NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
549417 | 2lyx | 18732 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HN GLY 1 -13.712 -16.173 3.142 2 HA2 GLY 1 HA1 GLY 1 -15.405 -14.384 3.108 3 HA3 GLY 1 HA2 GLY 1 -14.325 -13.464 4.175 4 H GLU 2 HN GLU 2 -15.243 -12.622 1.514 5 HA GLU 2 HA GLU 2 -12.858 -12.844 -0.218 6 HB2 GLU 2 HB2 GLU 2 -15.421 -11.225 -0.462 7 HB3 GLU 2 HB3 GLU 2 -14.080 -11.236 -1.620 8 HG2 GLU 2 HG2 GLU 2 -14.406 -13.766 -1.814 9 HG3 GLU 2 HG3 GLU 2 -15.936 -13.534 -0.932 10 H GLU 3 HN GLU 3 -11.525 -12.137 1.598 11 HA GLU 3 HA GLU 3 -11.710 -9.272 2.337 12 HB2 GLU 3 HB2 GLU 3 -9.867 -11.529 3.233 13 HB3 GLU 3 HB3 GLU 3 -9.848 -9.877 3.867 14 HG2 GLU 3 HG2 GLU 3 -12.358 -10.209 4.425 15 HG3 GLU 3 HG3 GLU 3 -12.113 -11.920 4.053 16 H THR 4 HN THR 4 -9.772 -11.448 0.316 17 HA THR 4 HA THR 4 -9.066 -9.254 -1.310 18 HB THR 4 HB THR 4 -6.531 -10.365 -1.225 19 HG1 THR 4 HG1 THR 4 -5.856 -10.280 0.926 20 HG21 THR 4 HG21 THR 4 -7.351 -7.932 0.393 21 HG22 THR 4 HG22 THR 4 -7.180 -7.958 -1.380 22 HG23 THR 4 HG23 THR 4 -5.783 -8.286 -0.343 23 HA PRO 5 HA PRO 5 -9.463 -12.654 -4.116 24 HB2 PRO 5 HB2 PRO 5 -8.014 -12.014 -6.305 25 HB3 PRO 5 HB3 PRO 5 -9.393 -11.005 -5.775 26 HG2 PRO 5 HG2 PRO 5 -6.451 -10.584 -5.116 27 HG3 PRO 5 HG3 PRO 5 -7.581 -9.395 -5.848 28 HD2 PRO 5 HD2 PRO 5 -7.083 -9.453 -3.190 29 HD3 PRO 5 HD3 PRO 5 -8.741 -9.142 -3.784 30 H LEU 6 HN LEU 6 -8.347 -14.075 -2.462 31 HA LEU 6 HA LEU 6 -6.051 -15.430 -3.679 32 HB2 LEU 6 HB2 LEU 6 -4.996 -15.386 -1.298 33 HB3 LEU 6 HB3 LEU 6 -4.723 -14.145 -2.469 34 HG LEU 6 HG LEU 6 -6.392 -12.682 -1.298 35 HD11 LEU 6 HD11 LEU 6 -7.876 -14.318 -0.253 36 HD12 LEU 6 HD12 LEU 6 -7.161 -13.293 0.983 37 HD13 LEU 6 HD13 LEU 6 -6.555 -14.950 0.731 38 HD21 LEU 6 HD21 LEU 6 -4.961 -12.362 0.745 39 HD22 LEU 6 HD22 LEU 6 -4.137 -12.370 -0.825 40 HD23 LEU 6 HD23 LEU 6 -4.041 -13.793 0.241 41 H VAL 7 HN VAL 7 -8.399 -16.451 -3.830 42 HA VAL 7 HA VAL 7 -9.501 -17.937 -1.808 43 HB VAL 7 HB VAL 7 -10.231 -17.431 -4.197 44 HG11 VAL 7 HG11 VAL 7 -9.728 -19.076 -5.929 45 HG12 VAL 7 HG12 VAL 7 -8.230 -18.346 -5.353 46 HG13 VAL 7 HG13 VAL 7 -8.697 -19.987 -4.845 47 HG21 VAL 7 HG21 VAL 7 -11.461 -18.946 -2.574 48 HG22 VAL 7 HG22 VAL 7 -11.805 -19.166 -4.287 49 HG23 VAL 7 HG23 VAL 7 -10.734 -20.311 -3.448 50 H THR 8 HN THR 8 -6.351 -18.465 -3.042 51 HA THR 8 HA THR 8 -5.968 -20.814 -1.421 52 HB THR 8 HB THR 8 -7.065 -21.833 -3.392 53 HG1 THR 8 HG1 THR 8 -4.385 -22.394 -2.882 54 HG21 THR 8 HG21 THR 8 -6.008 -21.968 -5.567 55 HG22 THR 8 HG22 THR 8 -4.692 -20.899 -5.053 56 HG23 THR 8 HG23 THR 8 -6.344 -20.276 -5.186 57 H ALA 9 HN ALA 9 -4.884 -17.976 -1.912 58 HA ALA 9 HA ALA 9 -2.171 -18.579 -3.008 59 HB1 ALA 9 HB1 ALA 9 -4.062 -16.425 -4.025 60 HB2 ALA 9 HB2 ALA 9 -2.451 -16.818 -4.648 61 HB3 ALA 9 HB3 ALA 9 -3.759 -17.991 -4.820 62 H ARG 10 HN ARG 10 -2.990 -17.815 -0.208 63 HA ARG 10 HA ARG 10 -2.165 -15.251 0.516 64 HB2 ARG 10 HB2 ARG 10 -1.250 -16.387 2.565 65 HB3 ARG 10 HB3 ARG 10 -2.946 -16.650 2.251 66 HG2 ARG 10 HG2 ARG 10 -2.736 -18.891 1.970 67 HG3 ARG 10 HG3 ARG 10 -1.216 -18.762 1.095 68 HD2 ARG 10 HD2 ARG 10 -0.092 -18.188 3.300 69 HD3 ARG 10 HD3 ARG 10 -1.607 -18.645 4.104 70 HE ARG 10 HE ARG 10 0.023 -20.373 2.285 71 HH11 ARG 10 HH11 ARG 10 -1.754 -20.094 5.377 72 HH12 ARG 10 HH12 ARG 10 -1.852 -21.805 5.610 73 HH21 ARG 10 HH21 ARG 10 -0.039 -22.605 2.653 74 HH22 ARG 10 HH22 ARG 10 -0.688 -23.269 4.130 75 H HIS 11 HN HIS 11 -0.462 -14.171 -0.270 76 HA HIS 11 HA HIS 11 2.206 -15.068 0.316 77 HB2 HIS 11 HB2 HIS 11 2.061 -16.244 -1.783 78 HB3 HIS 11 HB3 HIS 11 1.249 -14.885 -2.565 79 HD1 HIS 11 HD1 HIS 11 2.845 -13.555 -4.054 80 HD2 HIS 11 HD2 HIS 11 4.657 -15.188 -0.625 81 HE1 HIS 11 HE1 HIS 11 5.312 -12.861 -4.134 82 H MET 12 HN MET 12 1.919 -13.198 1.659 83 HA MET 12 HA MET 12 1.224 -10.611 0.496 84 HB2 MET 12 HB2 MET 12 0.491 -11.723 2.745 85 HB3 MET 12 HB3 MET 12 2.123 -11.328 3.309 86 HG2 MET 12 HG2 MET 12 1.678 -8.948 2.954 87 HG3 MET 12 HG3 MET 12 0.109 -9.345 2.213 88 HE1 MET 12 HE1 MET 12 -1.448 -8.155 3.513 89 HE2 MET 12 HE2 MET 12 -1.456 -7.913 5.282 90 HE3 MET 12 HE3 MET 12 -0.119 -7.271 4.287 91 H SER 13 HN SER 13 2.702 -8.788 0.762 92 HA SER 13 HA SER 13 5.552 -9.480 0.553 93 HB2 SER 13 HB2 SER 13 4.103 -8.021 -1.089 94 HB3 SER 13 HB3 SER 13 4.420 -6.728 0.091 95 HG SER 13 HG SER 13 6.071 -8.187 -1.606 96 H LYS 14 HN LYS 14 7.005 -7.709 1.399 97 HA LYS 14 HA LYS 14 7.061 -7.666 4.245 98 HB2 LYS 14 HB2 LYS 14 9.082 -7.348 2.887 99 HB3 LYS 14 HB3 LYS 14 8.438 -5.864 2.212 100 HG2 LYS 14 HG2 LYS 14 10.006 -5.152 3.740 101 HG3 LYS 14 HG3 LYS 14 8.502 -4.885 4.593 102 HD2 LYS 14 HD2 LYS 14 8.928 -7.085 5.818 103 HD3 LYS 14 HD3 LYS 14 10.509 -7.143 4.999 104 HE2 LYS 14 HE2 LYS 14 10.760 -4.680 5.970 105 HE3 LYS 14 HE3 LYS 14 9.484 -5.181 7.074 106 HZ1 LYS 14 HZ1 LYS 14 12.129 -6.514 6.803 107 HZ2 LYS 14 HZ2 LYS 14 10.920 -7.006 7.793 108 HZ3 LYS 14 HZ3 LYS 14 11.693 -5.565 8.026 109 H TRP 15 HN TRP 15 6.085 -5.065 1.975 110 HA TRP 15 HA TRP 15 5.235 -3.422 4.304 111 HB2 TRP 15 HB2 TRP 15 5.788 -2.516 1.482 112 HB3 TRP 15 HB3 TRP 15 5.565 -1.531 2.903 113 HD1 TRP 15 HD1 TRP 15 8.154 -3.375 0.895 114 HE1 TRP 15 HE1 TRP 15 10.511 -2.922 1.845 115 HE3 TRP 15 HE3 TRP 15 6.829 -0.900 5.181 116 HZ2 TRP 15 HZ2 TRP 15 11.611 -1.796 4.265 117 HZ3 TRP 15 HZ3 TRP 15 8.514 -0.256 6.811 118 HH2 TRP 15 HH2 TRP 15 10.931 -0.706 6.351 119 H GLU 16 HN GLU 16 3.784 -5.616 2.411 120 HA GLU 16 HA GLU 16 1.526 -4.306 1.259 121 HB2 GLU 16 HB2 GLU 16 2.531 -7.035 1.634 122 HB3 GLU 16 HB3 GLU 16 0.820 -6.986 1.951 123 HG2 GLU 16 HG2 GLU 16 0.560 -5.767 -0.302 124 HG3 GLU 16 HG3 GLU 16 2.260 -6.228 -0.564 125 H GLU 17 HN GLU 17 2.270 -4.676 4.498 126 HA GLU 17 HA GLU 17 -0.465 -4.602 5.455 127 HB2 GLU 17 HB2 GLU 17 0.681 -5.143 7.633 128 HB3 GLU 17 HB3 GLU 17 0.406 -6.376 6.383 129 HG2 GLU 17 HG2 GLU 17 2.458 -6.479 5.724 130 HG3 GLU 17 HG3 GLU 17 2.931 -4.867 6.291 131 H ILE 18 HN ILE 18 2.759 -3.049 6.022 132 HA ILE 18 HA ILE 18 1.955 -0.856 7.667 133 HB ILE 18 HB ILE 18 4.124 -1.153 5.557 134 HG12 ILE 18 HG12 ILE 18 5.266 -1.074 8.147 135 HG13 ILE 18 HG13 ILE 18 3.845 -2.079 8.358 136 HG21 ILE 18 HG21 ILE 18 3.841 0.978 7.702 137 HG22 ILE 18 HG22 ILE 18 5.264 0.730 6.671 138 HG23 ILE 18 HG23 ILE 18 3.728 1.232 5.949 139 HD11 ILE 18 HD11 ILE 18 4.690 -3.547 6.494 140 HD12 ILE 18 HD12 ILE 18 6.149 -2.538 6.416 141 HD13 ILE 18 HD13 ILE 18 5.793 -3.449 7.872 142 H ALA 19 HN ALA 19 1.873 -1.263 4.096 143 HA ALA 19 HA ALA 19 0.834 1.274 3.543 144 HB1 ALA 19 HB1 ALA 19 0.389 -1.383 2.126 145 HB2 ALA 19 HB2 ALA 19 0.039 0.217 1.427 146 HB3 ALA 19 HB3 ALA 19 1.712 -0.228 1.860 147 H VAL 20 HN VAL 20 -0.860 -1.713 4.477 148 HA VAL 20 HA VAL 20 -3.500 -0.777 3.935 149 HB VAL 20 HB VAL 20 -2.663 -2.868 6.008 150 HG11 VAL 20 HG11 VAL 20 -4.896 -3.842 5.521 151 HG12 VAL 20 HG12 VAL 20 -5.008 -2.211 6.182 152 HG13 VAL 20 HG13 VAL 20 -5.245 -2.488 4.438 153 HG21 VAL 20 HG21 VAL 20 -1.634 -3.354 3.851 154 HG22 VAL 20 HG22 VAL 20 -2.752 -4.575 4.385 155 HG23 VAL 20 HG23 VAL 20 -3.243 -3.425 3.095 156 H LYS 21 HN LYS 21 -1.443 -0.924 6.897 157 HA LYS 21 HA LYS 21 -3.416 -0.123 8.688 158 HB2 LYS 21 HB2 LYS 21 -0.372 0.128 8.720 159 HB3 LYS 21 HB3 LYS 21 -1.357 0.588 10.115 160 HG2 LYS 21 HG2 LYS 21 -2.235 -1.615 10.383 161 HG3 LYS 21 HG3 LYS 21 -1.639 -2.145 8.816 162 HD2 LYS 21 HD2 LYS 21 0.580 -1.239 10.474 163 HD3 LYS 21 HD3 LYS 21 -0.401 -2.449 11.328 164 HE2 LYS 21 HE2 LYS 21 -0.230 -3.623 8.863 165 HE3 LYS 21 HE3 LYS 21 1.284 -2.714 8.859 166 HZ1 LYS 21 HZ1 LYS 21 1.743 -3.875 11.031 167 HZ2 LYS 21 HZ2 LYS 21 1.714 -4.859 9.733 168 HZ3 LYS 21 HZ3 LYS 21 0.422 -4.812 10.751 169 H GLU 22 HN GLU 22 -1.033 1.902 6.911 170 HA GLU 22 HA GLU 22 -2.067 4.411 7.826 171 HB2 GLU 22 HB2 GLU 22 -0.493 3.563 5.370 172 HB3 GLU 22 HB3 GLU 22 -0.939 5.246 5.728 173 HG2 GLU 22 HG2 GLU 22 0.514 3.581 7.794 174 HG3 GLU 22 HG3 GLU 22 1.408 4.333 6.518 175 H ALA 23 HN ALA 23 -2.807 2.404 4.897 176 HA ALA 23 HA ALA 23 -4.605 4.250 3.774 177 HB1 ALA 23 HB1 ALA 23 -3.545 2.460 2.492 178 HB2 ALA 23 HB2 ALA 23 -4.490 1.236 3.382 179 HB3 ALA 23 HB3 ALA 23 -5.305 2.405 2.322 180 H LYS 24 HN LYS 24 -5.284 1.997 6.459 181 HA LYS 24 HA LYS 24 -8.169 2.724 6.154 182 HB2 LYS 24 HB2 LYS 24 -8.779 1.460 7.938 183 HB3 LYS 24 HB3 LYS 24 -7.684 0.458 7.004 184 HG2 LYS 24 HG2 LYS 24 -6.042 0.446 8.655 185 HG3 LYS 24 HG3 LYS 24 -6.565 1.993 9.308 186 HD2 LYS 24 HD2 LYS 24 -7.120 0.429 10.943 187 HD3 LYS 24 HD3 LYS 24 -8.644 0.940 10.209 188 HE2 LYS 24 HE2 LYS 24 -8.797 -1.150 8.940 189 HE3 LYS 24 HE3 LYS 24 -7.145 -1.589 9.407 190 HZ1 LYS 24 HZ1 LYS 24 -9.543 -1.587 11.093 191 HZ2 LYS 24 HZ2 LYS 24 -8.035 -1.496 11.780 192 HZ3 LYS 24 HZ3 LYS 24 -8.456 -2.783 10.874 193 H LYS 25 HN LYS 25 -5.294 3.768 7.966 194 HA LYS 25 HA LYS 25 -6.992 4.900 10.018 195 HB2 LYS 25 HB2 LYS 25 -5.098 5.328 11.201 196 HB3 LYS 25 HB3 LYS 25 -4.684 3.912 10.293 197 HG2 LYS 25 HG2 LYS 25 -2.750 5.073 10.092 198 HG3 LYS 25 HG3 LYS 25 -3.544 5.658 8.641 199 HD2 LYS 25 HD2 LYS 25 -3.892 7.782 9.489 200 HD3 LYS 25 HD3 LYS 25 -3.932 7.222 11.178 201 HE2 LYS 25 HE2 LYS 25 -1.475 6.681 10.978 202 HE3 LYS 25 HE3 LYS 25 -1.472 7.462 9.396 203 HZ1 LYS 25 HZ1 LYS 25 -2.175 8.724 11.984 204 HZ2 LYS 25 HZ2 LYS 25 -2.236 9.493 10.510 205 HZ3 LYS 25 HZ3 LYS 25 -0.800 8.950 11.135 206 H ARG 26 HN ARG 26 -5.274 6.183 7.260 207 HA ARG 26 HA ARG 26 -5.875 8.978 7.843 208 HB2 ARG 26 HB2 ARG 26 -3.872 8.135 6.660 209 HB3 ARG 26 HB3 ARG 26 -4.871 7.610 5.305 210 HG2 ARG 26 HG2 ARG 26 -5.115 9.728 4.480 211 HG3 ARG 26 HG3 ARG 26 -5.224 10.470 6.087 212 HD2 ARG 26 HD2 ARG 26 -2.823 10.264 6.424 213 HD3 ARG 26 HD3 ARG 26 -2.663 9.445 4.856 214 HE ARG 26 HE ARG 26 -3.966 11.872 4.377 215 HH11 ARG 26 HH11 ARG 26 -0.759 10.714 5.462 216 HH12 ARG 26 HH12 ARG 26 0.096 11.877 4.491 217 HH21 ARG 26 HH21 ARG 26 -2.797 13.569 3.374 218 HH22 ARG 26 HH22 ARG 26 -1.095 13.753 3.623 219 H TYR 27 HN TYR 27 -8.157 6.753 7.242 220 HA TYR 27 HA TYR 27 -9.711 8.406 5.332 221 HB2 TYR 27 HB2 TYR 27 -9.027 5.450 5.104 222 HB3 TYR 27 HB3 TYR 27 -10.318 6.258 4.207 223 HD1 TYR 27 HD2 TYR 27 -9.895 8.041 2.601 224 HD2 TYR 27 HD1 TYR 27 -6.689 5.825 4.420 225 HE1 TYR 27 HE2 TYR 27 -8.313 9.041 0.999 226 HE2 TYR 27 HE1 TYR 27 -5.110 6.710 2.752 227 HH TYR 27 HH TYR 27 -6.008 9.486 0.750 228 HA PRO 28 HA PRO 28 -11.528 7.064 9.304 229 HB2 PRO 28 HB2 PRO 28 -12.438 9.460 10.235 230 HB3 PRO 28 HB3 PRO 28 -10.714 8.982 10.288 231 HG2 PRO 28 HG2 PRO 28 -12.074 10.751 8.228 232 HG3 PRO 28 HG3 PRO 28 -10.507 11.007 9.079 233 HD2 PRO 28 HD2 PRO 28 -10.713 9.971 6.568 234 HD3 PRO 28 HD3 PRO 28 -9.412 9.552 7.713 235 H LEU 29 HN LEU 29 -13.036 8.634 6.517 236 HA LEU 29 HA LEU 29 -15.744 8.112 7.598 237 HB2 LEU 29 HB2 LEU 29 -14.800 9.428 5.047 238 HB3 LEU 29 HB3 LEU 29 -16.438 8.835 5.242 239 HG LEU 29 HG LEU 29 -16.700 10.210 7.314 240 HD11 LEU 29 HD11 LEU 29 -13.925 11.109 6.491 241 HD12 LEU 29 HD12 LEU 29 -14.539 10.601 8.081 242 HD13 LEU 29 HD13 LEU 29 -15.005 12.173 7.415 243 HD21 LEU 29 HD21 LEU 29 -17.092 12.294 6.153 244 HD22 LEU 29 HD22 LEU 29 -17.537 10.951 5.094 245 HD23 LEU 29 HD23 LEU 29 -16.016 11.823 4.830 246 H ALA 30 HN ALA 30 -13.222 6.307 6.153 247 HA ALA 30 HA ALA 30 -15.062 4.664 4.526 248 HB1 ALA 30 HB1 ALA 30 -13.557 6.308 3.330 249 HB2 ALA 30 HB2 ALA 30 -12.184 5.447 4.023 250 HB3 ALA 30 HB3 ALA 30 -13.228 4.624 2.874 251 H GLN 31 HN GLN 31 -13.638 2.651 3.772 252 HA GLN 31 HA GLN 31 -12.278 1.316 6.052 253 HB2 GLN 31 HB2 GLN 31 -14.437 -0.039 4.368 254 HB3 GLN 31 HB3 GLN 31 -13.564 -0.720 5.726 255 HG2 GLN 31 HG2 GLN 31 -15.240 -0.100 7.069 256 HG3 GLN 31 HG3 GLN 31 -14.822 1.581 6.758 257 HE21 GLN 31 HE21 GLN 31 -15.689 1.989 4.093 258 HE22 GLN 31 HE22 GLN 31 -17.430 1.955 4.221 259 H VAL 32 HN VAL 32 -10.711 -0.268 5.206 260 HA VAL 32 HA VAL 32 -10.253 0.028 2.276 261 HB VAL 32 HB VAL 32 -8.480 0.923 3.781 262 HG11 VAL 32 HG11 VAL 32 -6.882 -0.467 4.860 263 HG12 VAL 32 HG12 VAL 32 -8.477 -0.918 5.495 264 HG13 VAL 32 HG13 VAL 32 -7.680 -1.956 4.303 265 HG21 VAL 32 HG21 VAL 32 -8.121 0.258 1.405 266 HG22 VAL 32 HG22 VAL 32 -6.674 0.109 2.407 267 HG23 VAL 32 HG23 VAL 32 -7.597 -1.345 1.961 268 H LEU 33 HN LEU 33 -10.533 -1.880 1.077 269 HA LEU 33 HA LEU 33 -10.873 -4.442 2.591 270 HB2 LEU 33 HB2 LEU 33 -12.553 -4.424 0.282 271 HB3 LEU 33 HB3 LEU 33 -12.953 -4.682 1.954 272 HG LEU 33 HG LEU 33 -12.740 -1.876 0.778 273 HD11 LEU 33 HD11 LEU 33 -15.123 -3.764 0.741 274 HD12 LEU 33 HD12 LEU 33 -14.220 -3.135 -0.655 275 HD13 LEU 33 HD13 LEU 33 -15.165 -2.037 0.332 276 HD21 LEU 33 HD21 LEU 33 -14.423 -3.005 3.075 277 HD22 LEU 33 HD22 LEU 33 -14.318 -1.312 2.543 278 HD23 LEU 33 HD23 LEU 33 -12.921 -2.096 3.289 279 H PHE 34 HN PHE 34 -8.644 -3.300 0.603 280 HA PHE 34 HA PHE 34 -8.418 -5.862 -0.901 281 HB2 PHE 34 HB2 PHE 34 -9.053 -3.304 -2.055 282 HB3 PHE 34 HB3 PHE 34 -7.444 -3.723 -2.572 283 HD1 PHE 34 HD2 PHE 34 -11.025 -4.665 -2.681 284 HD2 PHE 34 HD1 PHE 34 -7.048 -5.578 -4.085 285 HE1 PHE 34 HE2 PHE 34 -11.979 -6.077 -4.459 286 HE2 PHE 34 HE1 PHE 34 -7.997 -6.986 -5.877 287 HZ PHE 34 HZ PHE 34 -10.460 -7.282 -6.052 288 H LYS 35 HN LYS 35 -6.208 -6.099 -1.824 289 HA LYS 35 HA LYS 35 -4.069 -4.379 -0.947 290 HB2 LYS 35 HB2 LYS 35 -3.763 -7.316 -0.234 291 HB3 LYS 35 HB3 LYS 35 -2.685 -5.994 0.133 292 HG2 LYS 35 HG2 LYS 35 -4.407 -5.102 1.754 293 HG3 LYS 35 HG3 LYS 35 -5.419 -6.508 1.371 294 HD2 LYS 35 HD2 LYS 35 -3.187 -7.826 2.023 295 HD3 LYS 35 HD3 LYS 35 -2.857 -6.369 2.935 296 HE2 LYS 35 HE2 LYS 35 -5.367 -8.108 3.134 297 HE3 LYS 35 HE3 LYS 35 -4.017 -8.165 4.261 298 HZ1 LYS 35 HZ1 LYS 35 -5.791 -5.826 3.867 299 HZ2 LYS 35 HZ2 LYS 35 -4.538 -5.911 4.936 300 HZ3 LYS 35 HZ3 LYS 35 -5.850 -6.845 5.110 301 H GLN 36 HN GLN 36 -3.417 -3.989 -3.056 302 HA GLN 36 HA GLN 36 -2.692 -6.390 -4.692 303 HB2 GLN 36 HB2 GLN 36 -3.942 -3.786 -5.649 304 HB3 GLN 36 HB3 GLN 36 -3.042 -4.862 -6.699 305 HG2 GLN 36 HG2 GLN 36 -5.078 -6.340 -5.224 306 HG3 GLN 36 HG3 GLN 36 -5.787 -4.948 -6.035 307 HE21 GLN 36 HE21 GLN 36 -4.956 -8.204 -6.499 308 HE22 GLN 36 HE22 GLN 36 -5.064 -8.174 -8.265 309 H LYS 37 HN LYS 37 -0.765 -6.181 -5.874 310 HA LYS 37 HA LYS 37 1.114 -4.145 -4.793 311 HB2 LYS 37 HB2 LYS 37 1.662 -6.572 -6.562 312 HB3 LYS 37 HB3 LYS 37 2.858 -5.414 -5.988 313 HG2 LYS 37 HG2 LYS 37 1.898 -6.026 -3.590 314 HG3 LYS 37 HG3 LYS 37 1.358 -7.494 -4.396 315 HD2 LYS 37 HD2 LYS 37 4.211 -6.404 -4.351 316 HD3 LYS 37 HD3 LYS 37 3.614 -7.668 -3.284 317 HE2 LYS 37 HE2 LYS 37 3.594 -7.944 -6.325 318 HE3 LYS 37 HE3 LYS 37 4.981 -8.386 -5.319 319 HZ1 LYS 37 HZ1 LYS 37 3.740 -10.309 -5.618 320 HZ2 LYS 37 HZ2 LYS 37 2.287 -9.604 -5.135 321 HZ3 LYS 37 HZ3 LYS 37 3.484 -9.852 -4.068 322 H VAL 38 HN VAL 38 2.692 -3.440 -6.574 323 HA VAL 38 HA VAL 38 1.462 -2.686 -9.091 324 HB VAL 38 HB VAL 38 2.091 -0.285 -8.771 325 HG11 VAL 38 HG11 VAL 38 0.181 0.412 -7.412 326 HG12 VAL 38 HG12 VAL 38 -0.273 -0.946 -8.441 327 HG13 VAL 38 HG13 VAL 38 0.029 -1.207 -6.719 328 HG21 VAL 38 HG21 VAL 38 2.355 0.655 -6.526 329 HG22 VAL 38 HG22 VAL 38 2.311 -0.974 -5.827 330 HG23 VAL 38 HG23 VAL 38 3.665 -0.470 -6.862 331 H TRP 39 HN TRP 39 3.639 -0.983 -9.788 332 HA TRP 39 HA TRP 39 5.946 -2.498 -10.412 333 HB2 TRP 39 HB2 TRP 39 5.257 -0.277 -11.316 334 HB3 TRP 39 HB3 TRP 39 5.407 0.404 -9.724 335 HD1 TRP 39 HD1 TRP 39 7.598 -0.837 -12.610 336 HE1 TRP 39 HE1 TRP 39 9.664 0.674 -12.675 337 HE3 TRP 39 HE3 TRP 39 6.995 1.522 -8.115 338 HZ2 TRP 39 HZ2 TRP 39 10.747 2.848 -11.092 339 HZ3 TRP 39 HZ3 TRP 39 8.498 3.369 -7.456 340 HH2 TRP 39 HH2 TRP 39 10.359 4.072 -8.955 341 H ASP 40 HN ASP 40 8.081 -2.334 -9.363 342 HA ASP 40 HA ASP 40 8.415 -0.785 -7.074 343 HB2 ASP 40 HB2 ASP 40 8.938 -2.201 -5.365 344 HB3 ASP 40 HB3 ASP 40 7.483 -2.924 -5.982 345 H ARG 41 HN ARG 41 10.769 -0.921 -6.324 346 HA ARG 41 HA ARG 41 12.630 -2.240 -8.086 347 HB2 ARG 41 HB2 ARG 41 13.712 -0.330 -9.004 348 HB3 ARG 41 HB3 ARG 41 12.023 -0.278 -9.461 349 HG2 ARG 41 HG2 ARG 41 11.541 1.583 -8.171 350 HG3 ARG 41 HG3 ARG 41 12.874 1.319 -7.033 351 HD2 ARG 41 HD2 ARG 41 14.527 1.892 -8.609 352 HD3 ARG 41 HD3 ARG 41 13.374 1.940 -9.956 353 HE ARG 41 HE ARG 41 13.354 3.860 -7.636 354 HH11 ARG 41 HH11 ARG 41 12.960 3.377 -11.202 355 HH12 ARG 41 HH12 ARG 41 12.977 5.057 -11.501 356 HH21 ARG 41 HH21 ARG 41 13.332 5.987 -8.078 357 HH22 ARG 41 HH22 ARG 41 13.239 6.591 -9.725 358 H LYS 42 HN LYS 42 14.986 -1.040 -7.513 359 HA LYS 42 HA LYS 42 14.794 0.350 -5.067 360 HB2 LYS 42 HB2 LYS 42 16.744 -0.592 -3.931 361 HB3 LYS 42 HB3 LYS 42 15.437 -1.739 -4.015 362 HG2 LYS 42 HG2 LYS 42 17.685 -1.841 -6.074 363 HG3 LYS 42 HG3 LYS 42 17.937 -2.418 -4.440 364 HD2 LYS 42 HD2 LYS 42 17.180 -4.393 -5.079 365 HD3 LYS 42 HD3 LYS 42 15.565 -3.696 -5.060 366 HE2 LYS 42 HE2 LYS 42 15.866 -3.080 -7.488 367 HE3 LYS 42 HE3 LYS 42 17.449 -3.875 -7.458 368 HZ1 LYS 42 HZ1 LYS 42 15.548 -5.286 -8.281 369 HZ2 LYS 42 HZ2 LYS 42 14.937 -5.256 -6.768 370 HZ3 LYS 42 HZ3 LYS 42 16.388 -5.951 -7.028 371 H ARG 43 HN ARG 43 17.096 1.326 -4.573 372 HA ARG 43 HA ARG 43 18.250 2.414 -7.077 373 HB2 ARG 43 HB2 ARG 43 17.601 3.879 -4.471 374 HB3 ARG 43 HB3 ARG 43 18.481 4.580 -5.812 375 HG2 ARG 43 HG2 ARG 43 15.817 3.453 -6.574 376 HG3 ARG 43 HG3 ARG 43 15.743 4.761 -5.410 377 HD2 ARG 43 HD2 ARG 43 17.463 5.064 -7.883 378 HD3 ARG 43 HD3 ARG 43 15.703 5.230 -8.000 379 HE ARG 43 HE ARG 43 16.851 6.762 -5.823 380 HH11 ARG 43 HH11 ARG 43 16.355 6.934 -9.335 381 HH12 ARG 43 HH12 ARG 43 16.096 8.671 -9.313 382 HH21 ARG 43 HH21 ARG 43 16.368 9.002 -5.822 383 HH22 ARG 43 HH22 ARG 43 16.047 9.829 -7.299 384 H LYS 44 HN LYS 44 20.350 3.771 -5.616 385 HA LYS 44 HA LYS 44 22.131 1.585 -4.891 386 HB2 LYS 44 HB2 LYS 44 22.211 4.614 -4.712 387 HB3 LYS 44 HB3 LYS 44 23.323 3.671 -3.736 388 HG2 LYS 44 HG2 LYS 44 24.385 4.374 -5.776 389 HG3 LYS 44 HG3 LYS 44 24.302 2.616 -5.684 390 HD2 LYS 44 HD2 LYS 44 22.549 2.528 -7.305 391 HD3 LYS 44 HD3 LYS 44 22.327 4.284 -7.285 392 HE2 LYS 44 HE2 LYS 44 24.958 2.965 -8.070 393 HE3 LYS 44 HE3 LYS 44 23.673 3.241 -9.258 394 HZ1 LYS 44 HZ1 LYS 44 24.344 5.589 -7.743 395 HZ2 LYS 44 HZ2 LYS 44 24.208 5.408 -9.378 396 HZ3 LYS 44 HZ3 LYS 44 25.595 5.015 -8.585 397 H ASP 45 HN ASP 45 20.562 4.183 -2.953 398 HA ASP 45 HA ASP 45 20.545 2.500 -0.545 399 HB2 ASP 45 HB2 ASP 45 21.551 4.525 0.554 400 HB3 ASP 45 HB3 ASP 45 22.596 3.621 -0.521 401 H GLU 46 HN GLU 46 18.354 3.107 -2.251 402 HA GLU 46 HA GLU 46 16.645 3.560 -0.092 403 HB2 GLU 46 HB2 GLU 46 16.836 5.941 -1.226 404 HB3 GLU 46 HB3 GLU 46 15.827 5.218 -2.495 405 HG2 GLU 46 HG2 GLU 46 14.087 4.695 -0.812 406 HG3 GLU 46 HG3 GLU 46 15.120 5.322 0.473 407 H ALA 47 HN ALA 47 14.367 2.795 -0.894 408 HA ALA 47 HA ALA 47 14.219 1.403 -3.437 409 HB1 ALA 47 HB1 ALA 47 14.020 -0.045 -0.763 410 HB2 ALA 47 HB2 ALA 47 13.659 -0.761 -2.357 411 HB3 ALA 47 HB3 ALA 47 15.318 -0.275 -1.946 412 H VAL 48 HN VAL 48 11.961 0.700 -3.848 413 HA VAL 48 HA VAL 48 9.944 1.917 -2.080 414 HB VAL 48 HB VAL 48 8.885 3.006 -4.089 415 HG11 VAL 48 HG11 VAL 48 10.169 5.049 -3.933 416 HG12 VAL 48 HG12 VAL 48 10.131 4.281 -2.338 417 HG13 VAL 48 HG13 VAL 48 11.588 4.161 -3.325 418 HG21 VAL 48 HG21 VAL 48 11.646 2.724 -5.376 419 HG22 VAL 48 HG22 VAL 48 10.148 1.951 -5.946 420 HG23 VAL 48 HG23 VAL 48 10.305 3.706 -5.976 421 H LYS 49 HN LYS 49 8.306 0.552 -1.866 422 HA LYS 49 HA LYS 49 7.361 -1.117 -4.114 423 HB2 LYS 49 HB2 LYS 49 7.805 -2.111 -1.247 424 HB3 LYS 49 HB3 LYS 49 6.803 -2.911 -2.453 425 HG2 LYS 49 HG2 LYS 49 8.637 -3.618 -3.709 426 HG3 LYS 49 HG3 LYS 49 9.736 -2.447 -2.968 427 HD2 LYS 49 HD2 LYS 49 10.216 -4.710 -2.219 428 HD3 LYS 49 HD3 LYS 49 9.691 -3.704 -0.877 429 HE2 LYS 49 HE2 LYS 49 8.710 -5.893 -0.647 430 HE3 LYS 49 HE3 LYS 49 7.419 -4.737 -1.004 431 HZ1 LYS 49 HZ1 LYS 49 8.619 -6.630 -2.939 432 HZ2 LYS 49 HZ2 LYS 49 7.439 -5.528 -3.299 433 HZ3 LYS 49 HZ3 LYS 49 7.147 -6.722 -2.239 434 H GLN 50 HN GLN 50 5.745 0.558 -4.351 435 HA GLN 50 HA GLN 50 4.093 1.221 -1.996 436 HB2 GLN 50 HB2 GLN 50 3.595 1.910 -4.924 437 HB3 GLN 50 HB3 GLN 50 2.806 2.582 -3.511 438 HG2 GLN 50 HG2 GLN 50 4.277 4.260 -3.752 439 HG3 GLN 50 HG3 GLN 50 5.380 3.199 -2.866 440 HE21 GLN 50 HE21 GLN 50 5.994 5.361 -4.892 441 HE22 GLN 50 HE22 GLN 50 6.610 4.559 -6.295 442 H TYR 51 HN TYR 51 1.566 1.002 -2.705 443 HA TYR 51 HA TYR 51 0.932 -1.549 -3.974 444 HB2 TYR 51 HB2 TYR 51 -0.012 -0.894 -1.144 445 HB3 TYR 51 HB3 TYR 51 -0.442 -2.315 -2.077 446 HD1 TYR 51 HD1 TYR 51 2.129 -0.624 -0.176 447 HD2 TYR 51 HD2 TYR 51 1.270 -4.084 -2.540 448 HE1 TYR 51 HE1 TYR 51 4.311 -1.508 0.414 449 HE2 TYR 51 HE2 TYR 51 3.538 -5.010 -2.034 450 HH TYR 51 HH TYR 51 5.886 -3.020 -0.410 451 H HIS 52 HN HIS 52 -1.501 -1.673 -4.109 452 HA HIS 52 HA HIS 52 -2.840 0.953 -3.909 453 HB2 HIS 52 HB2 HIS 52 -2.191 0.275 -6.328 454 HB3 HIS 52 HB3 HIS 52 -3.392 -1.007 -6.166 455 HD1 HIS 52 HD1 HIS 52 -3.828 2.663 -4.901 456 HD2 HIS 52 HD2 HIS 52 -5.130 -0.005 -7.908 457 HE1 HIS 52 HE1 HIS 52 -5.500 3.929 -6.325 458 H LEU 53 HN LEU 53 -4.627 0.750 -2.644 459 HA LEU 53 HA LEU 53 -5.753 -1.964 -2.147 460 HB2 LEU 53 HB2 LEU 53 -6.074 0.476 -0.385 461 HB3 LEU 53 HB3 LEU 53 -6.386 -1.210 -0.028 462 HG LEU 53 HG LEU 53 -4.604 -0.614 1.235 463 HD11 LEU 53 HD11 LEU 53 -2.643 -1.881 0.586 464 HD12 LEU 53 HD12 LEU 53 -3.352 -2.140 -1.020 465 HD13 LEU 53 HD13 LEU 53 -4.173 -2.760 0.444 466 HD21 LEU 53 HD21 LEU 53 -2.812 0.432 -0.932 467 HD22 LEU 53 HD22 LEU 53 -2.647 0.513 0.834 468 HD23 LEU 53 HD23 LEU 53 -3.898 1.468 0.023 469 H THR 54 HN THR 54 -8.238 -1.370 -1.295 470 HA THR 54 HA THR 54 -9.423 0.687 -3.066 471 HB THR 54 HB THR 54 -10.682 -1.978 -2.394 472 HG1 THR 54 HG1 THR 54 -10.391 -2.257 -4.725 473 HG21 THR 54 HG21 THR 54 -12.301 -0.192 -2.846 474 HG22 THR 54 HG22 THR 54 -12.303 -1.408 -4.127 475 HG23 THR 54 HG23 THR 54 -11.501 0.166 -4.395 476 H LEU 55 HN LEU 55 -10.043 2.208 -1.686 477 HA LEU 55 HA LEU 55 -11.057 1.585 1.029 478 HB2 LEU 55 HB2 LEU 55 -10.580 4.153 -0.498 479 HB3 LEU 55 HB3 LEU 55 -11.744 4.135 0.797 480 HG LEU 55 HG LEU 55 -9.758 5.001 1.639 481 HD11 LEU 55 HD11 LEU 55 -9.935 2.264 2.811 482 HD12 LEU 55 HD12 LEU 55 -11.063 3.591 3.168 483 HD13 LEU 55 HD13 LEU 55 -9.345 3.752 3.567 484 HD21 LEU 55 HD21 LEU 55 -8.139 4.050 0.131 485 HD22 LEU 55 HD22 LEU 55 -8.297 2.461 0.898 486 HD23 LEU 55 HD23 LEU 55 -7.637 3.847 1.805 487 H ARG 56 HN ARG 56 -13.260 2.126 1.619 488 HA ARG 56 HA ARG 56 -15.249 2.520 -0.560 489 HB2 ARG 56 HB2 ARG 56 -15.213 0.165 0.070 490 HB3 ARG 56 HB3 ARG 56 -15.306 0.582 1.783 491 HG2 ARG 56 HG2 ARG 56 -17.565 1.416 1.555 492 HG3 ARG 56 HG3 ARG 56 -17.509 1.259 -0.216 493 HD2 ARG 56 HD2 ARG 56 -17.436 -1.119 -0.117 494 HD3 ARG 56 HD3 ARG 56 -17.003 -1.133 1.587 495 HE ARG 56 HE ARG 56 -19.643 -0.802 0.387 496 HH11 ARG 56 HH11 ARG 56 -17.839 -0.330 3.398 497 HH12 ARG 56 HH12 ARG 56 -18.922 -1.225 4.393 498 HH21 ARG 56 HH21 ARG 56 -21.300 -1.809 1.807 499 HH22 ARG 56 HH22 ARG 56 -21.082 -1.751 3.514 500 H GLU 57 HN GLU 57 -16.576 4.213 -0.112 501 HA GLU 57 HA GLU 57 -16.848 5.206 2.669 502 HB2 GLU 57 HB2 GLU 57 -14.937 6.368 1.602 503 HB3 GLU 57 HB3 GLU 57 -15.979 6.896 0.285 504 HG2 GLU 57 HG2 GLU 57 -17.369 8.147 1.946 505 HG3 GLU 57 HG3 GLU 57 -16.271 7.617 3.231 506 H GLY 58 HN GLY 58 -18.963 4.878 2.851 507 HA2 GLY 58 HA1 GLY 58 -21.175 5.595 2.746 508 HA3 GLY 58 HA2 GLY 58 -20.805 6.590 1.334 509 H SER 59 HN SER 59 -20.544 5.515 -0.685 510 HA SER 59 HA SER 59 -20.959 2.660 -0.922 511 HB2 SER 59 HB2 SER 59 -22.728 2.853 -2.687 512 HB3 SER 59 HB3 SER 59 -23.266 3.189 -1.042 513 HG SER 59 HG SER 59 -23.787 4.620 -2.997 514 H LYS 60 HN LYS 60 -19.165 5.272 -1.689 515 HA LYS 60 HA LYS 60 -18.558 4.471 -4.471 516 HB2 LYS 60 HB2 LYS 60 -18.377 6.845 -4.031 517 HB3 LYS 60 HB3 LYS 60 -17.381 6.587 -2.599 518 HG2 LYS 60 HG2 LYS 60 -15.561 6.157 -3.846 519 HG3 LYS 60 HG3 LYS 60 -16.438 5.497 -5.228 520 HD2 LYS 60 HD2 LYS 60 -15.364 7.506 -5.892 521 HD3 LYS 60 HD3 LYS 60 -17.126 7.719 -5.888 522 HE2 LYS 60 HE2 LYS 60 -17.068 9.071 -3.929 523 HE3 LYS 60 HE3 LYS 60 -15.399 8.605 -3.553 524 HZ1 LYS 60 HZ1 LYS 60 -16.074 10.109 -6.005 525 HZ2 LYS 60 HZ2 LYS 60 -14.591 9.880 -5.305 526 HZ3 LYS 60 HZ3 LYS 60 -15.690 10.823 -4.566 527 H GLU 61 HN GLU 61 -16.652 3.392 -4.949 528 HA GLU 61 HA GLU 61 -14.800 2.778 -2.751 529 HB2 GLU 61 HB2 GLU 61 -15.860 0.854 -4.816 530 HB3 GLU 61 HB3 GLU 61 -14.161 0.739 -4.376 531 HG2 GLU 61 HG2 GLU 61 -14.560 0.086 -2.219 532 HG3 GLU 61 HG3 GLU 61 -15.996 1.066 -2.075 533 H PHE 62 HN PHE 62 -12.690 3.004 -3.262 534 HA PHE 62 HA PHE 62 -11.857 4.125 -5.859 535 HB2 PHE 62 HB2 PHE 62 -11.097 6.264 -4.979 536 HB3 PHE 62 HB3 PHE 62 -12.838 6.121 -4.872 537 HD1 PHE 62 HD2 PHE 62 -13.875 5.476 -2.600 538 HD2 PHE 62 HD1 PHE 62 -9.802 6.836 -3.017 539 HE1 PHE 62 HE2 PHE 62 -13.832 6.021 -0.232 540 HE2 PHE 62 HE1 PHE 62 -9.760 7.401 -0.603 541 HZ PHE 62 HZ PHE 62 -11.775 6.983 0.829 542 H GLY 63 HN GLY 63 -9.583 4.154 -6.102 543 HA2 GLY 63 HA1 GLY 63 -8.152 2.523 -4.143 544 HA3 GLY 63 HA2 GLY 63 -7.631 2.993 -5.730 545 H VAL 64 HN VAL 64 -6.386 3.292 -2.888 546 HA VAL 64 HA VAL 64 -5.271 5.969 -3.581 547 HB VAL 64 HB VAL 64 -4.970 6.482 -1.284 548 HG11 VAL 64 HG11 VAL 64 -7.245 6.705 -0.482 549 HG12 VAL 64 HG12 VAL 64 -7.192 6.974 -2.224 550 HG13 VAL 64 HG13 VAL 64 -7.812 5.450 -1.587 551 HG21 VAL 64 HG21 VAL 64 -5.950 3.732 -0.547 552 HG22 VAL 64 HG22 VAL 64 -4.359 4.447 -0.244 553 HG23 VAL 64 HG23 VAL 64 -5.790 5.093 0.580 554 H PHE 65 HN PHE 65 -2.945 6.194 -3.061 555 HA PHE 65 HA PHE 65 -1.510 3.576 -3.369 556 HB2 PHE 65 HB2 PHE 65 -0.896 6.294 -4.573 557 HB3 PHE 65 HB3 PHE 65 0.195 4.949 -4.613 558 HD1 PHE 65 HD2 PHE 65 -0.372 2.908 -5.996 559 HD2 PHE 65 HD1 PHE 65 -2.806 6.468 -5.995 560 HE1 PHE 65 HE2 PHE 65 -1.466 2.179 -8.120 561 HE2 PHE 65 HE1 PHE 65 -3.893 5.733 -8.104 562 HZ PHE 65 HZ PHE 65 -3.231 3.584 -9.155 563 H VAL 66 HN VAL 66 0.077 3.178 -1.935 564 HA VAL 66 HA VAL 66 0.571 5.274 0.120 565 HB VAL 66 HB VAL 66 0.841 2.271 0.434 566 HG11 VAL 66 HG11 VAL 66 0.512 3.287 2.937 567 HG12 VAL 66 HG12 VAL 66 2.102 3.096 2.171 568 HG13 VAL 66 HG13 VAL 66 1.310 4.669 2.188 569 HG21 VAL 66 HG21 VAL 66 -1.485 4.108 1.145 570 HG22 VAL 66 HG22 VAL 66 -1.503 2.756 0.006 571 HG23 VAL 66 HG23 VAL 66 -1.285 2.446 1.723 572 H THR 67 HN THR 67 2.352 6.349 -0.254 573 HA THR 67 HA THR 67 4.658 5.369 -1.700 574 HB THR 67 HB THR 67 4.367 7.809 0.084 575 HG1 THR 67 HG1 THR 67 3.751 8.835 -2.020 576 HG21 THR 67 HG21 THR 67 6.002 7.368 -2.441 577 HG22 THR 67 HG22 THR 67 6.643 7.383 -0.782 578 HG23 THR 67 HG23 THR 67 5.953 8.860 -1.475 579 H ILE 68 HN ILE 68 6.190 4.104 -0.709 580 HA ILE 68 HA ILE 68 6.830 4.529 2.147 581 HB ILE 68 HB ILE 68 6.373 1.809 0.864 582 HG12 ILE 68 HG12 ILE 68 5.025 3.137 3.252 583 HG13 ILE 68 HG13 ILE 68 4.316 2.909 1.654 584 HG21 ILE 68 HG21 ILE 68 7.442 2.425 3.670 585 HG22 ILE 68 HG22 ILE 68 7.159 0.811 2.999 586 HG23 ILE 68 HG23 ILE 68 8.434 1.833 2.328 587 HD11 ILE 68 HD11 ILE 68 5.007 0.710 3.621 588 HD12 ILE 68 HD12 ILE 68 3.411 1.253 3.115 589 HD13 ILE 68 HD13 ILE 68 4.464 0.443 1.943 590 H SER 69 HN SER 69 8.831 5.318 1.975 591 HA SER 69 HA SER 69 10.715 4.361 -0.129 592 HB2 SER 69 HB2 SER 69 10.640 6.811 1.673 593 HB3 SER 69 HB3 SER 69 12.147 6.218 0.958 594 HG SER 69 HG SER 69 11.627 6.978 -0.857 595 H PHE 70 HN PHE 70 12.038 2.777 0.590 596 HA PHE 70 HA PHE 70 12.671 2.653 3.466 597 HB2 PHE 70 HB2 PHE 70 12.309 0.349 3.636 598 HB3 PHE 70 HB3 PHE 70 10.829 1.021 2.990 599 HD1 PHE 70 HD2 PHE 70 10.427 0.796 0.407 600 HD2 PHE 70 HD1 PHE 70 13.500 -1.336 2.493 601 HE1 PHE 70 HE2 PHE 70 10.536 -0.874 -1.423 602 HE2 PHE 70 HE1 PHE 70 13.579 -3.045 0.674 603 HZ PHE 70 HZ PHE 70 12.071 -2.817 -1.278 604 H ASP 71 HN ASP 71 14.518 1.000 3.714 605 HA ASP 71 HA ASP 71 16.512 1.769 1.652 606 HB2 ASP 71 HB2 ASP 71 16.514 1.812 4.438 607 HB3 ASP 71 HB3 ASP 71 17.439 0.366 4.027 608 HA PRO 72 HA PRO 72 16.667 -2.480 0.294 609 HB2 PRO 72 HB2 PRO 72 19.026 -2.514 -1.083 610 HB3 PRO 72 HB3 PRO 72 17.529 -1.744 -1.697 611 HG2 PRO 72 HG2 PRO 72 19.903 -0.435 -0.351 612 HG3 PRO 72 HG3 PRO 72 19.008 0.109 -1.806 613 HD2 PRO 72 HD2 PRO 72 18.516 1.142 0.669 614 HD3 PRO 72 HD3 PRO 72 17.206 0.888 -0.516 615 H TYR 73 HN TYR 73 19.199 -1.057 2.319 616 HA TYR 73 HA TYR 73 20.847 -3.343 2.589 617 HB2 TYR 73 HB2 TYR 73 20.367 -0.908 4.332 618 HB3 TYR 73 HB3 TYR 73 21.484 -2.170 4.801 619 HD1 TYR 73 HD1 TYR 73 20.770 0.064 1.808 620 HD2 TYR 73 HD2 TYR 73 23.745 -1.888 4.281 621 HE1 TYR 73 HE1 TYR 73 22.535 1.308 0.661 622 HE2 TYR 73 HE2 TYR 73 25.503 -0.608 3.152 623 HH TYR 73 HH TYR 73 25.958 0.770 1.215 624 H SER 74 HN SER 74 18.320 -2.135 4.859 625 HA SER 74 HA SER 74 17.929 -4.876 5.913 626 HB2 SER 74 HB2 SER 74 19.806 -3.297 7.008 627 HB3 SER 74 HB3 SER 74 18.395 -2.573 7.804 628 HG SER 74 HG SER 74 19.382 -5.231 7.873 629 H GLN 75 HN GLN 75 16.297 -2.631 4.412 630 HA GLN 75 HA GLN 75 14.208 -1.795 4.433 631 HB2 GLN 75 HB2 GLN 75 13.866 -4.401 5.925 632 HB3 GLN 75 HB3 GLN 75 12.511 -3.302 5.820 633 HG2 GLN 75 HG2 GLN 75 12.153 -4.697 4.096 634 HG3 GLN 75 HG3 GLN 75 12.810 -3.304 3.295 635 HE21 GLN 75 HE21 GLN 75 15.157 -3.421 2.471 636 HE22 GLN 75 HE22 GLN 75 15.663 -5.059 2.083 637 H LYS 76 HN LYS 76 15.896 -0.325 6.090 638 HA LYS 76 HA LYS 76 14.239 0.511 8.386 639 HB2 LYS 76 HB2 LYS 76 16.739 1.524 6.990 640 HB3 LYS 76 HB3 LYS 76 15.710 2.654 7.845 641 HG2 LYS 76 HG2 LYS 76 17.470 1.932 9.310 642 HG3 LYS 76 HG3 LYS 76 15.904 1.413 9.932 643 HD2 LYS 76 HD2 LYS 76 16.342 -0.892 9.103 644 HD3 LYS 76 HD3 LYS 76 17.937 -0.347 8.514 645 HE2 LYS 76 HE2 LYS 76 18.591 0.302 10.785 646 HE3 LYS 76 HE3 LYS 76 17.009 -0.204 11.394 647 HZ1 LYS 76 HZ1 LYS 76 18.701 -1.887 11.745 648 HZ2 LYS 76 HZ2 LYS 76 19.040 -1.964 10.168 649 HZ3 LYS 76 HZ3 LYS 76 17.562 -2.486 10.713 650 H VAL 77 HN VAL 77 12.276 1.485 7.917 651 HA VAL 77 HA VAL 77 11.703 2.449 5.231 652 HB VAL 77 HB VAL 77 9.909 1.491 6.133 653 HG11 VAL 77 HG11 VAL 77 8.842 1.980 8.282 654 HG12 VAL 77 HG12 VAL 77 10.450 1.289 8.466 655 HG13 VAL 77 HG13 VAL 77 10.217 3.043 8.708 656 HG21 VAL 77 HG21 VAL 77 9.403 3.634 5.037 657 HG22 VAL 77 HG22 VAL 77 8.196 3.160 6.231 658 HG23 VAL 77 HG23 VAL 77 9.371 4.428 6.628 659 H ASN 78 HN ASN 78 12.437 4.253 4.513 660 HA ASN 78 HA ASN 78 13.845 6.161 6.202 661 HB2 ASN 78 HB2 ASN 78 13.308 5.965 3.199 662 HB3 ASN 78 HB3 ASN 78 14.104 7.346 3.953 663 HD21 ASN 78 HD21 ASN 78 14.927 4.337 2.503 664 HD22 ASN 78 HD22 ASN 78 16.433 4.188 3.393 665 H LYS 79 HN LYS 79 10.821 6.115 4.170 666 HA LYS 79 HA LYS 79 9.508 7.833 