 63 -17.592 -8.564 7.112 494 H GLY 64 H GLY 64 -16.355 -5.983 4.306 495 HA2 GLY 64 2HA GLY 64 -16.707 -4.039 6.538 496 HA3 GLY 64 1HA GLY 64 -15.209 -4.226 5.631 497 H THR 65 H THR 65 -17.697 -2.197 5.992 498 HA THR 65 HA THR 65 -18.626 -1.574 3.390 499 HB THR 65 HB THR 65 -18.084 0.602 5.358 500 HG1 THR 65 1HG THR 65 -18.957 -1.664 6.175 501 HG21 THR 65 1HG2 THR 65 -20.706 -0.092 4.083 502 HG22 THR 65 2HG2 THR 65 -19.440 0.653 3.109 503 HG23 THR 65 3HG2 THR 65 -20.070 1.492 4.526 504 H GLU 66 H GLU 66 -17.745 1.283 3.465 505 HA GLU 66 HA GLU 66 -15.302 0.922 1.864 506 HB2 GLU 66 2HB GLU 66 -17.286 2.589 1.427 507 HB3 GLU 66 1HB GLU 66 -16.459 3.593 2.607 508 HG2 GLU 66 2HG GLU 66 -14.369 3.347 1.262 509 HG3 GLU 66 1HG GLU 66 -15.319 2.526 0.027 510 H ILE 67 H ILE 67 -13.254 1.401 2.605 511 HA ILE 67 HA ILE 67 -12.986 2.943 5.128 512 HB ILE 67 HB ILE 67 -12.004 0.136 4.642 513 HG12 ILE 67 2HG1 ILE 67 -14.213 0.399 5.700 514 HG13 ILE 67 1HG1 ILE 67 -13.045 -0.262 6.840 515 HG21 ILE 67 1HG2 ILE 67 -10.047 1.236 5.430 516 HG22 ILE 67 2HG2 ILE 67 -10.761 0.473 6.849 517 HG23 ILE 67 3HG2 ILE 67 -10.965 2.205 6.583 518 HD11 ILE 67 1HD1 ILE 67 -13.869 1.376 8.206 519 HD12 ILE 67 2HD1 ILE 67 -14.420 2.364 6.856 520 HD13 ILE 67 3HD1 ILE 67 -12.724 2.392 7.332 521 H VAL 68 H VAL 68 -10.886 3.856 5.442 522 HA VAL 68 HA VAL 68 -9.310 4.072 2.920 523 HB VAL 68 HB VAL 68 -9.085 5.703 5.475 524 HG11 VAL 68 1HG1 VAL 68 -7.060 5.925 4.280 525 HG12 VAL 68 2HG1 VAL 68 -8.012 7.310 3.746 526 HG13 VAL 68 3HG1 VAL 68 -7.876 5.884 2.717 527 HG21 VAL 68 1HG2 VAL 68 -11.097 5.742 3.434 528 HG22 VAL 68 2HG2 VAL 68 -10.127 7.208 3.287 529 HG23 VAL 68 3HG2 VAL 68 -10.921 6.827 4.814 530 H TRP 69 H TRP 69 -7.463 2.848 2.828 531 HA TRP 69 HA TRP 69 -6.432 1.779 5.421 532 HB2 TRP 69 2HB TRP 69 -5.851 -0.190 4.353 533 HB3 TRP 69 1HB TRP 69 -7.277 0.277 3.429 534 HD1 TRP 69 HD TRP 69 -3.469 0.170 3.221 535 HE1 TRP 69 1HE TRP 69 -2.763 0.426 0.758 536 HE3 TRP 69 3HE TRP 69 -8.000 1.175 1.101 537 HZ2 TRP 69 2HZ TRP 69 -3.956 0.961 -1.777 538 HZ3 TRP 69 3HZ TRP 69 -8.177 1.543 -1.342 539 HH2 TRP 69 HH TRP 69 -6.176 1.436 -2.776 540 H GLY 70 H GLY 70 -5.669 4.226 3.363 541 HA2 GLY 70 2HA GLY 70 -2.913 4.249 4.307 542 HA3 GLY 70 1HA GLY 70 -3.033 3.958 2.576 543 H ARG 71 H ARG 71 -1.701 6.144 3.082 544 HA ARG 71 HA ARG 71 -3.561 8.328 2.332 545 HB2 ARG 71 2HB ARG 71 -2.652 8.197 4.924 546 HB3 ARG 71 1HB ARG 71 -1.415 9.190 4.161 547 HG2 ARG 71 2HG ARG 71 -3.214 10.636 3.209 548 HG3 ARG 71 1HG ARG 71 -4.394 9.712 4.139 549 HD2 ARG 71 2HD ARG 71 -3.117 10.304 6.221 550 HD3 ARG 71 1HD ARG 71 -2.090 11.347 5.239 551 HE ARG 71 HE ARG 71 -4.813 12.058 4.769 552 HH11 ARG 71 1HH1 ARG 71 -5.637 13.893 5.797 553 HH12 ARG 71 2HH1 ARG 71 -4.838 14.515 7.203 554 HH21 ARG 71 1HH2 ARG 71 -2.366 12.084 7.198 555 HH22 ARG 71 2HH2 ARG 71 -2.987 13.491 7.995 556 H ILE 72 H ILE 72 -1.956 10.337 1.852 557 HA ILE 72 HA ILE 72 0.466 9.291 0.483 558 HB ILE 72 HB ILE 72 -1.706 11.017 -0.715 559 HG12 ILE 72 2HG1 ILE 72 -1.284 9.280 -2.596 560 HG13 ILE 72 1HG1 ILE 72 -0.428 8.356 -1.364 561 HG21 ILE 72 1HG2 ILE 72 -0.115 11.198 -2.682 562 HG22 ILE 72 2HG2 ILE 72 1.158 10.625 -1.605 563 HG23 ILE 72 3HG2 ILE 72 0.337 12.149 -1.268 564 HD11 ILE 72 1HD1 ILE 72 -3.273 8.598 -1.792 565 HD12 ILE 72 2HD1 ILE 72 -2.863 9.165 -0.179 566 HD13 ILE 72 3HD1 ILE 72 -2.409 7.544 -0.676 567 H LEU 73 H LEU 73 2.014 11.156 -0.040 568 HA LEU 73 HA LEU 73 1.720 13.322 2.005 569 HB2 LEU 73 2HB LEU 73 4.175 11.927 0.927 570 HB3 LEU 73 1HB LEU 73 4.251 13.384 1.915 571 HG LEU 73 HG LEU 73 2.726 10.934 2.799 572 HD11 LEU 73 1HD1 LEU 73 4.657 10.167 3.999 573 HD12 LEU 73 2HD1 LEU 73 5.575 11.607 3.551 574 HD13 LEU 73 3HD1 LEU 73 5.145 10.415 2.323 575 HD21 LEU 73 1HD2 LEU 73 2.111 12.460 4.367 576 HD22 LEU 73 2HD2 LEU 73 3.421 13.563 3.952 577 HD23 LEU 73 3HD2 LEU 73 3.725 12.199 5.024 578 H GLU 74 H GLU 74 3.126 12.573 -1.168 579 HA GLU 74 HA GLU 74 2.134 14.937 -2.436 580 HB2 GLU 74 2HB GLU 74 3.867 15.983 -0.936 581 HB3 GLU 74 1HB GLU 74 5.093 15.014 -1.757 582 HG2 GLU 74 2HG GLU 74 4.416 16.045 -3.920 583 HG3 GLU 74 1HG GLU 74 3.273 17.067 -3.049 584 H TRP 75 H TRP 75 2.799 14.968 -4.710 585 HA TRP 75 HA TRP 75 4.020 12.378 -5.549 586 HB2 TRP 75 2HB TRP 75 2.759 12.588 -7.603 587 HB3 TRP 75 1HB TRP 75 1.652 12.846 -6.252 588 HD1 TRP 75 HD TRP 75 1.152 15.483 -5.621 589 HE1 TRP 75 1HE TRP 75 0.921 17.510 -7.198 590 HE3 TRP 75 3HE TRP 75 3.473 13.636 -9.777 591 HZ2 TRP 75 2HZ TRP 75 1.627 18.249 -9.870 592 HZ3 TRP 75 3HZ TRP 75 3.679 15.020 -11.822 593 HH2 TRP 75 HH TRP 75 2.760 17.322 -11.874 594 H ASP 76 H ASP 76 5.929 12.437 -6.650 595 HA ASP 76 HA ASP 76 6.996 15.104 -7.408 596 HB2 ASP 76 2HB ASP 76 8.219 13.223 -5.965 597 HB3 ASP 76 1HB ASP 76 8.661 12.645 -7.571 598 HA PRO 77 HA PRO 77 5.740 14.043 -11.607 599 HB2 PRO 77 2HB PRO 77 7.761 15.945 -12.551 600 HB3 PRO 77 1HB PRO 77 6.008 15.961 -12.755 601 HG2 PRO 77 2HG PRO 77 7.465 17.586 -11.045 602 HG3 PRO 77 1HG PRO 77 5.717 17.331 -11.020 603 HD2 PRO 77 2HD PRO 77 7.708 16.427 -9.106 604 HD3 PRO 77 1HD PRO 77 5.938 16.351 -8.989 605 HA PRO 78 HA PRO 78 10.339 13.027 -13.129 606 HB2 PRO 78 2HB PRO 78 11.369 12.428 -10.379 607 HB3 PRO 78 1HB PRO 78 12.231 13.060 -11.794 608 HG2 PRO 78 2HG PRO 78 11.536 14.638 -9.765 609 HG3 PRO 78 1HG PRO 78 11.513 15.208 -11.441 610 HD2 PRO 78 2HD PRO 78 9.232 14.531 -9.656 611 HD3 PRO 78 1HD PRO 78 9.308 15.688 -10.996 612 H HIS 79 H HIS 79 10.184 11.229 -10.063 613 HA HIS 79 HA HIS 79 8.394 9.206 -10.922 614 HB2 HIS 79 2HB HIS 79 10.101 7.405 -11.285 615 HB3 HIS 79 1HB HIS 79 10.136 8.644 -12.536 616 HD1 HIS 79 1HD HIS 79 11.675 8.871 -9.065 617 HD2 HIS 79 2HD HIS 79 12.867 8.793 -13.062 618 HE1 HIS 79 1HE HIS 79 14.168 9.333 -9.081 619 HE2 HIS 79 2HE HIS 79 14.902 9.287 -11.508 620 H ARG 80 H ARG 80 8.815 10.768 -8.619 621 HA ARG 80 HA ARG 80 9.547 8.633 -6.657 622 HB2 ARG 80 2HB ARG 80 11.435 10.125 -6.645 623 HB3 ARG 80 1HB ARG 80 10.385 11.543 -6.594 624 HG2 ARG 80 2HG ARG 80 9.664 11.042 -4.372 625 HG3 ARG 80 1HG ARG 80 10.380 9.430 -4.431 626 HD2 ARG 80 2HD ARG 80 11.884 10.802 -3.163 627 HD3 ARG 80 1HD ARG 80 12.628 10.557 -4.740 628 HE ARG 80 HE ARG 80 11.002 12.993 -4.515 629 HH11 ARG 80 1HH1 ARG 80 12.159 14.917 -4.775 630 HH12 ARG 80 2HH1 ARG 80 13.891 14.880 -4.744 631 HH21 ARG 80 1HH2 ARG 80 14.075 11.454 -4.247 632 HH22 ARG 80 2HH2 ARG 80 14.975 12.921 -4.445 633 H LEU 81 H LEU 81 8.073 8.392 -5.037 634 HA LEU 81 HA LEU 81 6.125 10.595 -4.583 635 HB2 LEU 81 2HB LEU 81 5.426 7.698 -5.078 636 HB3 LEU 81 1HB LEU 81 4.286 8.912 -4.509 637 HG LEU 81 HG LEU 81 5.445 10.124 -6.710 638 HD11 LEU 81 1HD1 LEU 81 5.251 8.416 -8.501 639 HD12 LEU 81 2HD1 LEU 81 4.998 7.185 -7.263 640 HD13 LEU 81 3HD1 LEU 81 6.536 8.040 -7.354 641 HD21 LEU 81 1HD2 LEU 81 3.268 9.783 -7.752 642 HD22 LEU 81 2HD2 LEU 81 3.037 10.069 -6.027 643 HD23 LEU 81 3HD2 LEU 81 2.932 8.431 -6.672 644 H ALA 82 H ALA 82 5.869 10.983 -2.465 645 HA ALA 82 HA ALA 82 6.755 8.892 -0.516 646 HB1 ALA 82 1HB ALA 82 6.313 11.861 -0.035 647 HB2 ALA 82 2HB ALA 82 7.885 11.153 -0.405 648 HB3 ALA 82 3HB ALA 82 7.047 10.710 1.082 649 H MET 83 H MET 83 5.183 8.278 1.133 650 HA MET 83 HA MET 83 2.571 9.643 0.923 651 HB2 MET 83 2HB MET 83 1.503 7.281 0.835 652 HB3 MET 83 1HB MET 83 2.154 7.966 -0.655 653 HG2 MET 83 2HG MET 83 4.203 6.704 -0.416 654 HG3 MET 83 1HG MET 83 3.731 6.150 1.190 655 HE1 MET 83 1HE MET 83 2.229 4.853 -2.905 656 HE2 MET 83 2HE MET 83 3.328 6.160 -2.469 657 HE3 MET 83 3HE MET 83 1.591 6.376 -2.272 658 H THR 84 H THR 84 1.136 9.302 2.651 659 HA THR 84 HA THR 84 2.417 8.141 5.092 660 HB THR 84 HB THR 84 0.453 10.395 4.678 661 HG1 THR 84 1HG THR 84 2.777 10.674 4.897 662 HG21 THR 84 1HG2 THR 84 -0.677 9.103 6.329 663 HG22 THR 84 2HG2 THR 84 0.214 10.331 7.227 664 HG23 THR 84 3HG2 THR 84 0.832 8.682 7.138 665 H TRP 85 H TRP 85 0.839 6.948 6.539 666 HA TRP 85 HA TRP 85 -1.197 5.577 4.841 667 HB2 TRP 85 2HB TRP 85 0.518 4.711 7.129 668 HB3 TRP 85 1HB TRP 85 -1.048 3.924 6.914 669 HD1 TRP 85 HD TRP 85 0.910 5.143 3.887 670 HE1 TRP 85 1HE TRP 85 1.688 3.104 2.516 671 HE3 TRP 85 3HE TRP 85 -0.392 1.381 7.086 672 HZ2 TRP 85 2HZ TRP 85 1.750 0.254 2.745 673 HZ3 TRP 85 3HZ TRP 85 0.037 -0.983 6.484 674 HH2 TRP 85 HH TRP 85 1.106 -1.552 4.321 675 H ARG 86 H ARG 86 -3.356 5.844 5.323 676 HA ARG 86 HA ARG 86 -4.004 7.055 7.989 677 HB2 ARG 86 2HB ARG 86 -4.541 8.539 6.091 678 HB3 ARG 86 1HB ARG 86 -5.549 7.275 5.389 679 HG2 ARG 86 2HG ARG 86 -6.992 7.311 7.388 680 HG3 ARG 86 1HG ARG 86 -5.976 8.565 8.101 681 HD2 ARG 86 2HD ARG 86 -6.487 10.037 6.159 682 HD3 ARG 86 1HD ARG 86 -7.574 8.796 5.535 683 HE ARG 86 HE ARG 86 -8.609 9.162 8.008 684 HH11 ARG 86 1HH1 ARG 86 -10.030 10.802 8.630 685 HH12 ARG 86 2HH1 ARG 86 -10.000 12.321 7.795 686 HH21 ARG 86 1HH2 ARG 86 -7.465 11.383 5.626 687 HH22 ARG 86 2HH2 ARG 86 -8.550 12.648 6.098 688 H ILE 87 H ILE 87 -4.387 5.125 9.124 689 HA ILE 87 HA ILE 87 -6.936 3.802 8.443 690 HB ILE 87 HB ILE 87 -5.061 2.445 7.378 691 HG12 ILE 87 2HG1 ILE 87 -6.531 1.017 9.611 692 HG13 ILE 87 1HG1 ILE 87 -7.335 1.572 8.143 693 HG21 ILE 87 1HG2 ILE 87 -3.556 2.922 9.445 694 HG22 ILE 87 2HG2 ILE 87 -3.506 1.308 8.736 695 HG23 ILE 87 3HG2 ILE 87 -4.439 1.598 10.204 696 HD11 ILE 87 1HD1 ILE 87 -6.317 -0.888 8.329 697 HD12 ILE 87 2HD1 ILE 87 -4.846 -0.050 7.830 698 HD13 ILE 87 3HD1 ILE 87 -6.283 0.006 6.812 699 H ASP 88 H ASP 88 -7.862 2.706 10.313 700 HA ASP 88 HA ASP 88 -6.659 3.663 12.871 701 HB2 ASP 88 2HB ASP 88 -8.931 4.480 12.428 702 HB3 ASP 88 1HB ASP 88 -9.499 2.819 12.298 703 H GLY 89 H GLY 89 -7.343 2.149 14.762 704 HA2 GLY 89 2HA GLY 89 -5.976 -0.314 14.459 705 HA3 GLY 89 1HA GLY 89 -7.054 0.069 15.801 706 H HIS 90 H HIS 90 -9.454 0.405 14.199 707 HA HIS 90 HA HIS 90 -9.913 -2.469 13.531 708 HB2 HIS 90 2HB HIS 90 -11.321 -0.733 15.204 709 HB3 HIS 90 1HB HIS 90 -12.321 -0.850 13.759 710 HD1 HIS 90 1HD HIS 90 -12.521 -2.331 16.766 711 HD2 HIS 90 2HD HIS 90 -11.771 -4.023 13.026 712 HE1 HIS 90 1HE HIS 90 -13.151 -4.780 16.948 713 HE2 HIS 90 2HE HIS 90 -12.700 -5.819 14.677 714 H TRP 91 H TRP 91 -8.704 -0.761 11.577 715 HA TRP 91 HA TRP 91 -8.962 -0.152 9.326 716 HB2 TRP 91 2HB TRP 91 -11.162 -2.195 9.678 717 HB3 TRP 91 1HB TRP 91 -10.846 -1.421 8.129 718 HD1 TRP 91 HD TRP 91 -8.477 -1.884 6.979 719 HE1 TRP 91 1HE TRP 91 -6.840 -3.854 7.221 720 HE3 TRP 91 3HE TRP 91 -10.188 -3.931 11.324 721 HZ2 TRP 91 2HZ TRP 91 -6.330 -6.031 9.030 722 HZ3 TRP 91 3HZ TRP 91 -9.122 -5.945 12.284 723 HH2 TRP 91 HH TRP 91 -7.192 -6.997 11.141 724 H GLN 92 H GLN 92 -10.064 1.669 11.168 725 HA GLN 92 HA GLN 92 -12.509 2.604 9.708 726 HB2 GLN 92 2HB GLN 92 -11.726 3.174 12.586 727 HB3 GLN 92 1HB GLN 92 -13.181 3.750 11.774 728 HG2 GLN 92 2HG GLN 92 -13.898 1.402 11.419 729 HG3 GLN 92 1HG GLN 92 -12.458 0.855 12.276 730 HE21 GLN 92 1HE2 GLN 92 -15.060 0.226 13.269 731 HE22 GLN 92 2HE2 GLN 92 -15.299 1.068 14.724 732 H SER 93 H SER 93 -12.659 4.975 9.493 733 HA SER 93 HA SER 93 -9.944 6.195 9.279 734 HB2 SER 93 2HB SER 93 -10.913 7.685 7.617 735 HB3 SER 93 1HB SER 93 -11.325 6.023 7.197 736 HG SER 93 HG SER 93 -13.366 6.346 7.926 737 H VAL 94 H VAL 94 -9.608 8.322 10.083 738 HA VAL 94 HA VAL 94 -11.784 9.485 11.750 739 HB VAL 94 HB VAL 94 -9.678 9.994 13.353 740 HG11 VAL 94 1HG1 VAL 94 -11.252 7.399 13.335 741 HG12 VAL 94 2HG1 VAL 94 -11.813 8.929 14.010 742 HG13 VAL 94 3HG1 VAL 94 -10.435 8.098 14.732 743 HG21 VAL 94 1HG2 VAL 94 -8.062 8.298 13.375 744 HG22 VAL 94 2HG2 VAL 94 -8.322 8.537 11.647 745 HG23 VAL 94 3HG2 VAL 94 -9.084 7.178 12.473 746 HA PRO 95 HA PRO 95 -10.638 13.367 10.035 747 HB2 PRO 95 2HB PRO 95 -10.309 14.857 12.419 748 HB3 PRO 95 1HB PRO 95 -11.797 14.694 11.472 749 HG2 PRO 95 2HG PRO 95 -10.969 13.305 13.941 750 HG3 PRO 95 1HG PRO 95 -12.591 13.709 13.356 751 HD2 PRO 95 2HD PRO 95 -11.621 11.172 13.287 752 HD3 PRO 95 1HD PRO 95 -12.749 11.788 12.059 753 H ASP 96 H ASP 96 -8.692 12.312 12.808 754 HA ASP 96 HA ASP 96 -6.254 13.120 11.322 755 HB2 ASP 96 2HB ASP 96 -6.886 13.954 14.162 756 HB3 ASP 96 1HB ASP 96 -5.298 14.113 13.413 757 H ASP 97 H ASP 97 -4.452 11.786 11.839 758 HA ASP 97 HA ASP 97 -5.140 9.413 13.500 759 HB2 ASP 97 2HB ASP 97 -3.122 9.827 11.283 760 HB3 ASP 97 1HB ASP 97 -3.217 8.365 12.262 761 H ASP 98 H ASP 98 -4.253 9.438 15.498 762 HA ASP 98 HA ASP 98 -1.996 11.178 16.138 763 HB2 ASP 98 2HB ASP 98 -3.517 9.124 17.754 764 HB3 ASP 98 1HB ASP 98 -2.243 10.147 18.410 765 H ARG 99 H ARG 99 -2.500 7.945 15.122 766 HA ARG 99 HA ARG 99 0.286 7.200 15.848 767 HB2 ARG 99 2HB ARG 99 -0.594 4.843 15.403 768 HB3 ARG 99 1HB ARG 99 -1.234 5.647 16.837 769 HG2 ARG 99 2HG ARG 99 -3.214 6.370 15.490 770 HG3 ARG 99 1HG ARG 99 -2.586 5.443 14.125 771 HD2 ARG 99 2HD ARG 99 -4.182 4.036 15.240 772 HD3 ARG 99 1HD ARG 99 -2.585 3.412 15.651 773 HE ARG 99 HE ARG 99 -3.290 5.270 17.663 774 HH11 ARG 99 1HH1 ARG 99 -4.156 4.524 19.613 775 HH12 ARG 99 2HH1 ARG 99 -4.901 2.962 19.674 776 HH21 ARG 99 1HH2 ARG 99 -4.336 2.270 16.323 777 HH22 ARG 99 2HH2 ARG 99 -5.004 1.686 17.809 778 H ALA 100 H ALA 100 -0.371 8.835 13.530 779 HA ALA 100 HA ALA 100 -0.255 7.012 11.225 780 HB1 ALA 100 1HB ALA 100 -1.324 8.782 10.329 781 HB2 ALA 100 2HB ALA 100 0.235 9.605 10.315 782 HB3 ALA 100 3HB ALA 100 -0.864 9.823 11.677 783 H SER 101 H SER 101 1.539 6.706 9.917 784 HA SER 101 HA SER 101 4.119 7.865 10.901 785 HB2 SER 101 2HB SER 101 3.633 5.143 9.653 786 HB3 SER 101 1HB SER 101 5.198 5.773 10.160 787 HG SER 101 HG SER 101 4.578 4.729 11.926 788 H GLU 102 H GLU 102 5.796 8.017 9.130 789 HA GLU 102 HA GLU 102 4.459 8.739 6.557 790 HB2 GLU 102 2HB GLU 102 7.107 9.671 7.702 791 HB3 GLU 102 1HB GLU 102 6.406 10.208 6.175 792 HG2 GLU 102 2HG GLU 102 4.420 11.053 7.412 793 HG3 GLU 102 1HG GLU 102 5.190 10.583 8.928 794 H ILE 103 H ILE 103 5.177 7.843 4.648 795 HA ILE 103 HA ILE 103 7.402 5.849 4.853 796 HB ILE 103 HB ILE 103 4.945 5.708 3.079 797 HG12 ILE 103 2HG1 ILE 103 5.643 4.073 5.538 798 HG13 ILE 103 1HG1 ILE 103 4.486 5.407 5.530 799 HG21 ILE 103 1HG2 ILE 103 7.455 4.483 2.842 800 HG22 ILE 103 2HG2 ILE 103 5.967 3.990 2.033 801 HG23 ILE 103 3HG2 ILE 103 6.423 3.251 3.568 802 HD11 ILE 103 1HD1 ILE 103 4.294 2.748 4.118 803 HD12 ILE 103 2HD1 ILE 103 3.339 4.134 3.589 804 HD13 ILE 103 3HD1 ILE 103 3.136 3.493 5.220 805 H GLU 104 H GLU 104 8.959 5.955 3.248 806 HA GLU 104 HA GLU 104 8.597 8.127 1.211 807 HB2 GLU 104 2HB GLU 104 10.460 8.439 2.863 808 HB3 GLU 104 1HB GLU 104 11.191 6.953 2.257 809 HG2 GLU 104 2HG GLU 104 11.247 7.953 -0.028 810 HG3 GLU 104 1HG GLU 104 10.624 9.458 0.646 811 H VAL 105 H VAL 105 8.506 7.464 -0.894 812 HA VAL 105 HA VAL 105 9.708 4.826 -1.577 813 HB VAL 105 HB VAL 105 7.057 5.794 -2.657 814 HG11 VAL 105 1HG1 VAL 105 8.368 4.156 -4.011 815 HG12 VAL 105 2HG1 VAL 105 6.846 3.487 -3.422 816 HG13 VAL 105 3HG1 VAL 105 8.363 3.058 -2.631 817 HG21 VAL 105 1HG2 VAL 105 7.753 4.371 -0.146 818 HG22 VAL 105 2HG2 VAL 105 6.424 3.682 -1.076 819 HG23 VAL 105 3HG2 VAL 105 6.339 5.355 -0.527 820 H ASP 106 H ASP 106 10.922 4.879 -3.423 821 HA ASP 106 HA ASP 106 10.677 7.307 -5.162 822 HB2 ASP 106 2HB ASP 106 13.136 5.663 -4.486 823 HB3 ASP 106 1HB ASP 106 13.102 6.983 -5.657 824 H PHE 107 H PHE 107 10.294 6.898 -7.325 825 HA PHE 107 HA PHE 107 10.461 4.045 -8.193 826 HB2 PHE 107 2HB PHE 107 8.658 6.279 -9.176 827 HB3 PHE 107 1HB PHE 107 8.724 4.658 -9.853 828 HD1 PHE 107 1HD PHE 107 7.397 2.954 -8.971 829 HD2 PHE 107 2HD PHE 107 8.188 6.455 -6.616 830 HE1 PHE 107 1HE PHE 107 5.812 2.146 -7.242 831 HE2 PHE 107 2HE PHE 107 6.602 5.652 -4.889 832 HZ PHE 107 HZ PHE 107 5.414 3.497 -5.201 833 H VAL 108 H VAL 108 11.585 3.580 -10.065 834 HA VAL 108 HA VAL 108 12.827 5.876 -11.512 835 HB VAL 108 HB VAL 108 14.277 3.279 -11.209 836 HG11 VAL 108 1HG1 VAL 108 16.226 4.823 -11.331 837 HG12 VAL 108 2HG1 VAL 108 15.111 6.184 -11.442 838 HG13 VAL 108 3HG1 VAL 108 15.162 4.979 -12.729 839 HG21 VAL 108 1HG2 VAL 108 13.950 5.433 -9.120 840 HG22 VAL 108 2HG2 VAL 108 15.394 4.422 -9.175 841 HG23 VAL 108 3HG2 VAL 108 13.811 3.685 -8.922 842 HA PRO 109 HA PRO 109 10.875 3.449 -14.812 843 HB2 PRO 109 2HB PRO 109 11.307 5.190 -16.856 844 HB3 PRO 109 1HB PRO 109 10.046 5.447 -15.637 845 HG2 PRO 109 2HG PRO 109 12.722 6.700 -15.884 846 HG3 PRO 109 1HG PRO 109 11.187 7.406 -15.359 847 HD2 PRO 109 2HD PRO 109 13.196 6.603 -13.632 848 HD3 PRO 109 1HD PRO 109 11.482 6.743 -13.176 849 H ASN 110 H ASN 110 11.817 1.818 -15.913 850 HA ASN 110 HA ASN 110 14.545 2.241 -17.037 851 HB2 ASN 110 2HB ASN 110 14.319 0.600 -15.068 852 HB3 ASN 110 1HB ASN 110 13.447 -0.435 -16.197 853 HD21 ASN 110 1HD2 ASN 110 14.774 -1.905 -17.255 854 HD22 ASN 110 2HD2 ASN 110 16.417 -1.663 -17.605 855 H GLY 111 H GLY 111 14.560 2.121 -19.226 856 HA2 GLY 111 2HA GLY 111 12.313 1.728 -20.836 857 HA3 GLY 111 1HA GLY 111 13.963 1.467 -21.406 858 H SER 112 H SER 112 12.351 -0.191 -22.598 859 HA SER 112 HA SER 112 11.953 -2.471 -22.984 860 HB2 SER 112 2HB SER 112 14.372 -2.444 -21.822 861 HB3 SER 112 1HB SER 112 13.476 -3.287 -20.562 862 HG SER 112 HG SER 112 14.241 -4.784 -22.044 863 H GLY 113 H GLY 113 10.618 -0.741 -20.688 864 HA2 GLY 113 2HA GLY 113 8.680 -1.122 -19.396 865 HA3 GLY 113 1HA GLY 113 8.691 -2.796 -19.968 866 H GLY 114 H GLY 114 10.619 -0.664 -17.825 867 HA2 GLY 114 2HA GLY 114 10.537 -2.769 -15.765 868 HA3 GLY 114 1HA GLY 114 12.131 -2.292 -16.339 869 H THR 115 H THR 115 10.487 -1.919 -13.732 870 HA THR 115 HA THR 115 11.288 0.932 -13.401 871 HB THR 115 HB THR 115 8.604 -0.289 -12.843 872 HG1 THR 115 1HG THR 115 9.387 2.312 -13.637 873 HG21 THR 115 1HG2 THR 115 9.078 0.452 -10.668 874 HG22 THR 115 2HG2 THR 115 8.256 1.832 -11.391 875 HG23 THR 115 3HG2 THR 115 10.013 1.832 -11.237 876 H ARG 116 H ARG 116 12.370 1.299 -11.507 877 HA ARG 116 HA ARG 116 12.581 -1.001 -9.613 878 HB2 ARG 116 2HB ARG 116 14.702 -0.188 -10.680 879 HB3 ARG 116 1HB ARG 116 14.432 1.386 -9.926 880 HG2 ARG 116 2HG ARG 116 14.435 0.298 -7.695 881 HG3 ARG 116 1HG ARG 116 14.769 -1.252 -8.466 882 HD2 ARG 116 2HD ARG 116 16.849 -0.264 -9.446 883 HD3 ARG 116 1HD ARG 116 16.535 1.211 -8.531 884 HE ARG 116 HE ARG 116 16.577 -1.157 -6.840 885 HH11 ARG 116 1HH1 ARG 116 18.323 -1.311 -5.414 