6.095 667 HB2 LYS 79 HB2 LYS 79 10.796 9.018 3.755 668 HB3 LYS 79 HB3 LYS 79 9.053 9.167 3.585 669 HG2 LYS 79 HG2 LYS 79 9.008 10.130 5.959 670 HG3 LYS 79 HG3 LYS 79 10.787 10.180 5.873 671 HD2 LYS 79 HD2 LYS 79 10.575 11.530 3.752 672 HD3 LYS 79 HD3 LYS 79 8.810 11.530 3.985 673 HE2 LYS 79 HE2 LYS 79 9.242 12.583 6.282 674 HE3 LYS 79 HE3 LYS 79 10.936 12.757 5.778 675 HZ1 LYS 79 HZ1 LYS 79 8.553 14.052 4.650 676 HZ2 LYS 79 HZ2 LYS 79 9.964 13.979 3.799 677 HZ3 LYS 79 HZ3 LYS 79 9.927 14.748 5.265 678 H ILE 80 HN ILE 80 7.205 8.374 5.236 679 HA ILE 80 HA ILE 80 6.159 6.457 3.303 680 HB ILE 80 HB ILE 80 5.039 6.873 6.113 681 HG12 ILE 80 HG12 ILE 80 6.309 4.426 4.819 682 HG13 ILE 80 HG13 ILE 80 6.931 5.366 6.178 683 HG21 ILE 80 HG21 ILE 80 3.240 5.321 5.548 684 HG22 ILE 80 HG22 ILE 80 3.202 6.635 4.398 685 HG23 ILE 80 HG23 ILE 80 3.900 5.083 3.921 686 HD11 ILE 80 HD11 ILE 80 4.937 4.690 7.529 687 HD12 ILE 80 HD12 ILE 80 4.509 3.564 6.207 688 HD13 ILE 80 HD13 ILE 80 6.032 3.367 7.078 689 H ALA 81 HN ALA 81 4.220 7.368 2.298 690 HA ALA 81 HA ALA 81 3.036 9.775 3.333 691 HB1 ALA 81 HB1 ALA 81 4.766 10.832 1.942 692 HB2 ALA 81 HB2 ALA 81 4.289 9.857 0.539 693 HB3 ALA 81 HB3 ALA 81 3.176 11.049 1.202 694 H ILE 82 HN ILE 82 1.035 10.284 1.780 695 HA ILE 82 HA ILE 82 -0.106 7.730 0.755 696 HB ILE 82 HB ILE 82 -1.378 9.658 2.672 697 HG12 ILE 82 HG12 ILE 82 0.219 7.939 3.661 698 HG13 ILE 82 HG13 ILE 82 -1.412 7.895 4.233 699 HG21 ILE 82 HG21 ILE 82 -3.358 8.204 2.620 700 HG22 ILE 82 HG22 ILE 82 -3.061 8.891 1.021 701 HG23 ILE 82 HG23 ILE 82 -2.638 7.219 1.326 702 HD11 ILE 82 HD11 ILE 82 -1.932 5.847 3.273 703 HD12 ILE 82 HD12 ILE 82 -0.623 5.995 2.061 704 HD13 ILE 82 HD13 ILE 82 -0.233 5.668 3.750 705 H LEU 83 HN LEU 83 -1.607 8.056 -0.993 706 HA LEU 83 HA LEU 83 -1.834 10.730 -2.243 707 HB2 LEU 83 HB2 LEU 83 0.157 9.291 -2.983 708 HB3 LEU 83 HB3 LEU 83 -0.971 8.122 -3.550 709 HG LEU 83 HG LEU 83 0.080 9.424 -5.276 710 HD11 LEU 83 HD11 LEU 83 -2.823 10.209 -5.387 711 HD12 LEU 83 HD12 LEU 83 -2.275 8.528 -5.559 712 HD13 LEU 83 HD13 LEU 83 -1.727 9.762 -6.696 713 HD21 LEU 83 HD21 LEU 83 -1.425 11.872 -4.274 714 HD22 LEU 83 HD22 LEU 83 -0.295 11.767 -5.634 715 HD23 LEU 83 HD23 LEU 83 0.308 11.562 -3.983 716 H GLU 84 HN GLU 84 -3.783 10.851 -3.404 717 HA GLU 84 HA GLU 84 -5.723 8.615 -2.966 718 HB2 GLU 84 HB2 GLU 84 -5.933 11.184 -1.929 719 HB3 GLU 84 HB3 GLU 84 -6.863 11.308 -3.427 720 HG2 GLU 84 HG2 GLU 84 -8.104 9.185 -2.650 721 HG3 GLU 84 HG3 GLU 84 -7.291 9.397 -1.112 722 H GLU 85 HN GLU 85 -6.864 7.894 -4.780 723 HA GLU 85 HA GLU 85 -6.239 9.006 -7.425 724 HB2 GLU 85 HB2 GLU 85 -6.574 6.525 -6.958 725 HB3 GLU 85 HB3 GLU 85 -8.268 6.894 -6.567 726 HG2 GLU 85 HG2 GLU 85 -8.055 5.960 -8.795 727 HG3 GLU 85 HG3 GLU 85 -8.702 7.592 -8.851 728 H TYR 86 HN TYR 86 -7.995 9.922 -8.763 729 HA TYR 86 HA TYR 86 -10.461 10.757 -7.436 730 HB2 TYR 86 HB2 TYR 86 -10.114 13.153 -7.975 731 HB3 TYR 86 HB3 TYR 86 -9.025 12.566 -6.729 732 HD1 TYR 86 HD2 TYR 86 -6.606 12.168 -7.219 733 HD2 TYR 86 HD1 TYR 86 -9.254 13.977 -10.108 734 HE1 TYR 86 HE2 TYR 86 -4.669 12.772 -8.589 735 HE2 TYR 86 HE1 TYR 86 -7.313 14.653 -11.472 736 HH TYR 86 HH TYR 86 -4.009 13.448 -10.683 737 H GLN 87 HN GLN 87 -12.096 11.154 -8.950 738 HA GLN 87 HA GLN 87 -11.605 10.954 -11.796 739 HB2 GLN 87 HB2 GLN 87 -13.215 9.037 -11.925 740 HB3 GLN 87 HB3 GLN 87 -11.578 8.701 -11.426 741 HG2 GLN 87 HG2 GLN 87 -12.731 8.992 -8.950 742 HG3 GLN 87 HG3 GLN 87 -14.142 8.517 -9.877 743 HE21 GLN 87 HE21 GLN 87 -10.650 7.498 -10.046 744 HE22 GLN 87 HE22 GLN 87 -11.003 5.804 -9.790 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 -17.288 -16.162 4.872 2 HA2 GLY 1 HA1 GLY 1 -16.608 -13.787 6.520 3 HA3 GLY 1 HA2 GLY 1 -16.015 -15.422 6.845 4 H GLU 2 HN GLU 2 -16.227 -13.610 3.644 5 HA GLU 2 HA GLU 2 -13.404 -14.305 3.180 6 HB2 GLU 2 HB2 GLU 2 -15.491 -12.979 1.425 7 HB3 GLU 2 HB3 GLU 2 -13.815 -13.379 0.981 8 HG2 GLU 2 HG2 GLU 2 -14.338 -15.804 1.553 9 HG3 GLU 2 HG3 GLU 2 -16.052 -15.338 1.651 10 H GLU 3 HN GLU 3 -11.937 -12.917 4.026 11 HA GLU 3 HA GLU 3 -12.511 -10.222 4.864 12 HB2 GLU 3 HB2 GLU 3 -10.032 -11.911 4.498 13 HB3 GLU 3 HB3 GLU 3 -9.896 -10.205 4.951 14 HG2 GLU 3 HG2 GLU 3 -10.838 -10.495 7.039 15 HG3 GLU 3 HG3 GLU 3 -11.841 -11.852 6.544 16 H THR 4 HN THR 4 -10.542 -11.511 2.091 17 HA THR 4 HA THR 4 -10.949 -8.951 0.666 18 HB THR 4 HB THR 4 -8.837 -10.149 -0.583 19 HG1 THR 4 HG1 THR 4 -7.640 -11.289 0.687 20 HG21 THR 4 HG21 THR 4 -8.699 -8.455 1.947 21 HG22 THR 4 HG22 THR 4 -8.775 -7.882 0.269 22 HG23 THR 4 HG23 THR 4 -7.350 -8.751 0.804 23 HA PRO 5 HA PRO 5 -12.671 -11.568 -2.626 24 HB2 PRO 5 HB2 PRO 5 -12.403 -10.024 -4.832 25 HB3 PRO 5 HB3 PRO 5 -13.450 -9.524 -3.471 26 HG2 PRO 5 HG2 PRO 5 -10.583 -8.668 -4.020 27 HG3 PRO 5 HG3 PRO 5 -11.999 -7.624 -3.680 28 HD2 PRO 5 HD2 PRO 5 -10.251 -8.402 -1.711 29 HD3 PRO 5 HD3 PRO 5 -11.989 -8.179 -1.399 30 H LEU 6 HN LEU 6 -9.284 -10.950 -2.407 31 HA LEU 6 HA LEU 6 -8.550 -12.257 -4.971 32 HB2 LEU 6 HB2 LEU 6 -6.804 -11.092 -2.786 33 HB3 LEU 6 HB3 LEU 6 -6.238 -11.742 -4.313 34 HG LEU 6 HG LEU 6 -8.005 -9.287 -4.064 35 HD11 LEU 6 HD11 LEU 6 -4.973 -9.523 -4.387 36 HD12 LEU 6 HD12 LEU 6 -5.823 -8.936 -2.948 37 HD13 LEU 6 HD13 LEU 6 -5.897 -8.006 -4.451 38 HD21 LEU 6 HD21 LEU 6 -6.334 -10.254 -6.405 39 HD22 LEU 6 HD22 LEU 6 -7.308 -8.773 -6.337 40 HD23 LEU 6 HD23 LEU 6 -8.108 -10.345 -6.284 41 H VAL 7 HN VAL 7 -9.749 -14.199 -4.050 42 HA VAL 7 HA VAL 7 -8.719 -15.516 -1.755 43 HB VAL 7 HB VAL 7 -10.272 -16.832 -4.015 44 HG11 VAL 7 HG11 VAL 7 -9.531 -18.422 -2.297 45 HG12 VAL 7 HG12 VAL 7 -10.101 -17.328 -1.006 46 HG13 VAL 7 HG13 VAL 7 -11.256 -18.123 -2.088 47 HG21 VAL 7 HG21 VAL 7 -11.525 -14.821 -3.479 48 HG22 VAL 7 HG22 VAL 7 -12.303 -16.162 -2.665 49 HG23 VAL 7 HG23 VAL 7 -11.278 -15.070 -1.730 50 H THR 8 HN THR 8 -7.350 -15.229 -4.803 51 HA THR 8 HA THR 8 -5.193 -17.082 -3.953 52 HB THR 8 HB THR 8 -5.923 -16.132 -6.738 53 HG1 THR 8 HG1 THR 8 -6.786 -18.136 -5.632 54 HG21 THR 8 HG21 THR 8 -3.913 -17.306 -7.536 55 HG22 THR 8 HG22 THR 8 -3.404 -17.580 -5.851 56 HG23 THR 8 HG23 THR 8 -3.515 -15.928 -6.504 57 H ALA 9 HN ALA 9 -4.669 -15.517 -2.403 58 HA ALA 9 HA ALA 9 -2.430 -14.247 -3.250 59 HB1 ALA 9 HB1 ALA 9 -4.562 -12.210 -2.530 60 HB2 ALA 9 HB2 ALA 9 -2.813 -11.872 -2.583 61 HB3 ALA 9 HB3 ALA 9 -3.655 -12.343 -4.063 62 H ARG 10 HN ARG 10 -1.054 -14.409 -1.568 63 HA ARG 10 HA ARG 10 -1.884 -14.360 1.229 64 HB2 ARG 10 HB2 ARG 10 -0.937 -16.963 -0.098 65 HB3 ARG 10 HB3 ARG 10 -1.063 -16.701 1.644 66 HG2 ARG 10 HG2 ARG 10 -3.537 -16.274 1.354 67 HG3 ARG 10 HG3 ARG 10 -3.356 -16.792 -0.334 68 HD2 ARG 10 HD2 ARG 10 -4.166 -18.625 0.993 69 HD3 ARG 10 HD3 ARG 10 -2.537 -18.989 0.400 70 HE ARG 10 HE ARG 10 -2.449 -17.797 3.020 71 HH11 ARG 10 HH11 ARG 10 -3.430 -20.825 1.524 72 HH12 ARG 10 HH12 ARG 10 -2.839 -21.861 2.771 73 HH21 ARG 10 HH21 ARG 10 -1.821 -19.040 4.773 74 HH22 ARG 10 HH22 ARG 10 -2.041 -20.765 4.801 75 H HIS 11 HN HIS 11 0.371 -15.652 2.282 76 HA HIS 11 HA HIS 11 2.438 -15.267 2.939 77 HB2 HIS 11 HB2 HIS 11 2.515 -16.662 0.765 78 HB3 HIS 11 HB3 HIS 11 3.262 -15.243 0.044 79 HD1 HIS 11 HD1 HIS 11 5.560 -14.399 1.594 80 HD2 HIS 11 HD2 HIS 11 4.048 -18.305 2.042 81 HE1 HIS 11 HE1 HIS 11 7.406 -15.785 2.707 82 H MET 12 HN MET 12 1.329 -13.139 3.431 83 HA MET 12 HA MET 12 1.628 -10.780 2.129 84 HB2 MET 12 HB2 MET 12 0.275 -11.568 4.206 85 HB3 MET 12 HB3 MET 12 1.638 -10.986 5.175 86 HG2 MET 12 HG2 MET 12 1.264 -8.739 4.436 87 HG3 MET 12 HG3 MET 12 0.255 -9.297 3.094 88 HE1 MET 12 HE1 MET 12 -2.696 -7.633 4.629 89 HE2 MET 12 HE2 MET 12 -1.080 -7.030 4.187 90 HE3 MET 12 HE3 MET 12 -1.913 -8.213 3.149 91 H SER 13 HN SER 13 3.306 -9.568 1.557 92 HA SER 13 HA SER 13 5.963 -10.156 2.201 93 HB2 SER 13 HB2 SER 13 4.820 -8.851 0.175 94 HB3 SER 13 HB3 SER 13 5.184 -7.437 1.156 95 HG SER 13 HG SER 13 6.873 -9.339 -0.033 96 H LYS 14 HN LYS 14 7.576 -8.409 2.788 97 HA LYS 14 HA LYS 14 7.435 -7.719 5.521 98 HB2 LYS 14 HB2 LYS 14 9.597 -7.845 4.334 99 HB3 LYS 14 HB3 LYS 14 9.141 -6.467 3.318 100 HG2 LYS 14 HG2 LYS 14 10.683 -5.702 4.943 101 HG3 LYS 14 HG3 LYS 14 9.152 -4.952 5.238 102 HD2 LYS 14 HD2 LYS 14 8.648 -6.511 7.050 103 HD3 LYS 14 HD3 LYS 14 10.143 -7.404 6.783 104 HE2 LYS 14 HE2 LYS 14 10.303 -4.422 7.277 105 HE3 LYS 14 HE3 LYS 14 9.835 -5.457 8.622 106 HZ1 LYS 14 HZ1 LYS 14 11.883 -6.763 8.218 107 HZ2 LYS 14 HZ2 LYS 14 12.150 -5.238 8.713 108 HZ3 LYS 14 HZ3 LYS 14 12.397 -5.668 7.137 109 H TRP 15 HN TRP 15 6.712 -5.689 2.666 110 HA TRP 15 HA TRP 15 5.978 -3.502 4.509 111 HB2 TRP 15 HB2 TRP 15 6.361 -3.463 1.506 112 HB3 TRP 15 HB3 TRP 15 6.050 -2.075 2.530 113 HD1 TRP 15 HD1 TRP 15 8.848 -3.957 1.076 114 HE1 TRP 15 HE1 TRP 15 11.100 -3.147 2.002 115 HE3 TRP 15 HE3 TRP 15 7.171 -1.250 5.111 116 HZ2 TRP 15 HZ2 TRP 15 11.988 -1.361 4.130 117 HZ3 TRP 15 HZ3 TRP 15 8.759 -0.191 6.653 118 HH2 TRP 15 HH2 TRP 15 11.180 -0.175 6.114 119 H GLU 16 HN GLU 16 4.272 -6.092 3.311 120 HA GLU 16 HA GLU 16 2.124 -4.792 1.884 121 HB2 GLU 16 HB2 GLU 16 2.689 -7.546 2.900 122 HB3 GLU 16 HB3 GLU 16 1.021 -7.084 2.906 123 HG2 GLU 16 HG2 GLU 16 1.553 -6.297 0.409 124 HG3 GLU 16 HG3 GLU 16 2.800 -7.553 0.573 125 H GLU 17 HN GLU 17 2.562 -5.745 5.342 126 HA GLU 17 HA GLU 17 -0.250 -5.131 5.893 127 HB2 GLU 17 HB2 GLU 17 2.103 -5.587 7.781 128 HB3 GLU 17 HB3 GLU 17 0.453 -5.225 8.276 129 HG2 GLU 17 HG2 GLU 17 -0.330 -7.259 7.049 130 HG3 GLU 17 HG3 GLU 17 1.360 -7.664 6.683 131 H ILE 18 HN ILE 18 2.882 -3.469 6.078 132 HA ILE 18 HA ILE 18 2.034 -1.168 7.523 133 HB ILE 18 HB ILE 18 4.218 -1.543 5.487 134 HG12 ILE 18 HG12 ILE 18 4.412 -1.089 8.514 135 HG13 ILE 18 HG13 ILE 18 4.108 -2.694 7.910 136 HG21 ILE 18 HG21 ILE 18 5.175 0.572 6.361 137 HG22 ILE 18 HG22 ILE 18 3.652 0.856 5.526 138 HG23 ILE 18 HG23 ILE 18 3.696 0.864 7.298 139 HD11 ILE 18 HD11 ILE 18 6.573 -1.037 7.316 140 HD12 ILE 18 HD12 ILE 18 6.466 -2.478 8.339 141 HD13 ILE 18 HD13 ILE 18 6.211 -2.642 6.604 142 H ALA 19 HN ALA 19 1.982 -1.849 3.990 143 HA ALA 19 HA ALA 19 0.828 0.613 3.256 144 HB1 ALA 19 HB1 ALA 19 0.129 -0.585 1.202 145 HB2 ALA 19 HB2 ALA 19 1.794 -0.992 1.647 146 HB3 ALA 19 HB3 ALA 19 0.472 -2.139 1.977 147 H VAL 20 HN VAL 20 -0.645 -2.223 4.796 148 HA VAL 20 HA VAL 20 -3.354 -1.474 3.945 149 HB VAL 20 HB VAL 20 -2.206 -3.779 5.571 150 HG11 VAL 20 HG11 VAL 20 -4.510 -4.812 5.359 151 HG12 VAL 20 HG12 VAL 20 -4.399 -3.449 6.466 152 HG13 VAL 20 HG13 VAL 20 -5.114 -3.218 4.851 153 HG21 VAL 20 HG21 VAL 20 -3.717 -4.055 2.969 154 HG22 VAL 20 HG22 VAL 20 -1.985 -3.689 2.958 155 HG23 VAL 20 HG23 VAL 20 -2.577 -5.165 3.730 156 H LYS 21 HN LYS 21 -1.335 -1.563 7.021 157 HA LYS 21 HA LYS 21 -3.498 -0.698 8.654 158 HB2 LYS 21 HB2 LYS 21 -1.811 -0.221 10.354 159 HB3 LYS 21 HB3 LYS 21 -1.652 -1.839 9.639 160 HG2 LYS 21 HG2 LYS 21 0.010 -0.848 8.063 161 HG3 LYS 21 HG3 LYS 21 0.012 0.608 8.976 162 HD2 LYS 21 HD2 LYS 21 1.878 -0.577 9.709 163 HD3 LYS 21 HD3 LYS 21 0.673 -0.825 10.990 164 HE2 LYS 21 HE2 LYS 21 0.216 -3.097 10.052 165 HE3 LYS 21 HE3 LYS 21 1.420 -2.815 8.800 166 HZ1 LYS 21 HZ1 LYS 21 2.010 -2.894 11.699 167 HZ2 LYS 21 HZ2 LYS 21 3.146 -2.769 10.503 168 HZ3 LYS 21 HZ3 LYS 21 2.253 -4.132 10.675 169 H GLU 22 HN GLU 22 -1.056 1.033 6.677 170 HA GLU 22 HA GLU 22 -1.841 3.661 7.467 171 HB2 GLU 22 HB2 GLU 22 -0.605 2.582 4.924 172 HB3 GLU 22 HB3 GLU 22 -0.965 4.284 5.261 173 HG2 GLU 22 HG2 GLU 22 0.683 2.816 7.258 174 HG3 GLU 22 HG3 GLU 22 1.445 3.258 5.754 175 H ALA 23 HN ALA 23 -2.804 1.726 4.528 176 HA ALA 23 HA ALA 23 -4.763 3.535 3.695 177 HB1 ALA 23 HB1 ALA 23 -3.707 1.849 2.277 178 HB2 ALA 23 HB2 ALA 23 -4.547 0.564 3.197 179 HB3 ALA 23 HB3 ALA 23 -5.480 1.723 2.205 180 H LYS 24 HN LYS 24 -5.085 1.534 6.453 181 HA LYS 24 HA LYS 24 -8.048 2.005 6.354 182 HB2 LYS 24 HB2 LYS 24 -8.507 0.375 7.814 183 HB3 LYS 24 HB3 LYS 24 -7.307 -0.320 6.729 184 HG2 LYS 24 HG2 LYS 24 -5.557 0.191 8.507 185 HG3 LYS 24 HG3 LYS 24 -6.918 0.692 9.519 186 HD2 LYS 24 HD2 LYS 24 -6.569 -1.504 10.237 187 HD3 LYS 24 HD3 LYS 24 -7.862 -1.715 9.047 188 HE2 LYS 24 HE2 LYS 24 -6.063 -2.239 7.327 189 HE3 LYS 24 HE3 LYS 24 -4.871 -2.149 8.630 190 HZ1 LYS 24 HZ1 LYS 24 -5.336 -4.404 8.530 191 HZ2 LYS 24 HZ2 LYS 24 -6.886 -4.173 8.119 192 HZ3 LYS 24 HZ3 LYS 24 -6.378 -3.953 9.700 193 H LYS 25 HN LYS 25 -5.048 2.840 8.215 194 HA LYS 25 HA LYS 25 -6.557 4.117 10.333 195 HB2 LYS 25 HB2 LYS 25 -4.547 4.918 11.225 196 HB3 LYS 25 HB3 LYS 25 -4.211 3.318 10.607 197 HG2 LYS 25 HG2 LYS 25 -3.308 4.697 8.533 198 HG3 LYS 25 HG3 LYS 25 -3.228 6.020 9.668 199 HD2 LYS 25 HD2 LYS 25 -1.898 3.290 10.016 200 HD3 LYS 25 HD3 LYS 25 -1.093 4.713 9.388 201 HE2 LYS 25 HE2 LYS 25 -2.298 4.601 12.170 202 HE3 LYS 25 HE3 LYS 25 -0.643 4.090 11.802 203 HZ1 LYS 25 HZ1 LYS 25 -0.243 6.360 10.951 204 HZ2 LYS 25 HZ2 LYS 25 -0.650 6.336 12.555 205 HZ3 LYS 25 HZ3 LYS 25 -1.752 6.792 11.458 206 H ARG 26 HN ARG 26 -5.083 5.258 7.338 207 HA ARG 26 HA ARG 26 -5.513 8.045 7.763 208 HB2 ARG 26 HB2 ARG 26 -3.956 6.734 6.108 209 HB3 ARG 26 HB3 ARG 26 -5.368 6.651 5.080 210 HG2 ARG 26 HG2 ARG 26 -4.391 8.545 4.249 211 HG3 ARG 26 HG3 ARG 26 -5.407 9.310 5.451 212 HD2 ARG 26 HD2 ARG 26 -3.458 9.260 7.050 213 HD3 ARG 26 HD3 ARG 26 -2.470 8.560 5.746 214 HE ARG 26 HE ARG 26 -3.850 10.981 4.953 215 HH11 ARG 26 HH11 ARG 26 -0.780 9.792 6.412 216 HH12 ARG 26 HH12 ARG 26 -0.043 11.373 6.255 217 HH21 ARG 26 HH21 ARG 26 -2.797 12.866 4.630 218 HH22 ARG 26 HH22 ARG 26 -1.096 13.049 4.935 219 H TYR 27 HN TYR 27 -8.009 5.751 7.426 220 HA TYR 27 HA TYR 27 -9.665 7.452 5.648 221 HB2 TYR 27 HB2 TYR 27 -8.947 4.558 5.269 222 HB3 TYR 27 HB3 TYR 27 -10.351 5.321 4.524 223 HD1 TYR 27 HD2 TYR 27 -10.000 7.426 3.058 224 HD2 TYR 27 HD1 TYR 27 -6.802 4.795 4.234 225 HE1 TYR 27 HE2 TYR 27 -8.574 8.370 1.287 226 HE2 TYR 27 HE1 TYR 27 -5.397 5.642 2.384 227 HH TYR 27 HH TYR 27 -5.379 7.128 0.380 228 HA PRO 28 HA PRO 28 -11.877 6.072 9.441 229 HB2 PRO 28 HB2 PRO 28 -12.716 8.545 10.270 230 HB3 PRO 28 HB3 PRO 28 -11.035 7.966 10.495 231 HG2 PRO 28 HG2 PRO 28 -12.120 9.845 8.387 232 HG3 PRO 28 HG3 PRO 28 -10.550 9.909 9.265 233 HD2 PRO 28 HD2 PRO 28 -10.848 8.937 6.751 234 HD3 PRO 28 HD3 PRO 28 -9.534 8.525 7.903 235 H LEU 29 HN LEU 29 -12.939 7.629 6.543 236 HA LEU 29 HA LEU 29 -15.818 7.336 7.246 237 HB2 LEU 29 HB2 LEU 29 -14.306 9.130 5.352 238 HB3 LEU 29 HB3 LEU 29 -15.934 8.629 4.931 239 HG LEU 29 HG LEU 29 -16.689 9.365 7.256 240 HD11 LEU 29 HD11 LEU 29 -14.580 9.519 8.413 241 HD12 LEU 29 HD12 LEU 29 -15.299 11.131 8.332 242 HD13 LEU 29 HD13 LEU 29 -13.972 10.704 7.233 243 HD21 LEU 29 HD21 LEU 29 -17.138 10.605 5.163 244 HD22 LEU 29 HD22 LEU 29 -15.639 11.520 5.404 245 HD23 LEU 29 HD23 LEU 29 -16.975 11.640 6.579 246 H ALA 30 HN ALA 30 -13.468 5.507 5.933 247 HA ALA 30 HA ALA 30 -15.294 4.101 4.103 248 HB1 ALA 30 HB1 ALA 30 -13.582 4.097 2.339 249 HB2 ALA 30 HB2 ALA 30 -13.984 5.765 2.761 250 HB3 ALA 30 HB3 ALA 30 -12.483 5.052 3.358 251 H GLN 31 HN GLN 31 -14.159 2.009 3.405 252 HA GLN 31 HA GLN 31 -12.515 0.869 5.646 253 HB2 GLN 31 HB2 GLN 31 -14.774 -0.533 4.125 254 HB3 GLN 31 HB3 GLN 31 -13.751 -1.216 5.384 255 HG2 GLN 31 HG2 GLN 31 -15.232 -0.538 6.928 256 HG3 GLN 31 HG3 GLN 31 -14.667 1.087 6.560 257 HE21 GLN 31 HE21 GLN 31 -16.025 1.201 3.841 258 HE22 GLN 31 HE22 GLN 31 -17.667 1.564 4.316 259 H VAL 32 HN VAL 32 -10.856 -0.575 4.942 260 HA VAL 32 HA VAL 32 -10.414 -0.432 2.009 261 HB VAL 32 HB VAL 32 -8.655 0.398 3.598 262 HG11 VAL 32 HG11 VAL 32 -6.988 -1.125 4.432 263 HG12 VAL 32 HG12 VAL 32 -8.550 -1.602 5.130 264 HG13 VAL 32 HG13 VAL 32 -7.855 -2.520 3.765 265 HG21 VAL 32 HG21 VAL 32 -7.826 -1.685 1.529 266 HG22 VAL 32 HG22 VAL 32 -8.365 -0.037 1.151 267 HG23 VAL 32 HG23 VAL 32 -6.888 -0.278 2.090 268 H LEU 33 HN LEU 33 -10.976 -2.241 0.861 269 HA LEU 33 HA LEU 33 -10.887 -4.954 2.103 270 HB2 LEU 33 HB2 LEU 33 -12.662 -5.353 0.205 271 HB3 LEU 33 HB3 LEU 33 -13.099 -4.733 1.708 272 HG LEU 33 HG LEU 33 -14.346 -3.762 0.115 273 HD11 LEU 33 HD11 LEU 33 -13.264 -2.394 2.328 274 HD12 LEU 33 HD12 LEU 33 -14.703 -2.022 1.429 275 HD13 LEU 33 HD13 LEU 33 -13.169 -1.268 0.947 276 HD21 LEU 33 HD21 LEU 33 -12.729 -3.928 -1.449 277 HD22 LEU 33 HD22 LEU 33 -11.810 -2.559 -0.780 278 HD23 LEU 33 HD23 LEU 33 -13.448 -2.282 -1.486 279 H PHE 34 HN PHE 34 -9.371 -3.070 -0.023 280 HA PHE 34 HA PHE 34 -8.730 -5.311 -1.895 281 HB2 PHE 34 HB2 PHE 34 -9.639 -2.677 -2.367 282 HB3 PHE 34 HB3 PHE 34 -8.082 -2.897 -3.170 283 HD1 PHE 34 HD2 PHE 34 -7.760 -5.065 -4.584 284 HD2 PHE 34 HD1 PHE 34 -11.614 -3.500 -3.408 285 HE1 PHE 34 HE2 PHE 34 -8.855 -6.442 -6.326 286 HE2 PHE 34 HE1 PHE 34 -12.698 -4.856 -5.162 287 HZ PHE 34 HZ PHE 34 -11.323 -6.336 -6.613 288 H LYS 35 HN LYS 35 -6.648 -5.957 -2.261 289 HA LYS 35 HA LYS 35 -4.395 -4.315 -1.153 290 HB2 LYS 35 HB2 LYS 35 -4.785 -7.307 -0.794 291 HB3 LYS 35 HB3 LYS 35 -3.476 -6.321 -0.137 292 HG2 LYS 35 HG2 LYS 35 -5.105 -5.169 1.351 293 HG3 LYS 35 HG3 LYS 35 -6.415 -6.140 0.658 294 HD2 LYS 35 HD2 LYS 35 -5.130 -8.216 1.361 295 HD3 LYS 35 HD3 LYS 35 -4.071 -7.153 2.305 296 HE2 LYS 35 HE2 LYS 35 -5.979 -6.371 3.632 297 HE3 LYS 35 HE3 LYS 35 -7.111 -7.191 2.567 298 HZ1 LYS 35 HZ1 LYS 35 -6.111 -9.340 3.349 299 HZ2 LYS 35 HZ2 LYS 35 -6.828 -8.449 4.539 300 HZ3 LYS 35 HZ3 LYS 35 -5.214 -8.470 4.421 301 H GLN 36 HN GLN 36 -4.262 -3.815 -3.643 302 HA GLN 36 HA GLN 36 -3.620 -6.081 -5.382 303 HB2 GLN 36 HB2 GLN 36 -4.930 -3.656 -5.831 304 HB3 GLN 36 HB3 GLN 36 -3.315 -3.278 -6.344 305 HG2 GLN 36 HG2 GLN 36 -4.152 -4.055 -8.332 306 HG3 GLN 36 HG3 GLN 36 -3.482 -5.552 -7.709 307 HE21 GLN 36 HE21 GLN 36 -5.064 -6.643 -9.202 308 HE22 GLN 36 HE22 GLN 36 -6.730 -6.803 -8.660 309 H LYS 37 HN LYS 37 -1.579 -5.863 -6.715 310 HA LYS 37 HA LYS 37 0.688 -4.879 -5.085 311 HB2 LYS 37 HB2 LYS 37 0.416 -6.471 -7.653 312 HB3 LYS 37 HB3 LYS 37 1.928 -5.609 -7.357 313 HG2 LYS 37 HG2 LYS 37 2.401 -6.814 -5.353 314 HG3 LYS 37 HG3 LYS 37 0.764 -7.465 -5.265 315 HD2 LYS 37 HD2 LYS 37 1.977 -9.269 -6.065 316 HD3 LYS 37 HD3 LYS 37 1.247 -8.621 -7.522 317 HE2 LYS 37 HE2 LYS 37 3.794 -7.307 -7.189 318 HE3 LYS 37 HE3 LYS 37 4.039 -9.011 -6.794 319 HZ1 LYS 37 HZ1 LYS 37 3.110 -7.893 -9.364 320 HZ2 LYS 37 HZ2 LYS 37 2.863 -9.456 -9.002 321 HZ3 LYS 37 HZ3 LYS 37 4.391 -8.900 -9.057 322 H VAL 38 HN VAL 38 2.331 -3.562 -6.326 323 HA VAL 38 HA VAL 38 1.273 -1.889 -8.410 324 HB VAL 38 HB VAL 38 0.950 -0.735 -6.140 325 HG11 VAL 38 HG11 VAL 38 2.684 0.267 -4.996 326 HG12 VAL 38 HG12 VAL 38 3.357 -1.338 -5.382 327 HG13 VAL 38 HG13 VAL 38 3.842 0.076 -6.319 328 HG21 VAL 38 HG21 VAL 38 1.474 1.465 -6.978 329 HG22 VAL 38 HG22 VAL 38 2.502 0.798 -8.247 330 HG23 VAL 38 HG23 VAL 38 0.753 0.464 -8.252 331 H TRP 39 HN TRP 39 3.430 -0.576 -9.161 332 HA TRP 39 HA TRP 39 5.438 -2.405 -10.024 333 HB2 TRP 39 HB2 TRP 39 4.922 -0.305 -11.139 334 HB3 TRP 39 HB3 TRP 39 5.297 0.610 -9.696 335 HD1 TRP 39 HD1 TRP 39 7.083 -1.339 -12.487 336 HE1 TRP 39 HE1 TRP 39 9.283 -0.128 -12.983 337 HE3 TRP 39 HE3 TRP 39 7.205 1.828 -8.460 338 HZ2 TRP 39 HZ2 TRP 39 10.753 2.125 -11.942 339 HZ3 TRP 39 HZ3 TRP 39 9.011 3.504 -8.255 340 HH2 TRP 39 HH2 TRP 39 10.760 3.702 -10.009 341 H ASP 40 HN ASP 40 7.722 -2.439 -9.333 342 HA ASP 40 HA ASP 40 8.397 -1.032 -6.940 343 HB2 ASP 40 HB2 ASP 40 9.125 -2.728 -5.590 344 HB3 ASP 40 HB3 ASP 40 7.434 -3.102 -5.924 345 H ARG 41 HN ARG 41 10.703 -1.080 -6.499 346 HA ARG 41 HA ARG 41 12.440 -1.892 -8.701 347 HB2 ARG 41 HB2 ARG 41 10.908 0.184 -9.319 348 HB3 ARG 41 HB3 ARG 41 11.958 1.096 -8.265 349 HG2 ARG 41 HG2 ARG 41 13.476 -0.554 -10.192 350 HG3 ARG 41 HG3 ARG 41 12.269 0.445 -10.996 351 HD2 ARG 41 HD2 ARG 41 13.131 2.459 -9.918 352 HD3 ARG 41 HD3 ARG 41 14.369 1.516 -9.087 353 HE ARG 41 HE ARG 41 14.326 2.464 -11.837 354 HH11 ARG 41 HH11 ARG 41 16.011 0.082 -9.819 355 HH12 ARG 41 HH12 ARG 41 16.752 -0.734 -11.117 356 HH21 ARG 41 HH21 ARG 41 15.482 1.521 -13.574 357 HH22 ARG 41 HH22 ARG 41 16.696 0.332 -13.254 358 H LYS 42 HN LYS 42 14.697 -0.789 -8.332 359 HA LYS 42 HA LYS 42 15.091 0.108 -5.553 360 HB2 LYS 42 HB2 LYS 42 16.020 -2.415 -6.682 361 HB3 LYS 42 HB3 LYS 42 17.417 -1.407 -6.368 362 HG2 LYS 42 HG2 LYS 42 16.783 -1.109 -4.049 363 HG3 LYS 42 HG3 LYS 42 15.263 -2.025 -4.305 364 HD2 LYS 42 HD2 LYS 42 16.617 -4.014 -4.999 365 HD3 LYS 42 HD3 LYS 42 18.098 -3.087 -4.693 366 HE2 LYS 42 HE2 LYS 42 17.401 -2.858 -2.305 367 HE3 LYS 42 HE3 LYS 42 16.007 -3.905 -2.621 368 HZ1 LYS 42 HZ1 LYS 42 17.516 -5.651 -3.216 369 HZ2 LYS 42 HZ2 LYS 42 18.009 -5.065 -1.742 370 HZ3 LYS 42 HZ3 LYS 42 18.821 -4.625 -3.083 371 H ARG 43 HN ARG 43 17.182 1.117 -5.190 372 HA ARG 43 HA ARG 43 18.421 2.351 -7.530 373 HB2 ARG 43 HB2 ARG 43 17.514 4.019 -5.156 374 HB3 ARG 43 HB3 ARG 43 18.266 4.606 -6.639 375 HG2 ARG 43 HG2 ARG 43 15.486 3.415 -6.375 376 HG3 ARG 43 HG3 ARG 43 15.873 5.121 -6.519 377 HD2 ARG 43 HD2 ARG 43 16.747 3.244 -8.723 378 HD3 ARG 43 HD3 ARG 43 15.059 3.698 -8.614 379 HE ARG 43 HE ARG 43 17.338 5.340 -9.375 380 HH11 ARG 43 HH11 ARG 43 13.884 5.408 -8.549 381 HH12 ARG 43 HH12 ARG 43 13.853 7.106 -8.724 382 HH21 ARG 43 HH21 ARG 43 17.053 7.362 -10.129 383 HH22 ARG 43 HH22 ARG 43 15.567 8.218 -10.036 384 H LYS 44 HN LYS 44 20.388 3.715 -6.549 385 HA LYS 44 HA LYS 44 22.135 1.796 -5.590 386 HB2 LYS 44 HB2 LYS 44 22.255 4.692 -6.136 387 HB3 LYS 44 HB3 LYS 44 23.283 4.240 -4.789 388 HG2 LYS 44 HG2 LYS 44 24.585 4.088 -6.776 389 HG3 LYS 44 HG3 LYS 44 24.332 2.448 -6.174 390 HD2 LYS 44 HD2 LYS 44 22.516 2.157 -7.885 391 HD3 LYS 44 HD3 LYS 44 22.879 3.774 -8.507 392 HE2 LYS 44 HE2 LYS 44 24.807 1.393 -8.406 393 HE3 LYS 44 HE3 LYS 44 23.937 1.965 -9.832 394 HZ1 LYS 44 HZ1 LYS 44 25.150 4.145 -9.428 395 HZ2 LYS 44 HZ2 LYS 44 26.042 2.850 -9.990 396 HZ3 LYS 44 HZ3 LYS 44 26.144 3.321 -8.441 397 H ASP 45 HN ASP 45 20.808 4.419 -3.460 398 HA ASP 45 HA ASP 45 21.212 2.505 -1.209 399 HB2 ASP 45 HB2 ASP 45 21.611 5.502 -1.189 400 HB3 ASP 45 HB3 ASP 45 21.700 4.443 0.209 401 H GLU 46 HN GLU 46 18.775 2.708 -2.842 402 HA GLU 46 HA GLU 46 16.902 3.330 -0.728 403 HB2 GLU 46 HB2 GLU 46 17.407 5.255 -2.853 404 HB3 GLU 46 HB3 GLU 46 15.765 4.639 -3.011 405 HG2 GLU 46 HG2 GLU 46 15.059 5.527 -1.009 406 HG3 GLU 46 HG3 GLU 46 16.648 5.436 -0.245 407 H ALA 47 HN ALA 47 14.709 2.514 -1.228 408 HA ALA 47 HA ALA 47 14.405 0.807 -3.601 409 HB1 ALA 47 HB1 ALA 47 14.372 -0.197 -0.740 410 HB2 ALA 47 HB2 ALA 47 13.861 -1.138 -2.170 411 HB3 ALA 47 HB3 ALA 47 15.554 -0.642 -1.973 412 H VAL 48 HN VAL 48 12.209 0.246 -3.993 413 HA VAL 48 HA VAL 48 10.199 1.754 -2.452 414 HB VAL 48 HB VAL 48 10.802 1.990 -5.458 415 HG11 VAL 48 HG11 VAL 48 8.361 2.137 -5.019 416 HG12 VAL 48 HG12 VAL 48 8.661 3.456 -3.865 417 HG13 VAL 48 HG13 VAL 48 9.027 3.670 -5.588 418 HG21 VAL 48 HG21 VAL 48 12.400 3.372 -4.237 419 HG22 VAL 48 HG22 VAL 48 11.197 4.420 -4.977 420 HG23 VAL 48 HG23 VAL 48 11.104 4.062 -3.238 421 H LYS 49 HN LYS 49 8.641 0.446 -1.975 422 HA LYS 49 HA LYS 49 7.630 -1.629 -3.742 423 HB2 LYS 49 HB2 LYS 49 9.063 -2.263 -1.113 424 HB3 LYS 49 HB3 LYS 49 7.757 -3.270 -1.740 425 HG2 LYS 49 HG2 LYS 49 8.958 -3.666 -3.801 426 HG3 LYS 49 HG3 LYS 49 10.303 -2.627 -3.281 427 HD2 LYS 49 HD2 LYS 49 10.926 -4.889 -2.978 428 HD3 LYS 49 HD3 LYS 49 10.673 -4.139 -1.394 429 HE2 LYS 49 HE2 LYS 49 9.754 -6.510 -1.632 430 HE3 LYS 49 HE3 LYS 49 8.593 -5.312 -1.066 431 HZ1 LYS 49 HZ1 LYS 49 7.743 -6.851 -2.773 432 HZ2 LYS 49 HZ2 LYS 49 8.725 -6.172 -3.889 433 HZ3 LYS 49 HZ3 LYS 49 7.536 -5.284 -3.171 434 H GLN 50 HN GLN 50 5.563 -0.848 -3.631 435 HA GLN 50 HA GLN 50 4.375 -0.806 -0.917 436 HB2 GLN 50 HB2 GLN 50 3.633 1.182 -3.109 437 HB3 GLN 50 HB3 GLN 50 2.888 1.009 -1.518 438 HG2 GLN 50 HG2 GLN 50 4.245 2.684 -0.945 439 HG3 GLN 50 HG3 GLN 50 5.399 1.393 -0.692 440 HE21 GLN 50 HE21 GLN 50 4.375 3.981 -2.907 441 HE22 GLN 50 HE22 GLN 50 5.895 4.064 -3.784 442 H TYR 51 HN TYR 51 1.821 -0.475 -1.755 443 HA TYR 51 HA TYR 51 1.051 -2.527 -3.635 444 HB2 TYR 51 HB2 TYR 51 0.248 -2.431 -0.684 445 HB3 TYR 51 HB3 TYR 51 -0.488 -3.485 -1.879 446 HD1 TYR 51 HD1 TYR 51 2.473 -2.900 0.214 447 HD2 TYR 51 HD2 TYR 51 0.841 -5.314 -2.941 448 HE1 TYR 51 HE1 TYR 51 4.516 -4.316 0.260 449 HE2 TYR 51 HE2 TYR 51 2.880 -6.730 -2.934 450 HH TYR 51 HH TYR 51 4.955 -7.065 -2.011 451 H HIS 52 HN HIS 52 -1.337 -2.045 -4.087 452 HA HIS 52 HA HIS 52 -2.062 0.790 -3.545 453 HB2 HIS 52 HB2 HIS 52 -1.320 0.661 -5.861 454 HB3 HIS 52 HB3 HIS 52 -2.257 -0.813 -6.125 455 HD1 HIS 52 HD1 HIS 52 -2.869 3.022 -5.709 456 HD2 HIS 52 HD2 HIS 52 -4.776 -0.594 -6.742 457 HE1 HIS 52 HE1 HIS 52 -5.084 3.666 -6.671 458 H LEU 53 HN LEU 53 -4.288 0.985 -2.999 459 HA LEU 53 HA LEU 53 -5.673 -1.590 -2.481 460 HB2 LEU 53 HB2 LEU 53 -5.148 0.639 -0.452 461 HB3 LEU 53 HB3 LEU 53 -6.229 -0.722 -0.235 462 HG LEU 53 HG LEU 53 -3.978 -2.104 -0.906 463 HD11 LEU 53 HD11 LEU 53 -2.006 -1.222 0.141 464 HD12 LEU 53 HD12 LEU 53 -2.886 0.170 0.796 465 HD13 LEU 53 HD13 LEU 53 -2.586 0.046 -0.953 466 HD21 LEU 53 HD21 LEU 53 -4.576 -1.131 1.909 467 HD22 LEU 53 HD22 LEU 53 -3.535 -2.495 1.450 468 HD23 LEU 53 HD23 LEU 53 -5.269 -2.559 1.146 469 H THR 54 HN THR 54 -8.089 -1.022 -1.813 470 HA THR 54 HA THR 54 -8.983 1.452 -3.144 471 HB THR 54 HB THR 54 -10.241 -1.267 -3.629 472 HG1 THR 54 HG1 THR 54 -8.384 -0.797 -4.873 473 HG21 THR 54 HG21 THR 54 -11.803 -0.192 -5.094 474 HG22 THR 54 HG22 THR 54 -11.135 1.401 -4.705 475 HG23 THR 54 HG23 THR 54 -11.973 0.448 -3.462 476 H LEU 55 HN LEU 55 -10.155 2.537 -1.827 477 HA LEU 55 HA LEU 55 -11.148 1.337 0.718 478 HB2 LEU 55 HB2 LEU 55 -10.675 4.128 -0.322 479 HB3 LEU 55 HB3 LEU 55 -11.931 3.916 0.867 480 HG LEU 55 HG LEU 55 -9.961 4.590 1.959 481 HD11 LEU 55 HD11 LEU 55 -9.666 3.002 3.675 482 HD12 LEU 55 HD12 LEU 55 -10.253 1.727 2.631 483 HD13 LEU 55 HD13 LEU 55 -11.367 3.007 3.165 484 HD21 LEU 55 HD21 LEU 55 -7.866 3.393 1.952 485 HD22 LEU 55 HD22 LEU 55 -8.398 3.810 0.312 486 HD23 LEU 55 HD23 LEU 55 -8.549 2.146 0.884 487 H ARG 56 HN ARG 56 -13.376 1.728 1.348 488 HA ARG 56 HA ARG 56 -15.278 2.138 -0.917 489 HB2 ARG 56 HB2 ARG 56 -14.913 -0.224 -0.357 490 HB3 ARG 56 HB3 ARG 56 -15.342 0.088 1.339 491 HG2 ARG 56 HG2 ARG 56 -17.614 0.421 0.828 492 HG3 ARG 56 HG3 ARG 56 -17.269 0.732 -0.873 493 HD2 ARG 56 HD2 ARG 56 -16.719 -1.577 -1.304 494 HD3 ARG 56 HD3 ARG 56 -16.788 -1.977 0.405 495 HE ARG 56 HE ARG 56 -19.276 -0.975 -0.094 496 HH11 ARG 56 HH11 ARG 56 -17.444 -3.573 -1.789 497 HH12 ARG 56 HH12 ARG 56 -18.829 -4.532 -2.049 498 HH21 ARG 56 HH21 ARG 56 -21.041 -2.088 -0.599 499 HH22 ARG 56 HH22 ARG 56 -21.017 -3.564 -1.511 500 H GLU 57 HN GLU 57 -16.252 4.074 -0.415 501 HA GLU 57 HA GLU 57 -16.932 4.734 2.427 502 HB2 GLU 57 HB2 GLU 57 -15.531 6.526 1.458 503 HB3 GLU 57 HB3 GLU 57 -16.579 6.595 0.037 504 HG2 GLU 57 HG2 GLU 57 -18.486 7.134 1.697 505 HG3 GLU 57 HG3 GLU 57 -17.242 7.396 2.898 506 H GLY 58 HN GLY 58 -18.943 3.772 2.588 507 HA2 GLY 58 HA1 GLY 58 -21.150 3.470 2.291 508 HA3 GLY 58 HA2 GLY 58 -21.141 5.007 1.437 509 H SER 59 HN SER 59 -21.483 5.008 -0.667 510 HA SER 59 HA SER 59 -21.748 2.463 -2.206 511 HB2 SER 59 HB2 SER 59 -23.000 5.096 -2.957 512 HB3 SER 59 HB3 SER 59 -23.416 3.470 -3.485 513 HG SER 59 HG SER 59 -24.063 4.829 -1.137 514 H LYS 60 HN LYS 60 -19.312 4.569 -1.849 515 HA LYS 60 HA LYS 60 -18.609 4.473 -4.739 516 HB2 LYS 60 HB2 LYS 60 -18.790 6.808 -3.975 517 HB3 LYS 60 HB3 LYS 60 -17.683 6.493 -2.640 518 HG2 LYS 60 HG2 LYS 60 -15.912 6.424 -4.035 519 HG3 LYS 60 HG3 LYS 60 -16.807 5.891 -5.459 520 HD2 LYS 60 HD2 LYS 60 -15.965 8.110 -5.802 521 HD3 LYS 60 HD3 LYS 60 -17.727 8.152 -5.724 522 HE2 LYS 60 HE2 LYS 60 -17.677 9.110 -3.478 523 HE3 LYS 60 HE3 LYS 60 -15.932 8.839 -3.366 524 HZ1 LYS 60 HZ1 LYS 60 -17.199 10.683 -5.303 525 HZ2 LYS 60 HZ2 LYS 60 -15.587 10.389 -5.117 526 HZ3 LYS 60 HZ3 LYS 60 -16.420 11.110 -3.913 527 H GLU 61 HN GLU 61 -16.449 3.880 -5.162 528 HA GLU 61 HA GLU 61 -14.804 2.807 -3.036 529 HB2 GLU 61 HB2 GLU 61 -15.858 1.246 -5.413 530 HB3 GLU 61 HB3 GLU 61 -14.215 0.935 -4.828 531 HG2 GLU 61 HG2 GLU 61 -14.945 0.267 -2.676 532 HG3 GLU 61 HG3 GLU 61 -16.543 0.961 -2.918 533 H PHE 62 HN PHE 62 -12.701 3.330 -3.451 534 HA PHE 62 HA PHE 62 -11.985 4.679 -5.987 535 HB2 PHE 62 HB2 PHE 62 -11.119 6.632 -4.684 536 HB3 PHE 62 HB3 PHE 62 -12.867 6.514 -4.770 537 HD1 PHE 62 HD1 PHE 62 -14.189 5.745 -2.772 538 HD2 PHE 62 HD2 PHE 62 -9.985 6.640 -2.518 539 HE1 PHE 62 HE1 PHE 62 -14.411 6.058 -0.347 540 HE2 PHE 62 HE2 PHE 62 -10.208 6.957 -0.066 541 HZ PHE 62 HZ PHE 62 -12.423 6.704 1.029 542 H GLY 63 HN GLY 63 -9.855 4.416 -6.475 543 HA2 GLY 63 HA1 GLY 63 -8.328 2.479 -4.937 544 HA3 GLY 63 HA2 GLY 63 -7.876 3.237 -6.451 545 H VAL 64 HN VAL 64 -6.612 2.918 -3.631 546 HA VAL 64 HA VAL 64 -5.535 5.697 -3.513 547 HB VAL 64 HB VAL 64 -5.322 5.501 -1.139 548 HG11 VAL 64 HG11 VAL 64 -7.661 5.820 -0.578 549 HG12 VAL 64 HG12 VAL 64 -7.413 6.413 -2.222 550 HG13 VAL 64 HG13 VAL 64 -8.191 4.853 -1.963 551 HG21 VAL 64 HG21 VAL 64 -6.245 3.779 0.181 552 HG22 VAL 64 HG22 VAL 64 -6.942 2.947 -1.244 553 HG23 VAL 64 HG23 VAL 64 -5.197 2.964 -0.962 554 H PHE 65 HN PHE 65 -3.462 5.860 -3.954 555 HA PHE 65 HA PHE 65 -1.707 3.469 -3.797 556 HB2 PHE 65 HB2 PHE 65 -1.036 6.322 -4.570 557 HB3 PHE 65 HB3 PHE 65 0.115 5.010 -4.507 558 HD1 PHE 65 HD1 PHE 65 -0.061 3.068 -6.095 559 HD2 PHE 65 HD2 PHE 65 -2.601 6.531 -6.335 560 HE1 PHE 65 HE1 PHE 65 -0.664 2.466 -8.444 561 HE2 PHE 65 HE2 PHE 65 -3.298 5.872 -8.645 562 HZ PHE 65 HZ PHE 65 -2.304 3.856 -9.696 563 H VAL 66 HN VAL 66 0.436 3.928 -2.746 564 HA VAL 66 HA VAL 66 0.226 5.057 -0.013 565 HB VAL 66 HB VAL 66 1.091 2.208 -0.738 566 HG11 VAL 66 HG11 VAL 66 2.257 3.366 1.262 567 HG12 VAL 66 HG12 VAL 66 0.691 3.258 2.063 568 HG13 VAL 66 HG13 VAL 66 1.515 1.787 1.522 569 HG21 VAL 66 HG21 VAL 66 -0.814 1.438 0.639 570 HG22 VAL 66 HG22 VAL 66 -1.374 3.105 0.791 571 HG23 VAL 66 HG23 VAL 66 -1.357 2.302 -0.798 572 H THR 67 HN THR 67 2.284 5.949 0.581 573 HA THR 67 HA THR 67 4.553 5.541 -1.303 574 HB THR 67 HB THR 67 3.744 7.900 0.412 575 HG1 THR 67 HG1 THR 67 4.333 8.567 -2.050 576 HG21 THR 67 HG21 THR 67 6.325 7.492 -1.153 577 HG22 THR 67 HG22 THR 67 6.177 7.632 0.615 578 HG23 THR 67 HG23 THR 67 5.789 9.009 -0.392 579 H ILE 68 HN ILE 68 6.020 4.224 -0.452 580 HA ILE 68 HA ILE 68 6.777 4.510 2.355 581 HB ILE 68 HB ILE 68 6.577 1.762 1.052 582 HG12 ILE 68 HG12 ILE 68 4.754 2.836 3.255 583 HG13 ILE 68 HG13 ILE 68 4.276 2.603 1.576 584 HG21 ILE 68 HG21 ILE 68 7.186 1.005 3.334 585 HG22 ILE 68 HG22 ILE 68 8.376 2.093 2.641 586 HG23 ILE 68 HG23 ILE 68 7.228 2.713 3.857 587 HD11 ILE 68 HD11 ILE 68 3.474 0.725 2.820 588 HD12 ILE 68 HD12 ILE 68 4.773 0.168 1.743 589 HD13 ILE 68 HD13 ILE 68 5.073 0.383 3.481 590 H SER 69 HN SER 69 8.863 5.154 2.124 591 HA SER 69 HA SER 69 10.453 4.190 -0.223 592 HB2 SER 69 HB2 SER 69 10.660 6.855 1.240 593 HB3 SER 69 HB3 SER 69 11.689 6.284 -0.092 594 HG SER 69 HG SER 69 9.884 7.767 -0.583 595 H PHE 70 HN PHE 70 12.209 2.979 0.498 596 HA PHE 70 HA PHE 70 13.123 3.350 3.274 597 HB2 PHE 70 HB2 PHE 70 12.992 1.008 3.767 598 HB3 PHE 70 HB3 PHE 70 11.427 1.593 3.412 599 HD1 PHE 70 HD2 PHE 70 10.689 1.079 0.762 600 HD2 PHE 70 HD1 PHE 70 14.051 -0.758 2.714 601 HE1 PHE 70 HE2 PHE 70 10.731 -0.701 -0.939 602 HE2 PHE 70 HE1 PHE 70 13.984 -2.633 1.098 603 HZ PHE 70 HZ PHE 70 12.294 -2.624 -0.729 604 H ASP 71 HN ASP 71 14.951 1.740 3.610 605 HA ASP 71 HA ASP 71 16.932 2.400 1.521 606 HB2 ASP 71 HB2 ASP 71 16.846 3.301 3.920 607 HB3 ASP 71 HB3 ASP 71 17.245 1.662 4.454 608 HA PRO 72 HA PRO 72 17.355 -1.985 0.898 609 HB2 PRO 72 HB2 PRO 72 19.706 -2.131 -0.523 610 HB3 PRO 72 HB3 PRO 72 18.184 -1.451 -1.176 611 HG2 PRO 72 HG2 PRO 72 20.527 0.058 -0.013 612 HG3 PRO 72 HG3 PRO 72 19.615 0.396 -1.517 613 HD2 PRO 72 HD2 PRO 72 19.079 1.710 0.797 614 HD3 PRO 72 HD3 PRO 72 17.782 1.247 -0.346 615 H TYR 73 HN TYR 73 19.715 -0.247 2.832 616 HA TYR 73 HA TYR 73 21.571 -2.345 3.237 617 HB2 TYR 73 HB2 TYR 73 20.855 0.099 4.903 618 HB3 TYR 73 HB3 TYR 73 22.086 -1.041 5.386 619 HD1 TYR 73 HD2 TYR 73 21.326 0.557 2.000 620 HD2 TYR 73 HD1 TYR 73 24.158 -0.018 5.207 621 HE1 TYR 73 HE2 TYR 73 23.001 1.703 0.680 622 HE2 TYR 73 HE1 TYR 73 25.853 1.214 3.904 623 HH TYR 73 HH TYR 73 25.083 2.738 0.787 624 H SER 74 HN SER 74 18.788 -1.304 5.195 625 HA SER 74 HA SER 74 18.693 -3.982 6.498 626 HB2 SER 74 HB2 SER 74 20.241 -2.116 7.569 627 HB3 SER 74 HB3 SER 74 18.706 -1.463 8.160 628 HG SER 74 HG SER 74 19.684 -2.812 9.608 629 H GLN 75 HN GLN 75 16.892 -1.927 4.774 630 HA GLN 75 HA GLN 75 14.829 -1.037 4.757 631 HB2 GLN 75 HB2 GLN 75 14.144 -3.366 6.613 632 HB3 GLN 75 HB3 GLN 75 12.996 -2.140 6.146 633 HG2 GLN 75 HG2 GLN 75 12.497 -3.793 4.664 634 HG3 GLN 75 HG3 GLN 75 13.532 -2.753 3.698 635 HE21 GLN 75 HE21 GLN 75 15.778 -3.465 3.260 636 HE22 GLN 75 HE22 GLN 75 16.093 -5.197 3.378 637 H LYS 76 HN LYS 76 16.373 0.673 5.851 638 HA LYS 76 HA LYS 76 15.138 1.603 8.388 639 HB2 LYS 76 HB2 LYS 76 17.023 2.911 6.354 640 HB3 LYS 76 HB3 LYS 76 16.007 3.837 7.435 641 HG2 LYS 76 HG2 LYS 76 17.223 2.163 9.240 642 HG3 LYS 76 HG3 LYS 76 18.508 2.365 8.025 643 HD2 LYS 76 HD2 LYS 76 17.968 4.929 8.201 644 HD3 LYS 76 HD3 LYS 76 17.004 4.478 9.606 645 HE2 LYS 76 HE2 LYS 76 18.913 5.039 10.699 646 HE3 LYS 76 HE3 LYS 76 19.291 3.337 10.412 647 HZ1 LYS 76 HZ1 LYS 76 20.224 5.628 8.748 648 HZ2 LYS 76 HZ2 LYS 76 20.616 4.054 8.489 649 HZ3 LYS 76 HZ3 LYS 76 21.124 4.822 9.851 650 H VAL 77 HN VAL 77 13.175 2.488 8.220 651 HA VAL 77 HA VAL 77 11.799 2.981 5.671 652 HB VAL 77 HB VAL 77 11.426 4.000 8.465 653 HG11 VAL 77 HG11 VAL 77 10.305 5.516 6.981 654 HG12 VAL 77 HG12 VAL 77 9.435 4.196 6.207 655 HG13 VAL 77 HG13 VAL 77 9.116 4.591 7.906 656 HG21 VAL 77 HG21 VAL 77 9.595 2.392 8.798 657 HG22 VAL 77 HG22 VAL 77 10.062 1.598 7.281 658 HG23 VAL 77 HG23 VAL 77 11.202 1.671 8.651 659 H ASN 78 HN ASN 78 12.224 4.798 4.456 660 HA ASN 78 HA ASN 78 13.978 6.902 5.633 661 HB2 ASN 78 HB2 ASN 78 13.174 6.400 2.734 662 HB3 ASN 78 HB3 ASN 78 14.021 7.834 3.314 663 HD21 ASN 78 HD21 ASN 78 14.899 5.145 1.626 664 HD22 ASN 78 HD22 ASN 78 16.363 4.778 2.528 665 H LYS 79 HN LYS 79 10.895 6.547 3.760 666 HA LYS 79 HA LYS 79 9.644 8.618 5.457 667 HB2 LYS 79 HB2 LYS 79 10.690 9.046 2.700 668 HB3 LYS 79 HB3 LYS 79 8.998 9.463 2.860 669 HG2 LYS 79 HG2 LYS 79 11.069 10.511 4.828 670 HG3 LYS 79 HG3 LYS 79 10.754 11.309 3.285 671 HD2 LYS 79 HD2 LYS 79 8.364 11.563 3.857 672 HD3 LYS 79 HD3 LYS 79 8.648 10.758 5.422 673 HE2 LYS 79 HE2 LYS 79 10.247 12.525 6.049 674 HE3 LYS 79 HE3 LYS 79 9.995 13.336 4.496 675 HZ1 LYS 79 HZ1 LYS 79 7.791 12.848 6.404 676 HZ2 LYS 79 HZ2 LYS 79 7.793 13.855 5.097 677 HZ3 LYS 79 HZ3 LYS 79 8.712 14.224 6.396 678 H ILE 80 HN ILE 80 7.335 8.917 4.945 679 HA ILE 80 HA ILE 80 6.016 6.781 3.463 680 HB ILE 80 HB ILE 80 5.504 7.373 6.418 681 HG12 ILE 80 HG12 ILE 80 6.641 4.877 5.061 682 HG13 ILE 80 HG13 ILE 80 7.477 5.963 6.177 683 HG21 ILE 80 HG21 ILE 80 4.123 5.348 4.615 684 HG22 ILE 80 HG22 ILE 80 3.757 5.646 6.329 685 HG23 ILE 80 HG23 ILE 80 3.394 6.879 5.163 686 HD11 ILE 80 HD11 ILE 80 5.294 3.995 6.822 687 HD12 ILE 80 HD12 ILE 80 6.917 4.161 7.527 688 HD13 ILE 80 HD13 ILE 80 5.684 5.368 7.894 689 H ALA 81 HN ALA 81 4.020 7.483 2.691 690 HA ALA 81 HA ALA 81 2.540 9.616 3.862 691 HB1 ALA 81 HB1 ALA 81 2.228 10.990 1.845 692 HB2 ALA 81 HB2 ALA 81 3.926 10.992 2.299 693 HB3 ALA 81 HB3 ALA 81 3.379 9.994 0.941 694 H ILE 82 HN ILE 82 0.430 9.841 2.214 695 HA ILE 82 HA ILE 82 -0.244 7.239 1.037 696 HB ILE 82 HB ILE 82 -1.807 8.833 3.070 697 HG12 ILE 82 HG12 ILE 82 -0.251 6.925 3.757 698 HG13 ILE 82 HG13 ILE 82 -1.902 6.856 4.319 699 HG21 ILE 82 HG21 ILE 82 -3.466 8.523 1.385 700 HG22 ILE 82 HG22 ILE 82 -2.964 6.857 1.068 701 HG23 ILE 82 HG23 ILE 82 -3.747 7.268 2.597 702 HD11 ILE 82 HD11 ILE 82 -2.442 5.007 3.077 703 HD12 ILE 82 HD12 ILE 82 -1.266 5.382 1.775 704 HD13 ILE 82 HD13 ILE 82 -0.714 4.707 3.295 705 H LEU 83 HN LEU 83 -1.996 7.609 -0.683 706 HA LEU 83 HA LEU 83 -2.267 10.338 -1.656 707 HB2 LEU 83 HB2 LEU 83 -0.260 9.164 -2.694 708 HB3 LEU 83 HB3 LEU 83 -1.344 7.930 -3.261 709 HG LEU 83 HG LEU 83 -0.513 9.565 -4.907 710 HD11 LEU 83 HD11 LEU 83 -2.877 8.326 -5.014 711 HD12 LEU 83 HD12 LEU 83 -2.254 9.365 -6.293 712 HD13 LEU 83 HD13 LEU 83 -3.423 10.006 -5.161 713 HD21 LEU 83 HD21 LEU 83 -0.606 11.596 -3.496 714 HD22 LEU 83 HD22 LEU 83 -2.381 11.593 -3.636 715 HD23 LEU 83 HD23 LEU 83 -1.370 11.794 -5.081 716 H GLU 84 HN GLU 84 -4.222 10.209 -3.344 717 HA GLU 84 HA GLU 84 -5.932 7.915 -3.005 718 HB2 GLU 84 HB2 GLU 84 -6.262 9.681 -1.009 719 HB3 GLU 84 HB3 GLU 84 -6.876 10.713 -2.291 720 HG2 GLU 84 HG2 GLU 84 -8.451 8.512 -2.686 721 HG3 GLU 84 HG3 GLU 84 -8.107 8.322 -0.996 722 H GLU 85 HN GLU 85 -7.515 7.923 -4.682 723 HA GLU 85 HA GLU 85 -6.544 9.432 -6.951 724 HB2 GLU 85 HB2 GLU 85 -6.942 7.011 -7.141 725 HB3 GLU 85 HB3 GLU 85 -8.623 7.220 -6.624 726 HG2 GLU 85 HG2 GLU 85 -8.530 6.816 -8.965 727 HG3 GLU 85 HG3 GLU 85 -9.124 8.439 -8.676 728 H TYR 86 HN TYR 86 -7.703 10.697 -8.332 729 HA TYR 86 HA TYR 86 -10.403 11.581 -7.665 730 HB2 TYR 86 HB2 TYR 86 -9.760 13.976 -7.552 731 HB3 TYR 86 HB3 TYR 86 -9.137 13.037 -6.200 732 HD1 TYR 86 HD2 TYR 86 -8.247 14.838 -9.315 733 HD2 TYR 86 HD1 TYR 86 -6.719 12.711 -5.889 734 HE1 TYR 86 HE2 TYR 86 -6.000 15.583 -9.880 735 HE2 TYR 86 HE1 TYR 86 -4.442 13.492 -6.420 736 HH TYR 86 HH TYR 86 -3.788 15.567 -9.299 737 H GLN 87 HN GLN 87 -11.500 12.449 -9.369 738 HA GLN 87 HA GLN 87 -10.485 13.219 -11.899 739 HB2 GLN 87 HB2 GLN 87 -11.158 11.213 -13.157 740 HB3 GLN 87 HB3 GLN 87 -9.839 10.853 -12.064 741 HG2 GLN 87 HG2 GLN 87 -11.928 10.182 -10.474 742 HG3 GLN 87 HG3 GLN 87 -12.691 9.944 -12.032 743 HE21 GLN 87 HE21 GLN 87 -10.969 8.495 -9.647 744 HE22 GLN 87 HE22 GLN 87 -10.136 7.221 -10.513 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 -19.906 -9.362 -1.358 2 HA2 GLY 1 HA1 GLY 1 -19.843 -10.712 -3.447 3 HA3 GLY 1 HA2 GLY 1 -18.799 -9.438 -4.101 4 H GLU 2 HN GLU 2 -16.662 -9.990 -4.009 5 HA GLU 2 HA GLU 2 -15.767 -11.986 -1.993 6 HB2 GLU 2 HB2 GLU 2 -14.776 -11.103 -4.720 7 HB3 GLU 2 HB3 GLU 2 -13.767 -12.070 -3.627 8 HG2 GLU 2 HG2 GLU 2 -15.349 -13.865 -3.537 9 HG3 GLU 2 HG3 GLU 2 -16.607 -12.900 -4.300 10 H GLU 3 HN GLU 3 -13.316 -11.594 -1.475 11 HA GLU 3 HA GLU 3 -13.268 -8.981 -0.069 12 HB2 GLU 3 HB2 GLU 3 -11.750 -11.574 0.429 13 HB3 GLU 3 HB3 GLU 3 -11.632 -10.090 1.372 14 HG2 GLU 3 HG2 GLU 3 -14.344 -10.435 1.444 15 HG3 GLU 3 HG3 GLU 3 -13.838 -12.114 1.305 16 H THR 4 HN THR 4 -11.160 -10.985 -2.172 17 HA THR 4 HA THR 4 -10.087 -8.642 -3.351 18 HB THR 4 HB THR 4 -7.649 -9.746 -3.052 19 HG1 THR 4 HG1 THR 4 -8.993 -10.946 -1.119 20 HG21 THR 4 HG21 THR 4 -8.115 -7.401 -2.591 21 HG22 THR 4 HG22 THR 4 -7.000 -8.107 -1.406 22 HG23 THR 4 HG23 THR 4 -8.674 -7.825 -0.950 23 HA PRO 5 HA PRO 5 -9.850 -11.926 -6.468 24 HB2 PRO 5 HB2 PRO 5 -7.911 -11.086 -8.191 25 HB3 PRO 5 HB3 PRO 5 -9.485 -10.247 -8.018 26 HG2 PRO 5 HG2 PRO 5 -6.864 -9.549 -6.634 27 HG3 PRO 5 HG3 PRO 5 -7.907 -8.463 -7.608 28 HD2 PRO 5 HD2 PRO 5 -8.131 -8.536 -4.924 29 HD3 PRO 5 HD3 PRO 5 -9.598 -8.448 -5.944 30 H LEU 6 HN LEU 6 -7.678 -11.554 -4.056 31 HA LEU 6 HA LEU 6 -5.461 -13.288 -4.905 32 HB2 LEU 6 HB2 LEU 6 -6.160 -12.003 -2.237 33 HB3 LEU 6 HB3 LEU 6 -4.659 -12.841 -2.601 34 HG LEU 6 HG LEU 6 -5.533 -10.303 -4.066 35 HD11 LEU 6 HD11 LEU 6 -3.901 -10.673 -1.536 36 HD12 LEU 6 HD12 LEU 6 -5.398 -9.773 -1.736 37 HD13 LEU 6 HD13 LEU 6 -3.929 -9.173 -2.521 38 HD21 LEU 6 HD21 LEU 6 -3.824 -11.581 -5.266 39 HD22 LEU 6 HD22 LEU 6 -2.840 -11.713 -3.796 40 HD23 LEU 6 HD23 LEU 6 -3.102 -10.127 -4.559 41 H VAL 7 HN VAL 7 -7.582 -14.804 -5.315 42 HA VAL 7 HA VAL 7 -8.737 -16.105 -3.048 43 HB VAL 7 HB VAL 7 -9.471 -17.785 -4.730 44 HG11 VAL 7 HG11 VAL 7 -10.936 -16.311 -5.920 45 HG12 VAL 7 HG12 VAL 7 -10.690 -15.634 -4.312 46 HG13 VAL 7 HG13 VAL 7 -9.855 -14.921 -5.709 47 HG21 VAL 7 HG21 VAL 7 -7.477 -17.756 -6.238 48 HG22 VAL 7 HG22 VAL 7 -8.991 -17.479 -7.103 49 HG23 VAL 7 HG23 VAL 7 -7.921 -16.117 -6.780 50 H THR 8 HN THR 8 -5.549 -16.237 -3.992 51 HA THR 8 HA THR 8 -5.060 -19.034 -3.200 52 HB THR 8 HB THR 8 -3.114 -16.934 -4.264 53 HG1 THR 8 HG1 THR 8 -4.754 -18.790 -5.654 54 HG21 THR 8 HG21 THR 8 -3.035 -19.988 -4.264 55 HG22 THR 8 HG22 THR 8 -2.034 -18.912 -3.268 56 HG23 THR 8 HG23 THR 8 -1.842 -18.929 -5.029 57 H ALA 9 HN ALA 9 -4.167 -19.446 -1.229 58 HA ALA 9 HA ALA 9 -3.666 -17.373 0.740 59 HB1 ALA 9 HB1 ALA 9 -4.580 -19.544 1.423 60 HB2 ALA 9 HB2 ALA 9 -3.154 -20.377 0.758 61 HB3 ALA 9 HB3 ALA 9 -2.988 -19.287 2.151 62 H ARG 10 HN ARG 10 -2.184 -16.157 -0.509 63 HA ARG 10 HA ARG 10 0.593 -17.046 -0.810 64 HB2 ARG 10 HB2 ARG 10 0.988 -14.668 -1.231 65 HB3 ARG 10 HB3 ARG 10 -0.307 -15.288 -2.247 66 HG2 ARG 10 HG2 ARG 10 -2.002 -14.152 -1.043 67 HG3 ARG 10 HG3 ARG 10 -0.930 -13.793 0.331 68 HD2 ARG 10 HD2 ARG 10 0.501 -12.379 -1.100 69 HD3 ARG 10 HD3 ARG 10 -0.498 -12.776 -2.509 70 HE ARG 10 HE ARG 10 -1.992 -11.208 -1.919 71 HH11 ARG 10 HH11 ARG 10 -0.118 -11.778 1.155 72 HH12 ARG 10 HH12 ARG 10 -0.446 -10.128 1.648 73 HH21 ARG 10 HH21 ARG 10 -2.239 -9.038 -1.054 74 HH22 ARG 10 HH22 ARG 10 -1.535 -8.740 0.527 75 H HIS 11 HN HIS 11 2.072 -15.149 0.472 76 HA HIS 11 HA HIS 11 1.382 -15.403 3.352 77 HB2 HIS 11 HB2 HIS 11 3.668 -16.207 2.199 78 HB3 HIS 11 HB3 HIS 11 4.070 -14.491 2.320 79 HD1 HIS 11 HD1 HIS 11 4.778 -13.726 4.809 80 HD2 HIS 11 HD2 HIS 11 3.049 -17.543 4.424 81 HE1 HIS 11 HE1 HIS 11 5.159 -14.911 7.048 82 H MET 12 HN MET 12 1.912 -13.380 4.655 83 HA MET 12 HA MET 12 1.466 -10.892 3.195 84 HB2 MET 12 HB2 MET 12 0.878 -11.832 5.785 85 HB3 MET 12 HB3 MET 12 2.229 -10.723 6.044 86 HG2 MET 12 HG2 MET 12 0.115 -9.631 6.240 87 HG3 MET 12 HG3 MET 12 0.936 -8.996 4.810 88 HE1 MET 12 HE1 MET 12 -2.957 -8.847 4.101 89 HE2 MET 12 HE2 MET 12 -2.149 -8.725 5.677 90 HE3 MET 12 HE3 MET 12 -1.467 -7.897 4.244 91 H SER 13 HN SER 13 3.139 -9.096 4.307 92 HA SER 13 HA SER 13 5.884 -9.994 3.757 93 HB2 SER 13 HB2 SER 13 4.430 -9.295 1.641 94 HB3 SER 13 HB3 SER 13 4.753 -7.657 2.228 95 HG SER 13 HG SER 13 6.441 -9.671 1.267 96 H LYS 14 HN LYS 14 7.215 -7.785 3.728 97 HA LYS 14 HA LYS 14 7.131 -6.977 6.518 98 HB2 LYS 14 HB2 LYS 14 9.281 -7.204 5.305 99 HB3 LYS 14 HB3 LYS 14 8.841 -5.895 4.220 100 HG2 LYS 14 HG2 LYS 14 10.344 -4.955 5.766 101 HG3 LYS 14 HG3 LYS 14 8.757 -4.353 6.235 102 HD2 LYS 14 HD2 LYS 14 8.697 -6.178 8.020 103 HD3 LYS 14 HD3 LYS 14 10.356 -6.596 7.549 104 HE2 LYS 14 HE2 LYS 14 10.988 -4.176 7.983 105 HE3 LYS 14 HE3 LYS 14 9.375 -3.926 8.656 106 HZ1 LYS 14 HZ1 LYS 14 10.980 -6.102 9.766 107 HZ2 LYS 14 HZ2 LYS 14 9.909 -5.092 10.526 108 HZ3 LYS 14 HZ3 LYS 14 11.404 -4.564 10.136 109 H TRP 15 HN TRP 15 6.630 -5.175 3.450 110 HA TRP 15 HA TRP 15 5.818 -2.754 4.889 111 HB2 TRP 15 HB2 TRP 15 6.101 -3.387 1.949 112 HB3 TRP 15 HB3 TRP 15 5.861 -1.797 2.677 113 HD1 TRP 15 HD1 TRP 15 8.568 -4.321 1.959 114 HE1 TRP 15 HE1 TRP 15 10.838 -3.566 2.860 115 HE3 TRP 15 HE3 TRP 15 6.994 -0.306 4.682 116 HZ2 TRP 15 HZ2 TRP 15 11.816 -1.345 4.538 117 HZ3 TRP 15 HZ3 TRP 15 8.585 1.130 5.854 118 HH2 TRP 15 HH2 TRP 15 11.060 0.577 5.802 119 H GLU 16 HN GLU 16 4.192 -5.542 3.686 120 HA GLU 16 HA GLU 16 1.633 -4.668 2.888 121 HB2 GLU 16 HB2 GLU 16 2.801 -7.071 4.250 122 HB3 GLU 16 HB3 GLU 16 1.080 -6.848 4.460 123 HG2 GLU 16 HG2 GLU 16 2.341 -6.907 1.718 124 HG3 GLU 16 HG3 GLU 16 1.874 -8.358 2.583 125 H GLU 17 HN GLU 17 2.628 -5.614 6.206 126 HA GLU 17 HA GLU 17 0.287 -4.854 7.470 127 HB2 GLU 17 HB2 GLU 17 3.087 -5.479 8.246 128 HB3 GLU 17 HB3 GLU 17 2.226 -4.518 9.426 129 HG2 GLU 17 HG2 GLU 17 0.745 -6.887 8.275 130 HG3 GLU 17 HG3 GLU 17 2.115 -7.212 9.302 131 H ILE 18 HN ILE 18 2.929 -2.740 6.455 132 HA ILE 18 HA ILE 18 2.054 -0.511 8.196 133 HB ILE 18 HB ILE 18 4.206 -0.621 6.033 134 HG12 ILE 18 HG12 ILE 18 4.534 -0.609 9.073 135 HG13 ILE 18 HG13 ILE 18 4.627 -2.072 8.089 136 HG21 ILE 18 HG21 ILE 18 3.393 1.631 6.279 137 HG22 ILE 18 HG22 ILE 18 3.296 1.484 8.047 138 HG23 ILE 18 HG23 ILE 18 4.867 1.559 7.274 139 HD11 ILE 18 HD11 ILE 18 6.566 0.241 7.870 140 HD12 ILE 18 HD12 ILE 18 6.838 -1.325 8.634 141 HD13 ILE 18 HD13 ILE 18 6.560 -1.247 6.883 142 H ALA 19 HN ALA 19 2.116 -1.344 4.682 143 HA ALA 19 HA ALA 19 0.730 0.901 3.776 144 HB1 ALA 19 HB1 ALA 19 0.478 -1.992 2.793 145 HB2 ALA 19 HB2 ALA 19 0.096 -0.529 1.868 146 HB3 ALA 19 HB3 ALA 19 1.772 -0.862 2.328 147 H VAL 20 HN VAL 20 -0.630 -2.191 5.075 148 HA VAL 20 HA VAL 20 -3.243 -1.072 4.847 149 HB VAL 20 HB VAL 20 -2.352 -3.414 6.656 150 HG11 VAL 20 HG11 VAL 20 -4.654 -2.672 7.139 151 HG12 VAL 20 HG12 VAL 20 -5.082 -2.823 5.421 152 HG13 VAL 20 HG13 VAL 20 -4.666 -4.259 6.394 153 HG21 VAL 20 HG21 VAL 20 -3.172 -4.890 4.695 154 HG22 VAL 20 HG22 VAL 20 -3.037 -3.439 3.724 155 HG23 VAL 20 HG23 VAL 20 -1.613 -4.104 4.507 156 H LYS 21 HN LYS 21 -1.141 -1.312 7.756 157 HA LYS 21 HA LYS 21 -3.201 -0.290 9.437 158 HB2 LYS 21 HB2 LYS 21 -0.172 -0.242 9.650 159 HB3 LYS 21 HB3 LYS 21 -1.206 0.537 10.860 160 HG2 LYS 21 HG2 LYS 21 -2.415 -1.517 11.285 161 HG3 LYS 21 HG3 LYS 21 -1.528 -2.384 10.028 162 HD2 LYS 21 HD2 LYS 21 0.590 -1.986 11.287 163 HD3 LYS 21 HD3 LYS 21 -0.338 -1.244 12.598 164 HE2 LYS 21 HE2 LYS 21 -0.656 -4.092 11.541 165 HE3 LYS 21 HE3 LYS 21 0.196 -3.651 13.019 166 HZ1 LYS 21 HZ1 LYS 21 -2.048 -4.453 13.406 167 HZ2 LYS 21 HZ2 LYS 21 -2.695 -3.212 12.552 168 HZ3 LYS 21 HZ3 LYS 21 -1.902 -2.907 13.954 169 H GLU 22 HN GLU 22 -1.131 1.335 7.078 170 HA GLU 22 HA GLU 22 -1.638 3.889 8.258 171 HB2 GLU 22 HB2 GLU 22 0.196 4.549 7.316 172 HB3 GLU 22 HB3 GLU 22 0.442 2.812 7.348 173 HG2 GLU 22 HG2 GLU 22 1.311 3.033 5.400 174 HG3 GLU 22 HG3 GLU 22 -0.325 2.906 4.842 175 H ALA 23 HN ALA 23 -2.594 2.205 5.238 176 HA ALA 23 HA ALA 23 -4.348 4.262 4.340 177 HB1 ALA 23 HB1 ALA 23 -4.613 1.234 4.039 178 HB2 ALA 23 HB2 ALA 23 -5.455 2.490 3.090 179 HB3 ALA 23 HB3 ALA 23 -3.698 2.324 2.973 180 H LYS 24 HN LYS 24 -4.920 1.542 6.733 181 HA LYS 24 HA LYS 24 -7.709 2.281 