886 HH12 ARG 116 2HH1 ARG 116 19.714 -0.307 -5.656 887 HH21 ARG 116 1HH2 ARG 116 18.426 1.253 -8.473 888 HH22 ARG 116 2HH2 ARG 116 19.772 1.144 -7.388 889 H VAL 117 H VAL 117 11.656 -0.731 -7.624 890 HA VAL 117 HA VAL 117 11.050 2.073 -6.764 891 HB VAL 117 HB VAL 117 9.367 -0.375 -6.226 892 HG11 VAL 117 1HG1 VAL 117 9.267 1.412 -4.509 893 HG12 VAL 117 2HG1 VAL 117 7.741 1.252 -5.383 894 HG13 VAL 117 3HG1 VAL 117 8.843 2.573 -5.770 895 HG21 VAL 117 1HG2 VAL 117 7.770 1.078 -7.745 896 HG22 VAL 117 2HG2 VAL 117 8.945 -0.016 -8.471 897 HG23 VAL 117 3HG2 VAL 117 9.294 1.711 -8.371 898 H GLU 118 H GLU 118 11.544 2.595 -4.698 899 HA GLU 118 HA GLU 118 12.596 0.412 -2.939 900 HB2 GLU 118 2HB GLU 118 13.416 3.342 -3.004 901 HB3 GLU 118 1HB GLU 118 14.088 2.107 -1.942 902 HG2 GLU 118 2HG GLU 118 14.891 0.855 -3.923 903 HG3 GLU 118 1HG GLU 118 14.254 2.123 -4.970 904 H LEU 119 H LEU 119 10.813 0.051 -1.619 905 HA LEU 119 HA LEU 119 9.419 2.450 -0.529 906 HB2 LEU 119 2HB LEU 119 8.089 0.679 -1.741 907 HB3 LEU 119 1HB LEU 119 8.505 -0.432 -0.448 908 HG LEU 119 HG LEU 119 7.363 2.189 0.384 909 HD11 LEU 119 1HD1 LEU 119 5.975 1.509 -1.587 910 HD12 LEU 119 2HD1 LEU 119 5.075 1.480 -0.071 911 HD13 LEU 119 3HD1 LEU 119 5.650 -0.027 -0.783 912 HD21 LEU 119 1HD2 LEU 119 8.028 -0.047 1.733 913 HD22 LEU 119 2HD2 LEU 119 6.371 -0.469 1.311 914 HD23 LEU 119 3HD2 LEU 119 6.698 0.992 2.240 915 H ALA 120 H ALA 120 9.704 2.965 1.576 916 HA ALA 120 HA ALA 120 10.710 0.844 3.425 917 HB1 ALA 120 1HB ALA 120 12.271 2.920 2.502 918 HB2 ALA 120 2HB ALA 120 12.535 2.057 4.018 919 HB3 ALA 120 3HB ALA 120 11.636 3.575 4.011 920 H HIS 121 H HIS 121 9.371 0.659 5.147 921 HA HIS 121 HA HIS 121 7.620 2.983 5.824 922 HB2 HIS 121 2HB HIS 121 5.959 1.490 6.467 923 HB3 HIS 121 1HB HIS 121 6.732 0.568 5.187 924 HD1 HIS 121 1HD HIS 121 6.679 0.840 8.979 925 HD2 HIS 121 2HD HIS 121 7.882 -1.829 6.009 926 HE1 HIS 121 1HE HIS 121 7.256 -1.335 10.157 927 HE2 HIS 121 2HE HIS 121 8.011 -2.954 8.357 928 H VAL 122 H VAL 122 8.088 4.025 7.705 929 HA VAL 122 HA VAL 122 9.724 2.550 9.732 930 HB VAL 122 HB VAL 122 10.919 4.692 10.142 931 HG11 VAL 122 1HG1 VAL 122 11.429 4.515 7.298 932 HG12 VAL 122 2HG1 VAL 122 11.191 2.904 7.975 933 HG13 VAL 122 3HG1 VAL 122 12.434 3.965 8.639 934 HG21 VAL 122 1HG2 VAL 122 10.216 6.636 9.213 935 HG22 VAL 122 2HG2 VAL 122 8.769 5.769 8.697 936 HG23 VAL 122 3HG2 VAL 122 10.148 5.912 7.607 937 H LYS 123 H LYS 123 9.563 3.316 11.899 938 HA LYS 123 HA LYS 123 8.357 3.929 13.797 939 HB2 LYS 123 2HB LYS 123 7.768 6.165 11.866 940 HB3 LYS 123 1HB LYS 123 7.063 6.154 13.483 941 HG2 LYS 123 2HG LYS 123 9.095 7.403 13.658 942 HG3 LYS 123 1HG LYS 123 9.430 5.828 14.376 943 HD2 LYS 123 2HD LYS 123 10.555 5.075 12.382 944 HD3 LYS 123 1HD LYS 123 10.037 6.503 11.487 945 HE2 LYS 123 2HE LYS 123 12.432 6.211 12.902 946 HE3 LYS 123 1HE LYS 123 11.769 7.718 12.270 947 HZ1 LYS 123 1HZ LYS 123 10.634 8.101 14.318 948 HZ2 LYS 123 2HZ LYS 123 12.262 7.773 14.678 949 HZ3 LYS 123 3HZ LYS 123 11.078 6.580 14.923 950 H LEU 124 H LEU 124 7.059 2.091 11.858 951 HA LEU 124 HA LEU 124 4.245 2.791 11.797 952 HB2 LEU 124 2HB LEU 124 5.871 0.362 11.175 953 HB3 LEU 124 1HB LEU 124 4.138 0.160 11.444 954 HG LEU 124 HG LEU 124 4.790 0.589 9.037 955 HD11 LEU 124 1HD1 LEU 124 2.679 1.329 8.856 956 HD12 LEU 124 2HD1 LEU 124 3.162 2.918 9.446 957 HD13 LEU 124 3HD1 LEU 124 2.670 1.666 10.586 958 HD21 LEU 124 1HD2 LEU 124 6.540 2.352 9.885 959 HD22 LEU 124 2HD2 LEU 124 5.170 3.460 9.851 960 HD23 LEU 124 3HD2 LEU 124 5.684 2.652 8.376 961 H HIS 125 H HIS 125 6.286 0.740 13.843 962 HA HIS 125 HA HIS 125 4.419 -0.461 15.496 963 HB2 HIS 125 2HB HIS 125 6.763 -0.878 15.851 964 HB3 HIS 125 1HB HIS 125 7.048 0.812 16.258 965 HD1 HIS 125 1HD HIS 125 4.462 -1.706 17.523 966 HD2 HIS 125 2HD HIS 125 7.350 0.919 18.998 967 HE1 HIS 125 1HE HIS 125 4.325 -1.833 20.051 968 HE2 HIS 125 2HE HIS 125 6.077 -0.240 20.958 969 H ARG 126 H ARG 126 4.836 2.876 15.047 970 HA ARG 126 HA ARG 126 4.217 4.024 17.505 971 HB2 ARG 126 2HB ARG 126 4.548 5.278 15.358 972 HB3 ARG 126 1HB ARG 126 2.931 4.783 14.875 973 HG2 ARG 126 2HG ARG 126 2.549 6.903 15.794 974 HG3 ARG 126 1HG ARG 126 2.189 5.834 17.148 975 HD2 ARG 126 2HD ARG 126 4.480 6.178 18.023 976 HD3 ARG 126 1HD ARG 126 4.832 7.247 16.668 977 HE ARG 126 HE ARG 126 2.525 8.271 17.922 978 HH11 ARG 126 1HH1 ARG 126 2.708 9.943 19.432 979 HH12 ARG 126 2HH1 ARG 126 4.218 10.199 20.243 980 HH21 ARG 126 1HH2 ARG 126 5.831 7.590 18.625 981 HH22 ARG 126 2HH2 ARG 126 5.985 8.867 19.785 982 H HIS 127 H HIS 127 2.083 2.225 15.327 983 HA HIS 127 HA HIS 127 -0.250 2.748 17.037 984 HB2 HIS 127 2HB HIS 127 -1.386 1.142 15.452 985 HB3 HIS 127 1HB HIS 127 -0.708 2.572 14.681 986 HD1 HIS 127 1HD HIS 127 2.149 0.678 15.441 987 HD2 HIS 127 2HD HIS 127 -0.832 0.279 12.552 988 HE1 HIS 127 1HE HIS 127 3.130 -0.744 13.591 989 HE2 HIS 127 2HE HIS 127 1.319 -1.012 11.835 990 H GLY 128 H GLY 128 2.166 0.261 16.585 991 HA2 GLY 128 2HA GLY 128 2.385 -1.878 17.574 992 HA3 GLY 128 1HA GLY 128 2.021 -0.955 19.034 993 H ASP 129 H ASP 129 0.859 -2.701 19.971 994 HA ASP 129 HA ASP 129 -1.005 -4.073 20.371 995 HB2 ASP 129 2HB ASP 129 -2.333 -1.771 18.906 996 HB3 ASP 129 1HB ASP 129 -3.183 -2.984 19.863 997 H GLY 130 H GLY 130 -3.361 -3.895 18.364 998 HA2 GLY 130 2HA GLY 130 -2.548 -6.163 16.760 999 HA3 GLY 130 1HA GLY 130 -4.080 -5.291 16.612 1000 H ALA 131 H ALA 131 -0.808 -3.971 16.342 1001 HA ALA 131 HA ALA 131 -1.395 -2.380 14.064 1002 HB1 ALA 131 1HB ALA 131 0.532 -1.648 15.064 1003 HB2 ALA 131 2HB ALA 131 1.273 -2.691 13.848 1004 HB3 ALA 131 3HB ALA 131 1.052 -3.276 15.494 1005 H TRP 132 H TRP 132 0.546 -5.413 14.166 1006 HA TRP 132 HA TRP 132 0.710 -5.678 11.337 1007 HB2 TRP 132 2HB TRP 132 2.102 -6.993 12.927 1008 HB3 TRP 132 1HB TRP 132 0.669 -7.920 13.385 1009 HD1 TRP 132 HD TRP 132 -0.438 -9.472 11.489 1010 HE1 TRP 132 1HE TRP 132 0.596 -10.598 9.414 1011 HE3 TRP 132 3HE TRP 132 3.903 -6.780 11.075 1012 HZ2 TRP 132 2HZ TRP 132 2.941 -10.393 7.800 1013 HZ3 TRP 132 3HZ TRP 132 5.510 -7.278 9.260 1014 HH2 TRP 132 HH TRP 132 5.037 -9.078 7.623 1015 H ASN 133 H ASN 133 -1.817 -6.518 13.630 1016 HA ASN 133 HA ASN 133 -3.378 -8.267 12.038 1017 HB2 ASN 133 2HB ASN 133 -3.780 -7.443 14.466 1018 HB3 ASN 133 1HB ASN 133 -4.594 -6.071 13.717 1019 HD21 ASN 133 1HD2 ASN 133 -6.589 -7.027 14.825 1020 HD22 ASN 133 2HD2 ASN 133 -7.427 -8.266 14.024 1021 H ILE 134 H ILE 134 -3.193 -4.734 12.110 1022 HA ILE 134 HA ILE 134 -5.214 -4.181 10.187 1023 HB ILE 134 HB ILE 134 -2.616 -2.738 10.768 1024 HG12 ILE 134 2HG1 ILE 134 -5.431 -2.220 11.773 1025 HG13 ILE 134 1HG1 ILE 134 -4.172 -3.034 12.707 1026 HG21 ILE 134 1HG2 ILE 134 -3.166 -1.369 9.082 1027 HG22 ILE 134 2HG2 ILE 134 -4.680 -0.997 9.907 1028 HG23 ILE 134 3HG2 ILE 134 -4.607 -2.330 8.753 1029 HD11 ILE 134 1HD1 ILE 134 -2.744 -0.918 12.177 1030 HD12 ILE 134 2HD1 ILE 134 -3.985 -0.805 13.424 1031 HD13 ILE 134 3HD1 ILE 134 -4.294 -0.161 11.811 1032 H HIS 135 H HIS 135 -1.743 -4.829 9.906 1033 HA HIS 135 HA HIS 135 -1.593 -4.659 7.052 1034 HB2 HIS 135 2HB HIS 135 0.475 -4.599 8.254 1035 HB3 HIS 135 1HB HIS 135 0.098 -6.099 9.110 1036 HD1 HIS 135 1HD HIS 135 -0.791 -6.040 5.552 1037 HD2 HIS 135 2HD HIS 135 2.475 -7.245 7.832 1038 HE1 HIS 135 1HE HIS 135 0.594 -7.515 4.046 1039 HE2 HIS 135 2HE HIS 135 2.614 -8.250 5.418 1040 H LYS 136 H LYS 136 -2.453 -7.261 9.280 1041 HA LYS 136 HA LYS 136 -2.332 -9.461 7.533 1042 HB2 LYS 136 2HB LYS 136 -2.957 -9.548 9.975 1043 HB3 LYS 136 1HB LYS 136 -4.549 -8.960 9.523 1044 HG2 LYS 136 2HG LYS 136 -4.829 -10.898 8.025 1045 HG3 LYS 136 1HG LYS 136 -3.259 -11.502 8.537 1046 HD2 LYS 136 2HD LYS 136 -4.102 -11.515 10.902 1047 HD3 LYS 136 1HD LYS 136 -5.699 -11.092 10.283 1048 HE2 LYS 136 2HE LYS 136 -5.728 -13.461 10.492 1049 HE3 LYS 136 1HE LYS 136 -5.486 -13.155 8.772 1050 HZ1 LYS 136 1HZ LYS 136 -3.330 -13.829 8.855 1051 HZ2 LYS 136 2HZ LYS 136 -3.960 -14.810 10.092 1052 HZ3 LYS 136 3HZ LYS 136 -3.119 -13.385 10.478 1053 H ALA 137 H ALA 137 -4.742 -6.886 7.777 1054 HA ALA 137 HA ALA 137 -6.635 -8.070 5.959 1055 HB1 ALA 137 1HB ALA 137 -7.531 -6.241 7.103 1056 HB2 ALA 137 2HB ALA 137 -7.151 -5.518 5.540 1057 HB3 ALA 137 3HB ALA 137 -6.063 -5.286 6.906 1058 H LEU 138 H LEU 138 -3.870 -5.859 5.509 1059 HA LEU 138 HA LEU 138 -4.186 -5.657 2.651 1060 HB2 LEU 138 2HB LEU 138 -1.674 -5.370 4.325 1061 HB3 LEU 138 1HB LEU 138 -1.861 -4.838 2.659 1062 HG LEU 138 HG LEU 138 -3.451 -3.825 5.033 1063 HD11 LEU 138 1HD1 LEU 138 -2.225 -1.776 4.757 1064 HD12 LEU 138 2HD1 LEU 138 -1.491 -2.346 3.259 1065 HD13 LEU 138 3HD1 LEU 138 -1.032 -3.075 4.798 1066 HD21 LEU 138 1HD2 LEU 138 -4.953 -3.587 3.271 1067 HD22 LEU 138 2HD2 LEU 138 -3.673 -3.458 2.064 1068 HD23 LEU 138 3HD2 LEU 138 -4.039 -2.087 3.112 1069 H ASP 139 H ASP 139 -2.569 -7.946 4.785 1070 HA ASP 139 HA ASP 139 -1.818 -10.119 4.365 1071 HB2 ASP 139 2HB ASP 139 -3.790 -9.626 2.393 1072 HB3 ASP 139 1HB ASP 139 -2.436 -10.409 1.581 1073 H GLY 140 H GLY 140 0.366 -10.069 4.368 1074 HA2 GLY 140 2HA GLY 140 1.715 -9.572 1.766 1075 HA3 GLY 140 1HA GLY 140 2.321 -8.756 3.208 1076 HA PRO 141 HA PRO 141 2.935 -13.541 4.026 1077 HB2 PRO 141 2HB PRO 141 2.706 -14.607 1.274 1078 HB3 PRO 141 1HB PRO 141 2.041 -15.245 2.788 1079 HG2 PRO 141 2HG PRO 141 0.508 -14.090 0.916 1080 HG3 PRO 141 1HG PRO 141 0.149 -13.979 2.647 1081 HD2 PRO 141 2HD PRO 141 1.297 -11.904 0.825 1082 HD3 PRO 141 1HD PRO 141 0.229 -11.712 2.232 1083 H SER 142 H SER 142 5.048 -14.418 3.983 1084 HA SER 142 HA SER 142 7.163 -12.939 2.931 1085 HB2 SER 142 2HB SER 142 8.279 -14.483 4.124 1086 HB3 SER 142 1HB SER 142 6.852 -15.513 4.173 1087 HG SER 142 HG SER 142 8.237 -16.712 3.041 1088 HA PRO 143 HA PRO 143 7.139 -15.510 -1.078 1089 HB2 PRO 143 2HB PRO 143 5.267 -17.412 -1.496 1090 HB3 PRO 143 1HB PRO 143 6.731 -17.727 -0.541 1091 HG2 PRO 143 2HG PRO 143 3.948 -17.237 0.367 1092 HG3 PRO 143 1HG PRO 143 5.191 -18.301 1.046 1093 HD2 PRO 143 2HD PRO 143 4.525 -15.767 2.027 1094 HD3 PRO 143 1HD PRO 143 6.021 -16.650 2.389 1095 H GLY 144 H GLY 144 3.642 -15.583 -0.277 1096 HA2 GLY 144 2HA GLY 144 2.898 -14.368 -2.808 1097 HA3 GLY 144 1HA GLY 144 1.816 -14.641 -1.435 1098 H GLU 145 H GLU 145 4.786 -12.998 -0.862 1099 HA GLU 145 HA GLU 145 3.787 -10.781 0.441 1100 HB2 GLU 145 2HB GLU 145 5.919 -9.733 0.049 1101 HB3 GLU 145 1HB GLU 145 6.209 -11.463 0.187 1102 HG2 GLU 145 2HG GLU 145 6.118 -11.625 -2.313 1103 HG3 GLU 145 1HG GLU 145 6.003 -9.867 -2.382 1104 H THR 146 H THR 146 4.100 -8.404 -0.481 1105 HA THR 146 HA THR 146 2.035 -7.924 -2.360 1106 HB THR 146 HB THR 146 4.376 -6.079 -1.926 1107 HG1 THR 146 1HG THR 146 3.795 -5.889 0.056 1108 HG21 THR 146 1HG2 THR 146 2.665 -4.345 -2.252 1109 HG22 THR 146 2HG2 THR 146 1.434 -5.594 -2.443 1110 HG23 THR 146 3HG2 THR 146 2.723 -5.438 -3.636 1111 H LEU 147 H LEU 147 5.549 -8.091 -2.814 1112 HA LEU 147 HA LEU 147 5.644 -7.322 -5.526 1113 HB2 LEU 147 2HB LEU 147 7.397 -9.346 -4.103 1114 HB3 LEU 147 1HB LEU 147 7.795 -8.500 -5.598 1115 HG LEU 147 HG LEU 147 7.004 -6.537 -3.703 1116 HD11 LEU 147 1HD1 LEU 147 8.790 -6.917 -1.985 1117 HD12 LEU 147 2HD1 LEU 147 9.024 -8.532 -2.653 1118 HD13 LEU 147 3HD1 LEU 147 7.483 -8.098 -1.912 1119 HD21 LEU 147 1HD2 LEU 147 8.573 -6.199 -5.561 1120 HD22 LEU 147 2HD2 LEU 147 9.720 -7.306 -4.808 1121 HD23 LEU 147 3HD2 LEU 147 9.343 -5.767 -4.033 1122 H ALA 148 H ALA 148 4.828 -10.437 -4.082 1123 HA ALA 148 HA ALA 148 5.006 -11.940 -6.524 1124 HB1 ALA 148 1HB ALA 148 4.329 -12.448 -3.809 1125 HB2 ALA 148 2HB ALA 148 4.657 -13.620 -5.085 1126 HB3 ALA 148 3HB ALA 148 3.008 -13.051 -4.812 1127 H ARG 149 H ARG 149 2.130 -10.634 -4.831 1128 HA ARG 149 HA ARG 149 0.378 -11.423 -6.974 1129 HB2 ARG 149 2HB ARG 149 -1.295 -9.988 -5.741 1130 HB3 ARG 149 1HB ARG 149 -0.559 -11.273 -4.791 1131 HG2 ARG 149 2HG ARG 149 0.066 -9.717 -3.291 1132 HG3 ARG 149 1HG ARG 149 1.154 -9.054 -4.506 1133 HD2 ARG 149 2HD ARG 149 -0.545 -7.530 -5.303 1134 HD3 ARG 149 1HD ARG 149 -1.775 -8.300 -4.300 1135 HE ARG 149 HE ARG 149 0.493 -7.206 -2.799 1136 HH11 ARG 149 1HH1 ARG 149 -0.040 -5.517 -1.393 1137 HH12 ARG 149 2HH1 ARG 149 -1.585 -4.747 -1.533 1138 HH21 ARG 149 1HH2 ARG 149 -2.630 -6.730 -4.179 1139 HH22 ARG 149 2HH2 ARG 149 -3.052 -5.434 -3.110 1140 H PHE 150 H PHE 150 1.409 -8.124 -5.946 1141 HA PHE 150 HA PHE 150 0.092 -6.944 -8.240 1142 HB2 PHE 150 2HB PHE 150 0.293 -5.082 -7.020 1143 HB3 PHE 150 1HB PHE 150 1.174 -6.018 -5.808 1144 HD1 PHE 150 1HD PHE 150 3.685 -6.455 -6.306 1145 HD2 PHE 150 2HD PHE 150 1.391 -3.332 -8.139 1146 HE1 PHE 150 1HE PHE 150 5.763 -5.270 -6.859 1147 HE2 PHE 150 2HE PHE 150 3.486 -2.125 -8.698 1148 HZ PHE 150 HZ PHE 150 5.676 -3.096 -8.060 1149 H ALA 151 H ALA 151 3.511 -7.775 -7.585 1150 HA ALA 151 HA ALA 151 4.461 -6.383 -9.933 1151 HB1 ALA 151 1HB ALA 151 6.007 -8.714 -8.935 1152 HB2 ALA 151 2HB ALA 151 5.738 -7.390 -7.799 1153 HB3 ALA 151 3HB ALA 151 6.552 -7.086 -9.330 1154 H ASN 152 H ASN 152 3.623 -9.788 -9.325 1155 HA ASN 152 HA ASN 152 4.428 -10.738 -11.900 1156 HB2 ASN 152 2HB ASN 152 3.455 -12.756 -11.309 1157 HB3 ASN 152 1HB ASN 152 3.698 -12.030 -9.720 1158 HD21 ASN 152 1HD2 ASN 152 1.765 -10.869 -8.768 1159 HD22 ASN 152 2HD2 ASN 152 0.205 -11.394 -9.200 1160 H VAL 153 H VAL 153 1.295 -9.505 -10.750 1161 HA VAL 153 HA VAL 153 -0.107 -10.047 -13.199 1162 HB VAL 153 HB VAL 153 -1.749 -8.389 -12.320 1163 HG11 VAL 153 1HG1 VAL 153 -0.710 -10.731 -10.823 1164 HG12 VAL 153 2HG1 VAL 153 -2.335 -10.422 -11.436 1165 HG13 VAL 153 3HG1 VAL 153 -1.803 -9.672 -9.931 1166 HG21 VAL 153 1HG2 VAL 153 -0.296 -6.801 -11.269 1167 HG22 VAL 153 2HG2 VAL 153 0.417 -8.050 -10.256 1168 HG23 VAL 153 3HG2 VAL 153 -1.240 -7.545 -9.982 1169 H ILE 154 H ILE 154 1.699 -7.218 -12.035 1170 HA ILE 154 HA ILE 154 0.917 -5.477 -14.144 1171 HB ILE 154 HB ILE 154 3.351 -5.549 -12.375 1172 HG12 ILE 154 2HG1 ILE 154 1.051 -3.588 -12.562 1173 HG13 ILE 154 1HG1 ILE 154 1.103 -4.931 -11.424 1174 HG21 ILE 154 1HG2 ILE 154 3.613 -3.144 -13.314 1175 HG22 ILE 154 2HG2 ILE 154 2.659 -3.741 -14.670 1176 HG23 ILE 154 3HG2 ILE 154 4.205 -4.492 -14.281 1177 HD11 ILE 154 1HD1 ILE 154 3.119 -2.675 -11.600 1178 HD12 ILE 154 2HD1 ILE 154 3.221 -4.045 -10.495 1179 HD13 ILE 154 3HD1 ILE 154 1.903 -2.882 -10.337 1180 HBC 969 201 HBC PDM 155 8.195 -9.330 1.195 1181 HBD 969 201 HBD PDM 155 8.713 -7.701 1.687 1182 HBE 969 201 HBE PDM 155 7.854 -7.934 0.146 1183 HBA 969 201 HBA PDM 155 6.106 -9.029 2.018 1184 HBB 969 201 HBB PDM 155 6.779 -7.627 2.877 1185 HA0 969 201 0HA PDM 155 3.820 -6.232 1.582 1186 HAY 969 201 HAY PDM 155 4.279 -7.606 2.617 1187 HAZ 969 201 HAZ PDM 155 3.693 -7.893 0.960 1188 HBF 969 201 HBF PDM 155 6.491 -8.168 -0.450 1189 HAQ 969 201 HAQ PDM 155 5.326 -4.119 -4.281 1190 HAL 969 201 HAL PDM 155 7.327 -4.127 -6.905 1191 HAM 969 201 HAM PDM 155 9.227 -2.540 -6.938 1192 HAN 969 201 HAN PDM 155 10.218 -1.754 -4.813 1193 HAE 969 201 HAE PDM 155 10.443 -1.907 -0.013 1194 HAS 969 201 HAS PDM 155 9.269 -2.027 2.956 1195 HAT 969 201 HAT PDM 155 10.814 -2.372 2.139 1196 HAU 969 201 HAU PDM 155 9.955 -3.671 2.999 1197 HAV 969 201 HAV PDM 155 6.027 -5.669 3.345 Start of MODEL 19 1 H1 MET 1 1HT MET 1 4.427 -13.602 10.251 2 H2 MET 1 2HT MET 1 5.227 -13.122 11.671 3 H3 MET 1 3HT MET 1 5.654 -12.434 10.178 4 HA MET 1 HA MET 1 4.115 -10.868 10.356 5 HB2 MET 1 2HB MET 1 1.715 -11.586 10.938 6 HB3 MET 1 1HB MET 1 2.407 -12.269 9.467 7 HG2 MET 1 2HG MET 1 3.060 -13.882 11.801 8 HG3 MET 1 1HG MET 1 1.316 -13.706 11.601 9 HE1 MET 1 1HE MET 1 1.921 -16.490 11.446 10 HE2 MET 1 2HE MET 1 1.244 -16.991 9.899 11 HE3 MET 1 3HE MET 1 0.407 -15.781 10.868 12 HA PRO 2 HA PRO 2 4.889 -11.105 14.980 13 HB2 PRO 2 2HB PRO 2 6.344 -8.595 14.500 14 HB3 PRO 2 1HB PRO 2 6.894 -10.077 15.304 15 HG2 PRO 2 2HG PRO 2 7.790 -9.293 12.881 16 HG3 PRO 2 1HG PRO 2 7.680 -10.991 13.375 17 HD2 PRO 2 2HD PRO 2 5.888 -9.439 11.548 18 HD3 PRO 2 1HD PRO 2 6.359 -11.154 11.484 19 H GLU 3 H GLU 3 3.752 -9.891 16.523 20 HA GLU 3 HA GLU 3 1.596 -8.237 15.632 21 HB2 GLU 3 2HB GLU 3 2.850 -8.540 18.379 22 HB3 GLU 3 1HB GLU 3 1.319 -7.729 18.060 23 HG2 GLU 3 2HG GLU 3 0.433 -9.828 17.071 24 HG3 GLU 3 1HG GLU 3 1.950 -10.634 17.472 25 H GLU 4 H GLU 4 4.889 -7.561 16.588 26 HA GLU 4 HA GLU 4 4.394 -4.653 16.728 27 HB2 GLU 4 2HB GLU 4 5.975 -5.806 18.299 28 HB3 GLU 4 1HB GLU 4 7.005 -6.157 16.913 29 HG2 GLU 4 2HG GLU 4 7.140 -3.716 16.430 30 HG3 GLU 4 1HG GLU 4 6.200 -3.405 17.892 31 H ILE 5 H ILE 5 5.096 -3.193 15.164 32 HA ILE 5 HA ILE 5 6.200 -4.393 12.658 33 HB ILE 5 HB ILE 5 4.835 -1.799 12.430 34 HG12 ILE 5 2HG1 ILE 5 3.425 -2.929 14.149 35 HG13 ILE 5 1HG1 ILE 5 2.589 -2.662 12.629 36 HG21 ILE 5 1HG2 ILE 5 5.566 -3.023 10.481 37 HG22 ILE 5 2HG2 ILE 5 3.803 -2.984 10.505 38 HG23 ILE 5 3HG2 ILE 5 4.656 -4.445 10.994 39 HD11 ILE 5 1HD1 ILE 5 2.670 -5.062 13.900 40 HD12 ILE 5 2HD1 ILE 5 4.051 -5.212 12.814 41 HD13 ILE 5 3HD1 ILE 5 2.449 -4.873 12.161 42 HA PRO 6 HA PRO 6 9.298 -1.311 14.072 43 HB2 PRO 6 2HB PRO 6 11.509 -2.756 13.373 44 HB3 PRO 6 1HB PRO 6 10.656 -2.973 14.914 45 HG2 PRO 6 2HG PRO 6 10.651 -4.669 12.499 46 HG3 PRO 6 1HG PRO 6 10.432 -5.113 14.198 47 HD2 PRO 6 2HD PRO 6 8.383 -4.839 12.285 48 HD3 PRO 6 1HD PRO 6 8.161 -4.942 14.045 49 H ASP 7 H ASP 7 11.068 -0.198 12.781 50 HA ASP 7 HA ASP 7 10.134 0.386 10.130 51 HB2 ASP 7 2HB ASP 7 12.180 1.784 9.984 52 HB3 ASP 7 1HB ASP 7 11.300 2.063 11.486 53 H VAL 8 H VAL 8 10.581 -0.658 8.271 54 HA VAL 8 HA VAL 8 13.144 -2.138 8.025 55 HB VAL 8 HB VAL 8 11.432 -3.810 8.658 56 HG11 VAL 8 1HG1 VAL 8 9.419 -2.754 7.830 57 HG12 VAL 8 2HG1 VAL 8 9.611 -4.292 6.995 58 HG13 VAL 8 3HG1 VAL 8 10.022 -2.789 6.175 59 HG21 VAL 8 1HG2 VAL 8 13.297 -4.073 6.776 60 HG22 VAL 8 2HG2 VAL 8 11.885 -4.284 5.741 61 HG23 VAL 8 3HG2 VAL 8 12.147 -5.368 7.107 62 H ARG 9 H ARG 9 14.017 -2.023 5.937 63 HA ARG 9 HA ARG 9 12.373 -0.517 3.932 64 HB2 ARG 9 2HB ARG 9 14.222 0.845 4.866 65 HB3 ARG 9 1HB ARG 9 15.372 -0.390 4.347 66 HG2 ARG 9 2HG ARG 9 14.730 -0.058 2.013 67 HG3 ARG 9 1HG ARG 9 13.500 1.110 2.493 68 HD2 ARG 9 2HD ARG 9 15.425 2.369 1.783 69 HD3 ARG 9 1HD ARG 9 15.352 2.483 3.542 70 HE ARG 9 HE ARG 9 17.369 1.257 3.648 71 HH11 ARG 9 1HH1 ARG 9 19.109 0.167 