6.951 182 HB2 LYS 24 HB2 LYS 24 -8.053 0.685 8.511 183 HB3 LYS 24 HB3 LYS 24 -6.857 0.034 7.389 184 HG2 LYS 24 HG2 LYS 24 -5.088 0.820 9.042 185 HG3 LYS 24 HG3 LYS 24 -6.425 1.153 10.143 186 HD2 LYS 24 HD2 LYS 24 -5.983 -1.541 8.801 187 HD3 LYS 24 HD3 LYS 24 -5.123 -1.135 10.292 188 HE2 LYS 24 HE2 LYS 24 -8.149 -1.268 9.984 189 HE3 LYS 24 HE3 LYS 24 -7.129 -2.559 10.612 190 HZ1 LYS 24 HZ1 LYS 24 -7.943 -1.464 12.459 191 HZ2 LYS 24 HZ2 LYS 24 -7.686 0.036 11.846 192 HZ3 LYS 24 HZ3 LYS 24 -6.412 -0.882 12.361 193 H LYS 25 HN LYS 25 -4.886 3.227 8.987 194 HA LYS 25 HA LYS 25 -6.598 4.660 10.823 195 HB2 LYS 25 HB2 LYS 25 -4.594 5.711 11.677 196 HB3 LYS 25 HB3 LYS 25 -4.434 3.965 11.555 197 HG2 LYS 25 HG2 LYS 25 -2.417 4.370 10.746 198 HG3 LYS 25 HG3 LYS 25 -3.266 4.695 9.234 199 HD2 LYS 25 HD2 LYS 25 -2.575 6.819 9.163 200 HD3 LYS 25 HD3 LYS 25 -3.110 7.111 10.811 201 HE2 LYS 25 HE2 LYS 25 -0.784 7.539 10.818 202 HE3 LYS 25 HE3 LYS 25 -1.006 6.010 11.657 203 HZ1 LYS 25 HZ1 LYS 25 0.840 5.912 10.157 204 HZ2 LYS 25 HZ2 LYS 25 -0.076 6.314 8.857 205 HZ3 LYS 25 HZ3 LYS 25 -0.266 4.860 9.678 206 H ARG 26 HN ARG 26 -4.911 5.640 7.869 207 HA ARG 26 HA ARG 26 -5.490 8.432 8.371 208 HB2 ARG 26 HB2 ARG 26 -3.482 7.512 7.154 209 HB3 ARG 26 HB3 ARG 26 -4.533 7.191 5.767 210 HG2 ARG 26 HG2 ARG 26 -4.726 9.442 5.259 211 HG3 ARG 26 HG3 ARG 26 -4.705 9.937 6.949 212 HD2 ARG 26 HD2 ARG 26 -2.225 9.453 7.020 213 HD3 ARG 26 HD3 ARG 26 -2.273 9.186 5.289 214 HE ARG 26 HE ARG 26 -2.903 11.396 4.882 215 HH11 ARG 26 HH11 ARG 26 -2.669 10.867 8.363 216 HH12 ARG 26 HH12 ARG 26 -2.534 12.529 8.823 217 HH21 ARG 26 HH21 ARG 26 -3.160 13.612 5.481 218 HH22 ARG 26 HH22 ARG 26 -2.960 14.134 7.113 219 H TYR 27 HN TYR 27 -7.807 6.200 7.685 220 HA TYR 27 HA TYR 27 -9.381 8.063 6.052 221 HB2 TYR 27 HB2 TYR 27 -8.818 5.210 5.248 222 HB3 TYR 27 HB3 TYR 27 -10.208 6.156 4.699 223 HD1 TYR 27 HD2 TYR 27 -6.469 6.132 4.698 224 HD2 TYR 27 HD1 TYR 27 -10.049 7.620 2.844 225 HE1 TYR 27 HE2 TYR 27 -5.105 7.110 2.964 226 HE2 TYR 27 HE1 TYR 27 -8.677 8.728 1.113 227 HH TYR 27 HH TYR 27 -6.529 9.222 0.411 228 HA PRO 28 HA PRO 28 -11.370 6.140 9.683 229 HB2 PRO 28 HB2 PRO 28 -12.558 8.400 10.733 230 HB3 PRO 28 HB3 PRO 28 -10.854 7.934 10.995 231 HG2 PRO 28 HG2 PRO 28 -11.952 9.971 9.053 232 HG3 PRO 28 HG3 PRO 28 -10.451 10.013 10.036 233 HD2 PRO 28 HD2 PRO 28 -10.492 9.371 7.397 234 HD3 PRO 28 HD3 PRO 28 -9.245 8.838 8.560 235 H LEU 29 HN LEU 29 -12.807 8.005 7.024 236 HA LEU 29 HA LEU 29 -15.560 7.430 7.892 237 HB2 LEU 29 HB2 LEU 29 -14.389 8.889 5.513 238 HB3 LEU 29 HB3 LEU 29 -16.049 8.339 5.499 239 HG LEU 29 HG LEU 29 -16.467 9.539 7.669 240 HD11 LEU 29 HD11 LEU 29 -13.678 10.613 7.094 241 HD12 LEU 29 HD12 LEU 29 -14.296 9.817 8.572 242 HD13 LEU 29 HD13 LEU 29 -14.848 11.436 8.138 243 HD21 LEU 29 HD21 LEU 29 -16.669 11.751 6.596 244 HD22 LEU 29 HD22 LEU 29 -17.200 10.449 5.527 245 HD23 LEU 29 HD23 LEU 29 -15.622 11.204 5.269 246 H ALA 30 HN ALA 30 -13.167 5.575 6.358 247 HA ALA 30 HA ALA 30 -15.114 3.956 4.809 248 HB1 ALA 30 HB1 ALA 30 -13.545 4.035 2.918 249 HB2 ALA 30 HB2 ALA 30 -14.005 5.681 3.368 250 HB3 ALA 30 HB3 ALA 30 -12.429 5.059 3.852 251 H GLN 31 HN GLN 31 -13.918 1.892 4.027 252 HA GLN 31 HA GLN 31 -12.072 0.879 6.178 253 HB2 GLN 31 HB2 GLN 31 -14.086 -0.694 4.523 254 HB3 GLN 31 HB3 GLN 31 -12.961 -1.371 5.708 255 HG2 GLN 31 HG2 GLN 31 -15.360 0.387 6.197 256 HG3 GLN 31 HG3 GLN 31 -15.078 -1.263 6.763 257 HE21 GLN 31 HE21 GLN 31 -14.917 1.964 7.596 258 HE22 GLN 31 HE22 GLN 31 -13.983 1.861 9.094 259 H VAL 32 HN VAL 32 -10.348 -0.447 5.509 260 HA VAL 32 HA VAL 32 -9.552 -0.177 2.687 261 HB VAL 32 HB VAL 32 -8.153 -1.218 5.185 262 HG11 VAL 32 HG11 VAL 32 -6.076 -1.084 3.838 263 HG12 VAL 32 HG12 VAL 32 -7.179 -2.290 3.161 264 HG13 VAL 32 HG13 VAL 32 -7.035 -0.683 2.399 265 HG21 VAL 32 HG21 VAL 32 -6.830 0.817 4.977 266 HG22 VAL 32 HG22 VAL 32 -7.785 1.350 3.594 267 HG23 VAL 32 HG23 VAL 32 -8.542 1.226 5.195 268 H LEU 33 HN LEU 33 -9.917 -1.679 1.142 269 HA LEU 33 HA LEU 33 -10.060 -4.518 1.795 270 HB2 LEU 33 HB2 LEU 33 -12.178 -4.594 0.440 271 HB3 LEU 33 HB3 LEU 33 -12.318 -4.163 2.110 272 HG LEU 33 HG LEU 33 -12.004 -1.783 0.330 273 HD11 LEU 33 HD11 LEU 33 -13.208 -3.267 -1.226 274 HD12 LEU 33 HD12 LEU 33 -14.190 -1.897 -0.704 275 HD13 LEU 33 HD13 LEU 33 -14.465 -3.503 0.021 276 HD21 LEU 33 HD21 LEU 33 -13.808 -0.917 1.676 277 HD22 LEU 33 HD22 LEU 33 -12.763 -1.832 2.772 278 HD23 LEU 33 HD23 LEU 33 -14.278 -2.541 2.225 279 H PHE 34 HN PHE 34 -7.913 -3.742 0.486 280 HA PHE 34 HA PHE 34 -8.243 -5.484 -1.608 281 HB2 PHE 34 HB2 PHE 34 -8.788 -2.919 -2.537 282 HB3 PHE 34 HB3 PHE 34 -7.098 -3.121 -2.971 283 HD1 PHE 34 HD2 PHE 34 -10.182 -5.368 -2.970 284 HD2 PHE 34 HD1 PHE 34 -6.984 -3.574 -5.268 285 HE1 PHE 34 HE2 PHE 34 -10.997 -6.497 -4.998 286 HE2 PHE 34 HE1 PHE 34 -7.794 -4.758 -7.292 287 HZ PHE 34 HZ PHE 34 -9.787 -6.218 -7.166 288 H LYS 35 HN LYS 35 -5.875 -5.983 -2.522 289 HA LYS 35 HA LYS 35 -3.743 -4.717 -0.910 290 HB2 LYS 35 HB2 LYS 35 -4.069 -7.724 -0.734 291 HB3 LYS 35 HB3 LYS 35 -2.908 -6.684 0.108 292 HG2 LYS 35 HG2 LYS 35 -4.722 -5.747 1.465 293 HG3 LYS 35 HG3 LYS 35 -5.904 -6.793 0.635 294 HD2 LYS 35 HD2 LYS 35 -3.485 -7.860 2.152 295 HD3 LYS 35 HD3 LYS 35 -5.090 -7.618 2.865 296 HE2 LYS 35 HE2 LYS 35 -6.048 -9.078 1.025 297 HE3 LYS 35 HE3 LYS 35 -4.393 -9.503 0.566 298 HZ1 LYS 35 HZ1 LYS 35 -5.519 -11.074 2.043 299 HZ2 LYS 35 HZ2 LYS 35 -5.557 -9.952 3.245 300 HZ3 LYS 35 HZ3 LYS 35 -4.117 -10.559 2.690 301 H GLN 36 HN GLN 36 -3.757 -4.166 -3.396 302 HA GLN 36 HA GLN 36 -2.949 -6.359 -5.156 303 HB2 GLN 36 HB2 GLN 36 -4.816 -4.297 -5.334 304 HB3 GLN 36 HB3 GLN 36 -3.458 -3.596 -6.193 305 HG2 GLN 36 HG2 GLN 36 -5.071 -4.763 -7.654 306 HG3 GLN 36 HG3 GLN 36 -3.443 -5.433 -7.759 307 HE21 GLN 36 HE21 GLN 36 -4.155 -7.443 -8.534 308 HE22 GLN 36 HE22 GLN 36 -5.144 -8.560 -7.586 309 H LYS 37 HN LYS 37 -1.304 -5.578 -6.967 310 HA LYS 37 HA LYS 37 1.063 -4.838 -5.404 311 HB2 LYS 37 HB2 LYS 37 2.335 -5.450 -7.422 312 HB3 LYS 37 HB3 LYS 37 1.303 -6.745 -6.846 313 HG2 LYS 37 HG2 LYS 37 -0.034 -6.728 -8.693 314 HG3 LYS 37 HG3 LYS 37 0.163 -4.990 -9.020 315 HD2 LYS 37 HD2 LYS 37 2.268 -5.283 -10.026 316 HD3 LYS 37 HD3 LYS 37 2.527 -6.841 -9.246 317 HE2 LYS 37 HE2 LYS 37 0.480 -7.631 -10.705 318 HE3 LYS 37 HE3 LYS 37 0.881 -6.219 -11.698 319 HZ1 LYS 37 HZ1 LYS 37 2.720 -8.390 -10.933 320 HZ2 LYS 37 HZ2 LYS 37 3.139 -7.128 -11.895 321 HZ3 LYS 37 HZ3 LYS 37 2.040 -8.239 -12.421 322 H VAL 38 HN VAL 38 2.773 -3.524 -6.735 323 HA VAL 38 HA VAL 38 1.619 -1.063 -7.913 324 HB VAL 38 HB VAL 38 3.148 0.269 -6.490 325 HG11 VAL 38 HG11 VAL 38 1.859 0.176 -4.479 326 HG12 VAL 38 HG12 VAL 38 0.786 -0.158 -5.821 327 HG13 VAL 38 HG13 VAL 38 1.356 -1.496 -4.810 328 HG21 VAL 38 HG21 VAL 38 4.916 -1.366 -6.050 329 HG22 VAL 38 HG22 VAL 38 4.231 -0.812 -4.532 330 HG23 VAL 38 HG23 VAL 38 3.798 -2.404 -5.165 331 H TRP 39 HN TRP 39 3.867 0.338 -8.305 332 HA TRP 39 HA TRP 39 5.619 -1.037 -10.179 333 HB2 TRP 39 HB2 TRP 39 5.050 1.321 -10.420 334 HB3 TRP 39 HB3 TRP 39 5.651 1.668 -8.804 335 HD1 TRP 39 HD1 TRP 39 7.029 0.296 -12.163 336 HE1 TRP 39 HE1 TRP 39 9.319 1.382 -12.595 337 HE3 TRP 39 HE3 TRP 39 7.641 2.813 -7.708 338 HZ2 TRP 39 HZ2 TRP 39 11.077 3.212 -11.283 339 HZ3 TRP 39 HZ3 TRP 39 9.619 4.258 -7.383 340 HH2 TRP 39 HH2 TRP 39 11.366 4.414 -9.166 341 H ASP 40 HN ASP 40 6.582 -2.769 -9.086 342 HA ASP 40 HA ASP 40 7.875 -2.413 -6.456 343 HB2 ASP 40 HB2 ASP 40 7.863 -4.671 -8.496 344 HB3 ASP 40 HB3 ASP 40 8.822 -4.695 -7.025 345 H ARG 41 HN ARG 41 9.795 -1.100 -6.534 346 HA ARG 41 HA ARG 41 11.800 -1.824 -8.618 347 HB2 ARG 41 HB2 ARG 41 10.875 0.109 -9.578 348 HB3 ARG 41 HB3 ARG 41 10.672 0.918 -8.032 349 HG2 ARG 41 HG2 ARG 41 12.434 2.007 -9.331 350 HG3 ARG 41 HG3 ARG 41 13.043 1.315 -7.843 351 HD2 ARG 41 HD2 ARG 41 14.660 0.506 -9.082 352 HD3 ARG 41 HD3 ARG 41 13.494 -0.727 -9.584 353 HE ARG 41 HE ARG 41 13.251 1.435 -11.383 354 HH11 ARG 41 HH11 ARG 41 15.484 -1.269 -10.589 355 HH12 ARG 41 HH12 ARG 41 15.843 -1.543 -12.275 356 HH21 ARG 41 HH21 ARG 41 14.092 1.241 -13.459 357 HH22 ARG 41 HH22 ARG 41 15.123 -0.101 -13.899 358 H LYS 42 HN LYS 42 14.071 -1.623 -7.925 359 HA LYS 42 HA LYS 42 14.568 -0.493 -5.344 360 HB2 LYS 42 HB2 LYS 42 14.168 -2.674 -4.622 361 HB3 LYS 42 HB3 LYS 42 14.773 -3.409 -6.096 362 HG2 LYS 42 HG2 LYS 42 16.706 -2.045 -4.252 363 HG3 LYS 42 HG3 LYS 42 16.028 -3.625 -3.842 364 HD2 LYS 42 HD2 LYS 42 16.759 -4.494 -6.090 365 HD3 LYS 42 HD3 LYS 42 17.690 -3.008 -6.322 366 HE2 LYS 42 HE2 LYS 42 19.118 -3.474 -4.483 367 HE3 LYS 42 HE3 LYS 42 17.992 -4.667 -3.806 368 HZ1 LYS 42 HZ1 LYS 42 19.488 -5.065 -6.323 369 HZ2 LYS 42 HZ2 LYS 42 18.476 -6.142 -5.575 370 HZ3 LYS 42 HZ3 LYS 42 19.898 -5.702 -4.889 371 H ARG 43 HN ARG 43 16.848 -0.176 -4.979 372 HA ARG 43 HA ARG 43 18.311 0.458 -7.495 373 HB2 ARG 43 HB2 ARG 43 17.778 2.225 -5.043 374 HB3 ARG 43 HB3 ARG 43 18.805 2.668 -6.394 375 HG2 ARG 43 HG2 ARG 43 15.806 2.213 -6.613 376 HG3 ARG 43 HG3 ARG 43 16.642 3.763 -6.506 377 HD2 ARG 43 HD2 ARG 43 18.033 2.482 -8.575 378 HD3 ARG 43 HD3 ARG 43 16.387 1.908 -8.809 379 HE ARG 43 HE ARG 43 15.745 4.027 -9.464 380 HH11 ARG 43 HH11 ARG 43 18.676 4.488 -7.519 381 HH12 ARG 43 HH12 ARG 43 18.911 6.100 -8.069 382 HH21 ARG 43 HH21 ARG 43 16.259 6.017 -10.425 383 HH22 ARG 43 HH22 ARG 43 17.416 7.035 -9.615 384 H LYS 44 HN LYS 44 20.507 1.732 -6.257 385 HA LYS 44 HA LYS 44 22.113 -0.443 -5.225 386 HB2 LYS 44 HB2 LYS 44 22.486 2.586 -5.020 387 HB3 LYS 44 HB3 LYS 44 23.668 1.375 -4.552 388 HG2 LYS 44 HG2 LYS 44 23.916 0.662 -6.855 389 HG3 LYS 44 HG3 LYS 44 22.633 1.795 -7.370 390 HD2 LYS 44 HD2 LYS 44 23.997 3.701 -6.751 391 HD3 LYS 44 HD3 LYS 44 25.157 2.658 -5.920 392 HE2 LYS 44 HE2 LYS 44 26.137 3.325 -8.000 393 HE3 LYS 44 HE3 LYS 44 25.811 1.598 -8.047 394 HZ1 LYS 44 HZ1 LYS 44 24.097 3.677 -9.281 395 HZ2 LYS 44 HZ2 LYS 44 23.889 2.060 -9.422 396 HZ3 LYS 44 HZ3 LYS 44 25.239 2.770 -10.063 397 H ASP 45 HN ASP 45 20.627 2.467 -3.864 398 HA ASP 45 HA ASP 45 20.549 1.519 -1.086 399 HB2 ASP 45 HB2 ASP 45 21.698 3.794 -0.636 400 HB3 ASP 45 HB3 ASP 45 22.676 2.432 -1.128 401 H GLU 46 HN GLU 46 18.406 1.541 -2.580 402 HA GLU 46 HA GLU 46 16.788 2.768 -0.821 403 HB2 GLU 46 HB2 GLU 46 17.023 4.826 -2.324 404 HB3 GLU 46 HB3 GLU 46 16.187 3.893 -3.578 405 HG2 GLU 46 HG2 GLU 46 14.177 3.811 -2.124 406 HG3 GLU 46 HG3 GLU 46 15.076 4.627 -0.830 407 H ALA 47 HN ALA 47 14.499 2.052 -1.383 408 HA ALA 47 HA ALA 47 14.014 0.335 -3.617 409 HB1 ALA 47 HB1 ALA 47 14.173 -0.846 -0.823 410 HB2 ALA 47 HB2 ALA 47 13.373 -1.663 -2.195 411 HB3 ALA 47 HB3 ALA 47 15.119 -1.343 -2.236 412 H VAL 48 HN VAL 48 11.730 -0.413 -3.597 413 HA VAL 48 HA VAL 48 9.872 1.092 -1.914 414 HB VAL 48 HB VAL 48 10.302 2.769 -3.439 415 HG11 VAL 48 HG11 VAL 48 10.212 0.838 -5.766 416 HG12 VAL 48 HG12 VAL 48 10.392 2.600 -5.871 417 HG13 VAL 48 HG13 VAL 48 11.668 1.661 -5.120 418 HG21 VAL 48 HG21 VAL 48 8.286 3.041 -4.750 419 HG22 VAL 48 HG22 VAL 48 7.971 1.299 -4.704 420 HG23 VAL 48 HG23 VAL 48 7.896 2.269 -3.207 421 H LYS 49 HN LYS 49 8.523 -0.366 -1.245 422 HA LYS 49 HA LYS 49 7.504 -2.566 -2.974 423 HB2 LYS 49 HB2 LYS 49 8.626 -2.775 -0.142 424 HB3 LYS 49 HB3 LYS 49 7.630 -4.008 -0.909 425 HG2 LYS 49 HG2 LYS 49 9.371 -4.414 -2.593 426 HG3 LYS 49 HG3 LYS 49 10.348 -3.094 -1.946 427 HD2 LYS 49 HD2 LYS 49 11.249 -5.124 -1.050 428 HD3 LYS 49 HD3 LYS 49 10.442 -4.284 0.269 429 HE2 LYS 49 HE2 LYS 49 9.056 -5.997 0.671 430 HE3 LYS 49 HE3 LYS 49 8.544 -6.059 -1.018 431 HZ1 LYS 49 HZ1 LYS 49 11.011 -7.317 0.013 432 HZ2 LYS 49 HZ2 LYS 49 10.383 -7.436 -1.524 433 HZ3 LYS 49 HZ3 LYS 49 9.605 -8.110 -0.256 434 H GLN 50 HN GLN 50 5.515 -1.402 -3.128 435 HA GLN 50 HA GLN 50 4.134 -0.840 -0.529 436 HB2 GLN 50 HB2 GLN 50 3.381 0.584 -3.063 437 HB3 GLN 50 HB3 GLN 50 3.011 0.995 -1.426 438 HG2 GLN 50 HG2 GLN 50 4.735 2.361 -1.284 439 HG3 GLN 50 HG3 GLN 50 5.914 1.173 -1.781 440 HE21 GLN 50 HE21 GLN 50 5.445 0.670 -4.539 441 HE22 GLN 50 HE22 GLN 50 5.313 2.187 -5.381 442 H TYR 51 HN TYR 51 1.579 -0.719 -1.257 443 HA TYR 51 HA TYR 51 0.896 -2.797 -3.172 444 HB2 TYR 51 HB2 TYR 51 -0.037 -2.840 -0.260 445 HB3 TYR 51 HB3 TYR 51 -0.620 -3.893 -1.545 446 HD1 TYR 51 HD1 TYR 51 0.977 -5.542 -2.640 447 HD2 TYR 51 HD2 TYR 51 2.079 -3.260 0.841 448 HE1 TYR 51 HE1 TYR 51 2.989 -6.975 -2.348 449 HE2 TYR 51 HE2 TYR 51 4.132 -4.614 1.088 450 HH TYR 51 HH TYR 51 4.946 -7.319 -1.135 451 H HIS 52 HN HIS 52 -1.062 -2.135 -4.154 452 HA HIS 52 HA HIS 52 -2.226 0.489 -3.514 453 HB2 HIS 52 HB2 HIS 52 -1.911 0.120 -5.841 454 HB3 HIS 52 HB3 HIS 52 -2.469 -1.545 -5.753 455 HD1 HIS 52 HD1 HIS 52 -4.499 1.628 -4.574 456 HD2 HIS 52 HD2 HIS 52 -4.507 -1.556 -7.363 457 HE1 HIS 52 HE1 HIS 52 -6.720 1.681 -5.730 458 H LEU 53 HN LEU 53 -3.967 0.577 -2.209 459 HA LEU 53 HA LEU 53 -5.655 -1.840 -1.830 460 HB2 LEU 53 HB2 LEU 53 -5.161 0.342 0.242 461 HB3 LEU 53 HB3 LEU 53 -6.148 -1.111 0.392 462 HG LEU 53 HG LEU 53 -3.730 -2.233 -0.309 463 HD11 LEU 53 HD11 LEU 53 -1.963 -1.213 1.052 464 HD12 LEU 53 HD12 LEU 53 -3.042 0.124 1.506 465 HD13 LEU 53 HD13 LEU 53 -2.518 -0.077 -0.177 466 HD21 LEU 53 HD21 LEU 53 -3.584 -3.147 1.721 467 HD22 LEU 53 HD22 LEU 53 -5.270 -2.681 1.770 468 HD23 LEU 53 HD23 LEU 53 -4.092 -1.668 2.614 469 H THR 54 HN THR 54 -8.007 -1.243 -1.546 470 HA THR 54 HA THR 54 -8.599 1.453 -2.678 471 HB THR 54 HB THR 54 -9.090 -0.817 -4.105 472 HG1 THR 54 HG1 THR 54 -10.795 1.448 -3.783 473 HG21 THR 54 HG21 THR 54 -11.326 -1.650 -3.766 474 HG22 THR 54 HG22 THR 54 -11.685 -0.405 -2.559 475 HG23 THR 54 HG23 THR 54 -10.566 -1.712 -2.172 476 H LEU 55 HN LEU 55 -10.316 2.415 -1.574 477 HA LEU 55 HA LEU 55 -11.271 1.007 0.887 478 HB2 LEU 55 HB2 LEU 55 -10.850 3.979 0.471 479 HB3 LEU 55 HB3 LEU 55 -11.884 3.312 1.702 480 HG LEU 55 HG LEU 55 -9.647 1.791 2.130 481 HD11 LEU 55 HD11 LEU 55 -8.258 2.926 0.604 482 HD12 LEU 55 HD12 LEU 55 -7.716 3.368 2.228 483 HD13 LEU 55 HD13 LEU 55 -8.668 4.524 1.260 484 HD21 LEU 55 HD21 LEU 55 -10.296 4.468 3.311 485 HD22 LEU 55 HD22 LEU 55 -9.262 3.223 4.067 486 HD23 LEU 55 HD23 LEU 55 -10.988 2.900 3.795 487 H ARG 56 HN ARG 56 -13.461 1.504 1.547 488 HA ARG 56 HA ARG 56 -15.116 2.718 -0.543 489 HB2 ARG 56 HB2 ARG 56 -16.613 1.104 -0.876 490 HB3 ARG 56 HB3 ARG 56 -15.185 0.128 -0.601 491 HG2 ARG 56 HG2 ARG 56 -16.063 -0.170 1.815 492 HG3 ARG 56 HG3 ARG 56 -17.561 0.578 1.204 493 HD2 ARG 56 HD2 ARG 56 -17.329 -1.210 -0.730 494 HD3 ARG 56 HD3 ARG 56 -16.254 -2.046 0.402 495 HE ARG 56 HE ARG 56 -18.831 -1.277 1.511 496 HH11 ARG 56 HH11 ARG 56 -17.262 -3.831 -0.505 497 HH12 ARG 56 HH12 ARG 56 -18.459 -4.991 -0.112 498 HH21 ARG 56 HH21 ARG 56 -20.556 -2.773 1.681 499 HH22 ARG 56 HH22 ARG 56 -20.457 -4.299 0.903 500 H GLU 57 HN GLU 57 -16.459 4.165 0.174 501 HA GLU 57 HA GLU 57 -16.849 4.635 3.099 502 HB2 GLU 57 HB2 GLU 57 -15.628 6.498 2.180 503 HB3 GLU 57 HB3 GLU 57 -16.602 6.537 0.719 504 HG2 GLU 57 HG2 GLU 57 -18.003 6.907 3.368 505 HG3 GLU 57 HG3 GLU 57 -16.970 8.198 2.800 506 H GLY 58 HN GLY 58 -18.829 3.781 3.463 507 HA2 GLY 58 HA1 GLY 58 -20.964 3.015 3.185 508 HA3 GLY 58 HA2 GLY 58 -21.248 4.583 2.411 509 H SER 59 HN SER 59 -21.581 4.646 0.259 510 HA SER 59 HA SER 59 -21.851 2.033 -1.102 511 HB2 SER 59 HB2 SER 59 -23.743 3.842 -0.469 512 HB3 SER 59 