2.704 72 HH12 ARG 9 2HH1 ARG 9 19.019 -0.304 1.040 73 HH21 ARG 9 1HH2 ARG 9 15.844 1.007 0.565 74 HH22 ARG 9 2HH2 ARG 9 17.171 0.172 -0.171 75 H LYS 10 H LYS 10 12.063 -1.584 2.051 76 HA LYS 10 HA LYS 10 14.093 -3.588 1.198 77 HB2 LYS 10 2HB LYS 10 11.098 -4.064 1.257 78 HB3 LYS 10 1HB LYS 10 12.292 -5.161 0.563 79 HG2 LYS 10 2HG LYS 10 13.398 -5.302 2.797 80 HG3 LYS 10 1HG LYS 10 12.101 -4.311 3.466 81 HD2 LYS 10 2HD LYS 10 10.452 -6.019 2.680 82 HD3 LYS 10 1HD LYS 10 11.801 -7.031 2.161 83 HE2 LYS 10 2HE LYS 10 12.463 -6.330 4.776 84 HE3 LYS 10 1HE LYS 10 10.724 -6.620 4.843 85 HZ1 LYS 10 1HZ LYS 10 11.037 -8.789 4.595 86 HZ2 LYS 10 2HZ LYS 10 12.697 -8.521 4.831 87 HZ3 LYS 10 3HZ LYS 10 12.058 -8.575 3.259 88 H SER 11 H SER 11 13.962 -4.039 -1.137 89 HA SER 11 HA SER 11 12.257 -2.286 -2.758 90 HB2 SER 11 2HB SER 11 14.056 -1.109 -3.833 91 HB3 SER 11 1HB SER 11 14.214 -0.883 -2.090 92 HG SER 11 HG SER 11 15.475 -3.118 -3.086 93 H VAL 12 H VAL 12 12.243 -2.897 -4.978 94 HA VAL 12 HA VAL 12 13.926 -5.140 -5.846 95 HB VAL 12 HB VAL 12 10.975 -5.437 -5.349 96 HG11 VAL 12 1HG1 VAL 12 11.224 -6.265 -7.561 97 HG12 VAL 12 2HG1 VAL 12 11.340 -7.693 -6.532 98 HG13 VAL 12 3HG1 VAL 12 12.801 -6.967 -7.201 99 HG21 VAL 12 1HG2 VAL 12 12.275 -6.142 -3.474 100 HG22 VAL 12 2HG2 VAL 12 13.474 -6.917 -4.511 101 HG23 VAL 12 3HG2 VAL 12 11.867 -7.621 -4.343 102 H VAL 13 H VAL 13 13.678 -5.566 -8.138 103 HA VAL 13 HA VAL 13 12.540 -3.218 -9.564 104 HB VAL 13 HB VAL 13 14.494 -5.308 -10.566 105 HG11 VAL 13 1HG1 VAL 13 13.280 -2.801 -11.708 106 HG12 VAL 13 2HG1 VAL 13 13.475 -4.380 -12.467 107 HG13 VAL 13 3HG1 VAL 13 14.875 -3.333 -12.238 108 HG21 VAL 13 1HG2 VAL 13 15.357 -2.513 -10.147 109 HG22 VAL 13 2HG2 VAL 13 16.208 -4.017 -9.794 110 HG23 VAL 13 3HG2 VAL 13 15.000 -3.401 -8.666 111 H VAL 14 H VAL 14 10.850 -3.498 -10.936 112 HA VAL 14 HA VAL 14 10.040 -6.293 -11.605 113 HB VAL 14 HB VAL 14 8.559 -5.541 -9.841 114 HG11 VAL 14 1HG1 VAL 14 8.709 -3.224 -9.710 115 HG12 VAL 14 2HG1 VAL 14 7.142 -3.402 -10.501 116 HG13 VAL 14 3HG1 VAL 14 8.572 -3.012 -11.456 117 HG21 VAL 14 1HG2 VAL 14 6.426 -5.679 -10.983 118 HG22 VAL 14 2HG2 VAL 14 7.567 -6.695 -11.862 119 HG23 VAL 14 3HG2 VAL 14 7.138 -5.103 -12.488 120 H ALA 15 H ALA 15 8.736 -6.428 -13.595 121 HA ALA 15 HA ALA 15 9.726 -4.615 -15.636 122 HB1 ALA 15 1HB ALA 15 8.727 -6.061 -17.176 123 HB2 ALA 15 2HB ALA 15 7.409 -6.472 -16.079 124 HB3 ALA 15 3HB ALA 15 9.018 -7.147 -15.817 125 H ALA 16 H ALA 16 8.895 -2.495 -15.152 126 HA ALA 16 HA ALA 16 6.165 -2.019 -15.994 127 HB1 ALA 16 1HB ALA 16 6.679 -1.396 -13.088 128 HB2 ALA 16 2HB ALA 16 6.013 -2.955 -13.574 129 HB3 ALA 16 3HB ALA 16 5.137 -1.469 -13.942 130 H SER 17 H SER 17 5.650 0.330 -15.823 131 HA SER 17 HA SER 17 8.150 1.949 -15.845 132 HB2 SER 17 2HB SER 17 5.436 2.550 -17.064 133 HB3 SER 17 1HB SER 17 6.871 3.560 -17.205 134 HG SER 17 HG SER 17 7.455 2.330 -18.793 135 H VAL 18 H VAL 18 8.174 3.895 -14.582 136 HA VAL 18 HA VAL 18 6.875 3.832 -12.104 137 HB VAL 18 HB VAL 18 7.509 6.196 -11.889 138 HG11 VAL 18 1HG1 VAL 18 9.790 5.208 -13.472 139 HG12 VAL 18 2HG1 VAL 18 9.181 4.058 -12.282 140 HG13 VAL 18 3HG1 VAL 18 9.717 5.659 -11.769 141 HG21 VAL 18 1HG2 VAL 18 8.632 7.217 -13.964 142 HG22 VAL 18 2HG2 VAL 18 6.872 7.120 -13.994 143 HG23 VAL 18 3HG2 VAL 18 7.834 5.942 -14.885 144 H GLU 19 H GLU 19 5.884 5.556 -15.059 145 HA GLU 19 HA GLU 19 3.531 6.734 -13.947 146 HB2 GLU 19 2HB GLU 19 4.535 7.342 -16.168 147 HB3 GLU 19 1HB GLU 19 3.935 5.810 -16.799 148 HG2 GLU 19 2HG GLU 19 1.624 6.480 -16.155 149 HG3 GLU 19 1HG GLU 19 2.252 8.044 -15.636 150 H HIS 20 H HIS 20 4.156 3.606 -15.481 151 HA HIS 20 HA HIS 20 1.432 2.692 -15.455 152 HB2 HIS 20 2HB HIS 20 2.966 1.487 -16.841 153 HB3 HIS 20 1HB HIS 20 4.067 1.209 -15.487 154 HD1 HIS 20 1HD HIS 20 1.005 -0.107 -17.104 155 HD2 HIS 20 2HD HIS 20 3.012 -0.661 -13.481 156 HE1 HIS 20 1HE HIS 20 -0.000 -2.162 -16.023 157 HE2 HIS 20 2HE HIS 20 1.229 -2.524 -13.844 158 H CYS 21 H CYS 21 4.131 2.310 -13.200 159 HA CYS 21 HA CYS 21 3.018 0.545 -11.356 160 HB2 CYS 21 2HB CYS 21 4.689 3.008 -10.791 161 HB3 CYS 21 1HB CYS 21 4.471 1.653 -9.690 162 HG CYS 21 HG CYS 21 6.420 0.670 -10.866 163 H PHE 22 H PHE 22 2.641 4.082 -11.475 164 HA PHE 22 HA PHE 22 0.738 3.965 -9.258 165 HB2 PHE 22 2HB PHE 22 2.239 6.056 -10.609 166 HB3 PHE 22 1HB PHE 22 0.557 6.523 -10.303 167 HD1 PHE 22 1HD PHE 22 3.659 5.243 -8.736 168 HD2 PHE 22 2HD PHE 22 -0.289 6.796 -8.078 169 HE1 PHE 22 1HE PHE 22 4.132 5.412 -6.313 170 HE2 PHE 22 2HE PHE 22 0.183 6.978 -5.650 171 HZ PHE 22 HZ PHE 22 2.395 6.277 -4.774 172 H GLU 23 H GLU 23 0.584 4.122 -12.753 173 HA GLU 23 HA GLU 23 -2.109 5.014 -12.982 174 HB2 GLU 23 2HB GLU 23 -0.599 4.725 -14.933 175 HB3 GLU 23 1HB GLU 23 -0.676 2.981 -14.699 176 HG2 GLU 23 2HG GLU 23 -3.131 3.052 -15.000 177 HG3 GLU 23 1HG GLU 23 -3.027 4.787 -15.304 178 H VAL 24 H VAL 24 -0.713 1.799 -12.459 179 HA VAL 24 HA VAL 24 -3.232 0.420 -12.480 180 HB VAL 24 HB VAL 24 -0.545 -0.297 -11.265 181 HG11 VAL 24 1HG1 VAL 24 -1.694 -1.888 -10.151 182 HG12 VAL 24 2HG1 VAL 24 -1.998 -2.620 -11.727 183 HG13 VAL 24 3HG1 VAL 24 -3.185 -1.529 -11.020 184 HG21 VAL 24 1HG2 VAL 24 -0.454 -0.196 -13.673 185 HG22 VAL 24 2HG2 VAL 24 -2.008 -1.017 -13.824 186 HG23 VAL 24 3HG2 VAL 24 -0.596 -1.901 -13.244 187 H PHE 25 H PHE 25 -1.248 1.853 -9.910 188 HA PHE 25 HA PHE 25 -2.674 0.913 -7.666 189 HB2 PHE 25 2HB PHE 25 -1.220 3.509 -8.193 190 HB3 PHE 25 1HB PHE 25 -1.931 3.139 -6.630 191 HD1 PHE 25 1HD PHE 25 0.391 3.367 -5.725 192 HD2 PHE 25 2HD PHE 25 -0.663 0.257 -8.505 193 HE1 PHE 25 1HE PHE 25 2.419 2.101 -5.098 194 HE2 PHE 25 2HE PHE 25 1.358 -0.988 -7.875 195 HZ PHE 25 HZ PHE 25 2.897 -0.079 -6.177 196 H THR 26 H THR 26 -3.260 3.791 -9.666 197 HA THR 26 HA THR 26 -5.665 4.419 -8.138 198 HB THR 26 HB THR 26 -5.881 6.286 -9.798 199 HG1 THR 26 1HG THR 26 -4.861 5.735 -11.574 200 HG21 THR 26 1HG2 THR 26 -3.471 5.824 -8.077 201 HG22 THR 26 2HG2 THR 26 -4.800 6.966 -7.853 202 HG23 THR 26 3HG2 THR 26 -3.553 7.287 -9.060 203 H SER 27 H SER 27 -5.009 2.225 -10.548 204 HA SER 27 HA SER 27 -7.583 2.605 -11.943 205 HB2 SER 27 2HB SER 27 -6.823 0.931 -13.456 206 HB3 SER 27 1HB SER 27 -5.424 1.933 -13.115 207 HG SER 27 HG SER 27 -4.895 -0.257 -12.917 208 H ARG 28 H ARG 28 -6.026 -0.345 -10.574 209 HA ARG 28 HA ARG 28 -8.325 -0.909 -8.882 210 HB2 ARG 28 2HB ARG 28 -9.023 -2.954 -10.142 211 HB3 ARG 28 1HB ARG 28 -9.378 -1.456 -10.989 212 HG2 ARG 28 2HG ARG 28 -6.717 -2.710 -11.517 213 HG3 ARG 28 1HG ARG 28 -8.125 -3.535 -12.174 214 HD2 ARG 28 2HD ARG 28 -8.252 -0.664 -12.668 215 HD3 ARG 28 1HD ARG 28 -6.784 -1.377 -13.323 216 HE ARG 28 HE ARG 28 -9.511 -1.907 -14.243 217 HH11 ARG 28 1HH1 ARG 28 -9.654 -3.259 -16.049 218 HH12 ARG 28 2HH1 ARG 28 -8.266 -4.168 -16.546 219 HH21 ARG 28 1HH2 ARG 28 -6.236 -2.958 -14.008 220 HH22 ARG 28 2HH2 ARG 28 -6.332 -3.998 -15.390 221 HA PRO 29 HA PRO 29 -4.151 -3.085 -8.093 222 HB2 PRO 29 2HB PRO 29 -4.342 -2.494 -5.348 223 HB3 PRO 29 1HB PRO 29 -3.324 -1.658 -6.534 224 HG2 PRO 29 2HG PRO 29 -5.964 -0.892 -5.434 225 HG3 PRO 29 1HG PRO 29 -4.604 0.129 -5.931 226 HD2 PRO 29 2HD PRO 29 -6.811 -0.097 -7.464 227 HD3 PRO 29 1HD PRO 29 -5.199 0.061 -8.184 228 H ALA 30 H ALA 30 -7.335 -3.189 -6.544 229 HA ALA 30 HA ALA 30 -6.839 -5.663 -5.109 230 HB1 ALA 30 1HB ALA 30 -9.370 -4.225 -5.930 231 HB2 ALA 30 2HB ALA 30 -8.654 -4.324 -4.321 232 HB3 ALA 30 3HB ALA 30 -9.394 -5.750 -5.046 233 H ASP 31 H ASP 31 -8.334 -4.867 -8.214 234 HA ASP 31 HA ASP 31 -9.078 -7.559 -8.887 235 HB2 ASP 31 2HB ASP 31 -8.558 -5.136 -10.624 236 HB3 ASP 31 1HB ASP 31 -9.237 -6.649 -11.219 237 H TRP 32 H TRP 32 -6.006 -6.156 -8.641 238 HA TRP 32 HA TRP 32 -4.416 -6.890 -10.708 239 HB2 TRP 32 2HB TRP 32 -4.053 -7.241 -7.770 240 HB3 TRP 32 1HB TRP 32 -2.903 -8.059 -8.816 241 HD1 TRP 32 HD TRP 32 -2.619 -5.765 -11.064 242 HE1 TRP 32 1HE TRP 32 -1.365 -3.610 -10.471 243 HE3 TRP 32 3HE TRP 32 -2.936 -5.930 -5.980 244 HZ2 TRP 32 2HZ TRP 32 -0.590 -2.143 -8.155 245 HZ3 TRP 32 3HZ TRP 32 -1.923 -4.143 -4.603 246 HH2 TRP 32 HH TRP 32 -0.749 -2.250 -5.676 247 H TRP 33 H TRP 33 -5.579 -9.299 -8.317 248 HA TRP 33 HA TRP 33 -4.560 -11.486 -9.974 249 HB2 TRP 33 2HB TRP 33 -6.024 -12.813 -8.206 250 HB3 TRP 33 1HB TRP 33 -4.482 -12.096 -7.738 251 HD1 TRP 33 HD TRP 33 -4.509 -10.252 -5.944 252 HE1 TRP 33 1HE TRP 33 -6.360 -9.063 -4.601 253 HE3 TRP 33 3HE TRP 33 -8.634 -11.953 -8.429 254 HZ2 TRP 33 2HZ TRP 33 -9.211 -8.862 -4.582 255 HZ3 TRP 33 3HZ TRP 33 -10.903 -11.247 -7.727 256 HH2 TRP 33 HH TRP 33 -11.198 -9.705 -5.808 257 HA PRO 34 HA PRO 34 -8.203 -12.080 -12.403 258 HB2 PRO 34 2HB PRO 34 -8.146 -14.790 -12.797 259 HB3 PRO 34 1HB PRO 34 -7.041 -13.664 -13.608 260 HG2 PRO 34 2HG PRO 34 -6.568 -15.411 -11.248 261 HG3 PRO 34 1HG PRO 34 -5.487 -15.009 -12.593 262 HD2 PRO 34 2HD PRO 34 -5.299 -13.839 -10.117 263 HD3 PRO 34 1HD PRO 34 -4.787 -13.038 -11.620 264 HA PRO 35 HA PRO 35 -11.558 -13.171 -9.716 265 HB2 PRO 35 2HB PRO 35 -13.415 -14.044 -11.573 266 HB3 PRO 35 1HB PRO 35 -13.078 -12.341 -11.212 267 HG2 PRO 35 2HG PRO 35 -12.137 -14.019 -13.474 268 HG3 PRO 35 1HG PRO 35 -12.589 -12.307 -13.446 269 HD2 PRO 35 2HD PRO 35 -9.991 -13.137 -13.490 270 HD3 PRO 35 1HD PRO 35 -10.502 -11.627 -12.702 271 H SER 36 H SER 36 -10.353 -15.560 -11.981 272 HA SER 36 HA SER 36 -11.865 -17.817 -11.159 273 HB2 SER 36 2HB SER 36 -8.954 -17.785 -12.002 274 HB3 SER 36 1HB SER 36 -10.049 -19.163 -12.069 275 HG SER 36 HG SER 36 -9.661 -17.308 -13.898 276 H HIS 37 H HIS 37 -8.915 -16.393 -9.776 277 HA HIS 37 HA HIS 37 -9.403 -18.045 -7.338 278 HB2 HIS 37 2HB HIS 37 -6.703 -17.535 -8.624 279 HB3 HIS 37 1HB HIS 37 -6.968 -18.379 -7.098 280 HD1 HIS 37 1HD HIS 37 -8.652 -20.563 -7.342 281 HD2 HIS 37 2HD HIS 37 -6.758 -19.228 -10.811 282 HE1 HIS 37 1HE HIS 37 -8.782 -22.467 -9.009 283 HE2 HIS 37 2HE HIS 37 -7.633 -21.665 -11.124 284 H VAL 38 H VAL 38 -8.788 -17.003 -5.373 285 HA VAL 38 HA VAL 38 -8.104 -14.099 -5.671 286 HB VAL 38 HB VAL 38 -9.847 -15.400 -3.554 287 HG11 VAL 38 1HG1 VAL 38 -9.146 -12.508 -4.137 288 HG12 VAL 38 2HG1 VAL 38 -8.653 -13.439 -2.722 289 HG13 VAL 38 3HG1 VAL 38 -10.352 -13.033 -2.962 290 HG21 VAL 38 1HG2 VAL 38 -11.598 -15.081 -4.938 291 HG22 VAL 38 2HG2 VAL 38 -10.457 -14.676 -6.219 292 HG23 VAL 38 3HG2 VAL 38 -11.130 -13.401 -5.203 293 H LEU 39 H LEU 39 -6.112 -13.705 -4.846 294 HA LEU 39 HA LEU 39 -4.794 -15.616 -3.081 295 HB2 LEU 39 2HB LEU 39 -3.570 -14.284 -4.806 296 HB3 LEU 39 1HB LEU 39 -3.911 -12.827 -3.873 297 HG LEU 39 HG LEU 39 -2.766 -13.890 -1.905 298 HD11 LEU 39 1HD1 LEU 39 -2.687 -16.124 -3.812 299 HD12 LEU 39 2HD1 LEU 39 -2.515 -16.138 -2.057 300 HD13 LEU 39 3HD1 LEU 39 -1.122 -15.781 -3.077 301 HD21 LEU 39 1HD2 LEU 39 -0.425 -13.825 -3.093 302 HD22 LEU 39 2HD2 LEU 39 -1.398 -12.355 -3.026 303 HD23 LEU 39 3HD2 LEU 39 -1.358 -13.320 -4.502 304 H VAL 40 H VAL 40 -6.207 -12.378 -2.721 305 HA VAL 40 HA VAL 40 -5.383 -11.966 -0.010 306 HB VAL 40 HB VAL 40 -6.182 -10.103 -1.349 307 HG11 VAL 40 1HG1 VAL 40 -8.553 -9.973 -2.033 308 HG12 VAL 40 2HG1 VAL 40 -8.821 -11.591 -1.391 309 HG13 VAL 40 3HG1 VAL 40 -7.743 -11.353 -2.766 310 HG21 VAL 40 1HG2 VAL 40 -8.196 -10.703 0.835 311 HG22 VAL 40 2HG2 VAL 40 -7.768 -9.111 0.215 312 HG23 VAL 40 3HG2 VAL 40 -6.583 -10.054 1.119 313 H LYS 41 H LYS 41 -6.311 -12.607 1.919 314 HA LYS 41 HA LYS 41 -8.005 -14.903 1.967 315 HB2 LYS 41 2HB LYS 41 -6.468 -14.216 3.815 316 HB3 LYS 41 1HB LYS 41 -7.579 -12.902 4.191 317 HG2 LYS 41 2HG LYS 41 -9.394 -14.553 4.549 318 HG3 LYS 41 1HG LYS 41 -8.249 -15.857 4.232 319 HD2 LYS 41 2HD LYS 41 -6.842 -15.005 6.126 320 HD3 LYS 41 1HD LYS 41 -8.117 -13.840 6.491 321 HE2 LYS 41 2HE LYS 41 -9.613 -16.071 6.406 322 HE3 LYS 41 1HE LYS 41 -8.077 -16.792 6.888 323 HZ1 LYS 41 1HZ LYS 41 -9.037 -14.376 8.259 324 HZ2 LYS 41 2HZ LYS 41 -8.026 -15.614 8.837 325 HZ3 LYS 41 3HZ LYS 41 -9.695 -15.883 8.676 326 H LYS 42 H LYS 42 -8.731 -11.437 2.329 327 HA LYS 42 HA LYS 42 -11.619 -12.119 2.543 328 HB2 LYS 42 2HB LYS 42 -11.969 -9.819 3.214 329 HB3 LYS 42 1HB LYS 42 -10.612 -10.456 4.143 330 HG2 LYS 42 2HG LYS 42 -9.049 -9.427 2.496 331 HG3 LYS 42 1HG LYS 42 -10.432 -8.712 1.668 332 HD2 LYS 42 2HD LYS 42 -11.059 -7.661 3.907 333 HD3 LYS 42 1HD LYS 42 -9.465 -8.158 4.479 334 HE2 LYS 42 2HE LYS 42 -8.446 -6.916 2.557 335 HE3 LYS 42 1HE LYS 42 -10.054 -6.325 2.137 336 HZ1 LYS 42 1HZ LYS 42 -9.637 -5.897 4.871 337 HZ2 LYS 42 2HZ LYS 42 -9.833 -4.741 3.643 338 HZ3 LYS 42 3HZ LYS 42 -8.280 -5.305 4.042 339 H GLU 43 H GLU 43 -13.044 -11.645 0.890 340 HA GLU 43 HA GLU 43 -11.940 -11.185 -1.739 341 HB2 GLU 43 2HB GLU 43 -14.806 -11.157 -0.778 342 HB3 GLU 43 1HB GLU 43 -14.308 -11.173 -2.468 343 HG2 GLU 43 2HG GLU 43 -13.100 -13.310 -2.064 344 HG3 GLU 43 1HG GLU 43 -13.695 -13.306 -0.403 345 H ARG 44 H ARG 44 -11.466 -9.253 -2.640 346 HA ARG 44 HA ARG 44 -12.363 -6.773 -1.326 347 HB2 ARG 44 2HB ARG 44 -10.592 -7.250 -3.747 348 HB3 ARG 44 1HB ARG 44 -10.921 -5.666 -3.041 349 HG2 ARG 44 2HG ARG 44 -10.007 -6.477 -0.867 350 HG3 ARG 44 1HG ARG 44 -9.598 -8.008 -1.636 351 HD2 ARG 44 2HD ARG 44 -8.234 -6.671 -3.312 352 HD3 ARG 44 1HD ARG 44 -8.477 -5.272 -2.264 353 HE ARG 44 HE ARG 44 -6.653 -7.467 -1.758 354 HH11 ARG 44 1HH1 ARG 44 -5.544 -7.410 0.210 355 HH12 ARG 44 2HH1 ARG 44 -6.108 -6.372 1.477 356 HH21 ARG 44 1HH2 ARG 44 -8.782 -5.145 -0.358 357 HH22 ARG 44 2HH2 ARG 44 -7.941 -5.090 1.156 358 H ALA 45 H ALA 45 -13.841 -5.325 -2.253 359 HA ALA 45 HA ALA 45 -15.401 -6.435 -4.545 360 HB1 ALA 45 1HB ALA 45 -17.016 -6.220 -2.952 361 HB2 ALA 45 2HB ALA 45 -17.016 -4.535 -3.478 362 HB3 ALA 45 3HB ALA 45 -16.100 -5.013 -2.049 363 H GLY 46 H GLY 46 -14.284 -3.299 -3.206 364 HA2 GLY 46 2HA GLY 46 -13.846 -2.353 -5.964 365 HA3 GLY 46 1HA GLY 46 -15.094 -1.496 -5.069 366 H LEU 47 H LEU 47 -13.077 0.070 -5.818 367 HA LEU 47 HA LEU 47 -11.800 0.731 -3.264 368 HB2 LEU 47 2HB LEU 47 -9.654 0.973 -5.066 369 HB3 LEU 47 1HB LEU 47 -9.791 -0.174 -3.736 370 HG LEU 47 HG LEU 47 -10.898 -1.789 -5.248 371 HD11 LEU 47 1HD1 LEU 47 -10.879 0.569 -7.020 372 HD12 LEU 47 2HD1 LEU 47 -11.936 -0.843 -7.045 373 HD13 LEU 47 3HD1 LEU 47 -10.343 -0.918 -7.795 374 HD21 LEU 47 1HD2 LEU 47 -8.631 -2.223 -5.160 375 HD22 LEU 47 2HD2 LEU 47 -8.203 -0.647 -5.806 376 HD23 LEU 47 3HD2 LEU 47 -8.812 -1.902 -6.884 377 H ALA 48 H ALA 48 -11.551 2.934 -3.072 378 HA ALA 48 HA ALA 48 -12.255 4.542 -5.475 379 HB1 ALA 48 1HB ALA 48 -12.889 6.287 -4.001 380 HB2 ALA 48 2HB ALA 48 -11.947 5.620 -2.670 381 HB3 ALA 48 3HB ALA 48 -13.434 4.825 -3.182 382 H PHE 49 H PHE 49 -10.721 5.854 -6.421 383 HA PHE 49 HA PHE 49 -8.149 6.252 -4.965 384 HB2 PHE 49 2HB PHE 49 -8.671 4.690 -7.402 385 HB3 PHE 49 1HB PHE 49 -7.337 5.831 -7.533 386 HD1 PHE 49 1HD PHE 49 -8.472 2.692 -6.151 387 HD2 PHE 49 2HD PHE 49 -5.469 5.740 -5.836 388 HE1 PHE 49 1HE PHE 49 -6.976 1.097 -4.985 389 HE2 PHE 49 2HE PHE 49 -3.970 4.144 -4.669 390 HZ PHE 49 HZ PHE 49 -4.723 1.822 -4.260 391 H GLU 50 H GLU 50 -7.701 8.409 -5.027 392 HA GLU 50 HA GLU 50 -8.260 9.843 -7.575 393 HB2 GLU 50 2HB GLU 50 -8.508 11.693 -5.420 394 HB3 GLU 50 1HB GLU 50 -9.720 11.234 -6.603 395 HG2 GLU 50 2HG GLU 50 -10.463 9.386 -5.247 396 HG3 GLU 50 1HG GLU 50 -9.128 9.606 -4.117 397 HA PRO 51 HA PRO 51 -3.983 11.027 -6.847 398 HB2 PRO 51 2HB PRO 51 -3.602 12.710 -8.893 399 HB3 PRO 51 1HB PRO 51 -3.938 10.989 -9.181 400 HG2 PRO 51 2HG PRO 51 -5.787 13.329 -9.340 401 HG3 PRO 51 1HG PRO 51 -5.622 11.950 -10.441 402 HD2 PRO 51 2HD PRO 51 -7.570 12.127 -8.481 403 HD3 PRO 51 1HD PRO 51 -6.965 10.601 -9.167 404 H PHE 52 H PHE 52 -2.834 12.646 -5.734 405 HA PHE 52 HA PHE 52 -2.999 15.376 -5.796 406 HB2 PHE 52 2HB PHE 52 -4.549 15.779 -3.711 407 HB3 PHE 52 1HB PHE 52 -5.251 15.681 -5.316 408 HD1 PHE 52 1HD PHE 52 -7.408 15.144 -4.143 409 HD2 PHE 52 2HD PHE 52 -4.007 12.523 -3.905 410 HE1 PHE 52 1HE PHE 52 -8.869 13.290 -3.387 411 HE2 PHE 52 2HE PHE 52 -5.477 10.678 -3.179 412 HZ PHE 52 HZ PHE 52 -7.891 11.056 -2.914 413 H VAL 53 H VAL 53 -2.472 16.469 -3.599 414 HA VAL 53 HA VAL 53 -0.428 14.810 -2.269 415 HB VAL 53 HB VAL 53 0.624 16.811 -2.206 416 HG11 VAL 53 1HG1 VAL 53 -0.892 17.516 -4.036 417 HG12 VAL 53 2HG1 VAL 53 -0.437 18.865 -2.995 418 HG13 VAL 53 3HG1 VAL 53 -2.031 18.127 -2.835 419 HG21 VAL 53 1HG2 VAL 53 -1.657 17.766 -0.442 420 HG22 VAL 53 2HG2 VAL 53 -0.036 18.449 -0.524 421 HG23 VAL 53 3HG2 VAL 53 -0.272 16.830 0.129 422 H GLY 54 H GLY 54 -0.595 14.192 -0.035 423 HA2 GLY 54 2HA GLY 54 -1.786 13.697 1.960 424 HA3 GLY 54 1HA GLY 54 -2.724 15.170 1.668 425 H GLY 55 H GLY 55 -2.299 12.698 -0.697 426 HA2 GLY 55 2HA GLY 55 -5.095 12.510 -1.228 427 HA3 GLY 55 1HA GLY 55 -3.829 11.522 -1.948 428 H ARG 56 H ARG 56 -6.015 10.161 -1.607 429 HA ARG 56 HA ARG 56 -5.342 8.346 0.624 430 HB2 ARG 56 2HB ARG 56 -8.051 9.672 0.352 431 HB3 ARG 56 1HB ARG 56 -7.712 8.308 1.415 432 HG2 ARG 56 2HG ARG 56 -5.937 9.698 2.524 433 HG3 ARG 56 1HG ARG 56 -6.471 11.069 1.551 434 HD2 ARG 56 2HD ARG 56 -8.787 10.728 2.486 435 HD3 ARG 56 1HD ARG 56 -8.100 9.537 3.590 436 HE ARG 56 HE ARG 56 -7.208 11.318 4.853 437 HH11 ARG 56 1HH1 ARG 56 -6.815 13.509 5.253 438 HH12 ARG 56 2HH1 ARG 56 -7.074 14.665 3.989 439 HH21 ARG 56 1HH2 ARG 56 -8.093 12.298 1.669 440 HH22 ARG 56 2HH2 ARG 56 -7.798 13.980 1.960 441 H TYR 57 H TYR 57 -5.962 6.239 0.230 442 HA TYR 57 HA TYR 57 -7.463 5.712 -2.304 443 HB2 TYR 57 2HB TYR 57 -5.355 3.909 -1.088 444 HB3 TYR 57 1HB TYR 57 -6.112 3.753 -2.668 445 HD1 TYR 57 1HD TYR 57 -3.086 4.248 -1.534 446 HD2 TYR 57 2HD TYR 57 -6.005 6.565 -3.680 447 HE1 TYR 57 1HE TYR 57 -1.281 5.627 -2.519 448 HE2 TYR 57 2HE TYR 57 -4.203 7.945 -4.647 449 HH TYR 57 HH TYR 57 -1.818 7.780 -5.121 450 H TYR 58 H TYR 58 -8.911 3.839 -2.183 451 HA TYR 58 HA TYR 58 -9.422 2.913 0.612 452 HB2 TYR 58 2HB TYR 58 -11.566 3.835 -1.309 453 HB3 TYR 58 1HB TYR 58 -11.777 3.337 0.369 454 HD1 TYR 58 1HD TYR 58 -9.881 5.802 -1.722 455 HD2 TYR 58 2HD TYR 58 -11.703 4.922 2.069 456 HE1 TYR 58 1HE TYR 58 -9.390 8.100 -0.957 457 HE2 TYR 58 2HE TYR 58 -11.223 7.221 2.837 458 HH TYR 58 HH TYR 58 -10.240 9.158 2.349 459 H GLU 59 H GLU 59 -10.675 0.990 0.773 460 HA GLU 59 HA GLU 59 -10.870 -0.643 -1.720 461 HB2 GLU 59 2HB GLU 59 -9.910 -1.599 0.997 462 HB3 GLU 59 1HB GLU 59 -10.131 -2.609 -0.431 463 HG2 GLU 59 2HG GLU 59 -8.455 -1.225 -1.639 464 HG3 GLU 59 1HG GLU 59 -8.194 -0.292 -0.165 465 H TRP 60 H TRP 60 -12.633 -2.140 -1.695 466 HA TRP 60 HA TRP 60 -14.665 -1.576 0.437 467 HB2 TRP 60 2HB TRP 60 -14.806 -1.710 -2.479 468 HB3 TRP 60 1HB TRP 60 -15.988 -2.759 -1.705 469 HD1 TRP 60 HD TRP 60 -17.171 -1.307 0.574 470 HE1 TRP 60 1HE TRP 60 -18.308 1.004 0.351 471 HE3 TRP 60 3HE TRP 60 -15.027 0.325 -3.763 472 HZ2 TRP 60 2HZ TRP 60 -18.287 3.257 -1.435 473 HZ3 TRP 60 3HZ TRP 60 -15.590 2.541 -4.700 474 HH2 TRP 60 HH TRP 60 -17.213 4.007 -3.548 475 H ASP 61 H ASP 61 -15.267 -3.327 1.656 476 HA ASP 61 HA ASP 61 -14.554 -6.037 0.578 477 HB2 ASP 61 2HB ASP 61 -14.589 -5.101 3.459 478 HB3 ASP 61 1HB ASP 61 -14.288 -6.758 2.938 479 H ILE 62 H ILE 62 -16.207 -7.542 0.552 480 HA ILE 62 HA ILE 62 -18.888 -6.704 0.666 481 HB ILE 62 HB ILE 62 -19.500 -9.021 0.527 482 HG12 ILE 62 2HG1 ILE 62 -18.153 -9.876 2.408 483 HG13 ILE 62 1HG1 ILE 62 -17.919 -10.849 0.968 484 HG21 ILE 62 1HG2 ILE 62 -17.125 -9.596 -0.905 485 HG22 ILE 62 2HG2 ILE 62 -17.431 -7.867 -1.063 486 HG23 ILE 62 3HG2 ILE 62 -18.667 -9.029 -1.544 487 HD11 ILE 62 1HD1 ILE 62 -16.028 -8.839 2.192 488 HD12 ILE 62 2HD1 ILE 62 -15.854 -9.358 0.518 489 HD13 ILE 62 3HD1 ILE 62 -15.738 -10.534 1.821 490 H ASP 63 H ASP 63 -16.749 -7.631 3.230 491 HA ASP 63 HA ASP 63 -19.037 -7.687 5.143 492 HB2 ASP 63 2HB ASP 63 -16.149 -8.573 5.442 493 HB3 ASP 63 1HB ASP 63 -17.330 -8.583 6.753 494 H GLY 64 H GLY 64 -16.266 -5.905 4.083 495 HA2 GLY 64 2HA GLY 64 -16.598 -4.009 6.361 496 HA3 GLY 64 1HA GLY 64 -15.101 -4.194 5.453 497 H THR 65 H THR 65 -17.280 -1.997 5.922 498 HA THR 65 HA THR 65 -18.365 -1.285 3.381 499 HB THR 65 HB THR 65 -18.938 -0.321 5.690 500 HG1 THR 65 1HG THR 65 -19.924 1.027 4.449 501 HG21 THR 65 1HG2 THR 65 -17.527 1.123 6.741 502 HG22 THR 65 2HG2 THR 65 -16.958 1.828 5.229 503 HG23 THR 65 3HG2 THR 65 -16.290 0.296 5.796 504 H GLU 66 H GLU 66 -17.238 1.478 3.419 505 HA GLU 66 HA GLU 66 -14.782 0.895 1.831 506 HB2 GLU 66 2HB GLU 66 -16.802 2.329 0.999 507 HB3 GLU 66 1HB GLU 66 -16.143 3.567 2.048 508 HG2 GLU 66 2HG GLU 66 -13.956 3.310 0.894 509 HG3 GLU 66 1HG GLU 66 -14.731 2.209 -0.241 510 H ILE 67 H ILE 67 -12.811 1.453 2.706 511 HA ILE 67 HA ILE 67 -12.744 3.576 4.802 512 HB ILE 67 HB ILE 67 -11.955 0.708 5.124 513 HG12 ILE 67 2HG1 ILE 67 -14.038 2.048 6.076 514 HG13 ILE 67 1HG1 ILE 67 -13.227 0.825 7.044 515 HG21 ILE 67 1HG2 ILE 67 -10.566 1.437 7.120 516 HG22 ILE 67 2HG2 ILE 67 -10.584 3.061 6.442 517 HG23 ILE 67 3HG2 ILE 67 -9.836 1.740 5.546 518 HD11 ILE 67 1HD1 ILE 67 -12.411 3.731 7.140 519 HD12 ILE 67 2HD1 ILE 67 -12.029 2.455 8.296 520 HD13 ILE 67 3HD1 ILE 67 -13.673 3.081 8.186 521 H VAL 68 H VAL 68 -10.477 4.339 5.226 522 HA VAL 68 HA VAL 68 -8.915 4.335 2.706 523 HB VAL 68 HB VAL 68 -9.347 6.502 3.818 524 HG11 VAL 68 1HG1 VAL 68 -9.386 5.451 6.141 525 HG12 VAL 68 2HG1 VAL 68 -8.534 6.990 6.012 526 HG13 VAL 68 3HG1 VAL 68 -7.624 5.481 6.081 527 HG21 VAL 68 1HG2 VAL 68 -6.441 5.676 4.061 528 HG22 VAL 68 2HG2 VAL 68 -7.049 7.315 3.827 529 HG23 VAL 68 3HG2 VAL 68 -7.227 6.116 2.545 530 H TRP 69 H TRP 69 -7.040 3.173 2.514 531 HA TRP 69 HA TRP 69 -6.045 1.805 4.970 532 HB2 TRP 69 2HB TRP 69 -6.248 1.013 2.105 533 HB3 TRP 69 1HB TRP 69 -4.897 0.371 3.041 534 HD1 TRP 69 HD TRP 69 -5.408 -1.328 4.956 535 HE1 TRP 69 1HE TRP 69 -7.527 -2.617 5.638 536 HE3 TRP 69 3HE TRP 69 -8.908 1.165 2.204 537 HZ2 TRP 69 2HZ TRP 69 -10.323 -2.621 5.093 538 HZ3 TRP 69 3HZ TRP 69 -11.290 0.499 2.314 539 HH2 TRP 69 HH TRP 69 -12.004 -1.390 3.747 540 H GLY 70 H GLY 70 -5.256 4.440 3.164 541 HA2 GLY 70 2HA GLY 70 -2.532 4.476 4.143 542 HA3 GLY 70 1HA GLY 70 -2.578 4.163 2.409 543 H ARG 71 H ARG 71 -1.326 6.395 2.879 544 HA ARG 71 HA ARG 71 -3.251 8.498 2.071 545 HB2 ARG 71 2HB ARG 71 -2.401 8.418 4.686 546 HB3 ARG 71 1HB ARG 71 -1.202 9.468 3.945 547 HG2 ARG 71 2HG ARG 71 -3.149 10.736 2.891 548 HG3 ARG 71 1HG ARG 71 -4.194 9.840 3.994 549 HD2 ARG 71 2HD ARG 71 -3.677 11.900 5.098 550 HD3 ARG 71 1HD ARG 71 -2.694 10.666 5.884 551 HE ARG 71 HE ARG 71 -1.266 11.915 3.697 552 HH11 ARG 71 1HH1 ARG 71 0.427 13.300 4.268 553 HH12 ARG 71 2HH1 ARG 71 0.525 13.904 5.888 554 HH21 ARG 71 1HH2 ARG 71 -2.323 12.244 6.963 555 HH22 ARG 71 2HH2 ARG 71 -1.031 13.306 7.414 556 H ILE 72 H ILE 72 -1.734 10.569 1.615 557 HA ILE 72 HA ILE 72 0.795 9.644 0.362 558 HB ILE 72 HB ILE 72 -1.407 11.233 -0.978 559 HG12 ILE 72 2HG1 ILE 72 -0.776 9.372 -2.757 560 HG13 ILE 72 1HG1 ILE 72 -0.165 8.521 -1.337 561 HG21 ILE 72 1HG2 ILE 72 1.485 10.830 -1.768 562 HG22 ILE 72 2HG2 ILE 72 0.639 12.359 -1.530 563 HG23 ILE 72 3HG2 ILE 72 0.235 11.334 -2.907 564 HD11 ILE 72 1HD1 ILE 72 -2.956 9.150 -2.107 565 HD12 ILE 72 2HD1 ILE 72 -2.573 9.356 -0.401 566 HD13 ILE 72 3HD1 ILE 72 -2.322 7.796 -1.174 567 H LEU 73 H LEU 73 2.245 11.577 -0.141 568 HA LEU 73 HA LEU 73 1.717 13.780 1.817 569 HB2 LEU 73 2HB LEU 73 4.239 12.361 1.008 570 HB3 LEU 73 1HB LEU 73 4.304 13.986 1.684 571 HG LEU 73 HG LEU 73 2.631 11.947 3.097 572 HD11 LEU 73 1HD1 LEU 73 4.940 10.937 2.553 573 HD12 LEU 73 2HD1 LEU 73 4.456 10.971 4.244 574 HD13 LEU 73 3HD1 LEU 73 5.594 12.170 3.630 575 HD21 LEU 73 1HD2 LEU 73 3.487 13.258 5.059 576 HD22 LEU 73 2HD2 LEU 73 2.625 14.251 3.885 577 HD23 LEU 73 3HD2 LEU 73 4.388 14.275 3.937 578 H GLU 74 H GLU 74 3.322 13.024 -1.255 579 HA GLU 74 HA GLU 74 2.274 15.302 -2.630 580 HB2 GLU 74 2HB GLU 74 3.884 16.473 -1.095 581 HB3 GLU 74 1HB GLU 74 5.191 15.532 -1.820 582 HG2 GLU 74 2HG GLU 74 4.569 16.455 -4.052 583 HG3 GLU 74 1HG GLU 74 3.352 17.463 -3.266 584 H TRP 75 H TRP 75 2.969 15.263 -4.871 585 HA TRP 75 HA TRP 75 4.356 12.720 -5.570 586 HB2 TRP 75 2HB TRP 75 3.187 12.852 -7.709 587 HB3 TRP 75 1HB TRP 75 2.024 12.994 -6.388 588 HD1 TRP 75 HD TRP 75 1.095 15.469 -5.832 589 HE1 TRP 75 1HE TRP 75 0.811 17.532 -7.350 590 HE3 TRP 75 3HE TRP 75 4.130 14.132 -9.716 591 HZ2 TRP 75 2HZ TRP 75 1.745 18.489 -9.877 592 HZ3 TRP 75 3HZ TRP 75 4.414 15.637 -11.664 593 HH2 TRP 75 HH TRP 75 3.227 17.812 -11.750 594 H ASP 76 H ASP 76 6.469 13.059 -6.056 595 HA ASP 76 HA ASP 76 7.327 15.629 -7.198 596 HB2 ASP 76 2HB ASP 76 8.584 13.667 -5.616 597 HB3 ASP 76 1HB ASP 76 9.390 13.587 -7.186 598 HA PRO 77 HA PRO 77 6.495 14.706 -11.465 599 HB2 PRO 77 2HB PRO 77 9.443 15.301 -11.645 600 HB3 PRO 77 1HB PRO 77 8.139 15.774 -12.758 601 HG2 PRO 77 2HG PRO 77 9.074 17.429 -10.852 602 HG3 PRO 77 1HG PRO 77 7.387 17.444 -11.392 603 HD2 PRO 77 2HD PRO 77 8.458 16.652 -8.794 604 HD3 PRO 77 1HD PRO 77 6.757 16.863 -9.271 605 HA PRO 78 HA PRO 78 7.060 10.424 -12.316 606 HB2 PRO 78 2HB PRO 78 8.520 11.428 -14.742 607 HB3 PRO 78 1HB PRO 78 7.313 10.134 -14.615 608 HG2 PRO 78 2HG PRO 78 6.715 12.649 -15.431 609 HG3 PRO 78 1HG PRO 78 5.562 11.581 -14.618 610 HD2 PRO 78 2HD PRO 78 6.729 14.054 -13.627 611 HD3 PRO 78 1HD PRO 78 5.468 13.050 -12.878 612 H HIS 79 H HIS 79 8.682 10.528 -10.442 613 HA HIS 79 HA HIS 79 11.072 9.158 -11.174 614 HB2 HIS 79 2HB HIS 79 11.687 11.515 -11.900 615 HB3 HIS 79 1HB HIS 79 11.585 11.978 -10.199 616 HD1 HIS 79 1HD HIS 79 12.807 9.405 -8.957 617 HD2 HIS 79 2HD HIS 79 14.478 11.462 -12.178 618 HE1 HIS 79 1HE HIS 79 15.258 8.773 -9.014 619 HE2 HIS 79 2HE HIS 79 16.290 10.027 -10.965 620 H ARG 80 H ARG 80 9.618 11.333 -8.697 621 HA ARG 80 HA ARG 80 10.113 9.190 -6.717 622 HB2 ARG 80 2HB ARG 80 12.200 10.475 -6.653 623 HB3 ARG 80 1HB ARG 80 11.289 11.968 -6.415 624 HG2 ARG 80 2HG ARG 80 10.457 11.177 -4.277 625 HG3 ARG 80 1HG ARG 80 11.201 9.596 -4.531 626 HD2 ARG 80 2HD ARG 80 12.675 10.841 -3.098 627 HD3 ARG 80 1HD ARG 80 13.433 10.777 -4.685 628 HE ARG 80 HE ARG 80 13.172 13.116 -4.840 629 HH11 ARG 80 1HH1 ARG 80 12.489 15.122 -4.058 630 HH12 ARG 80 2HH1 ARG 80 11.378 15.186 -2.730 631 HH21 ARG 80 1HH2 ARG 80 11.156 11.740 -2.405 632 HH22 ARG 80 2HH2 ARG 80 10.623 13.271 -1.795 633 H LEU 81 H LEU 81 8.960 9.525 -4.709 634 HA LEU 81 HA LEU 81 7.204 11.824 -4.404 635 HB2 LEU 81 2HB LEU 81 5.094 10.542 -4.575 636 HB3 LEU 81 1HB LEU 81 5.955 10.595 -6.114 637 HG LEU 81 HG LEU 81 7.042 8.372 -4.913 638 HD11 LEU 81 1HD1 LEU 81 4.068 8.215 -4.452 639 HD12 LEU 81 2HD1 LEU 81 5.172 8.739 -3.180 640 HD13 LEU 81 3HD1 LEU 81 5.327 7.124 -3.871 641 HD21 LEU 81 1HD2 LEU 81 4.642 8.587 -6.756 642 HD22 LEU 81 2HD2 LEU 81 5.610 7.131 -6.528 643 HD23 LEU 81 3HD2 LEU 81 6.336 8.567 -7.250 644 H ALA 82 H ALA 82 6.445 11.965 -2.300 645 HA ALA 82 HA ALA 82 7.279 9.760 -0.456 646 HB1 ALA 82 1HB ALA 82 7.093 11.525 1.323 647 HB2 ALA 82 2HB ALA 82 6.727 12.703 0.063 648 HB3 ALA 82 3HB ALA 82 8.302 11.911 0.098 649 H MET 83 H MET 83 5.650 9.070 1.172 650 HA MET 83 HA MET 83 2.933 10.142 0.684 651 HB2 MET 83 2HB MET 83 2.255 7.558 0.741 652 HB3 MET 83 1HB MET 83 2.643 8.387 -0.767 653 HG2 MET 83 2HG MET 83 4.855 7.515 -0.803 654 HG3 MET 83 1HG MET 83 4.763 7.006 0.884 655 HE1 MET 83 1HE MET 83 2.990 5.191 -2.859 656 HE2 MET 83 2HE MET 83 3.492 6.849 -2.535 657 HE3 MET 83 3HE MET 83 1.888 6.310 -2.045 658 H THR 84 H THR 84 1.493 9.902 2.400 659 HA THR 84 HA THR 84 2.720 8.910 4.935 660 HB THR 84 HB THR 84 0.508 10.889 4.353 661 HG1 THR 84 1HG THR 84 2.277 11.480 6.286 662 HG21 THR 84 1HG2 THR 84 0.243 10.954 6.886 663 HG22 THR 84 2HG2 THR 84 1.117 9.424 6.927 664 HG23 THR 84 3HG2 THR 84 -0.431 9.533 6.089 665 H TRP 85 H TRP 85 1.227 7.605 6.351 666 HA TRP 85 HA TRP 85 -0.630 5.982 4.648 667 HB2 TRP 85 2HB TRP 85 1.480 4.959 5.765 668 HB3 TRP 85 1HB TRP 85 0.561 5.082 7.266 669 HD1 TRP 85 HD TRP 85 -1.397 3.411 7.649 670 HE1 TRP 85 1HE TRP 85 -2.238 1.337 6.368 671 HE3 TRP 85 3HE TRP 85 1.206 3.953 3.290 672 HZ2 TRP 85 2HZ TRP 85 -1.854 0.076 3.829 673 HZ3 TRP 85 3HZ TRP 85 0.951 2.303 1.459 674 HH2 TRP 85 HH TRP 85 -0.575 0.366 1.722 675 H ARG 86 H ARG 86 -2.793 6.318 5.100 676 HA ARG 86 HA ARG 86 -3.473 7.130 7.910 677 HB2 ARG 86 2HB ARG 86 -4.019 8.852 6.211 678 HB3 ARG 86 1HB ARG 86 -5.035 7.681 5.371 679 HG2 ARG 86 2HG ARG 86 -6.425 7.441 7.402 680 HG3 ARG 86 1HG ARG 86 -5.417 8.632 8.226 681 HD2 ARG 86 2HD ARG 86 -6.999 9.152 5.691 682 HD3 ARG 86 1HD ARG 86 -7.485 9.651 7.311 683 HE ARG 86 HE ARG 86 -4.834 10.588 6.418 684 HH11 ARG 86 1HH1 ARG 86 -4.622 12.836 6.379 685 HH12 ARG 86 2HH1 ARG 86 -6.030 13.830 6.545 686 HH21 ARG 86 1HH2 ARG 86 -8.216 11.156 6.826 687 HH22 ARG 86 2HH2 ARG 86 -8.061 12.880 6.800 688 H ILE 87 H ILE 87 -4.216 5.368 8.972 689 HA ILE 87 HA ILE 87 -6.420 3.831 7.738 690 HB ILE 87 HB ILE 87 -4.229 2.656 7.217 691 HG12 ILE 87 2HG1 ILE 87 -5.930 1.012 9.092 692 HG13 ILE 87 1HG1 ILE 87 -6.576 1.578 7.551 693 HG21 ILE 87 1HG2 ILE 87 -2.966 1.675 8.964 694 HG22 ILE 87 2HG2 ILE 87 -4.239 1.950 10.153 695 HG23 ILE 87 3HG2 ILE 87 -3.298 3.309 9.537 696 HD11 ILE 87 1HD1 ILE 87 -5.512 -0.727 7.482 697 HD12 ILE 87 2HD1 ILE 87 -3.965 0.068 7.780 698 HD13 ILE 87 3HD1 ILE 87 -4.871 0.426 6.315 699 H ASP 88 H ASP 88 -7.598 2.544 9.388 700 HA ASP 88 HA ASP 88 -7.359 3.835 12.058 701 HB2 ASP 88 2HB ASP 88 -9.596 2.176 10.895 702 HB3 ASP 88 1HB ASP 88 -9.626 2.985 12.458 703 H GLY 89 H GLY 89 -7.639 2.440 13.969 704 HA2 GLY 89 2HA GLY 89 -5.876 0.183 13.931 705 HA3 GLY 89 1HA GLY 89 -6.930 0.624 15.275 706 H HIS 90 H HIS 90 -9.431 0.409 14.023 707 HA HIS 90 HA HIS 90 -9.550 -2.536 13.520 708 HB2 HIS 90 2HB HIS 90 -11.063 -0.747 15.229 709 HB3 HIS 90 1HB HIS 90 -12.138 -1.579 14.111 710 HD1 HIS 90 1HD HIS 90 -10.556 -2.057 17.294 711 HD2 HIS 90 2HD HIS 90 -11.458 -4.547 14.072 712 HE1 HIS 90 1HE HIS 90 -10.482 -4.431 18.181 713 HE2 HIS 90 2HE HIS 90 -11.029 -5.956 16.229 714 H TRP 91 H TRP 91 -8.986 -0.580 11.439 715 HA TRP 91 HA TRP 91 -9.712 -0.030 9.276 716 HB2 TRP 91 2HB TRP 91 -11.605 -2.347 9.801 717 HB3 TRP 91 1HB TRP 91 -11.339 -1.599 8.233 718 HD1 TRP 91 HD TRP 91 -8.808 -1.789 7.224 719 HE1 TRP 91 1HE TRP 91 -7.095 -3.695 7.470 720 HE3 TRP 91 3HE TRP 91 -10.686 -4.149 11.332 721 HZ2 TRP 91 2HZ TRP 91 -6.599 -5.945 9.187 722 HZ3 TRP 91 3HZ TRP 91 -9.590 -6.165 12.252 723 HH2 TRP 91 HH TRP 91 -7.544 -7.065 11.185 724 H GLN 92 H GLN 92 -11.019 1.096 11.745 725 HA GLN 92 HA GLN 92 -12.864 2.841 10.572 726 HB2 GLN 92 2HB GLN 92 -14.983 1.839 11.744 727 HB3 GLN 92 1HB GLN 92 -14.514 1.254 10.148 728 HG2 GLN 92 2HG GLN 92 -13.703 -0.748 10.967 729 HG3 GLN 92 1HG GLN 92 -13.385 -0.094 12.577 730 HE21 GLN 92 1HE2 GLN 92 -14.800 -2.484 12.467 731 HE22 GLN 92 2HE2 GLN 92 -16.435 -2.222 12.834 732 H SER 93 H SER 93 -11.239 3.794 12.187 733 HA SER 93 HA SER 93 -12.402 3.729 14.949 734 HB2 SER 93 2HB SER 93 -10.045 2.853 14.693 735 HB3 SER 93 1HB SER 93 -9.567 4.475 14.191 736 HG SER 93 HG SER 93 -10.800 5.018 16.286 737 H VAL 94 H VAL 94 -10.172 5.981 13.305 738 HA VAL 94 HA VAL 94 -12.178 8.146 13.776 739 HB VAL 94 HB VAL 94 -10.244 9.626 14.399 740 HG11 VAL 94 1HG1 VAL 94 -10.837 7.144 16.021 741 HG12 VAL 94 2HG1 VAL 94 -11.532 8.753 16.212 742 HG13 VAL 94 3HG1 VAL 94 -9.847 8.463 16.645 743 HG21 VAL 94 1HG2 VAL 94 -8.700 7.032 14.642 744 HG22 VAL 94 2HG2 VAL 94 -8.088 8.674 14.838 745 HG23 VAL 94 3HG2 VAL 94 -8.557 8.094 13.241 746 HA PRO 95 HA PRO 95 -11.441 9.217 9.541 747 HB2 PRO 95 2HB PRO 95 -11.628 11.983 9.707 748 HB3 PRO 95 1HB PRO 95 -13.010 10.878 9.593 749 HG2 PRO 95 2HG PRO 95 -11.864 12.238 11.969 750 HG3 PRO 95 1HG PRO 95 -13.551 11.860 11.583 751 HD2 PRO 95 2HD PRO 95 -12.115 10.414 13.384 752 HD3 PRO 95 1HD PRO 95 -13.393 9.690 12.385 753 H ASP 96 H ASP 96 -9.654 11.079 11.974 754 HA ASP 96 HA ASP 96 -7.411 11.375 10.020 755 HB2 ASP 96 2HB ASP 96 -8.049 12.909 12.548 756 HB3 ASP 96 1HB ASP 96 -6.588 13.144 11.587 757 H ASP 97 H ASP 97 -5.315 10.674 10.676 758 HA ASP 97 HA ASP 97 -5.362 8.803 12.990 759 HB2 ASP 97 2HB ASP 97 -3.580 8.982 10.553 760 HB3 ASP 97 1HB ASP 97 -3.302 7.870 11.893 761 H ASP 98 H ASP 98 -4.436 9.569 14.804 762 HA ASP 98 HA ASP 98 -2.531 11.804 14.702 763 HB2 ASP 98 2HB ASP 98 -3.706 10.199 16.979 764 HB3 ASP 98 1HB ASP 98 -2.611 11.562 17.198 765 H ARG 99 H ARG 99 -2.503 8.434 14.641 766 HA ARG 99 HA ARG 99 0.311 8.298 15.583 767 HB2 ARG 99 2HB ARG 99 -0.239 5.789 15.692 768 HB3 ARG 99 1HB ARG 99 -1.004 6.821 16.901 769 HG2 ARG 99 2HG ARG 99 -3.033 6.950 15.469 770 HG3 ARG 99 1HG ARG 99 -2.268 5.851 14.317 771 HD2 ARG 99 2HD ARG 99 -2.050 4.170 16.167 772 HD3 ARG 99 1HD ARG 99 -2.978 5.253 17.202 773 HE ARG 99 HE ARG 99 -4.367 4.703 14.719 774 HH11 ARG 99 1HH1 ARG 99 -6.197 3.384 14.871 775 HH12 ARG 99 2HH1 ARG 99 -6.443 2.427 16.293 776 HH21 ARG 99 1HH2 ARG 99 -3.543 3.517 17.851 777 HH22 ARG 99 2HH2 ARG 99 -4.940 2.502 17.979 778 H ALA 100 H ALA 100 -0.390 9.226 12.933 779 HA ALA 100 HA ALA 100 0.034 6.949 11.124 780 HB1 ALA 100 1HB ALA 100 -1.278 9.302 10.804 781 HB2 ALA 100 2HB ALA 100 -0.642 8.359 9.456 782 HB3 ALA 100 3HB ALA 100 0.281 9.719 10.093 783 H SER 101 H SER 101 1.898 6.634 9.868 784 HA SER 101 HA SER 101 4.347 7.972 10.923 785 HB2 SER 101 2HB SER 101 3.975 5.301 9.544 786 HB3 SER 101 1HB SER 101 5.536 5.975 9.999 787 HG SER 101 HG SER 101 4.969 5.837 12.123 788 H GLU 102 H GLU 102 6.160 8.063 9.198 789 HA GLU 102 HA GLU 102 4.966 9.153 6.685 790 HB2 GLU 102 2HB GLU 102 6.332 10.702 8.111 791 HB3 GLU 102 1HB GLU 102 7.719 9.647 7.849 792 HG2 GLU 102 2HG GLU 102 7.448 9.978 5.386 793 HG3 GLU 102 1HG GLU 102 6.163 11.137 5.722 794 H ILE 103 H ILE 103 5.636 8.339 4.717 795 HA ILE 103 HA ILE 103 7.663 6.137 4.785 796 HB ILE 103 HB ILE 103 5.160 6.288 3.078 797 HG12 ILE 103 2HG1 ILE 103 5.828 4.439 5.389 798 HG13 ILE 103 1HG1 ILE 103 4.763 5.842 5.515 799 HG21 ILE 103 1HG2 ILE 103 6.031 4.601 1.864 800 HG22 ILE 103 2HG2 ILE 103 6.448 3.700 3.321 801 HG23 ILE 103 3HG2 ILE 103 7.570 4.894 2.672 802 HD11 ILE 103 1HD1 ILE 103 3.394 3.867 5.153 803 HD12 ILE 103 2HD1 ILE 103 4.356 3.414 3.746 804 HD13 ILE 103 3HD1 ILE 103 3.346 4.859 3.695 805 H GLU 104 H GLU 104 9.222 6.226 3.214 806 HA GLU 104 HA GLU 104 9.001 8.459 1.229 807 HB2 GLU 104 2HB GLU 104 11.478 7.121 2.366 808 HB3 GLU 104 1HB GLU 104 11.474 8.430 1.183 809 HG2 GLU 104 2HG GLU 104 10.268 9.867 2.816 810 HG3 GLU 104 1HG GLU 104 10.371 8.567 4.004 811 H VAL 105 H VAL 105 8.719 7.769 -0.844 812 HA VAL 105 HA VAL 105 9.834 5.104 -1.588 813 HB VAL 105 HB VAL 105 7.209 6.161 -2.639 814 HG11 VAL 105 1HG1 VAL 105 8.447 4.391 -3.909 815 HG12 VAL 105 2HG1 VAL 105 6.883 3.841 -3.306 816 HG13 VAL 105 3HG1 VAL 105 8.363 3.361 -2.480 817 HG21 VAL 105 1HG2 VAL 105 6.469 4.172 -0.961 818 HG22 VAL 105 2HG2 VAL 105 6.501 5.867 -0.477 819 HG23 VAL 105 3HG2 VAL 105 7.852 4.808 -0.071 820 H ASP 106 H ASP 106 10.856 5.051 -3.571 821 HA ASP 106 HA ASP 106 10.659 7.512 -5.262 822 HB2 ASP 106 2HB ASP 106 12.795 7.445 -3.981 823 HB3 ASP 106 1HB ASP 106 13.160 5.883 -4.719 824 H PHE 107 H PHE 107 10.214 7.086 -7.376 825 HA PHE 107 HA PHE 107 10.405 4.248 -8.283 826 HB2 PHE 107 2HB PHE 107 8.550 6.495 -9.120 827 HB3 PHE 107 1HB PHE 107 8.620 4.920 -9.907 828 HD1 PHE 107 1HD PHE 107 8.207 6.465 -6.522 829 HD2 PHE 107 2HD PHE 107 7.289 3.168 -9.113 830 HE1 PHE 107 1HE PHE 107 6.675 5.544 -4.806 831 HE2 PHE 107 2HE PHE 107 5.759 2.242 -7.394 832 HZ PHE 107 HZ PHE 107 5.451 3.431 -5.239 833 H VAL 108 H VAL 108 11.789 3.858 -9.942 834 HA VAL 108 HA VAL 108 12.761 6.194 -11.534 835 HB VAL 108 HB VAL 108 14.425 3.750 -11.415 836 HG11 VAL 108 1HG1 VAL 108 14.976 6.718 -11.121 837 HG12 VAL 108 2HG1 VAL 108 15.128 5.783 -12.609 838 HG13 VAL 108 3HG1 VAL 108 16.208 5.462 -11.252 839 HG21 VAL 108 1HG2 VAL 108 15.378 4.736 -9.184 840 HG22 VAL 108 2HG2 VAL 108 13.955 3.697 -9.116 841 HG23 VAL 108 3HG2 VAL 108 13.773 5.448 -9.016 842 HA PRO 109 HA PRO 109 10.874 3.679 -14.780 843 HB2 PRO 109 2HB PRO 109 11.373 5.320 -16.889 844 HB3 PRO 109 1HB PRO 109 10.115 5.673 -15.687 845 HG2 PRO 109 2HG PRO 109 12.851 6.803 -15.946 846 HG3 PRO 109 1HG PRO 109 11.334 7.606 -15.514 847 HD2 PRO 109 2HD PRO 109 13.231 6.842 -13.666 848 HD3 PRO 109 1HD PRO 109 11.501 7.016 -13.289 849 H ASN 110 H ASN 110 11.925 1.924 -15.480 850 HA ASN 110 HA ASN 110 14.574 2.242 -16.794 851 HB2 ASN 110 2HB ASN 110 14.535 1.014 -14.555 852 HB3 ASN 110 1HB ASN 110 13.622 -0.247 -15.387 853 HD21 ASN 110 1HD2 ASN 110 14.935 -1.883 -16.189 854 HD22 ASN 110 2HD2 ASN 110 16.541 -1.688 -16.700 855 H GLY 111 H GLY 111 14.378 1.881 -18.952 856 HA2 GLY 111 2HA GLY 111 13.739 0.830 -20.954 857 HA3 GLY 111 1HA GLY 111 13.209 -0.539 -19.975 858 H SER 112 H SER 112 11.573 -0.156 -21.972 859 HA SER 112 HA SER 112 9.547 1.858 -21.611 860 HB2 SER 112 2HB SER 112 8.294 0.629 -23.280 861 HB3 SER 112 1HB SER 112 9.990 0.615 -23.753 862 HG SER 112 HG SER 112 9.931 -1.471 -23.603 863 H GLY 113 H GLY 113 10.089 -1.289 -20.190 864 HA2 GLY 113 2HA GLY 113 7.639 -0.874 -18.555 865 HA3 GLY 113 1HA GLY 113 7.842 -2.421 -19.382 866 H GLY 114 H GLY 114 10.302 -0.427 -17.720 867 HA2 GLY 114 2HA GLY 114 10.593 -2.612 -15.722 868 HA3 GLY 114 1HA GLY 114 12.017 -1.985 -16.549 869 H THR 115 H THR 115 10.538 -1.784 -13.671 870 HA THR 115 HA THR 115 11.478 1.020 -13.296 871 HB THR 115 HB THR 115 8.792 -0.103 -12.493 872 HG1 THR 115 1HG THR 115 8.997 2.440 -13.434 873 HG21 THR 115 1HG2 THR 115 8.542 2.122 -11.277 874 HG22 THR 115 2HG2 THR 115 10.296 2.276 -11.391 875 HG23 THR 115 3HG2 THR 115 9.584 0.936 -10.496 876 H ARG 116 H ARG 116 12.520 1.385 -11.390 877 HA ARG 116 HA ARG 116 12.762 -0.935 -9.518 878 HB2 ARG 116 2HB ARG 116 14.889 -0.141 -10.574 879 HB3 ARG 116 1HB ARG 116 14.612 1.454 -9.868 880 HG2 ARG 116 2HG ARG 116 14.582 0.400 -7.604 881 HG3 ARG 116 1HG ARG 116 14.991 -1.144 -8.351 882 HD2 ARG 116 2HD ARG 116 16.659 1.384 -8.514 883 HD3 ARG 116 1HD ARG 116 17.012 -0.010 -7.496 884 HE ARG 116 HE ARG 116 16.803 -1.046 -10.079 885 HH11 ARG 116 1HH1 ARG 116 18.618 -1.279 -11.408 886 HH12 ARG 116 2HH1 ARG 116 20.012 -0.292 -11.126 887 HH21 ARG 116 1HH2 ARG 116 18.613 1.383 -8.432 888 HH22 ARG 116 2HH2 ARG 116 20.011 1.214 -9.441 889 H VAL 117 H VAL 117 11.784 -0.636 -7.538 890 HA VAL 117 HA VAL 117 11.195 2.190 -6.730 891 HB VAL 117 HB VAL 117 9.480 -0.245 -6.217 892 HG11 VAL 117 1HG1 VAL 117 7.846 1.403 -5.413 893 HG12 VAL 117 2HG1 VAL 117 8.987 2.707 -5.745 894 HG13 VAL 117 3HG1 VAL 117 9.345 1.520 -4.488 895 HG21 VAL 117 1HG2 VAL 117 9.524 1.808 -8.379 896 HG22 VAL 117 2HG2 VAL 117 7.949 1.310 -7.761 897 HG23 VAL 117 3HG2 VAL 117 9.044 0.113 -8.448 898 H GLU 118 H GLU 118 11.646 2.747 -4.668 899 HA GLU 118 HA GLU 118 12.637 0.591 -2.838 900 HB2 GLU 118 2HB GLU 118 13.527 3.498 -2.963 901 HB3 GLU 118 1HB GLU 118 14.165 2.265 -1.877 902 HG2 GLU 118 2HG GLU 118 14.945 0.963 -3.836 903 HG3 GLU 118 1HG GLU 118 14.346 2.231 -4.905 904 H LEU 119 H LEU 119 10.834 0.313 -1.526 905 HA LEU 119 HA LEU 119 9.513 2.779 -0.494 906 HB2 LEU 119 2HB LEU 119 8.121 1.062 -1.714 907 HB3 LEU 119 1HB LEU 119 8.472 -0.057 -0.409 908 HG LEU 119 HG LEU 119 7.441 2.613 0.401 909 HD11 LEU 119 1HD1 LEU 119 5.647 0.488 -0.810 910 HD12 LEU 119 2HD1 LEU 119 6.053 2.017 -1.589 911 HD13 LEU 119 3HD1 LEU 119 5.126 2.011 -0.089 912 HD21 LEU 119 1HD2 LEU 119 6.914 -0.260 1.230 913 HD22 LEU 119 2HD2 LEU 119 6.159 1.143 1.983 914 HD23 LEU 119 3HD2 LEU 119 7.903 0.918 2.091 915 H ALA 120 H ALA 120 9.771 3.287 1.622 916 HA ALA 120 HA ALA 120 10.680 1.131 3.481 917 HB1 ALA 120 1HB ALA 120 12.358 3.085 2.583 918 HB2 ALA 120 2HB ALA 120 12.509 2.311 4.162 919 HB3 ALA 120 3HB ALA 120 11.684 3.862 4.014 920 H HIS 121 H HIS 121 9.605 1.110 5.399 921 HA HIS 121 HA HIS 121 7.804 3.424 6.014 922 HB2 HIS 121 2HB HIS 121 6.106 1.976 6.580 923 HB3 HIS 121 1HB HIS 121 6.939 0.924 5.437 924 HD1 HIS 121 1HD HIS 121 5.690 0.919 8.789 925 HD2 HIS 121 2HD HIS 121 9.067 -0.688 6.949 926 HE1 HIS 121 1HE HIS 121 6.565 -0.879 10.349 927 HE2 HIS 121 2HE HIS 121 8.615 -1.871 9.231 928 H VAL 122 H VAL 122 8.201 4.382 7.996 929 HA VAL 122 HA VAL 122 9.828 2.821 9.952 930 HB VAL 122 HB VAL 122 11.107 4.916 10.424 931 HG11 VAL 122 1HG1 VAL 122 12.617 4.045 9.008 932 HG12 VAL 122 2HG1 VAL 122 11.748 4.724 7.630 933 HG13 VAL 122 3HG1 VAL 122 11.329 3.122 8.237 934 HG21 VAL 122 1HG2 VAL 122 9.059 6.084 8.909 935 HG22 VAL 122 2HG2 VAL 122 10.473 6.150 7.858 936 HG23 VAL 122 3HG2 VAL 122 10.532 6.884 9.459 937 H LYS 123 H LYS 123 9.669 3.522 12.140 938 HA LYS 123 HA LYS 123 8.468 4.141 14.039 939 HB2 LYS 123 2HB LYS 123 7.935 6.457 12.176 940 HB3 LYS 123 1HB LYS 123 7.300 6.420 13.821 941 HG2 LYS 123 2HG LYS 123 9.401 7.584 13.912 942 HG3 LYS 123 1HG LYS 123 9.669 5.989 14.616 943 HD2 LYS 123 2HD LYS 123 10.745 5.186 12.657 944 HD3 LYS 123 1HD LYS 123 10.172 6.547 11.692 945 HE2 LYS 123 2HE LYS 123 12.107 6.759 14.016 946 HE3 LYS 123 1HE LYS 123 12.570 6.774 12.313 947 HZ1 LYS 123 1HZ LYS 123 11.097 8.798 13.854 948 HZ2 LYS 123 2HZ LYS 123 10.838 8.674 12.179 949 HZ3 LYS 123 3HZ LYS 123 12.393 9.001 12.780 950 H LEU 124 H LEU 124 7.153 2.411 12.038 951 HA LEU 124 HA LEU 124 4.356 3.174 11.922 952 HB2 LEU 124 2HB LEU 124 5.738 1.431 10.507 953 HB3 LEU 124 1HB LEU 124 5.257 0.326 11.792 954 HG LEU 124 HG LEU 124 2.881 1.455 11.372 955 HD11 LEU 124 1HD1 LEU 124 2.518 2.285 9.232 956 HD12 LEU 124 2HD1 LEU 124 3.904 1.430 8.555 957 HD13 LEU 124 3HD1 LEU 124 4.153 2.872 9.539 958 HD21 LEU 124 1HD2 LEU 124 4.225 -0.743 9.798 959 HD22 LEU 124 2HD2 LEU 124 2.506 -0.388 9.625 960 HD23 LEU 124 3HD2 LEU 124 3.148 -0.899 11.184 961 H HIS 125 H HIS 125 6.387 1.174 14.000 962 HA HIS 125 HA HIS 125 4.540 -0.072 15.665 963 HB2 HIS 125 2HB HIS 125 6.986 -0.316 15.913 964 HB3 HIS 125 1HB HIS 125 7.072 1.327 16.544 965 HD1 HIS 125 1HD HIS 125 4.999 -1.788 17.348 966 HD2 HIS 125 2HD HIS 125 7.023 1.295 19.297 967 HE1 HIS 125 1HE HIS 125 4.732 -2.212 19.832 968 HE2 HIS 125 2HE HIS 125 5.960 -0.342 21.027 969 H ARG 126 H ARG 126 4.899 3.236 15.124 970 HA ARG 126 HA ARG 126 4.305 4.496 17.521 971 HB2 ARG 126 2HB ARG 126 4.592 5.615 15.294 972 HB3 ARG 126 1HB ARG 126 2.950 5.118 14.894 973 HG2 ARG 126 2HG ARG 126 2.079 6.365 16.822 974 HG3 ARG 126 1HG ARG 126 3.719 6.846 17.261 975 HD2 ARG 126 2HD ARG 126 3.950 7.965 15.047 976 HD3 ARG 126 1HD ARG 126 2.272 7.557 14.693 977 HE ARG 126 HE ARG 126 1.636 9.364 16.059 978 HH11 ARG 126 1HH1 ARG 126 2.019 10.999 17.572 979 HH12 ARG 126 2HH1 ARG 126 3.539 11.053 18.402 980 HH21 ARG 126 1HH2 ARG 126 4.811 8.249 16.807 981 HH22 ARG 126 2HH2 ARG 126 5.120 9.496 17.969 982 H HIS 127 H HIS 127 2.127 2.522 15.531 983 HA HIS 127 HA HIS 127 -0.205 3.255 17.130 984 HB2 HIS 127 2HB HIS 127 -1.094 1.039 15.974 985 HB3 HIS 127 1HB HIS 127 -0.953 2.534 15.063 986 HD1 HIS 127 1HD HIS 127 1.992 0.344 15.990 987 HD2 HIS 127 2HD HIS 127 -0.260 1.357 12.631 988 HE1 HIS 127 1HE HIS 127 3.170 -0.673 13.990 989 HE2 HIS 127 2HE HIS 127 1.818 -0.050 11.944 990 H GLY 128 H GLY 128 2.380 1.001 17.456 991 HA2 GLY 128 2HA GLY 128 2.846 -0.202 19.472 992 HA3 GLY 128 1HA GLY 128 1.171 0.043 19.973 993 H ASP 129 H ASP 129 1.322 -2.323 20.487 994 HA ASP 129 HA ASP 129 1.606 -4.257 18.364 995 HB2 ASP 129 2HB ASP 129 0.780 -5.875 20.006 996 HB3 ASP 129 1HB ASP 129 1.959 -4.803 20.762 997 H GLY 130 H GLY 130 -0.142 -5.651 17.556 998 HA2 GLY 130 2HA GLY 130 -2.446 -6.098 17.031 999 HA3 GLY 130 1HA GLY 130 -2.886 -4.545 17.757 1000 H ALA 131 H ALA 131 -0.363 -3.601 16.119 1001 HA ALA 131 HA ALA 131 -1.802 -2.343 14.005 1002 HB1 ALA 131 1HB ALA 131 0.486 -1.810 13.135 1003 HB2 ALA 131 2HB ALA 131 1.156 -2.847 14.394 1004 HB3 ALA 131 3HB ALA 131 0.257 -1.398 14.833 1005 H TRP 132 H TRP 132 0.370 -5.195 14.013 1006 HA TRP 132 HA TRP 132 0.316 -5.664 11.230 1007 HB2 TRP 132 2HB TRP 132 1.745 -6.901 12.912 1008 HB3 TRP 132 1HB TRP 132 0.315 -7.856 13.320 1009 HD1 TRP 132 HD TRP 132 -0.676 -9.450 11.419 1010 HE1 TRP 132 1HE TRP 132 0.410 -10.487 9.324 1011 HE3 TRP 132 3HE TRP 132 3.521 -6.535 11.050 1012 HZ2 TRP 132 2HZ TRP 132 2.737 -10.133 7.712 1013 HZ3 TRP 132 3HZ TRP 132 5.147 -6.918 9.225 1014 HH2 TRP 132 HH TRP 132 4.764 -8.710 7.556 1015 H ASN 133 H ASN 133 -2.075 -6.363 13.716 1016 HA ASN 133 HA ASN 133 -3.746 -8.155 12.287 1017 HB2 ASN 133 2HB ASN 133 -4.008 -7.257 14.698 1018 HB3 ASN 133 1HB ASN 133 -4.807 -5.870 13.962 1019 HD21 ASN 133 1HD2 ASN 133 -6.871 -6.536 14.983 1020 HD22 ASN 133 2HD2 ASN 133 -7.758 -7.837 14.349 1021 H ILE 134 H ILE 134 -3.529 -4.622 12.235 1022 HA ILE 134 HA ILE 134 -5.634 -4.108 10.388 1023 HB ILE 134 HB ILE 134 -2.988 -2.675 10.712 1024 HG12 ILE 134 2HG1 ILE 134 -5.667 -2.105 12.016 1025 HG13 ILE 134 1HG1 ILE 134 -4.325 -2.922 12.824 1026 HG21 ILE 134 1HG2 ILE 134 -4.343 -0.732 9.875 1027 HG22 ILE 134 2HG2 ILE 134 -5.633 -1.876 9.500 1028 HG23 ILE 134 3HG2 ILE 134 -4.075 -2.006 8.685 1029 HD11 ILE 134 1HD1 ILE 134 -3.855 -0.764 13.476 1030 HD12 ILE 134 2HD1 ILE 134 -4.609 -0.056 12.048 1031 HD13 ILE 134 3HD1 ILE 134 -3.000 -0.764 11.936 1032 H HIS 135 H HIS 135 -2.179 -4.756 9.981 1033 HA HIS 135 HA HIS 135 -2.111 -4.694 7.128 1034 HB2 HIS 135 2HB HIS 135 -0.031 -4.612 8.359 1035 HB3 HIS 135 1HB HIS 135 -0.384 -6.153 9.145 1036 HD1 HIS 135 1HD HIS 135 -1.399 -6.111 5.665 1037 HD2 HIS 135 2HD HIS 135 2.078 -7.049 7.752 1038 HE1 HIS 135 1HE HIS 135 0.029 -7.431 4.061 1039 HE2 HIS 135 2HE HIS 135 2.173 -8.011 5.316 1040 H LYS 136 H LYS 136 -2.971 -7.203 9.454 1041 HA LYS 136 HA LYS 136 -2.887 -9.466 7.789 1042 HB2 LYS 136 2HB LYS 136 -3.509 -9.449 10.239 1043 HB3 LYS 136 1HB LYS 136 -5.097 -8.871 9.761 1044 HG2 LYS 136 2HG LYS 136 -5.392 -10.860 8.345 1045 HG3 LYS 136 1HG LYS 136 -3.822 -11.455 8.872 1046 HD2 LYS 136 2HD LYS 136 -4.648 -11.399 11.233 1047 HD3 LYS 136 1HD LYS 136 -6.242 -10.949 10.625 1048 HE2 LYS 136 2HE LYS 136 -5.159 -13.275 9.232 1049 HE3 LYS 136 1HE LYS 136 -5.298 -13.548 10.969 1050 HZ1 LYS 136 1HZ LYS 136 -7.407 -14.040 10.389 1051 HZ2 LYS 136 2HZ LYS 136 -7.377 -13.084 8.984 1052 HZ3 LYS 136 3HZ LYS 136 -7.611 -12.360 10.504 1053 H ALA 137 H ALA 137 -5.273 -6.858 7.972 1054 HA ALA 137 HA ALA 137 -7.172 -8.077 6.176 1055 HB1 ALA 137 1HB ALA 137 -7.705 -5.550 5.697 1056 HB2 ALA 137 2HB ALA 137 -6.597 -5.261 7.035 1057 HB3 ALA 137 3HB ALA 137 -8.056 -6.219 7.289 1058 H LEU 138 H LEU 138 -4.407 -5.876 5.662 1059 HA LEU 138 HA LEU 138 -4.752 -5.736 2.803 1060 HB2 LEU 138 2HB LEU 138 -2.253 -5.362 4.476 1061 HB3 LEU 138 1HB LEU 138 -2.406 -4.929 2.779 1062 HG LEU 138 HG LEU 138 -4.079 -3.797 5.039 1063 HD11 LEU 138 1HD1 LEU 138 -2.046 -2.386 3.296 1064 HD12 LEU 138 2HD1 LEU 138 -1.632 -3.078 4.864 1065 HD13 LEU 138 3HD1 LEU 138 -2.821 -1.780 4.760 1066 HD21 LEU 138 1HD2 LEU 138 -5.495 -3.613 3.209 1067 HD22 LEU 138 2HD2 LEU 138 -4.165 -3.583 2.052 1068 HD23 LEU 138 3HD2 LEU 138 -4.542 -2.144 2.999 1069 H ASP 139 H ASP 139 -3.142 -8.006 4.954 1070 HA ASP 139 HA ASP 139 -2.291 -10.141 4.549 1071 HB2 ASP 139 2HB ASP 139 -4.297 -9.690 2.502 1072 HB3 ASP 139 1HB ASP 139 -3.009 -10.732 1.908 1073 H GLY 140 H GLY 140 -0.107 -9.920 4.453 1074 HA2 GLY 140 2HA GLY 140 1.080 -9.567 1.749 1075 HA3 GLY 140 1HA GLY 140 1.710 -8.607 3.089 1076 HA PRO 141 HA PRO 141 2.544 -13.325 4.214 1077 HB2 PRO 141 2HB PRO 141 2.409 -14.442 1.464 1078 HB3 PRO 141 1HB PRO 141 1.830 -15.132 2.991 1079 HG2 PRO 141 2HG PRO 141 0.155 -14.134 1.163 1080 HG3 PRO 141 1HG PRO 141 -0.160 -14.009 2.902 1081 HD2 PRO 141 2HD PRO 141 0.751 -11.896 0.997 1082 HD3 PRO 141 1HD PRO 141 -0.262 -11.750 2.449 1083 H SER 142 H SER 142 4.699 -14.118 4.212 1084 HA SER 142 HA SER 142 6.760 -12.540 3.204 1085 HB2 SER 142 2HB SER 142 7.922 -14.030 4.423 1086 HB3 SER 142 1HB SER 142 6.549 -15.132 4.433 1087 HG SER 142 HG SER 142 7.342 -15.560 2.146 1088 HA PRO 143 HA PRO 143 6.969 -15.114 -0.801 1089 HB2 PRO 143 2HB PRO 143 5.172 -17.079 -1.275 1090 HB3 PRO 143 1HB PRO 143 6.629 -17.346 -0.298 1091 HG2 PRO 143 2HG PRO 143 3.816 -16.979 0.562 1092 HG3 PRO 143 1HG PRO 143 5.092 -17.988 1.261 1093 HD2 PRO 143 2HD PRO 143 4.291 -15.492 2.236 1094 HD3 PRO 143 1HD PRO 143 5.818 -16.308 2.627 1095 H GLY 144 H GLY 144 3.456 -15.295 -0.095 1096 HA2 GLY 144 2HA GLY 144 2.740 -14.125 -2.654 1097 HA3 GLY 144 1HA GLY 144 1.635 -14.407 -1.303 1098 H GLU 145 H GLU 145 4.528 -12.699 -0.619 1099 HA GLU 145 HA GLU 145 3.405 -10.476 0.580 1100 HB2 GLU 145 2HB GLU 145 5.544 -9.423 0.364 1101 HB3 GLU 145 1HB GLU 145 5.854 -11.149 0.494 1102 HG2 GLU 145 2HG GLU 145 5.932 -11.261 -2.015 1103 HG3 GLU 145 1HG GLU 145 5.817 -9.502 -2.049 1104 H THR 146 H THR 146 3.836 -8.105 -0.396 1105 HA THR 146 HA THR 146 1.878 -7.661 -2.397 1106 HB THR 146 HB THR 146 4.228 -5.837 -1.927 1107 HG1 THR 146 1HG THR 146 3.582 -5.568 0.025 1108 HG21 THR 146 1HG2 THR 146 1.496 -4.780 -2.126 1109 HG22 THR 146 2HG2 THR 146 2.046 -5.625 -3.574 1110 HG23 THR 146 3HG2 THR 146 2.968 -4.258 -2.947 1111 H LEU 147 H LEU 147 5.414 -7.833 -2.648 1112 HA LEU 147 HA LEU 147 5.681 -7.211 -5.377 1113 HB2 LEU 147 2HB LEU 147 7.314 -9.164 -3.732 1114 HB3 LEU 147 1HB LEU 147 7.816 -8.428 -5.254 1115 HG LEU 147 HG LEU 147 6.912 -6.357 -3.498 1116 HD11 LEU 147 1HD1 LEU 147 8.904 -8.305 -2.324 1117 HD12 LEU 147 2HD1 LEU 147 7.397 -7.740 -1.602 1118 HD13 LEU 147 3HD1 LEU 147 8.759 -6.634 -1.777 1119 HD21 LEU 147 1HD2 LEU 147 9.648 -7.119 -4.552 1120 HD22 LEU 147 2HD2 LEU 147 9.250 -5.560 -3.829 1121 HD23 LEU 147 3HD2 LEU 147 8.490 -6.052 -5.344 1122 H ALA 148 H ALA 148 4.717 -10.240 -3.854 1123 HA ALA 148 HA ALA 148 5.021 -11.842 -6.231 1124 HB1 ALA 148 1HB ALA 148 4.590 -13.475 -4.756 1125 HB2 ALA 148 2HB ALA 148 2.942 -12.875 -4.561 1126 HB3 ALA 148 3HB ALA 148 4.235 -12.256 -3.532 1127 H ARG 149 H ARG 149 2.080 -10.499 -4.694 1128 HA ARG 149 HA ARG 149 0.415 -11.320 -6.894 1129 HB2 ARG 149 2HB ARG 149 -1.258 -9.734 -5.735 1130 HB3 ARG 149 1HB ARG 149 -0.708 -11.153 -4.848 1131 HG2 ARG 149 2HG ARG 149 0.220 -9.875 -3.242 1132 HG3 ARG 149 1HG ARG 149 1.094 -8.915 -4.432 1133 HD2 ARG 149 2HD ARG 149 -0.736 -7.420 -4.733 1134 HD3 ARG 149 1HD ARG 149 -1.853 -8.507 -3.905 1135 HE ARG 149 HE ARG 149 0.167 -7.845 -2.047 1136 HH11 ARG 149 1HH1 ARG 149 -0.181 -6.189 -0.548 1137 HH12 ARG 149 2HH1 ARG 149 -1.382 -4.985 -0.872 1138 HH21 ARG 149 1HH2 ARG 149 -2.309 -6.350 -3.922 1139 HH22 ARG 149 2HH2 ARG 149 -2.587 -5.076 -2.781 1140 H PHE 150 H PHE 150 1.440 -8.019 -5.878 1141 HA PHE 150 HA PHE 150 0.199 -6.847 -8.217 1142 HB2 PHE 150 2HB PHE 150 0.404 -4.978 -7.010 1143 HB3 PHE 150 1HB PHE 150 1.248 -5.912 -5.771 1144 HD1 PHE 150 1HD PHE 150 3.763 -6.398 -6.245 1145 HD2 PHE 150 2HD PHE 150 1.545 -3.243 -8.097 1146 HE1 PHE 150 1HE PHE 150 5.871 -5.249 -6.763 1147 HE2 PHE 150 2HE PHE 150 3.667 -2.066 -8.628 1148 HZ PHE 150 HZ PHE 150 5.835 -3.074 -7.962 1149 H ALA 151 H ALA 151 3.589 -7.726 -7.476 1150 HA ALA 151 HA ALA 151 4.604 -6.383 -9.826 1151 HB1 ALA 151 1HB ALA 151 5.828 -7.357 -7.649 1152 HB2 ALA 151 2HB ALA 151 6.674 -7.100 -9.173 1153 HB3 ALA 151 3HB ALA 151 6.101 -8.711 -8.747 1154 H ASN 152 H ASN 152 3.751 -9.773 -9.168 1155 HA ASN 152 HA ASN 152 4.584 -10.786 -11.705 1156 HB2 ASN 152 2HB ASN 152 3.572 -12.778 -11.088 1157 HB3 ASN 152 1HB ASN 152 3.796 -12.019 -9.512 1158 HD21 ASN 152 1HD2 ASN 152 1.864 -10.815 -8.619 1159 HD22 ASN 152 2HD2 ASN 152 0.305 -11.326 -9.069 1160 H VAL 153 H VAL 153 1.436 -9.509 -10.650 1161 HA VAL 153 HA VAL 153 0.082 -10.085 -13.118 1162 HB VAL 153 HB VAL 153 -1.572 -8.416 -12.297 1163 HG11 VAL 153 1HG1 VAL 153 -0.598 -10.771 -10.841 1164 HG12 VAL 153 2HG1 VAL 153 -2.250 -10.329 -11.276 1165 HG13 VAL 153 3HG1 VAL 153 -1.510 -9.655 -9.824 1166 HG21 VAL 153 1HG2 VAL 153 -1.083 -7.503 -9.978 1167 HG22 VAL 153 2HG2 VAL 153 -0.140 -6.791 -11.282 1168 HG23 VAL 153 3HG2 VAL 153 0.579 -8.006 -10.230 1169 H ILE 154 H ILE 154 1.856 -7.237 -11.950 1170 HA ILE 154 HA ILE 154 1.140 -5.531 -14.111 1171 HB ILE 154 HB ILE 154 3.524 -5.571 -12.271 1172 HG12 ILE 154 2HG1 ILE 154 1.208 -3.634 -12.524 1173 HG13 ILE 154 1HG1 ILE 154 1.248 -4.968 -11.376 1174 HG21 ILE 154 1HG2 ILE 154 3.761 -3.156 -13.232 1175 HG22 ILE 154 2HG2 ILE 154 2.885 -3.811 -14.613 1176 HG23 ILE 154 3HG2 ILE 154 4.432 -4.510 -14.139 1177 HD11 ILE 154 1HD1 ILE 154 1.998 -2.879 -10.308 1178 HD12 ILE 154 2HD1 ILE 154 3.266 -2.712 -11.522 1179 HD13 ILE 154 3HD1 ILE 154 3.310 -4.056 -10.382 1180 HBC 969 201 HBC PDM 155 8.372 -7.251 2.000 1181 HBD 969 201 HBD PDM 155 7.621 -7.737 0.462 1182 HBE 969 201 HBE PDM 155 7.953 -8.957 1.714 1183 HBA 969 201 HBA PDM 155 5.759 -8.644 2.259 1184 HBB 969 201 HBB PDM 155 6.372 -7.212 3.113 1185 HA0 969 201 0HA PDM 155 3.542 -5.842 1.561 1186 HAY 969 201 HAY PDM 155 3.906 -7.189 2.669 1187 HAZ 969 201 HAZ PDM 155 3.431 -7.520 0.985 1188 HBF 969 201 HBF PDM 155 6.277 -7.945 -0.190 1189 HAQ 969 201 HAQ PDM 155 5.281 -4.111 -5.118 1190 HAL 969 201 HAL PDM 155 7.323 -3.940 -6.797 1191 HAM 969 201 HAM PDM 155 9.245 -2.377 -6.800 1192 HAN 969 201 HAN PDM 155 10.188 -1.574 -4.658 1193 HAE 969 201 HAE PDM 155 10.230 -1.596 0.146 1194 HAS 969 201 HAS PDM 155 10.561 -2.070 2.313 1195 HAT 969 201 HAT PDM 155 9.636 -3.325 3.174 1196 HAU 969 201 HAU PDM 155 9.006 -1.665 3.081 1197 HAV 969 201 HAV PDM 155 5.672 -5.238 3.441 Start of MODEL 20 1 H1 MET 1 1HT MET 1 5.442 -10.010 8.489 2 H2 MET 1 2HT MET 1 6.749 -10.051 9.573 3 H3 MET 1 3HT MET 1 5.345 -9.177 9.963 4 HA MET 1 HA MET 1 4.178 -11.463 9.696 5 HB2 MET 1 2HB MET 1 6.871 -12.144 9.249 6 HB3 MET 1 1HB MET 1 6.510 -12.721 10.876 7 HG2 MET 1 2HG MET 1 4.902 -13.327 8.377 8 HG3 MET 1 1HG MET 1 5.960 -14.453 9.228 9 HE1 MET 1 1HE MET 1 3.758 -15.691 8.723 10 HE2 MET 1 2HE MET 1 2.634 -16.008 10.041 11 HE3 MET 1 3HE MET 1 4.341 -16.394 10.237 12 HA PRO 2 HA PRO 2 5.822 -11.006 14.293 13 HB2 PRO 2 2HB PRO 2 7.095 -8.345 14.131 14 HB3 PRO 2 1HB PRO 2 7.673 -9.826 14.919 15 HG2 PRO 2 2HG PRO 2 8.764 -8.859 12.660 16 HG3 PRO 2 1HG PRO 2 8.696 -10.590 13.030 17 HD2 PRO 2 2HD PRO 2 7.036 -9.004 11.116 18 HD3 PRO 2 1HD PRO 2 7.591 -10.691 11.003 19 H GLU 3 H GLU 3 4.530 -9.988 15.881 20 HA GLU 3 HA GLU 3 2.256 -8.510 14.998 21 HB2 GLU 3 2HB GLU 3 3.456 -8.791 17.772 22 HB3 GLU 3 1HB GLU 3 1.853 -8.144 17.430 23 HG2 GLU 3 2HG GLU 3 1.241 -10.288 16.333 24 HG3 GLU 3 1HG GLU 3 2.826 -10.935 16.762 25 H GLU 4 H GLU 4 5.434 -7.545 16.077 26 HA GLU 4 HA GLU 4 4.638 -4.706 16.294 27 HB2 GLU 4 2HB GLU 4 6.257 -5.749 17.906 28 HB3 GLU 4 1HB GLU 4 7.378 -5.943 16.560 29 HG2 GLU 4 2HG GLU 4 7.285 -3.488 16.159 30 HG3 GLU 4 1HG GLU 4 6.246 -3.323 17.577 31 H ILE 5 H ILE 5 5.329 -3.120 14.821 32 HA ILE 5 HA ILE 5 6.594 -4.164 12.320 33 HB ILE 5 HB ILE 5 5.052 -1.669 12.105 34 HG12 ILE 5 2HG1 ILE 5 3.685 -2.941 13.768 35 HG13 ILE 5 1HG1 ILE 5 2.867 -2.693 12.234 36 HG21 ILE 5 1HG2 ILE 5 5.912 -2.800 10.151 37 HG22 ILE 5 2HG2 ILE 5 