HB3 SER 59 -23.334 4.427 -2.082 513 HG SER 59 HG SER 59 -24.057 2.621 -2.937 514 H LYS 60 HN LYS 60 -19.521 4.418 -1.201 515 HA LYS 60 HA LYS 60 -19.071 3.980 -4.126 516 HB2 LYS 60 HB2 LYS 60 -19.267 6.328 -3.767 517 HB3 LYS 60 HB3 LYS 60 -18.175 6.276 -2.376 518 HG2 LYS 60 HG2 LYS 60 -16.374 6.092 -3.700 519 HG3 LYS 60 HG3 LYS 60 -17.197 5.272 -5.023 520 HD2 LYS 60 HD2 LYS 60 -16.368 7.410 -5.717 521 HD3 LYS 60 HD3 LYS 60 -18.133 7.365 -5.812 522 HE2 LYS 60 HE2 LYS 60 -18.387 8.795 -3.931 523 HE3 LYS 60 HE3 LYS 60 -16.714 8.556 -3.399 524 HZ1 LYS 60 HZ1 LYS 60 -17.371 10.680 -4.710 525 HZ2 LYS 60 HZ2 LYS 60 -17.146 9.722 -6.047 526 HZ3 LYS 60 HZ3 LYS 60 -15.926 9.948 -4.996 527 H GLU 61 HN GLU 61 -17.279 3.024 -4.695 528 HA GLU 61 HA GLU 61 -15.151 2.308 -2.732 529 HB2 GLU 61 HB2 GLU 61 -16.337 0.779 -4.990 530 HB3 GLU 61 HB3 GLU 61 -14.577 0.969 -5.115 531 HG2 GLU 61 HG2 GLU 61 -14.332 0.117 -2.793 532 HG3 GLU 61 HG3 GLU 61 -16.083 -0.139 -2.736 533 H PHE 62 HN PHE 62 -13.076 3.081 -3.262 534 HA PHE 62 HA PHE 62 -12.501 4.360 -5.828 535 HB2 PHE 62 HB2 PHE 62 -11.717 6.446 -4.727 536 HB3 PHE 62 HB3 PHE 62 -13.457 6.251 -4.645 537 HD1 PHE 62 HD2 PHE 62 -14.544 5.469 -2.493 538 HD2 PHE 62 HD1 PHE 62 -10.403 6.660 -2.660 539 HE1 PHE 62 HE2 PHE 62 -14.535 5.727 -0.061 540 HE2 PHE 62 HE1 PHE 62 -10.393 6.926 -0.190 541 HZ PHE 62 HZ PHE 62 -12.449 6.413 1.133 542 H GLY 63 HN GLY 63 -10.100 4.598 -6.031 543 HA2 GLY 63 HA1 GLY 63 -8.626 2.687 -4.387 544 HA3 GLY 63 HA2 GLY 63 -8.111 3.500 -5.863 545 H VAL 64 HN VAL 64 -6.737 3.139 -3.201 546 HA VAL 64 HA VAL 64 -5.620 5.915 -3.395 547 HB VAL 64 HB VAL 64 -4.710 5.478 -1.030 548 HG11 VAL 64 HG11 VAL 64 -7.561 6.210 -1.614 549 HG12 VAL 64 HG12 VAL 64 -6.965 6.144 0.053 550 HG13 VAL 64 HG13 VAL 64 -6.177 7.200 -1.120 551 HG21 VAL 64 HG21 VAL 64 -6.077 4.087 0.458 552 HG22 VAL 64 HG22 VAL 64 -6.953 3.459 -0.955 553 HG23 VAL 64 HG23 VAL 64 -5.235 3.121 -0.765 554 H PHE 65 HN PHE 65 -3.282 6.014 -3.183 555 HA PHE 65 HA PHE 65 -1.887 3.347 -3.484 556 HB2 PHE 65 HB2 PHE 65 -1.410 5.935 -4.972 557 HB3 PHE 65 HB3 PHE 65 -0.338 4.575 -4.987 558 HD1 PHE 65 HD1 PHE 65 -3.663 5.882 -5.992 559 HD2 PHE 65 HD2 PHE 65 -1.058 2.449 -6.165 560 HE1 PHE 65 HE1 PHE 65 -5.089 4.900 -7.767 561 HE2 PHE 65 HE2 PHE 65 -2.524 1.466 -7.940 562 HZ PHE 65 HZ PHE 65 -4.514 2.696 -8.741 563 H VAL 66 HN VAL 66 -1.359 3.146 -1.383 564 HA VAL 66 HA VAL 66 0.107 4.827 0.363 565 HB VAL 66 HB VAL 66 0.145 1.851 -0.264 566 HG11 VAL 66 HG11 VAL 66 1.763 3.279 1.878 567 HG12 VAL 66 HG12 VAL 66 1.451 1.536 1.833 568 HG13 VAL 66 HG13 VAL 66 2.370 2.273 0.540 569 HG21 VAL 66 HG21 VAL 66 -0.956 1.664 1.927 570 HG22 VAL 66 HG22 VAL 66 -0.851 3.419 2.157 571 HG23 VAL 66 HG23 VAL 66 -1.865 2.727 0.870 572 H THR 67 HN THR 67 2.188 5.596 0.347 573 HA THR 67 HA THR 67 3.959 4.821 -1.887 574 HB THR 67 HB THR 67 3.493 7.598 -0.776 575 HG1 THR 67 HG1 THR 67 1.734 6.521 -2.115 576 HG21 THR 67 HG21 THR 67 5.714 7.234 -1.771 577 HG22 THR 67 HG22 THR 67 4.736 8.323 -2.769 578 HG23 THR 67 HG23 THR 67 4.963 6.626 -3.256 579 H ILE 68 HN ILE 68 5.925 4.086 -1.086 580 HA ILE 68 HA ILE 68 6.791 4.800 1.680 581 HB ILE 68 HB ILE 68 6.554 1.971 0.571 582 HG12 ILE 68 HG12 ILE 68 5.088 3.127 2.982 583 HG13 ILE 68 HG13 ILE 68 4.363 2.967 1.397 584 HG21 ILE 68 HG21 ILE 68 7.408 1.324 2.853 585 HG22 ILE 68 HG22 ILE 68 8.571 2.245 1.927 586 HG23 ILE 68 HG23 ILE 68 7.666 3.049 3.212 587 HD11 ILE 68 HD11 ILE 68 5.349 0.601 3.055 588 HD12 ILE 68 HD12 ILE 68 3.681 1.085 2.790 589 HD13 ILE 68 HD13 ILE 68 4.665 0.517 1.427 590 H SER 69 HN SER 69 9.013 5.227 1.522 591 HA SER 69 HA SER 69 10.595 3.847 -0.578 592 HB2 SER 69 HB2 SER 69 10.907 6.750 0.318 593 HB3 SER 69 HB3 SER 69 12.126 5.829 -0.590 594 HG SER 69 HG SER 69 10.929 6.923 -2.076 595 H PHE 70 HN PHE 70 12.336 2.789 0.307 596 HA PHE 70 HA PHE 70 13.173 3.382 3.064 597 HB2 PHE 70 HB2 PHE 70 12.718 1.172 3.851 598 HB3 PHE 70 HB3 PHE 70 11.235 1.764 3.184 599 HD1 PHE 70 HD2 PHE 70 10.632 0.831 0.753 600 HD2 PHE 70 HD1 PHE 70 13.889 -0.688 3.090 601 HE1 PHE 70 HE2 PHE 70 10.666 -1.232 -0.606 602 HE2 PHE 70 HE1 PHE 70 13.926 -2.769 1.724 603 HZ PHE 70 HZ PHE 70 12.315 -3.038 -0.135 604 H ASP 71 HN ASP 71 14.991 1.610 3.548 605 HA ASP 71 HA ASP 71 16.741 1.576 1.129 606 HB2 ASP 71 HB2 ASP 71 17.099 2.550 3.784 607 HB3 ASP 71 HB3 ASP 71 18.192 1.184 3.593 608 HA PRO 72 HA PRO 72 16.967 -2.896 1.531 609 HB2 PRO 72 HB2 PRO 72 19.179 -3.438 0.034 610 HB3 PRO 72 HB3 PRO 72 17.593 -3.002 -0.666 611 HG2 PRO 72 HG2 PRO 72 19.949 -1.148 -0.160 612 HG3 PRO 72 HG3 PRO 72 18.973 -1.316 -1.657 613 HD2 PRO 72 HD2 PRO 72 18.449 0.630 0.114 614 HD3 PRO 72 HD3 PRO 72 17.111 -0.247 -0.668 615 H TYR 73 HN TYR 73 19.494 -0.679 2.528 616 HA TYR 73 HA TYR 73 21.477 -2.320 3.454 617 HB2 TYR 73 HB2 TYR 73 20.531 0.430 4.234 618 HB3 TYR 73 HB3 TYR 73 21.718 -0.367 5.256 619 HD1 TYR 73 HD2 TYR 73 21.075 0.335 1.597 620 HD2 TYR 73 HD1 TYR 73 24.007 -0.254 4.721 621 HE1 TYR 73 HE2 TYR 73 22.875 0.676 -0.019 622 HE2 TYR 73 HE1 TYR 73 25.816 0.178 3.108 623 HH TYR 73 HH TYR 73 26.303 0.298 0.763 624 H SER 74 HN SER 74 18.803 -1.105 5.522 625 HA SER 74 HA SER 74 18.535 -3.713 6.776 626 HB2 SER 74 HB2 SER 74 20.058 -1.543 8.109 627 HB3 SER 74 HB3 SER 74 18.771 -2.221 9.118 628 HG SER 74 HG SER 74 20.915 -3.343 9.099 629 H GLN 75 HN GLN 75 16.925 -1.795 5.139 630 HA GLN 75 HA GLN 75 14.841 -0.907 5.043 631 HB2 GLN 75 HB2 GLN 75 14.370 -3.148 7.033 632 HB3 GLN 75 HB3 GLN 75 13.099 -2.020 6.615 633 HG2 GLN 75 HG2 GLN 75 12.710 -3.826 5.229 634 HG3 GLN 75 HG3 GLN 75 13.403 -2.596 4.205 635 HE21 GLN 75 HE21 GLN 75 15.764 -2.757 3.582 636 HE22 GLN 75 HE22 GLN 75 16.327 -4.403 3.343 637 H LYS 76 HN LYS 76 16.395 0.906 5.986 638 HA LYS 76 HA LYS 76 15.031 2.203 8.255 639 HB2 LYS 76 HB2 LYS 76 16.850 3.204 6.008 640 HB3 LYS 76 HB3 LYS 76 15.927 4.282 7.052 641 HG2 LYS 76 HG2 LYS 76 17.144 2.662 8.917 642 HG3 LYS 76 HG3 LYS 76 18.369 2.729 7.619 643 HD2 LYS 76 HD2 LYS 76 18.125 5.239 7.641 644 HD3 LYS 76 HD3 LYS 76 17.059 5.071 9.062 645 HE2 LYS 76 HE2 LYS 76 18.910 3.876 10.267 646 HE3 LYS 76 HE3 LYS 76 19.912 3.977 8.819 647 HZ1 LYS 76 HZ1 LYS 76 20.653 5.607 10.197 648 HZ2 LYS 76 HZ2 LYS 76 19.198 6.132 10.661 649 HZ3 LYS 76 HZ3 LYS 76 19.737 6.466 9.122 650 H VAL 77 HN VAL 77 13.085 3.063 7.968 651 HA VAL 77 HA VAL 77 11.824 3.369 5.306 652 HB VAL 77 HB VAL 77 11.114 4.835 7.845 653 HG11 VAL 77 HG11 VAL 77 9.399 3.987 5.479 654 HG12 VAL 77 HG12 VAL 77 8.871 4.921 6.902 655 HG13 VAL 77 HG13 VAL 77 10.031 5.620 5.773 656 HG21 VAL 77 HG21 VAL 77 11.130 2.457 8.462 657 HG22 VAL 77 HG22 VAL 77 9.502 3.116 8.449 658 HG23 VAL 77 HG23 VAL 77 10.057 2.098 7.103 659 H ASN 78 HN ASN 78 12.076 5.162 4.063 660 HA ASN 78 HA ASN 78 13.875 7.334 5.035 661 HB2 ASN 78 HB2 ASN 78 13.332 6.369 2.207 662 HB3 ASN 78 HB3 ASN 78 14.268 7.798 2.649 663 HD21 ASN 78 HD21 ASN 78 15.237 5.257 1.255 664 HD22 ASN 78 HD22 ASN 78 16.514 4.661 2.282 665 H LYS 79 HN LYS 79 10.886 6.705 3.030 666 HA LYS 79 HA LYS 79 9.621 8.830 4.577 667 HB2 LYS 79 HB2 LYS 79 10.390 9.255 1.735 668 HB3 LYS 79 HB3 LYS 79 8.673 9.446 2.013 669 HG2 LYS 79 HG2 LYS 79 9.397 10.944 4.068 670 HG3 LYS 79 HG3 LYS 79 10.955 11.004 3.237 671 HD2 LYS 79 HD2 LYS 79 9.718 12.935 2.575 672 HD3 LYS 79 HD3 LYS 79 9.696 11.836 1.180 673 HE2 LYS 79 HE2 LYS 79 7.436 11.103 1.706 674 HE3 LYS 79 HE3 LYS 79 7.458 11.986 3.242 675 HZ1 LYS 79 HZ1 LYS 79 7.493 14.050 2.015 676 HZ2 LYS 79 HZ2 LYS 79 6.237 13.132 1.542 677 HZ3 LYS 79 HZ3 LYS 79 7.547 13.254 0.567 678 H ILE 80 HN ILE 80 7.279 8.939 4.195 679 HA ILE 80 HA ILE 80 6.070 6.774 2.705 680 HB ILE 80 HB ILE 80 5.223 7.390 5.572 681 HG12 ILE 80 HG12 ILE 80 6.639 4.937 4.444 682 HG13 ILE 80 HG13 ILE 80 7.310 6.114 5.585 683 HG21 ILE 80 HG21 ILE 80 3.578 5.586 5.313 684 HG22 ILE 80 HG22 ILE 80 3.320 6.740 4.049 685 HG23 ILE 80 HG23 ILE 80 4.164 5.239 3.670 686 HD11 ILE 80 HD11 ILE 80 5.594 5.482 7.245 687 HD12 ILE 80 HD12 ILE 80 5.064 4.183 6.130 688 HD13 ILE 80 HD13 ILE 80 6.701 4.160 6.787 689 H ALA 81 HN ALA 81 3.957 7.483 1.955 690 HA ALA 81 HA ALA 81 2.734 9.916 2.788 691 HB1 ALA 81 HB1 ALA 81 2.729 10.964 0.524 692 HB2 ALA 81 HB2 ALA 81 4.388 10.844 1.160 693 HB3 ALA 81 HB3 ALA 81 3.818 9.701 -0.066 694 H ILE 82 HN ILE 82 0.609 10.088 1.398 695 HA ILE 82 HA ILE 82 -0.095 7.492 0.134 696 HB ILE 82 HB ILE 82 -1.832 9.202 1.954 697 HG12 ILE 82 HG12 ILE 82 -0.580 6.451 2.230 698 HG13 ILE 82 HG13 ILE 82 -0.324 7.860 3.254 699 HG21 ILE 82 HG21 ILE 82 -3.559 7.370 1.551 700 HG22 ILE 82 HG22 ILE 82 -3.271 8.388 0.187 701 HG23 ILE 82 HG23 ILE 82 -2.530 6.768 0.238 702 HD11 ILE 82 HD11 ILE 82 -2.712 6.015 3.226 703 HD12 ILE 82 HD12 ILE 82 -1.678 6.465 4.568 704 HD13 ILE 82 HD13 ILE 82 -2.811 7.656 3.897 705 H LEU 83 HN LEU 83 -1.857 7.808 -1.477 706 HA LEU 83 HA LEU 83 -2.123 10.448 -2.727 707 HB2 LEU 83 HB2 LEU 83 -0.332 9.099 -3.920 708 HB3 LEU 83 HB3 LEU 83 -1.455 7.804 -4.092 709 HG LEU 83 HG LEU 83 -0.917 9.298 -6.055 710 HD11 LEU 83 HD11 LEU 83 -2.518 7.664 -6.363 711 HD12 LEU 83 HD12 LEU 83 -3.180 9.145 -7.056 712 HD13 LEU 83 HD13 LEU 83 -3.776 8.563 -5.495 713 HD21 LEU 83 HD21 LEU 83 -3.103 11.119 -4.994 714 HD22 LEU 83 HD22 LEU 83 -2.125 11.318 -6.449 715 HD23 LEU 83 HD23 LEU 83 -1.367 11.492 -4.863 716 H GLU 84 HN GLU 84 -4.275 10.602 -3.455 717 HA GLU 84 HA GLU 84 -6.025 8.212 -3.010 718 HB2 GLU 84 HB2 GLU 84 -6.360 10.416 -1.535 719 HB3 GLU 84 HB3 GLU 84 -7.147 10.997 -3.012 720 HG2 GLU 84 HG2 GLU 84 -8.441 8.658 -2.871 721 HG3 GLU 84 HG3 GLU 84 -7.833 8.647 -1.231 722 H GLU 85 HN GLU 85 -7.353 7.652 -4.627 723 HA GLU 85 HA GLU 85 -7.334 8.884 -7.263 724 HB2 GLU 85 HB2 GLU 85 -7.900 6.496 -6.728 725 HB3 GLU 85 HB3 GLU 85 -9.350 7.093 -5.882 726 HG2 GLU 85 HG2 GLU 85 -10.039 8.178 -8.047 727 HG3 GLU 85 HG3 GLU 85 -8.715 7.315 -8.845 728 H TYR 86 HN TYR 86 -8.799 10.543 -7.971 729 HA TYR 86 HA TYR 86 -11.089 11.243 -6.405 730 HB2 TYR 86 HB2 TYR 86 -10.538 13.620 -6.153 731 HB3 TYR 86 HB3 TYR 86 -9.498 12.609 -5.185 732 HD1 TYR 86 HD1 TYR 86 -7.112 12.363 -5.737 733 HD2 TYR 86 HD2 TYR 86 -9.662 14.966 -8.041 734 HE1 TYR 86 HE1 TYR 86 -5.103 13.469 -6.695 735 HE2 TYR 86 HE2 TYR 86 -7.666 16.153 -8.908 736 HH TYR 86 HH TYR 86 -5.067 16.505 -8.070 737 H GLN 87 HN GLN 87 -12.455 12.762 -7.663 738 HA GLN 87 HA GLN 87 -11.847 12.730 -10.572 739 HB2 GLN 87 HB2 GLN 87 -14.446 11.890 -9.222 740 HB3 GLN 87 HB3 GLN 87 -14.312 12.384 -10.908 741 HG2 GLN 87 HG2 GLN 87 -14.166 10.123 -11.131 742 HG3 GLN 87 HG3 GLN 87 -12.474 10.595 -11.158 743 HE21 GLN 87 HE21 GLN 87 -11.391 8.858 -10.256 744 HE22 GLN 87 HE22 GLN 87 -11.939 7.912 -8.903 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 -15.660 -14.510 2.935 2 HA2 GLY 1 HA1 GLY 1 -17.193 -15.524 1.251 3 HA3 GLY 1 HA2 GLY 1 -17.375 -13.889 0.592 4 H GLU 2 HN GLU 2 -16.096 -13.471 -1.150 5 HA GLU 2 HA GLU 2 -13.526 -14.820 -1.544 6 HB2 GLU 2 HB2 GLU 2 -13.198 -13.230 -3.325 7 HB3 GLU 2 HB3 GLU 2 -14.830 -13.892 -3.436 8 HG2 GLU 2 HG2 GLU 2 -15.676 -11.840 -2.234 9 HG3 GLU 2 HG3 GLU 2 -14.049 -11.161 -2.313 10 H GLU 3 HN GLU 3 -11.551 -13.113 -1.749 11 HA GLU 3 HA GLU 3 -11.627 -11.209 0.541 12 HB2 GLU 3 HB2 GLU 3 -9.364 -13.169 -0.053 13 HB3 GLU 3 HB3 GLU 3 -9.282 -11.811 1.066 14 HG2 GLU 3 HG2 GLU 3 -11.130 -12.775 2.402 15 HG3 GLU 3 HG3 GLU 3 -11.197 -14.163 1.307 16 H THR 4 HN THR 4 -9.328 -12.268 -2.062 17 HA THR 4 HA THR 4 -9.454 -9.605 -3.283 18 HB THR 4 HB THR 4 -6.703 -10.012 -2.965 19 HG1 THR 4 HG1 THR 4 -7.778 -10.132 -0.366 20 HG21 THR 4 HG21 THR 4 -8.712 -8.251 -1.508 21 HG22 THR 4 HG22 THR 4 -7.645 -7.836 -2.866 22 HG23 THR 4 HG23 THR 4 -6.968 -8.115 -1.254 23 HA PRO 5 HA PRO 5 -8.911 -11.984 -6.854 24 HB2 PRO 5 HB2 PRO 5 -7.769 -10.390 -8.671 25 HB3 PRO 5 HB3 PRO 5 -9.296 -9.939 -7.887 26 HG2 PRO 5 HG2 PRO 5 -6.493 -9.089 -6.996 27 HG3 PRO 5 HG3 PRO 5 -7.883 -8.010 -7.422 28 HD2 PRO 5 HD2 PRO 5 -7.409 -8.731 -4.883 29 HD3 PRO 5 HD3 PRO 5 -9.086 -8.724 -5.502 30 H LEU 6 HN LEU 6 -7.487 -13.456 -5.592 31 HA LEU 6 HA LEU 6 -4.899 -13.946 -6.872 32 HB2 LEU 6 HB2 LEU 6 -3.999 -14.306 -4.451 33 HB3 LEU 6 HB3 LEU 6 -3.936 -12.753 -5.256 34 HG LEU 6 HG LEU 6 -5.894 -11.965 -3.964 35 HD11 LEU 6 HD11 LEU 6 -5.617 -14.568 -2.400 36 HD12 LEU 6 HD12 LEU 6 -7.018 -14.083 -3.347 37 HD13 LEU 6 HD13 LEU 6 -6.589 -13.158 -1.902 38 HD21 LEU 6 HD21 LEU 6 -3.587 -12.982 -2.288 39 HD22 LEU 6 HD22 LEU 6 -4.669 -11.608 -1.924 40 HD23 LEU 6 HD23 LEU 6 -3.593 -11.546 -3.327 41 H VAL 7 HN VAL 7 -6.272 -15.627 -7.785 42 HA VAL 7 HA VAL 7 -7.467 -17.626 -6.168 43 HB VAL 7 HB VAL 7 -7.852 -17.175 -8.602 44 HG11 VAL 7 HG11 VAL 7 -5.423 -18.952 -9.073 45 HG12 VAL 7 HG12 VAL 7 -6.516 -18.253 -10.280 46 HG13 VAL 7 HG13 VAL 7 -5.456 -17.194 -9.338 47 HG21 VAL 7 HG21 VAL 7 -8.351 -19.503 -9.185 48 HG22 VAL 7 HG22 VAL 7 -7.368 -20.077 -7.829 49 HG23 VAL 7 HG23 VAL 7 -8.840 -19.118 -7.532 50 H THR 8 HN THR 8 -4.108 -16.997 -6.896 51 HA THR 8 HA THR 8 -3.366 -18.839 -4.785 52 HB THR 8 HB THR 8 -2.200 -19.145 -7.580 53 HG1 THR 8 HG1 THR 8 -4.207 -20.388 -6.353 54 HG21 THR 8 HG21 THR 8 -0.759 -20.887 -6.601 55 HG22 THR 8 HG22 THR 8 -1.392 -20.503 -4.981 56 HG23 THR 8 HG23 THR 8 -0.441 -19.295 -5.875 57 H ALA 9 HN ALA 9 -2.628 -17.064 -3.624 58 HA ALA 9 HA ALA 9 0.089 -16.528 -3.960 59 HB1 ALA 9 HB1 ALA 9 -1.656 -14.144 -4.673 60 HB2 ALA 9 HB2 ALA 9 0.059 -14.033 -4.216 61 HB3 ALA 9 HB3 ALA 9 -0.410 -14.920 -5.664 62 H ARG 10 HN ARG 10 -0.266 -17.441 -1.829 63 HA ARG 10 HA ARG 10 -1.215 -15.539 0.261 64 HB2 ARG 10 HB2 ARG 10 -0.097 -18.371 0.517 65 HB3 ARG 10 HB3 ARG 10 -0.670 -17.351 1.838 66 HG2 ARG 10 HG2 ARG 10 -2.946 -17.295 0.780 67 HG3 ARG 10 HG3 ARG 10 -2.373 -18.459 -0.432 68 HD2 ARG 10 HD2 ARG 10 -1.844 -20.066 1.401 69 HD3 ARG 10 HD3 ARG 10 -2.456 -18.902 2.579 70 HE ARG 10 HE ARG 10 -4.039 -20.308 0.469 71 HH11 ARG 10 HH11 ARG 10 -3.983 -18.976 3.790 72 HH12 ARG 10 HH12 ARG 10 -5.694 -19.180 4.008 73 HH21 ARG 10 HH21 ARG 10 -6.218 -20.822 0.943 74 HH22 ARG 10 HH22 ARG 10 -6.796 -20.559 2.552 75 H HIS 11 HN HIS 11 0.742 -15.920 2.145 76 HA HIS 11 HA HIS 11 2.681 -15.206 2.897 77 HB2 HIS 11 HB2 HIS 11 3.404 -17.162 1.359 78 HB3 HIS 11 HB3 HIS 11 4.075 -15.916 0.320 79 HD1 HIS 11 HD1 HIS 11 5.399 -18.221 2.518 80 HD2 HIS 11 HD2 HIS 11 5.533 -14.014 2.405 81 HE1 HIS 11 HE1 HIS 11 7.411 -17.521 3.932 82 H MET 12 HN MET 12 1.789 -13.170 3.012 83 HA MET 12 HA MET 12 2.181 -11.210 0.947 84 HB2 MET 12 HB2 MET 12 1.377 -10.876 3.845 85 HB3 MET 12 HB3 MET 12 1.358 -9.629 2.593 86 HG2 MET 12 HG2 MET 12 -0.184 -11.131 1.234 87 HG3 MET 12 HG3 MET 12 -0.366 -12.095 2.697 88 HE1 MET 12 HE1 MET 12 -0.075 -8.194 2.064 89 HE2 MET 12 HE2 MET 12 -1.429 -8.502 0.967 90 HE3 MET 12 HE3 MET 12 -1.667 -7.594 2.484 91 H SER 13 HN SER 13 3.204 -8.935 2.404 92 HA SER 13 HA SER 13 6.104 -9.640 2.325 93 HB2 SER 13 HB2 SER 13 4.371 -7.877 0.663 94 HB3 SER 13 HB3 SER 13 5.838 -7.100 1.235 95 HG SER 13 HG SER 13 6.162 -8.226 -0.746 96 H LYS 14 HN LYS 14 7.550 -7.891 3.167 97 HA LYS 14 HA LYS 14 6.931 -7.284 5.842 98 HB2 LYS 14 HB2 LYS 14 9.241 -7.322 5.107 99 HB3 LYS 14 HB3 LYS 14 8.958 -6.024 3.949 100 HG2 LYS 14 HG2 LYS 14 10.170 -5.107 5.783 101 HG3 LYS 14 HG3 LYS 14 8.565 -4.424 5.827 102 HD2 LYS 14 HD2 LYS 14 8.416 -6.723 7.506 103 HD3 LYS 14 HD3 LYS 14 10.008 -6.054 