4.152 -2.893 10.135 38 HG23 ILE 5 3HG2 ILE 5 5.102 -4.295 10.619 39 HD11 ILE 5 1HD1 ILE 5 2.859 -4.892 11.746 40 HD12 ILE 5 2HD1 ILE 5 3.137 -5.110 13.474 41 HD13 ILE 5 3HD1 ILE 5 4.497 -5.126 12.353 42 HA PRO 6 HA PRO 6 9.417 -0.896 13.874 43 HB2 PRO 6 2HB PRO 6 11.745 -2.202 13.285 44 HB3 PRO 6 1HB PRO 6 10.841 -2.460 14.789 45 HG2 PRO 6 2HG PRO 6 11.065 -4.181 12.407 46 HG3 PRO 6 1HG PRO 6 10.765 -4.616 14.095 47 HD2 PRO 6 2HD PRO 6 8.829 -4.461 12.041 48 HD3 PRO 6 1HD PRO 6 8.506 -4.608 13.781 49 H ASP 7 H ASP 7 11.128 0.350 12.637 50 HA ASP 7 HA ASP 7 10.272 0.844 9.955 51 HB2 ASP 7 2HB ASP 7 12.311 2.285 9.836 52 HB3 ASP 7 1HB ASP 7 11.331 2.593 11.269 53 H VAL 8 H VAL 8 10.781 -0.202 8.120 54 HA VAL 8 HA VAL 8 13.384 -1.630 7.928 55 HB VAL 8 HB VAL 8 11.604 -3.286 8.541 56 HG11 VAL 8 1HG1 VAL 8 9.619 -3.387 7.451 57 HG12 VAL 8 2HG1 VAL 8 10.378 -3.193 5.871 58 HG13 VAL 8 3HG1 VAL 8 10.025 -1.777 6.860 59 HG21 VAL 8 1HG2 VAL 8 13.518 -4.038 7.236 60 HG22 VAL 8 2HG2 VAL 8 12.770 -3.465 5.745 61 HG23 VAL 8 3HG2 VAL 8 12.067 -4.828 6.617 62 H ARG 9 H ARG 9 14.284 -1.497 5.844 63 HA ARG 9 HA ARG 9 12.616 -0.075 3.800 64 HB2 ARG 9 2HB ARG 9 14.365 1.396 4.747 65 HB3 ARG 9 1HB ARG 9 15.592 0.213 4.292 66 HG2 ARG 9 2HG ARG 9 14.954 0.455 1.921 67 HG3 ARG 9 1HG ARG 9 13.729 1.639 2.370 68 HD2 ARG 9 2HD ARG 9 15.525 3.066 3.356 69 HD3 ARG 9 1HD ARG 9 16.721 1.907 2.776 70 HE ARG 9 HE ARG 9 15.321 2.533 0.491 71 HH11 ARG 9 1HH1 ARG 9 15.841 4.276 -0.852 72 HH12 ARG 9 2HH1 ARG 9 16.669 5.645 -0.190 73 HH21 ARG 9 1HH2 ARG 9 16.822 4.337 3.018 74 HH22 ARG 9 2HH2 ARG 9 17.225 5.680 2.000 75 H LYS 10 H LYS 10 12.341 -1.235 1.982 76 HA LYS 10 HA LYS 10 14.514 -3.072 1.107 77 HB2 LYS 10 2HB LYS 10 11.577 -3.812 1.287 78 HB3 LYS 10 1HB LYS 10 12.829 -4.804 0.538 79 HG2 LYS 10 2HG LYS 10 14.047 -4.832 2.720 80 HG3 LYS 10 1HG LYS 10 12.694 -3.965 3.448 81 HD2 LYS 10 2HD LYS 10 11.178 -5.819 2.744 82 HD3 LYS 10 1HD LYS 10 12.584 -6.701 2.144 83 HE2 LYS 10 2HE LYS 10 13.037 -7.452 4.214 84 HE3 LYS 10 1HE LYS 10 13.109 -5.799 4.824 85 HZ1 LYS 10 1HZ LYS 10 10.550 -7.213 4.363 86 HZ2 LYS 10 2HZ LYS 10 10.817 -5.794 5.258 87 HZ3 LYS 10 3HZ LYS 10 11.374 -7.289 5.843 88 H SER 11 H SER 11 14.338 -3.577 -1.232 89 HA SER 11 HA SER 11 12.434 -1.977 -2.795 90 HB2 SER 11 2HB SER 11 14.065 -0.639 -3.914 91 HB3 SER 11 1HB SER 11 14.322 -0.443 -2.180 92 HG SER 11 HG SER 11 16.210 -0.930 -3.637 93 H VAL 12 H VAL 12 12.432 -2.543 -5.032 94 HA VAL 12 HA VAL 12 14.220 -4.681 -5.957 95 HB VAL 12 HB VAL 12 11.294 -5.125 -5.441 96 HG11 VAL 12 1HG1 VAL 12 13.211 -6.581 -7.262 97 HG12 VAL 12 2HG1 VAL 12 11.605 -5.962 -7.645 98 HG13 VAL 12 3HG1 VAL 12 11.780 -7.371 -6.598 99 HG21 VAL 12 1HG2 VAL 12 12.625 -5.735 -3.553 100 HG22 VAL 12 2HG2 VAL 12 13.863 -6.460 -4.580 101 HG23 VAL 12 3HG2 VAL 12 12.295 -7.245 -4.402 102 H VAL 13 H VAL 13 13.942 -5.092 -8.247 103 HA VAL 13 HA VAL 13 12.625 -2.804 -9.616 104 HB VAL 13 HB VAL 13 14.655 -4.773 -10.710 105 HG11 VAL 13 1HG1 VAL 13 14.759 -2.440 -12.182 106 HG12 VAL 13 2HG1 VAL 13 13.035 -2.597 -11.846 107 HG13 VAL 13 3HG1 VAL 13 13.896 -3.900 -12.664 108 HG21 VAL 13 1HG2 VAL 13 15.417 -1.956 -10.299 109 HG22 VAL 13 2HG2 VAL 13 16.321 -3.428 -9.942 110 HG23 VAL 13 3HG2 VAL 13 15.109 -2.839 -8.804 111 H VAL 14 H VAL 14 10.893 -3.173 -10.909 112 HA VAL 14 HA VAL 14 10.198 -6.016 -11.529 113 HB VAL 14 HB VAL 14 8.697 -5.298 -9.784 114 HG11 VAL 14 1HG1 VAL 14 8.590 -3.041 -9.532 115 HG12 VAL 14 2HG1 VAL 14 7.260 -3.136 -10.688 116 HG13 VAL 14 3HG1 VAL 14 8.886 -2.746 -11.246 117 HG21 VAL 14 1HG2 VAL 14 7.227 -4.849 -12.401 118 HG22 VAL 14 2HG2 VAL 14 6.564 -5.488 -10.899 119 HG23 VAL 14 3HG2 VAL 14 7.715 -6.445 -11.829 120 H ALA 15 H ALA 15 8.850 -6.247 -13.487 121 HA ALA 15 HA ALA 15 9.758 -4.473 -15.600 122 HB1 ALA 15 1HB ALA 15 7.608 -6.612 -15.682 123 HB2 ALA 15 2HB ALA 15 9.324 -6.909 -15.959 124 HB3 ALA 15 3HB ALA 15 8.414 -5.891 -17.076 125 H ALA 16 H ALA 16 8.907 -2.382 -15.173 126 HA ALA 16 HA ALA 16 6.173 -1.930 -15.984 127 HB1 ALA 16 1HB ALA 16 5.125 -1.438 -13.941 128 HB2 ALA 16 2HB ALA 16 6.659 -1.257 -13.087 129 HB3 ALA 16 3HB ALA 16 6.080 -2.862 -13.532 130 H SER 17 H SER 17 5.665 0.409 -15.880 131 HA SER 17 HA SER 17 8.153 2.037 -15.876 132 HB2 SER 17 2HB SER 17 6.932 3.623 -17.252 133 HB3 SER 17 1HB SER 17 6.699 2.021 -17.944 134 HG SER 17 HG SER 17 4.710 3.033 -17.787 135 H VAL 18 H VAL 18 8.154 4.014 -14.603 136 HA VAL 18 HA VAL 18 6.857 3.830 -12.106 137 HB VAL 18 HB VAL 18 7.618 6.078 -11.704 138 HG11 VAL 18 1HG1 VAL 18 9.227 4.023 -12.483 139 HG12 VAL 18 2HG1 VAL 18 9.839 5.566 -11.888 140 HG13 VAL 18 3HG1 VAL 18 9.720 5.273 -13.618 141 HG21 VAL 18 1HG2 VAL 18 7.469 6.246 -14.694 142 HG22 VAL 18 2HG2 VAL 18 8.650 7.243 -13.849 143 HG23 VAL 18 3HG2 VAL 18 6.934 7.413 -13.485 144 H GLU 19 H GLU 19 5.872 5.535 -15.062 145 HA GLU 19 HA GLU 19 3.544 6.774 -13.956 146 HB2 GLU 19 2HB GLU 19 4.156 5.824 -16.761 147 HB3 GLU 19 1HB GLU 19 2.759 6.805 -16.337 148 HG2 GLU 19 2HG GLU 19 4.283 8.549 -15.437 149 HG3 GLU 19 1HG GLU 19 5.663 7.575 -15.944 150 H HIS 20 H HIS 20 4.139 3.630 -15.459 151 HA HIS 20 HA HIS 20 1.418 2.701 -15.366 152 HB2 HIS 20 2HB HIS 20 2.915 1.510 -16.798 153 HB3 HIS 20 1HB HIS 20 4.068 1.250 -15.484 154 HD1 HIS 20 1HD HIS 20 1.038 -0.165 -17.040 155 HD2 HIS 20 2HD HIS 20 3.060 -0.607 -13.408 156 HE1 HIS 20 1HE HIS 20 0.109 -2.245 -15.937 157 HE2 HIS 20 2HE HIS 20 1.346 -2.536 -13.753 158 H CYS 21 H CYS 21 4.180 2.322 -13.183 159 HA CYS 21 HA CYS 21 3.120 0.546 -11.320 160 HB2 CYS 21 2HB CYS 21 4.773 3.023 -10.761 161 HB3 CYS 21 1HB CYS 21 4.605 1.642 -9.685 162 HG CYS 21 HG CYS 21 6.721 1.072 -10.995 163 H PHE 22 H PHE 22 2.679 4.066 -11.486 164 HA PHE 22 HA PHE 22 0.872 3.975 -9.197 165 HB2 PHE 22 2HB PHE 22 2.291 6.041 -10.633 166 HB3 PHE 22 1HB PHE 22 0.599 6.490 -10.363 167 HD1 PHE 22 1HD PHE 22 -0.134 7.155 -8.221 168 HD2 PHE 22 2HD PHE 22 3.571 5.030 -8.656 169 HE1 PHE 22 1HE PHE 22 0.312 7.433 -5.798 170 HE2 PHE 22 2HE PHE 22 4.020 5.316 -6.243 171 HZ PHE 22 HZ PHE 22 2.390 6.507 -4.816 172 H GLU 23 H GLU 23 0.582 4.057 -12.688 173 HA GLU 23 HA GLU 23 -2.146 4.853 -12.830 174 HB2 GLU 23 2HB GLU 23 -0.683 4.608 -14.821 175 HB3 GLU 23 1HB GLU 23 -0.702 2.862 -14.586 176 HG2 GLU 23 2HG GLU 23 -3.167 2.863 -14.816 177 HG3 GLU 23 1HG GLU 23 -3.122 4.602 -15.121 178 H VAL 24 H VAL 24 -0.650 1.663 -12.356 179 HA VAL 24 HA VAL 24 -3.147 0.236 -12.313 180 HB VAL 24 HB VAL 24 -0.487 -0.489 -11.029 181 HG11 VAL 24 1HG1 VAL 24 -3.087 -1.885 -11.459 182 HG12 VAL 24 2HG1 VAL 24 -1.926 -2.051 -10.146 183 HG13 VAL 24 3HG1 VAL 24 -1.613 -2.821 -11.700 184 HG21 VAL 24 1HG2 VAL 24 0.058 -0.309 -13.286 185 HG22 VAL 24 2HG2 VAL 24 -1.586 -0.660 -13.818 186 HG23 VAL 24 3HG2 VAL 24 -0.548 -1.965 -13.243 187 H PHE 25 H PHE 25 -1.102 1.662 -9.786 188 HA PHE 25 HA PHE 25 -2.500 0.695 -7.519 189 HB2 PHE 25 2HB PHE 25 -0.869 3.160 -8.060 190 HB3 PHE 25 1HB PHE 25 -1.652 2.937 -6.506 191 HD1 PHE 25 1HD PHE 25 0.503 2.857 -5.369 192 HD2 PHE 25 2HD PHE 25 -0.513 -0.008 -8.406 193 HE1 PHE 25 1HE PHE 25 2.356 1.401 -4.630 194 HE2 PHE 25 2HE PHE 25 1.326 -1.449 -7.664 195 HZ PHE 25 HZ PHE 25 2.756 -0.757 -5.782 196 H THR 26 H THR 26 -3.032 3.645 -9.446 197 HA THR 26 HA THR 26 -5.320 4.280 -7.746 198 HB THR 26 HB THR 26 -5.502 6.299 -9.263 199 HG1 THR 26 1HG THR 26 -3.848 4.854 -10.684 200 HG21 THR 26 1HG2 THR 26 -3.339 5.589 -7.384 201 HG22 THR 26 2HG2 THR 26 -4.441 6.970 -7.364 202 HG23 THR 26 3HG2 THR 26 -3.011 6.994 -8.399 203 H SER 27 H SER 27 -4.917 2.292 -10.378 204 HA SER 27 HA SER 27 -7.593 2.952 -11.494 205 HB2 SER 27 2HB SER 27 -5.600 2.557 -13.011 206 HB3 SER 27 1HB SER 27 -5.674 0.868 -12.525 207 HG SER 27 HG SER 27 -6.876 1.356 -14.448 208 H ARG 28 H ARG 28 -5.834 0.038 -10.277 209 HA ARG 28 HA ARG 28 -8.186 -0.878 -8.862 210 HB2 ARG 28 2HB ARG 28 -8.670 -2.845 -10.279 211 HB3 ARG 28 1HB ARG 28 -8.994 -1.335 -11.118 212 HG2 ARG 28 2HG ARG 28 -6.225 -2.274 -11.455 213 HG3 ARG 28 1HG ARG 28 -7.422 -3.395 -12.092 214 HD2 ARG 28 2HD ARG 28 -7.685 -0.482 -12.713 215 HD3 ARG 28 1HD ARG 28 -6.505 -1.443 -13.594 216 HE ARG 28 HE ARG 28 -9.122 -2.705 -13.536 217 HH11 ARG 28 1HH1 ARG 28 -10.234 -2.766 -15.503 218 HH12 ARG 28 2HH1 ARG 28 -9.723 -1.742 -16.804 219 HH21 ARG 28 1HH2 ARG 28 -7.116 -0.321 -15.013 220 HH22 ARG 28 2HH2 ARG 28 -7.958 -0.357 -16.526 221 HA PRO 29 HA PRO 29 -3.971 -2.807 -7.936 222 HB2 PRO 29 2HB PRO 29 -4.082 -2.184 -5.227 223 HB3 PRO 29 1HB PRO 29 -3.222 -1.247 -6.461 224 HG2 PRO 29 2HG PRO 29 -5.841 -0.743 -5.189 225 HG3 PRO 29 1HG PRO 29 -4.632 0.401 -5.787 226 HD2 PRO 29 2HD PRO 29 -6.955 -0.161 -7.128 227 HD3 PRO 29 1HD PRO 29 -5.469 0.361 -7.944 228 H ALA 30 H ALA 30 -7.067 -2.934 -6.209 229 HA ALA 30 HA ALA 30 -6.468 -5.431 -4.857 230 HB1 ALA 30 1HB ALA 30 -9.138 -4.125 -5.466 231 HB2 ALA 30 2HB ALA 30 -8.192 -3.907 -3.993 232 HB3 ALA 30 3HB ALA 30 -8.896 -5.480 -4.365 233 H ASP 31 H ASP 31 -7.738 -4.580 -8.000 234 HA ASP 31 HA ASP 31 -8.964 -7.102 -8.605 235 HB2 ASP 31 2HB ASP 31 -7.822 -4.943 -10.386 236 HB3 ASP 31 1HB ASP 31 -8.655 -6.367 -11.008 237 H TRP 32 H TRP 32 -5.641 -6.270 -8.283 238 HA TRP 32 HA TRP 32 -4.336 -7.790 -10.218 239 HB2 TRP 32 2HB TRP 32 -3.716 -7.692 -7.249 240 HB3 TRP 32 1HB TRP 32 -2.639 -8.378 -8.458 241 HD1 TRP 32 HD TRP 32 -2.918 -6.138 -10.701 242 HE1 TRP 32 1HE TRP 32 -1.850 -3.835 -10.303 243 HE3 TRP 32 3HE TRP 32 -2.593 -6.190 -5.623 244 HZ2 TRP 32 2HZ TRP 32 -0.963 -2.227 -8.109 245 HZ3 TRP 32 3HZ TRP 32 -1.632 -4.270 -4.398 246 HH2 TRP 32 HH TRP 32 -0.816 -2.288 -5.631 247 H TRP 33 H TRP 33 -6.132 -8.943 -7.398 248 HA TRP 33 HA TRP 33 -5.611 -11.748 -8.260 249 HB2 TRP 33 2HB TRP 33 -5.350 -10.735 -5.791 250 HB3 TRP 33 1HB TRP 33 -7.063 -11.149 -5.730 251 HD1 TRP 33 HD TRP 33 -7.721 -13.729 -6.113 252 HE1 TRP 33 1HE TRP 33 -6.372 -15.891 -5.720 253 HE3 TRP 33 3HE TRP 33 -3.005 -11.788 -5.835 254 HZ2 TRP 33 2HZ TRP 33 -3.653 -16.691 -5.339 255 HZ3 TRP 33 3HZ TRP 33 -1.056 -13.271 -5.458 256 HH2 TRP 33 HH TRP 33 -1.372 -15.717 -5.210 257 HA PRO 34 HA PRO 34 -9.918 -11.259 -9.683 258 HB2 PRO 34 2HB PRO 34 -9.959 -13.394 -11.370 259 HB3 PRO 34 1HB PRO 34 -9.220 -11.841 -11.802 260 HG2 PRO 34 2HG PRO 34 -7.941 -14.381 -10.981 261 HG3 PRO 34 1HG PRO 34 -7.378 -13.142 -12.112 262 HD2 PRO 34 2HD PRO 34 -6.487 -13.440 -9.483 263 HD3 PRO 34 1HD PRO 34 -6.300 -11.972 -10.467 264 HA PRO 35 HA PRO 35 -12.202 -14.014 -7.111 265 HB2 PRO 35 2HB PRO 35 -14.233 -14.799 -8.878 266 HB3 PRO 35 1HB PRO 35 -14.245 -13.348 -7.862 267 HG2 PRO 35 2HG PRO 35 -13.607 -13.638 -10.739 268 HG3 PRO 35 1HG PRO 35 -14.369 -12.292 -9.875 269 HD2 PRO 35 2HD PRO 35 -11.789 -12.187 -10.719 270 HD3 PRO 35 1HD PRO 35 -12.336 -11.368 -9.238 271 H SER 36 H SER 36 -12.284 -16.221 -6.614 272 HA SER 36 HA SER 36 -11.882 -18.198 -8.774 273 HB2 SER 36 2HB SER 36 -9.900 -19.162 -7.775 274 HB3 SER 36 1HB SER 36 -9.599 -17.446 -8.024 275 HG SER 36 HG SER 36 -10.732 -18.286 -5.606 276 H HIS 37 H HIS 37 -11.903 -20.483 -7.753 277 HA HIS 37 HA HIS 37 -14.292 -20.925 -6.365 278 HB2 HIS 37 2HB HIS 37 -11.769 -22.608 -6.304 279 HB3 HIS 37 1HB HIS 37 -13.366 -23.163 -5.800 280 HD1 HIS 37 1HD HIS 37 -15.283 -22.900 -7.773 281 HD2 HIS 37 2HD HIS 37 -11.299 -22.986 -9.005 282 HE1 HIS 37 1HE HIS 37 -15.309 -23.447 -10.247 283 HE2 HIS 37 2HE HIS 37 -12.890 -23.503 -11.007 284 H VAL 38 H VAL 38 -11.169 -19.994 -5.107 285 HA VAL 38 HA VAL 38 -12.189 -20.339 -2.322 286 HB VAL 38 HB VAL 38 -9.986 -21.389 -2.902 287 HG11 VAL 38 1HG1 VAL 38 -9.317 -19.599 -4.528 288 HG12 VAL 38 2HG1 VAL 38 -8.068 -19.965 -3.338 289 HG13 VAL 38 3HG1 VAL 38 -9.056 -18.515 -3.162 290 HG21 VAL 38 1HG2 VAL 38 -10.325 -20.877 -0.595 291 HG22 VAL 38 2HG2 VAL 38 -10.104 -19.149 -0.871 292 HG23 VAL 38 3HG2 VAL 38 -8.726 -20.243 -0.986 293 H LEU 39 H LEU 39 -12.397 -18.538 -0.997 294 HA LEU 39 HA LEU 39 -12.573 -15.954 -2.322 295 HB2 LEU 39 2HB LEU 39 -12.762 -16.587 0.639 296 HB3 LEU 39 1HB LEU 39 -13.350 -15.133 -0.167 297 HG LEU 39 HG LEU 39 -14.353 -17.961 -0.604 298 HD11 LEU 39 1HD1 LEU 39 -15.186 -16.973 1.461 299 HD12 LEU 39 2HD1 LEU 39 -16.482 -16.969 0.265 300 HD13 LEU 39 3HD1 LEU 39 -15.603 -15.481 0.617 301 HD21 LEU 39 1HD2 LEU 39 -16.116 -16.546 -1.954 302 HD22 LEU 39 2HD2 LEU 39 -14.588 -16.986 -2.718 303 HD23 LEU 39 3HD2 LEU 39 -14.809 -15.366 -2.055 304 H VAL 40 H VAL 40 -11.255 -14.143 -1.979 305 HA VAL 40 HA VAL 40 -8.470 -14.627 -1.510 306 HB VAL 40 HB VAL 40 -8.323 -12.100 -1.495 307 HG11 VAL 40 1HG1 VAL 40 -8.096 -12.629 -3.682 308 HG12 VAL 40 2HG1 VAL 40 -9.785 -12.150 -3.849 309 HG13 VAL 40 3HG1 VAL 40 -9.369 -13.846 -3.603 310 HG21 VAL 40 1HG2 VAL 40 -10.189 -10.785 -1.360 311 HG22 VAL 40 2HG2 VAL 40 -10.916 -12.209 -0.618 312 HG23 VAL 40 3HG2 VAL 40 -11.154 -11.891 -2.335 313 H LYS 41 H LYS 41 -7.186 -14.167 0.327 314 HA LYS 41 HA LYS 41 -8.408 -14.484 2.888 315 HB2 LYS 41 2HB LYS 41 -5.699 -13.349 2.159 316 HB3 LYS 41 1HB LYS 41 -6.183 -13.803 3.790 317 HG2 LYS 41 2HG LYS 41 -6.625 -16.121 2.965 318 HG3 LYS 41 1HG LYS 41 -5.995 -15.643 1.388 319 HD2 LYS 41 2HD LYS 41 -3.844 -15.004 2.489 320 HD3 LYS 41 1HD LYS 41 -4.478 -15.628 4.012 321 HE2 LYS 41 2HE LYS 41 -4.554 -17.853 3.201 322 HE3 LYS 41 1HE LYS 41 -4.401 -17.334 1.522 323 HZ1 LYS 41 1HZ LYS 41 -2.278 -16.788 3.503 324 HZ2 LYS 41 2HZ LYS 41 -2.168 -16.806 1.808 325 HZ3 LYS 41 3HZ LYS 41 -2.343 -18.263 2.667 326 H LYS 42 H LYS 42 -7.480 -11.657 1.016 327 HA LYS 42 HA LYS 42 -8.248 -9.803 3.176 328 HB2 LYS 42 2HB LYS 42 -7.640 -8.043 1.600 329 HB3 LYS 42 1HB LYS 42 -6.376 -9.272 1.580 330 HG2 LYS 42 2HG LYS 42 -7.394 -10.290 -0.434 331 HG3 LYS 42 1HG LYS 42 -8.647 -9.050 -0.429 332 HD2 LYS 42 2HD LYS 42 -6.871 -7.315 -0.604 333 HD3 LYS 42 1HD LYS 42 -5.678 -8.603 -0.778 334 HE2 LYS 42 2HE LYS 42 -6.578 -9.309 -2.849 335 HE3 LYS 42 1HE LYS 42 -8.094 -8.452 -2.577 336 HZ1 LYS 42 1HZ LYS 42 -5.952 -6.631 -2.457 337 HZ2 LYS 42 2HZ LYS 42 -7.253 -6.669 -3.548 338 HZ3 LYS 42 3HZ LYS 42 -5.827 -7.526 -3.892 339 H GLU 43 H GLU 43 -9.921 -8.072 2.585 340 HA GLU 43 HA GLU 43 -12.086 -9.307 0.942 341 HB2 GLU 43 2HB GLU 43 -12.360 -7.522 3.364 342 HB3 GLU 43 1HB GLU 43 -13.698 -8.165 2.414 343 HG2 GLU 43 2HG GLU 43 -12.941 -10.470 2.948 344 HG3 GLU 43 1HG GLU 43 -11.659 -9.797 3.955 345 H ARG 44 H ARG 44 -11.881 -8.217 -0.984 346 HA ARG 44 HA ARG 44 -11.987 -5.233 -0.845 347 HB2 ARG 44 2HB ARG 44 -10.482 -6.874 -2.903 348 HB3 ARG 44 1HB ARG 44 -10.547 -5.114 -2.813 349 HG2 ARG 44 2HG ARG 44 -9.516 -6.815 -0.536 350 HG3 ARG 44 1HG ARG 44 -8.468 -6.203 -1.811 351 HD2 ARG 44 2HD ARG 44 -9.361 -3.879 -1.265 352 HD3 ARG 44 1HD ARG 44 -10.090 -4.595 0.172 353 HE ARG 44 HE ARG 44 -7.956 -4.621 1.148 354 HH11 ARG 44 1HH1 ARG 44 -5.704 -4.423 1.113 355 HH12 ARG 44 2HH1 ARG 44 -4.883 -4.296 -0.407 356 HH21 ARG 44 1HH2 ARG 44 -7.787 -4.482 -2.293 357 HH22 ARG 44 2HH2 ARG 44 -6.062 -4.330 -2.336 358 H ALA 45 H ALA 45 -13.399 -4.255 -2.286 359 HA ALA 45 HA ALA 45 -14.896 -6.034 -4.159 360 HB1 ALA 45 1HB ALA 45 -15.895 -4.439 -1.877 361 HB2 ALA 45 2HB ALA 45 -16.612 -5.848 -2.661 362 HB3 ALA 45 3HB ALA 45 -16.804 -4.247 -3.376 363 H GLY 46 H GLY 46 -14.290 -2.670 -3.162 364 HA2 GLY 46 2HA GLY 46 -13.940 -1.926 -6.010 365 HA3 GLY 46 1HA GLY 46 -15.171 -1.059 -5.097 366 H LEU 47 H LEU 47 -13.115 0.471 -6.066 367 HA LEU 47 HA LEU 47 -11.748 1.226 -3.553 368 HB2 LEU 47 2HB LEU 47 -10.204 0.845 -6.133 369 HB3 LEU 47 1HB LEU 47 -9.554 1.338 -4.572 370 HG LEU 47 HG LEU 47 -10.513 -0.915 -3.700 371 HD11 LEU 47 1HD1 LEU 47 -11.373 -1.065 -6.384 372 HD12 LEU 47 2HD1 LEU 47 -11.412 -2.359 -5.189 373 HD13 LEU 47 3HD1 LEU 47 -10.023 -2.188 -6.258 374 HD21 LEU 47 1HD2 LEU 47 -8.058 -0.249 -5.136 375 HD22 LEU 47 2HD2 LEU 47 -8.416 -1.972 -5.176 376 HD23 LEU 47 3HD2 LEU 47 -8.267 -1.138 -3.630 377 H ALA 48 H ALA 48 -11.567 3.422 -3.353 378 HA ALA 48 HA ALA 48 -12.282 5.057 -5.747 379 HB1 ALA 48 1HB ALA 48 -13.425 6.460 -4.368 380 HB2 ALA 48 2HB ALA 48 -12.132 6.462 -3.171 381 HB3 ALA 48 3HB ALA 48 -13.327 5.164 -3.178 382 H PHE 49 H PHE 49 -10.700 6.382 -6.582 383 HA PHE 49 HA PHE 49 -8.219 6.756 -4.949 384 HB2 PHE 49 2HB PHE 49 -8.617 5.404 -7.530 385 HB3 PHE 49 1HB PHE 49 -7.297 6.569 -7.512 386 HD1 PHE 49 1HD PHE 49 -8.283 3.252 -6.706 387 HD2 PHE 49 2HD PHE 49 -5.639 6.411 -5.500 388 HE1 PHE 49 1HE PHE 49 -6.795 1.592 -5.624 389 HE2 PHE 49 2HE PHE 49 -4.151 4.747 -4.414 390 HZ PHE 49 HZ PHE 49 -4.722 2.342 -4.494 391 H GLU 50 H GLU 50 -7.673 8.893 -4.862 392 HA GLU 50 HA GLU 50 -8.271 10.546 -7.267 393 HB2 GLU 50 2HB GLU 50 -8.437 12.210 -4.962 394 HB3 GLU 50 1HB GLU 50 -9.688 11.864 -6.144 395 HG2 GLU 50 2HG GLU 50 -10.392 9.896 -4.924 396 HG3 GLU 50 1HG GLU 50 -9.041 10.051 -3.804 397 HA PRO 51 HA PRO 51 -3.960 11.627 -6.531 398 HB2 PRO 51 2HB PRO 51 -3.591 13.425 -8.478 399 HB3 PRO 51 1HB PRO 51 -3.953 11.729 -8.867 400 HG2 PRO 51 2HG PRO 51 -5.775 14.095 -8.853 401 HG3 PRO 51 1HG PRO 51 -5.644 12.782 -10.037 402 HD2 PRO 51 2HD PRO 51 -7.556 12.867 -8.033 403 HD3 PRO 51 1HD PRO 51 -6.991 11.379 -8.829 404 H PHE 52 H PHE 52 -2.792 13.180 -5.328 405 HA PHE 52 HA PHE 52 -3.026 15.925 -5.226 406 HB2 PHE 52 2HB PHE 52 -4.487 16.105 -3.039 407 HB3 PHE 52 1HB PHE 52 -5.264 16.105 -4.614 408 HD1 PHE 52 1HD PHE 52 -7.347 15.376 -3.384 409 HD2 PHE 52 2HD PHE 52 -3.833 12.901 -3.524 410 HE1 PHE 52 1HE PHE 52 -8.687 13.395 -2.719 411 HE2 PHE 52 2HE PHE 52 -5.179 10.945 -2.891 412 HZ PHE 52 HZ PHE 52 -7.584 11.172 -2.487 413 H VAL 53 H VAL 53 -2.396 16.872 -2.989 414 HA VAL 53 HA VAL 53 -0.314 15.111 -1.836 415 HB VAL 53 HB VAL 53 0.825 17.064 -1.769 416 HG11 VAL 53 1HG1 VAL 53 -0.740 17.876 -3.516 417 HG12 VAL 53 2HG1 VAL 53 -0.184 19.179 -2.465 418 HG13 VAL 53 3HG1 VAL 53 -1.798 18.505 -2.250 419 HG21 VAL 53 1HG2 VAL 53 -1.339 18.066 0.114 420 HG22 VAL 53 2HG2 VAL 53 0.307 18.680 -0.018 421 HG23 VAL 53 3HG2 VAL 53 0.025 17.055 0.600 422 H GLY 54 H GLY 54 -0.429 14.446 0.398 423 HA2 GLY 54 2HA GLY 54 -1.584 13.945 2.416 424 HA3 GLY 54 1HA GLY 54 -2.494 15.450 2.178 425 H GLY 55 H GLY 55 -2.142 13.064 -0.254 426 HA2 GLY 55 2HA GLY 55 -4.921 12.927 -0.837 427 HA3 GLY 55 1HA GLY 55 -3.653 11.933 -1.534 428 H ARG 56 H ARG 56 -5.884 10.624 -1.306 429 HA ARG 56 HA ARG 56 -5.343 8.770 0.945 430 HB2 ARG 56 2HB ARG 56 -8.041 10.057 0.450 431 HB3 ARG 56 1HB ARG 56 -7.742 8.742 1.584 432 HG2 ARG 56 2HG ARG 56 -6.094 10.202 2.768 433 HG3 ARG 56 1HG ARG 56 -6.544 11.524 1.694 434 HD2 ARG 56 2HD ARG 56 -8.926 11.231 2.452 435 HD3 ARG 56 1HD ARG 56 -8.346 10.076 3.651 436 HE ARG 56 HE ARG 56 -6.794 12.220 4.228 437 HH11 ARG 56 1HH1 ARG 56 -7.391 14.000 5.484 438 HH12 ARG 56 2HH1 ARG 56 -9.060 14.453 5.584 439 HH21 ARG 56 1HH2 ARG 56 -10.154 11.903 3.507 440 HH22 ARG 56 2HH2 ARG 56 -10.623 13.267 4.465 441 H TYR 57 H TYR 57 -6.063 6.673 0.578 442 HA TYR 57 HA TYR 57 -7.271 6.123 -2.104 443 HB2 TYR 57 2HB TYR 57 -5.463 4.251 -0.557 444 HB3 TYR 57 1HB TYR 57 -6.032 4.060 -2.209 445 HD1 TYR 57 1HD TYR 57 -5.575 6.998 -3.106 446 HD2 TYR 57 2HD TYR 57 -3.132 4.184 -0.959 447 HE1 TYR 57 1HE TYR 57 -3.554 8.142 -3.918 448 HE2 TYR 57 2HE TYR 57 -1.100 5.329 -1.783 449 HH TYR 57 HH TYR 57 -0.600 6.823 -3.960 450 H TYR 58 H TYR 58 -9.089 4.861 -2.053 451 HA TYR 58 HA TYR 58 -9.964 3.923 0.653 452 HB2 TYR 58 2HB TYR 58 -11.666 4.824 -1.671 453 HB3 TYR 58 1HB TYR 58 -12.217 4.469 -0.037 454 HD1 TYR 58 1HD TYR 58 -12.279 6.171 1.581 455 HD2 TYR 58 2HD TYR 58 -9.861 6.670 -1.940 456 HE1 TYR 58 1HE TYR 58 -11.786 8.508 2.250 457 HE2 TYR 58 2HE TYR 58 -9.372 9.007 -1.268 458 HH TYR 58 HH TYR 58 -11.086 10.721 0.804 459 H GLU 59 H GLU 59 -10.742 1.855 0.836 460 HA GLU 59 HA GLU 59 -10.983 0.238 -1.670 461 HB2 GLU 59 2HB GLU 59 -10.014 -1.665 -0.499 462 HB3 GLU 59 1HB GLU 59 -8.897 -0.306 -0.397 463 HG2 GLU 59 2HG GLU 59 -9.860 0.248 1.851 464 HG3 GLU 59 1HG GLU 59 -10.830 -1.222 1.751 465 H TRP 60 H TRP 60 -12.721 -1.171 -1.728 466 HA TRP 60 HA TRP 60 -14.669 -0.897 0.518 467 HB2 TRP 60 2HB TRP 60 -14.886 -1.179 -2.424 468 HB3 TRP 60 1HB TRP 60 -16.062 -2.104 -1.488 469 HD1 TRP 60 HD TRP 60 -17.112 -0.436 0.667 470 HE1 TRP 60 1HE TRP 60 -18.146 1.908 0.326 471 HE3 TRP 60 3HE TRP 60 -15.056 0.795 -3.834 472 HZ2 TRP 60 2HZ TRP 60 -18.090 4.028 -1.614 473 HZ3 TRP 60 3HZ TRP 60 -15.547 2.963 -4.906 474 HH2 TRP 60 HH TRP 60 -17.056 4.579 -3.809 475 H ASP 61 H ASP 61 -15.110 -2.714 1.715 476 HA ASP 61 HA ASP 61 -13.963 -5.295 0.722 477 HB2 ASP 61 2HB ASP 61 -14.765 -4.477 3.529 478 HB3 ASP 61 1HB ASP 61 -14.050 -6.021 3.076 479 H ILE 62 H ILE 62 -15.380 -7.010 0.395 480 HA ILE 62 HA ILE 62 -18.093 -6.550 -0.109 481 HB ILE 62 HB ILE 62 -18.307 -9.090 0.198 482 HG12 ILE 62 2HG1 ILE 62 -15.997 -8.719 1.672 483 HG13 ILE 62 1HG1 ILE 62 -16.583 -10.269 1.079 484 HG21 ILE 62 1HG2 ILE 62 -16.240 -7.849 -1.630 485 HG22 ILE 62 2HG2 ILE 62 -17.945 -8.127 -1.980 486 HG23 ILE 62 3HG2 ILE 62 -16.847 -9.495 -1.816 487 HD11 ILE 62 1HD1 ILE 62 -15.205 -10.083 -0.914 488 HD12 ILE 62 2HD1 ILE 62 -14.191 -9.802 0.493 489 HD13 ILE 62 3HD1 ILE 62 -14.733 -8.438 -0.481 490 H ASP 63 H ASP 63 -16.505 -7.328 2.919 491 HA ASP 63 HA ASP 63 -19.170 -7.491 4.255 492 HB2 ASP 63 2HB ASP 63 -16.394 -8.232 5.223 493 HB3 ASP 63 1HB ASP 63 -17.850 -8.322 6.214 494 H GLY 64 H GLY 64 -16.367 -5.514 3.845 495 HA2 GLY 64 2HA GLY 64 -17.289 -3.745 6.062 496 HA3 GLY 64 1HA GLY 64 -15.633 -3.784 5.464 497 H THR 65 H THR 65 -17.937 -1.730 5.575 498 HA THR 65 HA THR 65 -18.686 -0.977 2.951 499 HB THR 65 HB THR 65 -18.083 1.041 5.083 500 HG1 THR 65 1HG THR 65 -20.503 0.093 5.449 501 HG21 THR 65 1HG2 THR 65 -19.632 2.298 3.990 502 HG22 THR 65 2HG2 THR 65 -20.689 0.914 3.712 503 HG23 THR 65 3HG2 THR 65 -19.311 1.198 2.649 504 H GLU 66 H GLU 66 -17.612 1.805 3.088 505 HA GLU 66 HA GLU 66 -15.162 1.292 1.568 506 HB2 GLU 66 2HB GLU 66 -16.936 3.162 1.160 507 HB3 GLU 66 1HB GLU 66 -16.084 4.020 2.434 508 HG2 GLU 66 2HG GLU 66 -13.958 3.659 1.168 509 HG3 GLU 66 1HG GLU 66 -14.920 3.003 -0.154 510 H ILE 67 H ILE 67 -13.083 1.566 2.307 511 HA ILE 67 HA ILE 67 -12.700 2.839 4.976 512 HB ILE 67 HB ILE 67 -11.489 0.195 4.131 513 HG12 ILE 67 2HG1 ILE 67 -13.537 0.782 6.278 514 HG13 ILE 67 1HG1 ILE 67 -13.930 0.104 4.696 515 HG21 ILE 67 1HG2 ILE 67 -9.995 1.478 5.565 516 HG22 ILE 67 2HG2 ILE 67 -10.706 0.165 6.503 517 HG23 ILE 67 3HG2 ILE 67 -11.312 1.811 6.688 518 HD11 ILE 67 1HD1 ILE 67 -13.388 -1.950 5.432 519 HD12 ILE 67 2HD1 ILE 67 -13.019 -1.278 7.022 520 HD13 ILE 67 3HD1 ILE 67 -11.754 -1.392 5.796 521 H VAL 68 H VAL 68 -10.626 3.778 5.272 522 HA VAL 68 HA VAL 68 -9.078 4.144 2.745 523 HB VAL 68 HB VAL 68 -9.845 6.216 3.876 524 HG11 VAL 68 1HG1 VAL 68 -9.757 5.063 6.184 525 HG12 VAL 68 2HG1 VAL 68 -9.250 6.750 6.105 526 HG13 VAL 68 3HG1 VAL 68 -8.042 5.468 6.179 527 HG21 VAL 68 1HG2 VAL 68 -7.780 7.359 3.756 528 HG22 VAL 68 2HG2 VAL 68 -7.527 5.946 2.732 529 HG23 VAL 68 3HG2 VAL 68 -6.878 5.973 4.370 530 H TRP 69 H TRP 69 -7.180 2.996 2.602 531 HA TRP 69 HA TRP 69 -6.096 1.880 5.158 532 HB2 TRP 69 2HB TRP 69 -5.404 -0.020 4.011 533 HB3 TRP 69 1HB TRP 69 -6.908 0.382 3.185 534 HD1 TRP 69 HD TRP 69 -3.110 0.563 2.757 535 HE1 TRP 69 1HE TRP 69 -2.576 0.874 0.256 536 HE3 TRP 69 3HE TRP 69 -7.827 1.210 0.927 537 HZ2 TRP 69 2HZ TRP 69 -3.969 1.322 -2.201 538 HZ3 TRP 69 3HZ TRP 69 -8.190 1.564 -1.498 539 HH2 TRP 69 HH TRP 69 -6.281 1.621 -3.056 540 H GLY 70 H GLY 70 -5.400 4.401 3.129 541 HA2 GLY 70 2HA GLY 70 -2.648 4.475 4.102 542 HA3 GLY 70 1HA GLY 70 -2.755 4.235 2.362 543 H ARG 71 H ARG 71 -1.483 6.461 2.968 544 HA ARG 71 HA ARG 71 -3.413 8.597 2.261 545 HB2 ARG 71 2HB ARG 71 -2.504 8.348 4.861 546 HB3 ARG 71 1HB ARG 71 -1.351 9.473 4.161 547 HG2 ARG 71 2HG ARG 71 -3.247 10.852 3.321 548 HG3 ARG 71 1HG ARG 71 -4.358 9.766 4.149 549 HD2 ARG 71 2HD ARG 71 -2.728 10.330 6.209 550 HD3 ARG 71 1HD ARG 71 -2.505 11.807 5.273 551 HE ARG 71 HE ARG 71 -5.276 11.392 5.375 552 HH11 ARG 71 1HH1 ARG 71 -6.536 12.403 6.954 553 HH12 ARG 71 2HH1 ARG 71 -5.795 12.931 8.427 554 HH21 ARG 71 1HH2 ARG 71 -2.628 11.832 7.538 555 HH22 ARG 71 2HH2 ARG 71 -3.582 12.608 8.758 556 H ILE 72 H ILE 72 -1.849 10.681 1.855 557 HA ILE 72 HA ILE 72 0.630 9.717 0.502 558 HB ILE 72 HB ILE 72 -1.346 11.676 -0.691 559 HG12 ILE 72 2HG1 ILE 72 -0.630 8.906 -1.664 560 HG13 ILE 72 1HG1 ILE 72 -2.040 9.237 -0.663 561 HG21 ILE 72 1HG2 ILE 72 0.626 12.335 -1.660 562 HG22 ILE 72 2HG2 ILE 72 0.259 10.966 -2.710 563 HG23 ILE 72 3HG2 ILE 72 1.398 10.773 -1.379 564 HD11 ILE 72 1HD1 ILE 72 -1.991 11.138 -2.805 565 HD12 ILE 72 2HD1 ILE 72 -3.201 9.896 -2.476 566 HD13 ILE 72 3HD1 ILE 72 -1.806 9.529 -3.487 567 H LEU 73 H LEU 73 2.175 11.594 0.085 568 HA LEU 73 HA LEU 73 1.796 13.729 2.145 569 HB2 LEU 73 2HB LEU 73 4.313 12.348 1.190 570 HB3 LEU 73 1HB LEU 73 4.339 13.834 2.136 571 HG LEU 73 HG LEU 73 2.736 11.493 3.119 572 HD11 LEU 73 1HD1 LEU 73 4.661 10.588 4.263 573 HD12 LEU 73 2HD1 LEU 73 5.687 11.892 3.664 574 HD13 LEU 73 3HD1 LEU 73 5.048 10.688 2.550 575 HD21 LEU 73 1HD2 LEU 73 3.289 12.498 5.300 576 HD22 LEU 73 2HD2 LEU 73 2.587 13.717 4.241 577 HD23 LEU 73 3HD2 LEU 73 4.328 13.678 4.505 578 H GLU 74 H GLU 74 3.260 13.002 -1.001 579 HA GLU 74 HA GLU 74 2.339 15.416 -2.233 580 HB2 GLU 74 2HB GLU 74 4.107 16.363 -0.699 581 HB3 GLU 74 1HB GLU 74 5.299 15.384 -1.556 582 HG2 GLU 74 2HG GLU 74 4.649 16.503 -3.683 583 HG3 GLU 74 1HG GLU 74 3.537 17.529 -2.777 584 H TRP 75 H TRP 75 3.066 15.490 -4.503 585 HA TRP 75 HA TRP 75 4.264 12.898 -5.384 586 HB2 TRP 75 2HB TRP 75 2.916 13.112 -7.421 587 HB3 TRP 75 1HB TRP 75 1.876 13.178 -5.995 588 HD1 TRP 75 HD TRP 75 1.130 15.685 -5.177 589 HE1 TRP 75 1HE TRP 75 0.630 17.784 -6.590 590 HE3 TRP 75 3HE TRP 75 3.453 14.388 -9.535 591 HZ2 TRP 75 2HZ TRP 75 1.146 18.779 -9.221 592 HZ3 TRP 75 3HZ TRP 75 3.433 15.927 -11.477 593 HH2 TRP 75 HH TRP 75 2.284 18.119 -11.326 594 H ASP 76 H ASP 76 6.107 13.024 -6.592 595 HA ASP 76 HA ASP 76 7.025 15.727 -7.409 596 HB2 ASP 76 2HB ASP 76 8.381 13.819 -6.064 597 HB3 ASP 76 1HB ASP 76 8.820 13.391 -7.719 598 HA PRO 77 HA PRO 77 5.464 14.765 -11.539 599 HB2 PRO 77 2HB PRO 77 7.691 16.617 -12.277 600 HB3 PRO 77 1HB PRO 77 6.013 16.587 -12.833 601 HG2 PRO 77 2HG PRO 77 6.873 18.329 -10.993 602 HG3 PRO 77 1HG PRO 77 5.231 17.666 -10.984 603 HD2 PRO 77 2HD PRO 77 7.475 17.112 -9.139 604 HD3 PRO 77 1HD PRO 77 5.729 16.889 -8.890 605 HA PRO 78 HA PRO 78 9.806 13.372 -13.460 606 HB2 PRO 78 2HB PRO 78 11.419 12.538 -11.261 607 HB3 PRO 78 1HB PRO 78 11.738 13.876 -12.372 608 HG2 PRO 78 2HG PRO 78 10.542 13.918 -9.667 609 HG3 PRO 78 1HG PRO 78 11.536 15.133 -10.488 610 HD2 PRO 78 2HD PRO 78 8.903 15.508 -10.177 611 HD3 PRO 78 1HD PRO 78 9.728 16.018 -11.666 612 H HIS 79 H HIS 79 10.182 11.583 -10.460 613 HA HIS 79 HA HIS 79 8.112 9.646 -11.025 614 HB2 HIS 79 2HB HIS 79 9.784 7.779 -11.382 615 HB3 HIS 79 1HB HIS 79 9.677 8.920 -12.722 616 HD1 HIS 79 1HD HIS 79 11.589 9.298 -9.445 617 HD2 HIS 79 2HD HIS 79 12.311 9.168 -13.551 618 HE1 HIS 79 1HE HIS 79 14.052 9.811 -9.758 619 HE2 HIS 79 2HE HIS 79 14.502 9.729 -12.253 620 H ARG 80 H ARG 80 8.867 11.335 -8.859 621 HA ARG 80 HA ARG 80 9.616 9.265 -6.835 622 HB2 ARG 80 2HB ARG 80 11.546 10.783 -7.268 623 HB3 ARG 80 1HB ARG 80 10.529 12.161 -6.836 624 HG2 ARG 80 2HG ARG 80 10.230 11.288 -4.587 625 HG3 ARG 80 1HG ARG 80 11.115 9.820 -5.008 626 HD2 ARG 80 2HD ARG 80 12.677 11.239 -3.880 627 HD3 ARG 80 1HD ARG 80 13.085 11.315 -5.592 628 HE ARG 80 HE ARG 80 11.267 13.424 -5.057 629 HH11 ARG 80 1HH1 ARG 80 12.064 15.514 -4.728 630 HH12 ARG 80 2HH1 ARG 80 13.716 15.731 -4.257 631 HH21 ARG 80 1HH2 ARG 80 14.434 12.338 -4.232 632 HH22 ARG 80 2HH2 ARG 80 15.058 13.935 -3.977 633 H LEU 81 H LEU 81 8.488 9.435 -4.870 634 HA LEU 81 HA LEU 81 6.756 11.725 -4.351 635 HB2 LEU 81 2HB LEU 81 4.658 10.374 -4.427 636 HB3 LEU 81 1HB LEU 81 5.393 10.620 -6.012 637 HG LEU 81 HG LEU 81 6.635 8.316 -5.095 638 HD11 LEU 81 1HD1 LEU 81 5.071 8.179 -3.232 639 HD12 LEU 81 2HD1 LEU 81 4.750 6.879 -4.381 640 HD13 LEU 81 3HD1 LEU 81 3.708 8.303 -4.342 641 HD21 LEU 81 1HD2 LEU 81 4.165 8.645 -6.821 642 HD22 LEU 81 2HD2 LEU 81 5.180 7.204 -6.779 643 HD23 LEU 81 3HD2 LEU 81 5.838 8.730 -7.371 644 H ALA 82 H ALA 82 6.234 11.840 -2.220 645 HA ALA 82 HA ALA 82 7.023 9.524 -0.501 646 HB1 ALA 82 1HB ALA 82 6.673 12.466 0.187 647 HB2 ALA 82 2HB ALA 82 8.213 11.624 0.016 648 HB3 ALA 82 3HB ALA 82 7.120 11.205 1.336 649 H MET 83 H MET 83 5.429 8.789 1.072 650 HA MET 83 HA MET 83 2.788 10.117 0.891 651 HB2 MET 83 2HB MET 83 1.776 7.748 0.680 652 HB3 MET 83 1HB MET 83 2.463 8.485 -0.768 653 HG2 MET 83 2HG MET 83 4.494 7.223 -0.551 654 HG3 MET 83 1HG MET 83 4.054 6.679 1.067 655 HE1 MET 83 1HE MET 83 3.211 5.408 -2.987 656 HE2 MET 83 2HE MET 83 3.181 7.067 -2.400 657 HE3 MET 83 3HE MET 83 1.671 6.186 -2.603 658 H THR 84 H THR 84 1.362 9.671 2.632 659 HA THR 84 HA THR 84 2.679 8.322 4.957 660 HB THR 84 HB THR 84 2.346 10.471 5.776 661 HG1 THR 84 1HG THR 84 -0.028 9.021 6.235 662 HG21 THR 84 1HG2 THR 84 -0.328 11.205 5.165 663 HG22 THR 84 2HG2 THR 84 0.435 10.722 3.657 664 HG23 THR 84 3HG2 THR 84 1.151 11.991 4.641 665 H TRP 85 H TRP 85 1.104 7.091 6.368 666 HA TRP 85 HA TRP 85 -1.006 5.918 4.613 667 HB2 TRP 85 2HB TRP 85 0.784 4.811 6.726 668 HB3 TRP 85 1HB TRP 85 -0.810 4.078 6.527 669 HD1 TRP 85 HD TRP 85 1.246 5.519 3.626 670 HE1 TRP 85 1HE TRP 85 1.813 3.608 1.994 671 HE3 TRP 85 3HE TRP 85 -0.532 1.537 6.281 672 HZ2 TRP 85 2HZ TRP 85 1.549 0.765 1.834 673 HZ3 TRP 85 3HZ TRP 85 -0.361 -0.760 5.367 674 HH2 TRP 85 HH TRP 85 0.676 -1.150 3.149 675 H ARG 86 H ARG 86 -3.124 6.139 5.171 676 HA ARG 86 HA ARG 86 -3.726 7.060 7.963 677 HB2 ARG 86 2HB ARG 86 -4.311 8.710 6.177 678 HB3 ARG 86 1HB ARG 86 -5.374 7.504 5.453 679 HG2 ARG 86 2HG ARG 86 -6.636 7.384 7.602 680 HG3 ARG 86 1HG ARG 86 -5.618 8.677 8.239 681 HD2 ARG 86 2HD ARG 86 -6.358 10.128 6.338 682 HD3 ARG 86 1HD ARG 86 -7.470 8.852 5.846 683 HE ARG 86 HE ARG 86 -7.859 9.557 8.624 684 HH11 ARG 86 1HH1 ARG 86 -9.737 10.720 9.118 685 HH12 ARG 86 2HH1 ARG 86 -10.603 11.519 7.848 686 HH21 ARG 86 1HH2 ARG 86 -8.417 10.502 5.356 687 HH22 ARG 86 2HH2 ARG 86 -9.856 11.395 5.718 688 H ILE 87 H ILE 87 -4.192 5.088 8.961 689 HA ILE 87 HA ILE 87 -6.544 3.647 7.859 690 HB ILE 87 HB ILE 87 -4.367 2.486 7.202 691 HG12 ILE 87 2HG1 ILE 87 -6.118 0.831 9.036 692 HG13 ILE 87 1HG1 ILE 87 -6.699 1.421 7.478 693 HG21 ILE 87 1HG2 ILE 87 -3.105 1.364 8.881 694 HG22 ILE 87 2HG2 ILE 87 -4.328 1.675 10.114 695 HG23 ILE 87 3HG2 ILE 87 -3.340 3.000 9.499 696 HD11 ILE 87 1HD1 ILE 87 -5.115 0.158 6.272 697 HD12 ILE 87 2HD1 ILE 87 -5.621 -0.938 7.555 698 HD13 ILE 87 3HD1 ILE 87 -4.089 -0.073 7.685 699 H ASP 88 H ASP 88 -7.529 2.195 9.523 700 HA ASP 88 HA ASP 88 -7.195 3.396 12.238 701 HB2 ASP 88 2HB ASP 88 -9.592 1.787 11.736 702 HB3 ASP 88 1HB ASP 88 -9.452 3.417 12.400 703 H GLY 89 H GLY 89 -7.459 1.912 14.078 704 HA2 GLY 89 2HA GLY 89 -5.868 -0.434 13.870 705 HA3 GLY 89 1HA GLY 89 -6.916 -0.051 15.237 706 H HIS 90 H HIS 90 -9.416 -0.047 13.864 707 HA HIS 90 HA HIS 90 -9.635 -2.962 13.241 708 HB2 HIS 90 2HB HIS 90 -11.116 -1.259 14.991 709 HB3 HIS 90 1HB HIS 90 -12.199 -1.794 13.711 710 HD1 HIS 90 1HD HIS 90 -11.259 -2.849 16.914 711 HD2 HIS 90 2HD HIS 90 -11.545 -4.831 13.255 712 HE1 HIS 90 1HE HIS 90 -11.446 -5.320 17.450 713 HE2 HIS 90 2HE HIS 90 -11.621 -6.536 15.230 714 H TRP 91 H TRP 91 -8.871 -0.945 11.279 715 HA TRP 91 HA TRP 91 -9.396 -0.335 9.079 716 HB2 TRP 91 2HB TRP 91 -11.290 -2.677 9.425 717 HB3 TRP 91 1HB TRP 91 -10.991 -1.870 7.893 718 HD1 TRP 91 HD TRP 91 -8.420 -1.954 6.971 719 HE1 TRP 91 1HE TRP 91 -6.666 -3.825 7.213 720 HE3 TRP 91 3HE TRP 91 -10.372 -4.500 10.928 721 HZ2 TRP 91 2HZ TRP 91 -6.174 -6.119 8.873 722 HZ3 TRP 91 3HZ TRP 91 -9.260 -6.518 11.820 723 HH2 TRP 91 HH TRP 91 -7.156 -7.330 10.796 724 H GLN 92 H GLN 92 -11.000 0.834 11.395 725 HA GLN 92 HA GLN 92 -13.539 1.450 9.955 726 HB2 GLN 92 2HB GLN 92 -12.686 2.019 12.811 727 HB3 GLN 92 1HB GLN 92 -14.248 2.460 12.119 728 HG2 GLN 92 2HG GLN 92 -14.735 0.096 11.663 729 HG3 GLN 92 1HG GLN 92 -13.159 -0.357 12.297 730 HE21 GLN 92 1HE2 GLN 92 -15.553 -1.369 13.485 731 HE22 GLN 92 2HE2 GLN 92 -15.707 -0.704 15.038 732 H SER 93 H SER 93 -12.953 3.022 8.468 733 HA SER 93 HA SER 93 -11.036 4.990 8.581 734 HB2 SER 93 2HB SER 93 -12.492 4.707 6.641 735 HB3 SER 93 1HB SER 93 -13.872 5.308 7.559 736 HG SER 93 HG SER 93 -12.152 7.153 7.885 737 H VAL 94 H VAL 94 -10.699 6.870 9.676 738 HA VAL 94 HA VAL 94 -12.861 7.839 11.502 739 HB VAL 94 HB VAL 94 -10.618 8.570 12.838 740 HG11 VAL 94 1HG1 VAL 94 -11.937 5.842 13.017 741 HG12 VAL 94 2HG1 VAL 94 -12.575 7.322 13.732 742 HG13 VAL 94 3HG1 VAL 94 -11.049 6.652 14.307 743 HG21 VAL 94 1HG2 VAL 94 -8.872 7.027 12.641 744 HG22 VAL 94 2HG2 VAL 94 -9.383 7.198 10.962 745 HG23 VAL 94 3HG2 VAL 94 -9.905 5.802 11.904 746 HA PRO 95 HA PRO 95 -12.413 11.859 9.794 747 HB2 PRO 95 2HB PRO 95 -11.876 13.320 12.166 748 HB3 PRO 95 1HB PRO 95 -13.461 13.039 11.427 749 HG2 PRO 95 2HG PRO 95 -12.174 11.678 13.705 750 HG3 PRO 95 1HG PRO 95 -13.892 11.919 13.351 751 HD2 PRO 95 2HD PRO 95 -12.682 9.504 13.062 752 HD3 PRO 95 1HD PRO 95 -14.023 10.023 12.015 753 H ASP 96 H ASP 96 -9.921 10.841 12.083 754 HA ASP 96 HA ASP 96 -7.830 11.766 10.286 755 HB2 ASP 96 2HB ASP 96 -8.616 13.833 11.650 756 HB3 ASP 96 1HB ASP 96 -7.805 13.043 13.004 757 H ASP 97 H ASP 97 -5.756 10.933 10.926 758 HA ASP 97 HA ASP 97 -5.951 8.816 13.010 759 HB2 ASP 97 2HB ASP 97 -4.144 9.148 10.607 760 HB3 ASP 97 1HB ASP 97 -3.900 7.914 11.842 761 H ASP 98 H ASP 98 -5.009 9.336 14.910 762 HA ASP 98 HA ASP 98 -3.038 11.500 15.058 763 HB2 ASP 98 2HB ASP 98 -4.250 9.681 17.146 764 HB3 ASP 98 1HB ASP 98 -3.109 10.972 17.511 765 H ARG 99 H ARG 99 -3.053 8.097 14.716 766 HA ARG 99 HA ARG 99 -0.237 7.892 15.642 767 HB2 ARG 99 2HB ARG 99 -0.829 5.352 15.238 768 HB3 ARG 99 1HB ARG 99 -1.392 6.169 16.699 769 HG2 ARG 99 2HG ARG 99 -3.567 6.564 15.713 770 HG3 ARG 99 1HG ARG 99 -3.018 5.957 14.150 771 HD2 ARG 99 2HD ARG 99 -4.227 4.160 15.169 772 HD3 ARG 99 1HD ARG 99 -2.519 3.753 15.321 773 HE ARG 99 HE ARG 99 -3.525 5.197 17.637 774 HH11 ARG 99 1HH1 ARG 99 -3.668 3.999 19.550 775 HH12 ARG 99 2HH1 ARG 99 -3.593 2.270 19.480 776 HH21 ARG 99 1HH2 ARG 99 -3.245 2.158 16.031 777 HH22 ARG 99 2HH2 ARG 99 -3.353 1.228 17.488 778 H ALA 100 H ALA 100 -0.915 9.156 13.108 779 HA ALA 100 HA ALA 100 -0.331 7.144 11.046 780 HB1 ALA 100 1HB ALA 100 -1.785 9.418 10.964 781 HB2 ALA 100 2HB ALA 100 -1.035 8.711 9.533 782 HB3 ALA 100 3HB ALA 100 -0.239 10.037 10.381 783 H SER 101 H SER 101 1.531 7.231 9.682 784 HA SER 101 HA SER 101 3.860 8.738 10.801 785 HB2 SER 101 2HB SER 101 5.275 6.820 10.498 786 HB3 SER 101 1HB SER 101 3.855 6.258 11.374 787 HG SER 101 HG SER 101 3.011 5.771 9.184 788 H GLU 102 H GLU 102 5.704 8.749 9.067 789 HA GLU 102 HA GLU 102 4.415 9.303 6.430 790 HB2 GLU 102 2HB GLU 102 7.024 10.340 7.573 791 HB3 GLU 102 1HB GLU 102 6.344 10.782 6.007 792 HG2 GLU 102 2HG GLU 102 4.318 11.654 7.162 793 HG3 GLU 102 1HG GLU 102 5.074 11.288 8.713 794 H ILE 103 H ILE 103 5.186 8.335 4.588 795 HA ILE 103 HA ILE 103 7.434 6.386 4.919 796 HB ILE 103 HB ILE 103 5.019 6.128 3.097 797 HG12 ILE 103 2HG1 ILE 103 5.677 4.654 5.665 798 HG13 ILE 103 1HG1 ILE 103 4.471 5.934 5.523 799 HG21 ILE 103 1HG2 ILE 103 5.966 4.228 2.267 800 HG22 ILE 103 2HG2 ILE 103 6.687 3.792 3.815 801 HG23 ILE 103 3HG2 ILE 103 7.473 4.982 2.781 802 HD11 ILE 103 1HD1 ILE 103 3.114 4.087 5.208 803 HD12 ILE 103 2HD1 ILE 103 4.402 3.137 4.467 804 HD13 ILE 103 3HD1 ILE 103 3.589 4.396 3.538 805 H GLU 104 H GLU 104 8.987 6.399 3.280 806 HA GLU 104 HA GLU 104 8.670 8.571 1.240 807 HB2 GLU 104 2HB GLU 104 10.554 8.819 2.876 808 HB3 GLU 104 1HB GLU 104 11.230 7.310 2.264 809 HG2 GLU 104 2HG GLU 104 11.304 8.312 -0.021 810 HG3 GLU 104 1HG GLU 104 10.738 9.837 0.663 811 H VAL 105 H VAL 105 8.453 7.894 -0.832 812 HA VAL 105 HA VAL 105 9.628 5.267 -1.590 813 HB VAL 105 HB VAL 105 6.928 6.244 -2.537 814 HG11 VAL 105 1HG1 VAL 105 8.309 4.605 -3.924 815 HG12 VAL 105 2HG1 VAL 105 6.702 4.048 -3.458 816 HG13 VAL 105 3HG1 VAL 105 8.121 3.465 -2.593 817 HG21 VAL 105 1HG2 VAL 105 6.359 5.765 -0.356 818 HG22 VAL 105 2HG2 VAL 105 7.746 4.701 -0.119 819 HG23 VAL 105 3HG2 VAL 105 6.328 4.122 -0.995 820 H ASP 106 H ASP 106 10.606 5.261 -3.620 821 HA ASP 106 HA ASP 106 10.261 7.727 -5.281 822 HB2 ASP 106 2HB ASP 106 12.869 6.294 -4.706 823 HB3 ASP 106 1HB ASP 106 12.668 7.706 -5.746 824 H PHE 107 H PHE 107 10.217 7.342 -7.528 825 HA PHE 107 HA PHE 107 10.456 4.475 -8.336 826 HB2 PHE 107 2HB PHE 107 8.534 6.602 -9.314 827 HB3 PHE 107 1HB PHE 107 8.695 4.994 -10.012 828 HD1 PHE 107 1HD PHE 107 8.156 6.672 -6.709 829 HD2 PHE 107 2HD PHE 107 7.395 3.242 -9.177 830 HE1 PHE 107 1HE PHE 107 6.640 5.759 -4.973 831 HE2 PHE 107 2HE PHE 107 5.879 2.328 -7.441 832 HZ PHE 107 HZ PHE 107 5.501 3.586 -5.340 833 H VAL 108 H VAL 108 11.608 4.041 -10.189 834 HA VAL 108 HA VAL 108 12.708 6.367 -11.701 835 HB VAL 108 HB VAL 108 14.293 3.856 -11.284 836 HG11 VAL 108 1HG1 VAL 108 14.978 5.567 -12.967 837 HG12 VAL 108 2HG1 VAL 108 16.168 5.367 -11.679 838 HG13 VAL 108 3HG1 VAL 108 15.082 6.757 -11.669 839 HG21 VAL 108 1HG2 VAL 108 13.824 6.104 -9.346 840 HG22 VAL 108 2HG2 VAL 108 15.403 5.321 -9.403 841 HG23 VAL 108 3HG2 VAL 108 13.964 4.375 -9.028 842 HA PRO 109 HA PRO 109 10.849 3.756 -14.913 843 HB2 PRO 109 2HB PRO 109 11.238 5.429 -17.025 844 HB3 PRO 109 1HB PRO 109 9.962 5.689 -15.821 845 HG2 PRO 109 2HG PRO 109 12.599 7.017 -16.103 846 HG3 PRO 109 1HG PRO 109 11.039 7.693 -15.613 847 HD2 PRO 109 2HD PRO 109 13.056 7.030 -13.845 848 HD3 PRO 109 1HD PRO 109 11.334 7.112 -13.406 849 H ASN 110 H ASN 110 11.820 2.114 -15.969 850 HA ASN 110 HA ASN 110 14.525 2.562 -17.134 851 HB2 ASN 110 2HB ASN 110 14.339 0.979 -15.099 852 HB3 ASN 110 1HB ASN 110 13.519 -0.119 -16.208 853 HD21 ASN 110 1HD2 ASN 110 15.484 -1.555 -15.839 854 HD22 ASN 110 2HD2 ASN 110 16.880 -1.260 -16.758 855 H GLY 111 H GLY 111 14.634 2.175 -19.312 856 HA2 GLY 111 2HA GLY 111 12.361 1.792 -20.908 857 HA3 GLY 111 1HA GLY 111 13.998 1.424 -21.449 858 H SER 112 H SER 112 12.568 -0.294 -22.598 859 HA SER 112 HA SER 112 11.940 -2.542 -22.804 860 HB2 SER 112 2HB SER 112 14.096 -2.568 -20.728 861 HB3 SER 112 1HB SER 112 13.218 -4.054 -21.069 862 HG SER 112 HG SER 112 13.781 -3.762 -23.274 863 H GLY 113 H GLY 113 10.657 -0.667 -20.655 864 HA2 GLY 113 2HA GLY 113 8.793 -0.913 -19.239 865 HA3 GLY 113 1HA GLY 113 8.727 -2.609 -19.731 866 H GLY 114 H GLY 114 10.659 -0.412 -17.671 867 HA2 GLY 114 2HA GLY 114 10.639 -2.471 -15.571 868 HA3 GLY 114 1HA GLY 114 12.223 -1.995 -16.172 869 H THR 115 H THR 115 10.536 -1.565 -13.576 870 HA THR 115 HA THR 115 11.320 1.304 -13.314 871 HB THR 115 HB THR 115 8.691 0.027 -12.589 872 HG1 THR 115 1HG THR 115 8.451 2.499 -13.341 873 HG21 THR 115 1HG2 THR 115 10.100 2.321 -11.244 874 HG22 THR 115 2HG2 THR 115 9.222 0.979 -10.515 875 HG23 THR 115 3HG2 THR 115 8.338 2.271 -11.324 876 H ARG 116 H ARG 116 12.481 1.715 -11.488 877 HA ARG 116 HA ARG 116 12.800 -0.530 -9.550 878 HB2 ARG 116 2HB ARG 116 14.866 0.389 -10.624 879 HB3 ARG 116 1HB ARG 116 14.496 1.965 -9.918 880 HG2 ARG 116 2HG ARG 116 14.578 0.955 -7.656 881 HG3 ARG 116 1HG ARG 116 14.999 -0.599 -8.377 882 HD2 ARG 116 2HD ARG 116 17.015 0.462 -9.393 883 HD3 ARG 116 1HD ARG 116 16.615 1.960 -8.553 884 HE ARG 116 HE ARG 116 16.844 -0.374 -6.796 885 HH11 ARG 116 1HH1 ARG 116 18.540 -0.268 -5.303 886 HH12 ARG 116 2HH1 ARG 116 19.776 0.930 -5.500 887 HH21 ARG 116 1HH2 ARG 116 18.380 2.278 -8.375 888 HH22 ARG 116 2HH2 ARG 116 19.685 2.371 -7.240 889 H VAL 117 H VAL 117 11.846 -0.296 -7.561 890 HA VAL 117 HA VAL 117 11.085 2.480 -6.734 891 HB VAL 117 HB VAL 117 9.529 -0.042 -6.166 892 HG11 VAL 117 1HG1 VAL 117 9.330 1.864 -4.550 893 HG12 VAL 117 2HG1 VAL 117 7.816 1.478 -5.373 894 HG13 VAL 117 3HG1 VAL 117 8.765 2.873 -5.884 895 HG21 VAL 117 1HG2 VAL 117 9.456 1.895 -8.430 896 HG22 VAL 117 2HG2 VAL 117 7.911 1.331 -7.793 897 HG23 VAL 117 3HG2 VAL 117 9.085 0.170 -8.410 898 H GLU 118 H GLU 118 11.537 3.041 -4.668 899 HA GLU 118 HA GLU 118 12.651 0.922 -2.876 900 HB2 GLU 118 2HB GLU 118 13.371 3.876 -2.959 901 HB3 GLU 118 1HB GLU 118 14.075 2.672 -1.883 902 HG2 GLU 118 2HG GLU 118 14.941 1.438 -3.848 903 HG3 GLU 118 1HG GLU 118 14.271 2.677 -4.909 904 H LEU 119 H LEU 119 10.895 0.509 -1.549 905 HA LEU 119 HA LEU 119 9.407 2.867 -0.494 906 HB2 LEU 119 2HB LEU 119 8.123 1.093 -1.728 907 HB3 LEU 119 1HB LEU 119 8.570 -0.041 -0.466 908 HG LEU 119 HG LEU 119 7.372 2.519 0.452 909 HD11 LEU 119 1HD1 LEU 119 6.005 1.929 -1.547 910 HD12 LEU 119 2HD1 LEU 119 5.094 1.778 -0.045 911 HD13 LEU 119 3HD1 LEU 119 5.714 0.336 -0.847 912 HD21 LEU 119 1HD2 LEU 119 6.447 -0.215 1.240 913 HD22 LEU 119 2HD2 LEU 119 6.675 1.219 2.239 914 HD23 LEU 119 3HD2 LEU 119 8.068 0.270 1.728 915 H ALA 120 H ALA 120 9.696 3.402 1.600 916 HA ALA 120 HA ALA 120 10.691 1.298 3.481 917 HB1 ALA 120 1HB ALA 120 11.599 4.042 4.038 918 HB2 ALA 120 2HB ALA 120 12.252 3.366 2.545 919 HB3 ALA 120 3HB ALA 120 12.503 2.528 4.077 920 H HIS 121 H HIS 121 9.394 1.168 5.263 921 HA HIS 121 HA HIS 121 7.632 3.509 5.875 922 HB2 HIS 121 2HB HIS 121 5.982 2.033 6.663 923 HB3 HIS 121 1HB HIS 121 6.624 1.184 5.260 924 HD1 HIS 121 1HD HIS 121 6.861 1.202 9.049 925 HD2 HIS 121 2HD HIS 121 7.834 -1.271 5.834 926 HE1 HIS 121 1HE HIS 121 7.507 -1.043 10.040 927 HE2 HIS 121 2HE HIS 121 8.130 -2.544 8.092 928 H VAL 122 H VAL 122 7.916 4.480 7.852 929 HA VAL 122 HA VAL 122 9.621 3.032 9.834 930 HB VAL 122 HB VAL 122 10.768 5.163 10.305 931 HG11 VAL 122 1HG1 VAL 122 12.274 4.644 8.707 932 HG12 VAL 122 2HG1 VAL 122 11.173 5.142 7.422 933 HG13 VAL 122 3HG1 VAL 122 11.084 3.506 8.074 934 HG21 VAL 122 1HG2 VAL 122 10.061 6.630 7.958 935 HG22 VAL 122 2HG2 VAL 122 9.819 7.099 9.640 936 HG23 VAL 122 3HG2 VAL 122 8.564 6.202 8.786 937 H LYS 123 H LYS 123 9.382 3.655 11.997 938 HA LYS 123 HA LYS 123 8.194 4.222 13.914 939 HB2 LYS 123 2HB LYS 123 7.010 6.450 12.257 940 HB3 LYS 123 1HB LYS 123 7.302 6.427 13.997 941 HG2 LYS 123 2HG LYS 123 9.396 6.439 11.805 942 HG3 LYS 123 1HG LYS 123 9.060 7.734 12.956 943 HD2 LYS 123 2HD LYS 123 9.611 6.033 14.795 944 HD3 LYS 123 1HD LYS 123 10.267 5.018 13.509 945 HE2 LYS 123 2HE LYS 123 12.173 6.190 14.091 946 HE3 LYS 123 1HE LYS 123 11.527 7.262 12.849 947 HZ1 LYS 123 1HZ LYS 123 12.195 8.216 15.143 948 HZ2 LYS 123 2HZ LYS 123 10.692 7.605 15.648 949 HZ3 LYS 123 3HZ LYS 123 10.769 8.754 14.400 950 H LEU 124 H LEU 124 6.854 2.360 11.979 951 HA LEU 124 HA LEU 124 4.039 3.066 12.038 952 HB2 LEU 124 2HB LEU 124 5.522 0.480 11.525 953 HB3 LEU 124 1HB LEU 124 3.764 0.535 11.608 954 HG LEU 124 HG LEU 124 5.503 2.118 9.687 955 HD11 LEU 124 1HD1 LEU 124 3.431 0.079 8.929 956 HD12 LEU 124 2HD1 LEU 124 5.030 -0.466 9.428 957 HD13 LEU 124 3HD1 LEU 124 4.856 0.599 8.033 958 HD21 LEU 124 1HD2 LEU 124 2.991 2.324 8.717 959 HD22 LEU 124 2HD2 LEU 124 3.675 3.510 9.828 960 HD23 LEU 124 3HD2 LEU 124 2.622 2.238 10.440 961 H HIS 125 H HIS 125 6.232 1.172 14.055 962 HA HIS 125 HA HIS 125 4.526 -0.112 15.813 963 HB2 HIS 125 2HB HIS 125 6.987 -0.188 15.997 964 HB3 HIS 125 1HB HIS 125 6.982 1.471 16.586 965 HD1 HIS 125 1HD HIS 125 5.241 -1.802 17.527 966 HD2 HIS 125 2HD HIS 125 6.917 1.562 19.339 967 HE1 HIS 125 1HE HIS 125 5.047 -2.162 20.029 968 HE2 HIS 125 2HE HIS 125 6.065 -0.121 21.139 969 H ARG 126 H ARG 126 4.667 3.218 15.215 970 HA ARG 126 HA ARG 126 3.988 4.428 17.632 971 HB2 ARG 126 2HB ARG 126 4.231 5.587 15.419 972 HB3 ARG 126 1HB ARG 126 2.632 4.982 14.991 973 HG2 ARG 126 2HG ARG 126 1.673 6.131 16.960 974 HG3 ARG 126 1HG ARG 126 3.273 6.764 17.355 975 HD2 ARG 126 2HD ARG 126 1.780 7.283 14.767 976 HD3 ARG 126 1HD ARG 126 1.926 8.422 16.105 977 HE ARG 126 HE ARG 126 4.508 7.483 15.129 978 HH11 ARG 126 1HH1 ARG 126 5.781 9.043 14.103 979 HH12 ARG 126 2HH1 ARG 126 5.060 10.534 13.593 980 HH21 ARG 126 1HH2 ARG 126 1.896 9.702 14.745 981 HH22 ARG 126 2HH2 ARG 126 2.861 10.907 13.958 982 H HIS 127 H HIS 127 1.978 2.376 15.554 983 HA HIS 127 HA HIS 127 -0.442 2.871 17.100 984 HB2 HIS 127 2HB HIS 127 -1.087 0.588 15.898 985 HB3 HIS 127 1HB HIS 127 -1.062 2.103 15.010 986 HD1 HIS 127 1HD HIS 127 1.973 0.045 16.000 987 HD2 HIS 127 2HD HIS 127 -0.118 1.181 12.577 988 HE1 HIS 127 1HE HIS 127 3.326 -0.759 14.019 989 HE2 HIS 127 2HE HIS 127 2.065 -0.086 11.934 990 H GLY 128 H GLY 128 2.305 0.796 17.438 991 HA2 GLY 128 2HA GLY 128 2.811 -0.345 19.495 992 HA3 GLY 128 1HA GLY 128 1.096 -0.308 19.902 993 H ASP 129 H ASP 129 1.604 -2.651 20.394 994 HA ASP 129 HA ASP 129 2.144 -4.487 18.227 995 HB2 ASP 129 2HB ASP 129 2.594 -4.961 20.651 996 HB3 ASP 129 1HB ASP 129 0.852 -5.078 20.903 997 H GLY 130 H GLY 130 0.681 -5.862 17.142 998 HA2 GLY 130 2HA GLY 130 -1.544 -6.750 16.714 999 HA3 GLY 130 1HA GLY 130 -2.225 -5.352 17.553 1000 H ALA 131 H ALA 131 0.074 -3.923 15.865 1001 HA ALA 131 HA ALA 131 -1.663 -2.787 13.914 1002 HB1 ALA 131 1HB ALA 131 0.354 -1.741 13.029 1003 HB2 ALA 131 2HB ALA 131 1.363 -2.867 13.937 1004 HB3 ALA 131 3HB ALA 131 0.371 -1.688 14.790 1005 H TRP 132 H TRP 132 0.787 -5.384 13.693 1006 HA TRP 132 HA TRP 132 0.771 -5.681 10.894 1007 HB2 TRP 132 2HB TRP 132 2.262 -6.958 12.470 1008 HB3 TRP 132 1HB TRP 132 0.882 -7.991 12.856 1009 HD1 TRP 132 HD TRP 132 -0.089 -9.526 10.895 1010 HE1 TRP 132 1HE TRP 132 0.995 -10.426 8.737 1011 HE3 TRP 132 3HE TRP 132 4.009 -6.459 10.600 1012 HZ2 TRP 132 2HZ TRP 132 3.281 -9.919 7.107 1013 HZ3 TRP 132 3HZ TRP 132 5.612 -6.700 8.732 1014 HH2 TRP 132 HH TRP 132 5.257 -8.424 6.988 1015 H ASN 133 H ASN 133 -1.592 -6.671 13.303 1016 HA ASN 133 HA ASN 133 -3.171 -8.440 11.746 1017 HB2 ASN 133 2HB ASN 133 -3.504 -7.799 14.197 1018 HB3 ASN 133 1HB ASN 133 -4.272 -6.324 13.617 1019 HD21 ASN 133 1HD2 ASN 133 -4.520 -9.906 13.290 1020 HD22 ASN 133 2HD2 ASN 133 -6.198 -9.912 13.035 1021 H ILE 134 H ILE 134 -3.137 -4.909 11.959 1022 HA ILE 134 HA ILE 134 -5.264 -4.364 10.145 1023 HB ILE 134 HB ILE 134 -2.705 -2.810 10.588 1024 HG12 ILE 134 2HG1 ILE 134 -5.404 -2.521 11.943 1025 HG13 ILE 134 1HG1 ILE 134 -4.007 -3.315 12.675 1026 HG21 ILE 134 1HG2 ILE 134 -4.013 -0.898 9.815 1027 HG22 ILE 134 2HG2 ILE 134 -5.425 -1.934 9.603 1028 HG23 ILE 134 3HG2 ILE 134 -4.002 -2.162 8.586 1029 HD11 ILE 134 1HD1 ILE 134 -3.736 -1.169 13.510 1030 HD12 ILE 134 2HD1 ILE 134 -4.444 -0.412 12.083 1031 HD13 ILE 134 3HD1 ILE 134 -2.798 -1.042 12.022 1032 H HIS 135 H HIS 135 -1.783 -4.804 9.709 1033 HA HIS 135 HA HIS 135 -1.701 -4.506 6.868 1034 HB2 HIS 135 2HB HIS 135 0.346 -4.395 8.167 1035 HB3 HIS 135 1HB HIS 135 0.086 -6.026 8.784 1036 HD1 HIS 135 1HD HIS 135 -0.889 -5.914 5.327 1037 HD2 HIS 135 2HD HIS 135 2.714 -6.394 7.362 1038 HE1 HIS 135 1HE HIS 135 0.732 -6.889 3.653 1039 HE2 HIS 135 2HE HIS 135 2.947 -7.178 4.876 1040 H LYS 136 H LYS 136 -2.400 -7.247 8.980 1041 HA LYS 136 HA LYS 136 -2.177 -9.357 7.128 1042 HB2 LYS 136 2HB LYS 136 -2.743 -9.606 9.567 1043 HB3 LYS 136 1HB LYS 136 -4.371 -9.066 9.187 1044 HG2 LYS 136 2HG LYS 136 -4.616 -10.932 7.604 1045 HG3 LYS 136 1HG LYS 136 -3.001 -11.489 8.024 1046 HD2 LYS 136 2HD LYS 136 -3.753 -11.677 10.412 1047 HD3 LYS 136 1HD LYS 136 -5.390 -11.292 9.876 1048 HE2 LYS 136 2HE LYS 136 -5.729 -13.425 9.252 1049 HE3 LYS 136 1HE LYS 136 -4.310 -13.372 8.205 1050 HZ1 LYS 136 1HZ LYS 136 -2.963 -14.216 9.824 1051 HZ2 LYS 136 2HZ LYS 136 -4.417 -14.999 10.223 1052 HZ3 LYS 136 3HZ LYS 136 -3.917 -13.632 11.099 1053 H ALA 137 H ALA 137 -4.768 -6.974 7.560 1054 HA ALA 137 HA ALA 137 -6.577 -8.184 5.665 1055 HB1 ALA 137 1HB ALA 137 -7.325 -5.689 5.399 1056 HB2 ALA 137 2HB ALA 137 -6.208 -5.399 6.730 1057 HB3 ALA 137 3HB ALA 137 -7.577 -6.489 6.950 1058 H LEU 138 H LEU 138 -3.975 -5.780 5.393 1059 HA LEU 138 HA LEU 138 -4.268 -5.429 2.541 1060 HB2 LEU 138 2HB LEU 138 -1.847 -4.984 4.317 1061 HB3 LEU 138 1HB LEU 138 -2.028 -4.394 2.669 1062 HG LEU 138 HG LEU 138 -3.809 -3.663 5.011 1063 HD11 LEU 138 1HD1 LEU 138 -2.134 -2.197 5.433 1064 HD12 LEU 138 2HD1 LEU 138 -2.664 -1.364 3.971 1065 HD13 LEU 138 3HD1 LEU 138 -1.345 -2.532 3.891 1066 HD21 LEU 138 1HD2 LEU 138 -3.950 -3.213 2.061 1067 HD22 LEU 138 2HD2 LEU 138 -4.406 -1.868 3.105 1068 HD23 LEU 138 3HD2 LEU 138 -5.256 -3.408 3.230 1069 H ASP 139 H ASP 139 -3.110 -7.940 4.502 1070 HA ASP 139 HA ASP 139 -2.378 -10.083 3.856 1071 HB2 ASP 139 2HB ASP 139 -3.365 -9.103 1.498 1072 HB3 ASP 139 1HB ASP 139 -1.680 -9.410 1.091 1073 H GLY 140 H GLY 140 -0.454 -10.190 4.940 1074 HA2 GLY 140 2HA GLY 140 1.954 -9.143 3.510 1075 HA3 GLY 140 1HA GLY 140 1.821 -9.131 5.269 1076 HA PRO 141 HA PRO 141 1.869 -13.875 4.230 1077 HB2 PRO 141 2HB PRO 141 2.315 -14.420 1.535 1078 HB3 PRO 141 1HB PRO 141 0.734 -14.458 2.336 1079 HG2 PRO 141 2HG PRO 141 1.961 -12.334 0.667 1080 HG3 PRO 141 1HG PRO 141 0.273 -12.863 0.762 1081 HD2 PRO 141 2HD PRO 141 1.120 -10.584 1.945 1082 HD3 PRO 141 1HD PRO 141 -0.155 -11.596 2.665 1083 H SER 142 H SER 142 3.779 -15.083 4.377 1084 HA SER 142 HA SER 142 6.273 -13.671 4.185 1085 HB2 SER 142 2HB SER 142 5.352 -16.177 5.220 1086 HB3 SER 142 1HB SER 142 6.760 -16.478 4.206 1087 HG SER 142 HG SER 142 6.790 -14.315 5.989 1088 HA PRO 143 HA PRO 143 7.081 -16.245 0.259 1089 HB2 PRO 143 2HB PRO 143 5.152 -17.851 -0.757 1090 HB3 PRO 143 1HB PRO 143 6.226 -18.367 0.559 1091 HG2 PRO 143 2HG PRO 143 3.392 -17.515 0.654 1092 HG3 PRO 143 1HG PRO 143 4.254 -18.697 1.650 1093 HD2 PRO 143 2HD PRO 143 3.640 -16.058 2.397 1094 HD3 PRO 143 1HD PRO 143 4.804 -17.124 3.211 1095 H GLY 144 H GLY 144 3.540 -15.950 -0.230 1096 HA2 GLY 144 2HA GLY 144 3.879 -14.632 -2.783 1097 HA3 GLY 144 1HA GLY 144 2.354 -14.797 -1.906 1098 H GLU 145 H GLU 145 5.343 -13.270 -0.788 1099 HA GLU 145 HA GLU 145 4.256 -11.097 0.517 1100 HB2 GLU 145 2HB GLU 145 6.735 -10.895 -1.192 1101 HB3 GLU 145 1HB GLU 145 6.360 -9.977 0.262 1102 HG2 GLU 145 2HG GLU 145 6.340 -12.119 1.551 1103 HG3 GLU 145 1HG GLU 145 6.877 -12.952 0.092 1104 H THR 146 H THR 146 4.513 -8.702 -0.277 1105 HA THR 146 HA THR 146 2.559 -8.174 -2.251 1106 HB THR 146 HB THR 146 4.805 -6.249 -1.750 1107 HG1 THR 146 1HG THR 146 4.372 -6.163 0.285 1108 HG21 THR 146 1HG2 THR 146 1.833 -5.763 -1.723 1109 HG22 THR 146 2HG2 THR 146 2.743 -5.831 -3.233 1110 HG23 THR 146 3HG2 THR 146 3.132 -4.608 -2.023 1111 H LEU 147 H LEU 147 6.102 -8.164 -2.505 1112 HA LEU 147 HA LEU 147 6.347 -7.331 -5.177 1113 HB2 LEU 147 2HB LEU 147 8.021 -9.283 -3.580 1114 HB3 LEU 147 1HB LEU 147 8.507 -8.597 -5.129 1115 HG LEU 147 HG LEU 147 7.589 -6.602 -3.157 1116 HD11 LEU 147 1HD1 LEU 147 10.264 -7.964 -2.754 1117 HD12 LEU 147 2HD1 LEU 147 8.857 -8.276 -1.741 1118 HD13 LEU 147 3HD1 LEU 147 9.569 -6.665 -1.785 1119 HD21 LEU 147 1HD2 LEU 147 10.082 -6.881 -4.852 1120 HD22 LEU 147 2HD2 LEU 147 9.556 -5.409 -4.028 1121 HD23 LEU 147 3HD2 LEU 147 8.605 -6.069 -5.364 1122 H ALA 148 H ALA 148 5.529 -10.511 -3.877 1123 HA ALA 148 HA ALA 148 5.836 -11.875 -6.415 1124 HB1 ALA 148 1HB ALA 148 5.297 -12.601 -3.723 1125 HB2 ALA 148 2HB ALA 148 5.658 -13.666 -5.082 1126 HB3 ALA 148 3HB ALA 148 3.985 -13.239 -4.716 1127 H ARG 149 H ARG 149 2.937 -10.847 -4.584 1128 HA ARG 149 HA ARG 149 1.158 -11.686 -6.685 1129 HB2 ARG 149 2HB ARG 149 -0.571 -10.497 -5.355 1130 HB3 ARG 149 1HB ARG 149 0.390 -11.610 -4.391 1131 HG2 ARG 149 2HG ARG 149 0.677 -9.840 -3.000 1132 HG3 ARG 149 1HG ARG 149 1.861 -9.308 -4.188 1133 HD2 ARG 149 2HD ARG 149 0.532 -7.409 -4.050 1134 HD3 ARG 149 1HD ARG 149 -0.275 -8.254 -5.366 1135 HE ARG 149 HE ARG 149 -1.259 -8.069 -2.565 1136 HH11 ARG 149 1HH1 ARG 149 -3.460 -8.474 -2.354 1137 HH12 ARG 149 2HH1 ARG 149 -4.359 -9.064 -3.712 1138 HH21 ARG 149 1HH2 ARG 149 -1.636 -9.117 -5.847 1139 HH22 ARG 149 2HH2 ARG 149 -3.330 -9.423 -5.679 1140 H PHE 150 H PHE 150 2.162 -8.392 -5.641 1141 HA PHE 150 HA PHE 150 0.636 -7.156 -7.773 1142 HB2 PHE 150 2HB PHE 150 0.955 -5.330 -6.524 1143 HB3 PHE 150 1HB PHE 150 1.960 -6.292 -5.435 1144 HD1 PHE 150 1HD PHE 150 4.404 -6.642 -6.082 1145 HD2 PHE 150 2HD PHE 150 1.925 -3.631 -7.843 1146 HE1 PHE 150 1HE PHE 150 6.422 -5.445 -6.815 1147 HE2 PHE 150 2HE PHE 150 3.947 -2.404 -8.591 1148 HZ PHE 150 HZ PHE 150 6.196 -3.305 -8.084 1149 H ALA 151 H ALA 151 4.100 -7.987 -7.436 1150 HA ALA 151 HA ALA 151 4.857 -6.533 -9.812 1151 HB1 ALA 151 1HB ALA 151 6.400 -8.925 -8.874 1152 HB2 ALA 151 2HB ALA 151 6.347 -7.476 -7.867 1153 HB3 ALA 151 3HB ALA 151 6.995 -7.389 -9.503 1154 H ASN 152 H ASN 152 4.014 -9.937 -9.238 1155 HA ASN 152 HA ASN 152 4.608 -10.836 -11.885 1156 HB2 ASN 152 2HB ASN 152 3.669 -12.851 -11.261 1157 HB3 ASN 152 1HB ASN 152 3.993 -12.155 -9.673 1158 HD21 ASN 152 1HD2 ASN 152 2.157 -11.219 -8.487 1159 HD22 ASN 152 2HD2 ASN 152 0.558 -11.628 -8.905 1160 H VAL 153 H VAL 153 1.606 -9.547 -10.480 1161 HA VAL 153 HA VAL 153 0.011 -10.009 -12.827 1162 HB VAL 153 HB VAL 153 -1.508 -8.302 -11.803 1163 HG11 VAL 153 1HG1 VAL 153 -1.101 -9.799 -9.416 1164 HG12 VAL 153 2HG1 VAL 153 -0.684 -10.848 -10.770 1165 HG13 VAL 153 3HG1 VAL 153 -2.281 -10.104 -10.691 1166 HG21 VAL 153 1HG2 VAL 153 0.165 -6.847 -10.810 1167 HG22 VAL 153 2HG2 VAL 153 0.744 -8.169 -9.805 1168 HG23 VAL 153 3HG2 VAL 153 -0.852 -7.495 -9.526 1169 H ILE 154 H ILE 154 1.953 -7.225 -11.751 1170 HA ILE 154 HA ILE 154 1.065 -5.466 -13.803 1171 HB ILE 154 HB ILE 154 3.546 -5.562 -12.119 1172 HG12 ILE 154 2HG1 ILE 154 1.321 -3.525 -12.346 1173 HG13 ILE 154 1HG1 ILE 154 1.336 -4.832 -11.168 1174 HG21 ILE 154 1HG2 ILE 154 2.924 -3.849 -14.494 1175 HG22 ILE 154 2HG2 ILE 154 4.455 -4.582 -14.022 1176 HG23 ILE 154 3HG2 ILE 154 3.847 -3.176 -13.152 1177 HD11 ILE 154 1HD1 ILE 154 3.251 -2.512 -11.399 1178 HD12 ILE 154 2HD1 ILE 154 3.640 -3.958 -10.467 1179 HD13 ILE 154 3HD1 ILE 154 2.251 -2.967 -10.018 1180 HBC 969 201 HBC PDM 155 4.753 -9.475 2.822 1181 HBD 969 201 HBD PDM 155 5.894 -8.478 3.756 1182 HBE 969 201 HBE PDM 155 6.466 -9.400 2.347 1183 HBA 969 201 HBA PDM 155 4.670 -7.956 1.047 1184 HBB 969 201 HBB PDM 155 4.836 -6.858 2.436 1185 HA0 969 201 0HA PDM 155 5.726 -7.694 -0.587 1186 HAY 969 201 HAY PDM 155 7.376 -8.319 -0.339 1187 HAZ 969 201 HAZ PDM 155 7.125 -6.611 -0.771 1188 HBF 969 201 HBF PDM 155 7.994 -8.539 1.530 1189 HAQ 969 201 HAQ PDM 155 5.609 -4.380 -4.302 1190 HAL 969 201 HAL PDM 155 7.583 -3.876 -6.682 1191 HAM 969 201 HAM PDM 155 9.348 -2.138 -6.718 1192 HAN 969 201 HAN PDM 155 10.292 -1.287 -4.597 1193 HAE 969 201 HAE PDM 155 10.478 -1.359 0.210 1194 HAS 969 201 HAS PDM 155 10.927 -1.855 2.361 1195 HAT 969 201 HAT PDM 155 10.114 -3.175 3.237 1196 HAU 969 201 HAU PDM 155 9.365 -1.562 3.166 1197 HAV 969 201 HAV PDM 155 6.457 -5.547 3.561
Contact the webmaster for help, if required. Wednesday, May 1, 2024 6:27:46 PM GMT (wattos1)