7.794 104 HE2 LYS 14 HE2 LYS 14 8.921 -4.816 9.336 105 HE3 LYS 14 HE3 LYS 14 8.603 -3.753 7.960 106 HZ1 LYS 14 HZ1 LYS 14 6.434 -4.940 7.747 107 HZ2 LYS 14 HZ2 LYS 14 6.595 -4.183 9.203 108 HZ3 LYS 14 HZ3 LYS 14 6.799 -5.811 9.096 109 H TRP 15 HN TRP 15 6.573 -5.237 2.985 110 HA TRP 15 HA TRP 15 5.825 -2.951 4.634 111 HB2 TRP 15 HB2 TRP 15 6.297 -3.241 1.650 112 HB3 TRP 15 HB3 TRP 15 6.069 -1.721 2.520 113 HD1 TRP 15 HD1 TRP 15 8.695 -4.410 1.825 114 HE1 TRP 15 HE1 TRP 15 10.947 -3.771 2.850 115 HE3 TRP 15 HE3 TRP 15 7.215 -0.258 4.502 116 HZ2 TRP 15 HZ2 TRP 15 11.946 -1.680 4.580 117 HZ3 TRP 15 HZ3 TRP 15 8.844 0.981 5.853 118 HH2 TRP 15 HH2 TRP 15 11.234 0.253 5.924 119 H GLU 16 HN GLU 16 3.965 -5.464 3.672 120 HA GLU 16 HA GLU 16 1.829 -4.105 2.298 121 HB2 GLU 16 HB2 GLU 16 0.753 -6.230 2.349 122 HB3 GLU 16 HB3 GLU 16 2.452 -6.505 2.091 123 HG2 GLU 16 HG2 GLU 16 2.237 -8.069 3.659 124 HG3 GLU 16 HG3 GLU 16 2.504 -6.758 4.764 125 H GLU 17 HN GLU 17 2.247 -5.263 5.669 126 HA GLU 17 HA GLU 17 -0.215 -4.299 6.675 127 HB2 GLU 17 HB2 GLU 17 2.425 -5.182 7.750 128 HB3 GLU 17 HB3 GLU 17 1.584 -4.065 8.799 129 HG2 GLU 17 HG2 GLU 17 -0.233 -6.172 7.817 130 HG3 GLU 17 HG3 GLU 17 1.198 -6.826 8.607 131 H ILE 18 HN ILE 18 2.953 -2.777 6.335 132 HA ILE 18 HA ILE 18 2.393 -0.316 7.664 133 HB ILE 18 HB ILE 18 4.374 -0.920 5.419 134 HG12 ILE 18 HG12 ILE 18 4.737 -1.083 8.450 135 HG13 ILE 18 HG13 ILE 18 4.620 -2.472 7.380 136 HG21 ILE 18 HG21 ILE 18 5.656 1.004 6.298 137 HG22 ILE 18 HG22 ILE 18 4.061 1.501 5.805 138 HG23 ILE 18 HG23 ILE 18 4.398 1.288 7.532 139 HD11 ILE 18 HD11 ILE 18 6.924 -2.165 7.886 140 HD12 ILE 18 HD12 ILE 18 6.656 -1.779 6.195 141 HD13 ILE 18 HD13 ILE 18 6.892 -0.472 7.388 142 H ALA 19 HN ALA 19 1.968 -1.407 4.256 143 HA ALA 19 HA ALA 19 0.871 1.055 3.335 144 HB1 ALA 19 HB1 ALA 19 0.103 -0.159 1.414 145 HB2 ALA 19 HB2 ALA 19 1.733 -0.713 1.833 146 HB3 ALA 19 HB3 ALA 19 0.321 -1.721 2.222 147 H VAL 20 HN VAL 20 -0.917 -2.016 4.221 148 HA VAL 20 HA VAL 20 -3.432 -0.843 3.952 149 HB VAL 20 HB VAL 20 -2.588 -3.094 5.859 150 HG11 VAL 20 HG11 VAL 20 -5.332 -2.471 4.674 151 HG12 VAL 20 HG12 VAL 20 -4.936 -3.910 5.617 152 HG13 VAL 20 HG13 VAL 20 -4.883 -2.302 6.378 153 HG21 VAL 20 HG21 VAL 20 -2.062 -3.520 3.367 154 HG22 VAL 20 HG22 VAL 20 -3.096 -4.698 4.178 155 HG23 VAL 20 HG23 VAL 20 -3.817 -3.489 3.114 156 H LYS 21 HN LYS 21 -1.386 -0.893 6.929 157 HA LYS 21 HA LYS 21 -3.428 0.077 8.645 158 HB2 LYS 21 HB2 LYS 21 -0.385 0.235 8.772 159 HB3 LYS 21 HB3 LYS 21 -1.444 0.909 10.023 160 HG2 LYS 21 HG2 LYS 21 -2.495 -1.288 10.375 161 HG3 LYS 21 HG3 LYS 21 -1.439 -2.031 9.175 162 HD2 LYS 21 HD2 LYS 21 0.542 -1.510 10.497 163 HD3 LYS 21 HD3 LYS 21 -0.420 -0.521 11.610 164 HE2 LYS 21 HE2 LYS 21 -1.832 -2.691 11.966 165 HE3 LYS 21 HE3 LYS 21 -0.435 -3.545 11.294 166 HZ1 LYS 21 HZ1 LYS 21 -0.424 -1.727 13.626 167 HZ2 LYS 21 HZ2 LYS 21 0.887 -2.574 13.096 168 HZ3 LYS 21 HZ3 LYS 21 -0.440 -3.353 13.721 169 H GLU 22 HN GLU 22 -0.782 1.975 6.975 170 HA GLU 22 HA GLU 22 -1.846 4.462 7.869 171 HB2 GLU 22 HB2 GLU 22 -0.257 3.824 5.383 172 HB3 GLU 22 HB3 GLU 22 -0.586 5.458 5.997 173 HG2 GLU 22 HG2 GLU 22 1.084 3.324 7.318 174 HG3 GLU 22 HG3 GLU 22 1.643 4.844 6.650 175 H ALA 23 HN ALA 23 -2.728 2.422 5.119 176 HA ALA 23 HA ALA 23 -4.463 4.320 3.850 177 HB1 ALA 23 HB1 ALA 23 -4.441 1.290 3.642 178 HB2 ALA 23 HB2 ALA 23 -5.234 2.424 2.531 179 HB3 ALA 23 HB3 ALA 23 -3.465 2.414 2.661 180 H LYS 24 HN LYS 24 -5.000 2.594 6.842 181 HA LYS 24 HA LYS 24 -7.834 3.528 6.599 182 HB2 LYS 24 HB2 LYS 24 -8.418 2.314 8.531 183 HB3 LYS 24 HB3 LYS 24 -7.697 1.240 7.326 184 HG2 LYS 24 HG2 LYS 24 -5.846 0.748 8.614 185 HG3 LYS 24 HG3 LYS 24 -5.865 2.332 9.381 186 HD2 LYS 24 HD2 LYS 24 -6.337 0.788 11.071 187 HD3 LYS 24 HD3 LYS 24 -7.817 1.712 10.731 188 HE2 LYS 24 HE2 LYS 24 -8.715 -0.150 9.418 189 HE3 LYS 24 HE3 LYS 24 -7.214 -1.077 9.655 190 HZ1 LYS 24 HZ1 LYS 24 -8.937 -1.737 11.208 191 HZ2 LYS 24 HZ2 LYS 24 -9.042 -0.192 11.801 192 HZ3 LYS 24 HZ3 LYS 24 -7.694 -1.085 12.044 193 H LYS 25 HN LYS 25 -4.790 3.980 8.334 194 HA LYS 25 HA LYS 25 -5.833 5.480 10.462 195 HB2 LYS 25 HB2 LYS 25 -3.101 5.540 9.123 196 HB3 LYS 25 HB3 LYS 25 -3.455 6.419 10.591 197 HG2 LYS 25 HG2 LYS 25 -3.986 4.378 11.806 198 HG3 LYS 25 HG3 LYS 25 -3.864 3.413 10.355 199 HD2 LYS 25 HD2 LYS 25 -1.826 3.053 11.489 200 HD3 LYS 25 HD3 LYS 25 -1.448 4.119 10.149 201 HE2 LYS 25 HE2 LYS 25 -0.295 5.133 11.877 202 HE3 LYS 25 HE3 LYS 25 -1.781 6.076 11.865 203 HZ1 LYS 25 HZ1 LYS 25 -1.063 5.348 14.082 204 HZ2 LYS 25 HZ2 LYS 25 -1.226 3.782 13.641 205 HZ3 LYS 25 HZ3 LYS 25 -2.568 4.767 13.732 206 H ARG 26 HN ARG 26 -4.587 6.599 7.310 207 HA ARG 26 HA ARG 26 -5.210 9.385 7.935 208 HB2 ARG 26 HB2 ARG 26 -3.121 8.610 6.799 209 HB3 ARG 26 HB3 ARG 26 -4.073 8.118 5.400 210 HG2 ARG 26 HG2 ARG 26 -4.506 10.306 4.766 211 HG3 ARG 26 HG3 ARG 26 -4.364 10.943 6.415 212 HD2 ARG 26 HD2 ARG 26 -1.936 10.775 6.314 213 HD3 ARG 26 HD3 ARG 26 -2.031 9.989 4.739 214 HE ARG 26 HE ARG 26 -3.432 12.493 4.783 215 HH11 ARG 26 HH11 ARG 26 -0.075 11.269 4.498 216 HH12 ARG 26 HH12 ARG 26 0.358 12.468 3.323 217 HH21 ARG 26 HH21 ARG 26 -2.725 14.168 3.408 218 HH22 ARG 26 HH22 ARG 26 -1.041 14.306 2.969 219 H TYR 27 HN TYR 27 -7.528 7.428 7.763 220 HA TYR 27 HA TYR 27 -9.075 8.697 5.622 221 HB2 TYR 27 HB2 TYR 27 -8.562 5.720 5.834 222 HB3 TYR 27 HB3 TYR 27 -9.916 6.452 4.967 223 HD1 TYR 27 HD1 TYR 27 -9.573 7.809 2.947 224 HD2 TYR 27 HD2 TYR 27 -6.228 6.039 5.009 225 HE1 TYR 27 HE1 TYR 27 -8.140 8.262 0.996 226 HE2 TYR 27 HE2 TYR 27 -4.751 6.561 3.093 227 HH TYR 27 HH TYR 27 -4.731 7.190 0.819 228 HA PRO 28 HA PRO 28 -10.705 8.326 9.870 229 HB2 PRO 28 HB2 PRO 28 -11.918 10.827 9.982 230 HB3 PRO 28 HB3 PRO 28 -10.220 10.477 10.416 231 HG2 PRO 28 HG2 PRO 28 -11.330 11.679 7.891 232 HG3 PRO 28 HG3 PRO 28 -9.775 12.017 8.729 233 HD2 PRO 28 HD2 PRO 28 -9.966 10.466 6.500 234 HD3 PRO 28 HD3 PRO 28 -8.698 10.293 7.736 235 H LEU 29 HN LEU 29 -12.450 9.158 6.906 236 HA LEU 29 HA LEU 29 -15.068 8.592 8.227 237 HB2 LEU 29 HB2 LEU 29 -14.333 9.733 5.514 238 HB3 LEU 29 HB3 LEU 29 -15.899 9.006 5.804 239 HG LEU 29 HG LEU 29 -16.283 10.541 7.727 240 HD11 LEU 29 HD11 LEU 29 -14.880 12.646 7.772 241 HD12 LEU 29 HD12 LEU 29 -13.712 11.833 6.707 242 HD13 LEU 29 HD13 LEU 29 -14.049 11.185 8.340 243 HD21 LEU 29 HD21 LEU 29 -16.941 12.404 6.381 244 HD22 LEU 29 HD22 LEU 29 -17.142 10.952 5.392 245 HD23 LEU 29 HD23 LEU 29 -15.758 12.033 5.129 246 H ALA 30 HN ALA 30 -12.948 7.495 5.582 247 HA ALA 30 HA ALA 30 -14.763 5.369 4.771 248 HB1 ALA 30 HB1 ALA 30 -13.414 6.761 3.214 249 HB2 ALA 30 HB2 ALA 30 -11.933 6.076 3.894 250 HB3 ALA 30 HB3 ALA 30 -13.072 5.029 3.027 251 H GLN 31 HN GLN 31 -13.876 3.124 4.428 252 HA GLN 31 HA GLN 31 -12.035 2.245 6.635 253 HB2 GLN 31 HB2 GLN 31 -14.231 0.686 5.206 254 HB3 GLN 31 HB3 GLN 31 -13.118 0.009 6.401 255 HG2 GLN 31 HG2 GLN 31 -15.331 2.020 6.850 256 HG3 GLN 31 HG3 GLN 31 -15.169 0.396 7.530 257 HE21 GLN 31 HE21 GLN 31 -14.668 3.627 8.072 258 HE22 GLN 31 HE22 GLN 31 -13.609 3.607 9.454 259 H VAL 32 HN VAL 32 -10.509 0.579 6.007 260 HA VAL 32 HA VAL 32 -10.228 0.219 3.066 261 HB VAL 32 HB VAL 32 -8.339 1.245 4.537 262 HG11 VAL 32 HG11 VAL 32 -8.337 -0.609 6.242 263 HG12 VAL 32 HG12 VAL 32 -7.693 -1.687 4.987 264 HG13 VAL 32 HG13 VAL 32 -6.765 -0.264 5.507 265 HG21 VAL 32 HG21 VAL 32 -8.079 0.755 2.197 266 HG22 VAL 32 HG22 VAL 32 -6.637 0.249 3.076 267 HG23 VAL 32 HG23 VAL 32 -7.806 -0.977 2.532 268 H LEU 33 HN LEU 33 -10.802 -1.683 2.305 269 HA LEU 33 HA LEU 33 -11.152 -4.084 4.017 270 HB2 LEU 33 HB2 LEU 33 -13.173 -4.405 2.403 271 HB3 LEU 33 HB3 LEU 33 -13.308 -3.421 3.750 272 HG LEU 33 HG LEU 33 -14.493 -2.513 2.112 273 HD11 LEU 33 HD11 LEU 33 -14.209 -0.319 2.643 274 HD12 LEU 33 HD12 LEU 33 -12.471 -0.404 2.464 275 HD13 LEU 33 HD13 LEU 33 -13.277 -1.051 3.938 276 HD21 LEU 33 HD21 LEU 33 -11.904 -2.144 0.782 277 HD22 LEU 33 HD22 LEU 33 -13.490 -1.582 0.143 278 HD23 LEU 33 HD23 LEU 33 -13.167 -3.324 0.464 279 H PHE 34 HN PHE 34 -9.526 -2.873 1.522 280 HA PHE 34 HA PHE 34 -9.221 -5.498 0.096 281 HB2 PHE 34 HB2 PHE 34 -10.159 -2.878 -0.767 282 HB3 PHE 34 HB3 PHE 34 -8.717 -3.254 -1.631 283 HD1 PHE 34 HD1 PHE 34 -8.531 -5.694 -2.629 284 HD2 PHE 34 HD2 PHE 34 -12.209 -3.698 -1.660 285 HE1 PHE 34 HE1 PHE 34 -9.721 -7.144 -4.231 286 HE2 PHE 34 HE2 PHE 34 -13.400 -5.119 -3.366 287 HZ PHE 34 HZ PHE 34 -12.148 -6.853 -4.609 288 H LYS 35 HN LYS 35 -7.170 -5.690 -1.116 289 HA LYS 35 HA LYS 35 -5.021 -3.899 -0.687 290 HB2 LYS 35 HB2 LYS 35 -3.620 -5.953 0.367 291 HB3 LYS 35 HB3 LYS 35 -4.418 -4.760 1.383 292 HG2 LYS 35 HG2 LYS 35 -6.207 -6.151 1.942 293 HG3 LYS 35 HG3 LYS 35 -5.846 -7.324 0.650 294 HD2 LYS 35 HD2 LYS 35 -3.781 -7.950 1.778 295 HD3 LYS 35 HD3 LYS 35 -4.086 -6.763 3.072 296 HE2 LYS 35 HE2 LYS 35 -6.071 -7.946 3.778 297 HE3 LYS 35 HE3 LYS 35 -6.013 -9.036 2.367 298 HZ1 LYS 35 HZ1 LYS 35 -5.079 -9.951 4.490 299 HZ2 LYS 35 HZ2 LYS 35 -3.868 -8.877 4.391 300 HZ3 LYS 35 HZ3 LYS 35 -4.030 -10.019 3.221 301 H GLN 36 HN GLN 36 -3.733 -3.986 -2.425 302 HA GLN 36 HA GLN 36 -3.005 -6.645 -3.450 303 HB2 GLN 36 HB2 GLN 36 -4.979 -5.213 -4.860 304 HB3 GLN 36 HB3 GLN 36 -3.492 -4.821 -5.727 305 HG2 GLN 36 HG2 GLN 36 -3.015 -7.369 -5.710 306 HG3 GLN 36 HG3 GLN 36 -4.680 -7.551 -5.129 307 HE21 GLN 36 HE21 GLN 36 -3.273 -8.369 -7.751 308 HE22 GLN 36 HE22 GLN 36 -4.365 -7.724 -8.954 309 H LYS 37 HN LYS 37 -1.239 -6.402 -5.218 310 HA LYS 37 HA LYS 37 0.681 -4.272 -4.463 311 HB2 LYS 37 HB2 LYS 37 2.413 -5.920 -4.107 312 HB3 LYS 37 HB3 LYS 37 1.047 -6.316 -3.061 313 HG2 LYS 37 HG2 LYS 37 0.330 -8.010 -4.889 314 HG3 LYS 37 HG3 LYS 37 1.920 -7.707 -5.623 315 HD2 LYS 37 HD2 LYS 37 2.990 -8.394 -3.501 316 HD3 LYS 37 HD3 LYS 37 1.386 -8.804 -2.861 317 HE2 LYS 37 HE2 LYS 37 1.066 -10.379 -4.804 318 HE3 LYS 37 HE3 LYS 37 2.724 -10.035 -5.318 319 HZ1 LYS 37 HZ1 LYS 37 1.893 -11.309 -2.784 320 HZ2 LYS 37 HZ2 LYS 37 3.456 -10.901 -3.145 321 HZ3 LYS 37 HZ3 LYS 37 2.643 -12.064 -3.987 322 H VAL 38 HN VAL 38 1.537 -3.383 -6.316 323 HA VAL 38 HA VAL 38 1.722 -5.009 -8.773 324 HB VAL 38 HB VAL 38 0.514 -2.249 -8.937 325 HG11 VAL 38 HG11 VAL 38 0.108 -4.770 -10.593 326 HG12 VAL 38 HG12 VAL 38 -0.470 -3.141 -10.990 327 HG13 VAL 38 HG13 VAL 38 1.265 -3.491 -10.968 328 HG21 VAL 38 HG21 VAL 38 -1.157 -4.678 -8.236 329 HG22 VAL 38 HG22 VAL 38 -1.089 -3.093 -7.411 330 HG23 VAL 38 HG23 VAL 38 -1.796 -3.257 -9.029 331 H TRP 39 HN TRP 39 3.922 -4.405 -7.133 332 HA TRP 39 HA TRP 39 5.559 -2.991 -8.958 333 HB2 TRP 39 HB2 TRP 39 4.232 -1.237 -7.199 334 HB3 TRP 39 HB3 TRP 39 5.727 -1.520 -6.380 335 HD1 TRP 39 HD1 TRP 39 4.836 -0.772 -10.122 336 HE1 TRP 39 HE1 TRP 39 6.152 1.352 -10.821 337 HE3 TRP 39 HE3 TRP 39 7.720 -0.145 -5.939 338 HZ2 TRP 39 HZ2 TRP 39 8.149 3.044 -9.744 339 HZ3 TRP 39 HZ3 TRP 39 9.401 1.640 -5.875 340 HH2 TRP 39 HH2 TRP 39 9.574 3.312 -7.704 341 H ASP 40 HN ASP 40 7.847 -3.028 -8.281 342 HA ASP 40 HA ASP 40 8.714 -4.104 -5.748 343 HB2 ASP 40 HB2 ASP 40 9.697 -6.213 -6.701 344 HB3 ASP 40 HB3 ASP 40 7.965 -6.197 -6.542 345 H ARG 41 HN ARG 41 9.344 -1.737 -7.252 346 HA ARG 41 HA ARG 41 11.848 -2.172 -8.695 347 HB2 ARG 41 HB2 ARG 41 9.882 -0.364 -9.043 348 HB3 ARG 41 HB3 ARG 41 10.798 0.537 -7.854 349 HG2 ARG 41 HG2 ARG 41 12.763 -0.283 -9.706 350 HG3 ARG 41 HG3 ARG 41 11.332 0.012 -10.696 351 HD2 ARG 41 HD2 ARG 41 11.146 2.287 -9.546 352 HD3 ARG 41 HD3 ARG 41 12.706 1.951 -8.778 353 HE ARG 41 HE ARG 41 13.733 1.804 -10.960 354 HH11 ARG 41 HH11 ARG 41 10.521 3.450 -11.012 355 HH12 ARG 41 HH12 ARG 41 10.651 3.739 -12.718 356 HH21 ARG 41 HH21 ARG 41 13.841 2.465 -13.202 357 HH22 ARG 41 HH22 ARG 41 12.445 3.296 -13.866 358 H LYS 42 HN LYS 42 13.832 -0.739 -8.081 359 HA LYS 42 HA LYS 42 13.914 0.400 -5.475 360 HB2 LYS 42 HB2 LYS 42 15.907 -0.873 -4.687 361 HB3 LYS 42 HB3 LYS 42 14.469 -1.845 -4.707 362 HG2 LYS 42 HG2 LYS 42 16.271 -1.931 -7.122 363 HG3 LYS 42 HG3 LYS 42 16.845 -2.672 -5.638 364 HD2 LYS 42 HD2 LYS 42 14.160 -3.432 -6.875 365 HD3 LYS 42 HD3 LYS 42 15.703 -4.182 -7.316 366 HE2 LYS 42 HE2 LYS 42 16.034 -4.652 -4.827 367 HE3 LYS 42 HE3 LYS 42 14.342 -4.229 -4.595 368 HZ1 LYS 42 HZ1 LYS 42 13.750 -6.079 -6.077 369 HZ2 LYS 42 HZ2 LYS 42 14.729 -6.620 -4.891 370 HZ3 LYS 42 HZ3 LYS 42 15.327 -6.358 -6.400 371 H ARG 43 HN ARG 43 16.204 1.400 -5.143 372 HA ARG 43 HA ARG 43 17.579 2.090 -7.654 373 HB2 ARG 43 HB2 ARG 43 17.248 3.429 -4.956 374 HB3 ARG 43 HB3 ARG 43 18.724 3.683 -5.863 375 HG2 ARG 43 HG2 ARG 43 17.252 5.454 -6.275 376 HG3 ARG 43 HG3 ARG 43 17.575 4.550 -7.765 377 HD2 ARG 43 HD2 ARG 43 15.382 3.678 -7.841 378 HD3 ARG 43 HD3 ARG 43 15.143 3.987 -6.114 379 HE ARG 43 HE ARG 43 14.978 6.334 -6.507 380 HH11 ARG 43 HH11 ARG 43 14.805 4.540 -9.606 381 HH12 ARG 43 HH12 ARG 43 13.743 5.726 -10.306 382 HH21 ARG 43 HH21 ARG 43 13.923 7.898 -7.555 383 HH22 ARG 43 HH22 ARG 43 13.116 7.645 -9.096 384 H LYS 44 HN LYS 44 20.112 2.489 -6.375 385 HA LYS 44 HA LYS 44 21.006 -0.281 -5.911 386 HB2 LYS 44 HB2 LYS 44 22.427 2.429 -5.769 387 HB3 LYS 44 HB3 LYS 44 23.161 0.923 -5.254 388 HG2 LYS 44 HG2 LYS 44 23.958 1.308 -7.412 389 HG3 LYS 44 HG3 LYS 44 22.812 -0.036 -7.534 390 HD2 LYS 44 HD2 LYS 44 21.154 1.358 -8.588 391 HD3 LYS 44 HD3 LYS 44 22.028 2.832 -8.134 392 HE2 LYS 44 HE2 LYS 44 22.354 2.362 -10.499 393 HE3 LYS 44 HE3 LYS 44 23.890 2.235 -9.634 394 HZ1 LYS 44 HZ1 LYS 44 23.702 -0.152 -9.723 395 HZ2 LYS 44 HZ2 LYS 44 23.484 0.452 -11.232 396 HZ3 LYS 44 HZ3 LYS 44 22.173 -0.028 -10.422 397 H ASP 45 HN ASP 45 20.724 2.779 -4.055 398 HA ASP 45 HA ASP 45 21.140 1.279 -1.517 399 HB2 ASP 45 HB2 ASP 45 21.991 4.020 -2.516 400 HB3 ASP 45 HB3 ASP 45 21.957 3.626 -0.812 401 H GLU 46 HN GLU 46 18.489 1.861 -2.963 402 HA GLU 46 HA GLU 46 17.039 2.893 -0.672 403 HB2 GLU 46 HB2 GLU 46 17.663 4.614 -2.930 404 HB3 GLU 46 HB3 GLU 46 15.938 4.218 -2.976 405 HG2 GLU 46 HG2 GLU 46 15.607 5.058 -0.762 406 HG3 GLU 46 HG3 GLU 46 17.347 5.305 -0.512 407 H ALA 47 HN ALA 47 14.718 2.287 -0.954 408 HA ALA 47 HA ALA 47 14.005 0.735 -3.334 409 HB1 ALA 47 HB1 ALA 47 13.328 -1.186 -1.901 410 HB2 ALA 47 HB2 ALA 47 15.081 -0.937 -1.949 411 HB3 ALA 47 HB3 ALA 47 14.167 -0.406 -0.523 412 H VAL 48 HN VAL 48 11.657 0.527 -3.548 413 HA VAL 48 HA VAL 48 10.075 2.124 -1.669 414 HB VAL 48 HB VAL 48 10.563 2.774 -4.585 415 HG11 VAL 48 HG11 VAL 48 8.678 4.353 -4.568 416 HG12 VAL 48 HG12 VAL 48 8.077 2.717 -4.291 417 HG13 VAL 48 HG13 VAL 48 8.228 3.828 -2.930 418 HG21 VAL 48 HG21 VAL 48 10.880 5.064 -3.831 419 HG22 VAL 48 HG22 VAL 48 10.473 4.588 -2.185 420 HG23 VAL 48 HG23 VAL 48 11.963 3.997 -2.924 421 H LYS 49 HN LYS 49 8.044 1.201 -1.464 422 HA LYS 49 HA LYS 49 7.212 -0.854 -3.460 423 HB2 LYS 49 HB2 LYS 49 7.759 -1.392 -0.524 424 HB3 LYS 49 HB3 LYS 49 6.544 -2.307 -1.433 425 HG2 LYS 49 HG2 LYS 49 8.202 -2.924 -3.138 426 HG3 LYS 49 HG3 LYS 49 9.464 -2.058 -2.268 427 HD2 LYS 49 HD2 LYS 49 9.290 -3.515 -0.354 428 HD3 LYS 49 HD3 LYS 49 7.895 -4.374 -1.051 429 HE2 LYS 49 HE2 LYS 49 10.571 -4.157 -2.482 430 HE3 LYS 49 HE3 LYS 49 10.249 -5.430 -1.312 431 HZ1 LYS 49 HZ1 LYS 49 8.711 -6.408 -2.695 432 HZ2 LYS 49 HZ2 LYS 49 9.797 -5.867 -3.775 433 HZ3 LYS 49 HZ3 LYS 49 8.362 -5.053 -3.518 434 H GLN 50 HN GLN 50 5.745 0.669 -4.121 435 HA GLN 50 HA GLN 50 3.706 1.663 -2.269 436 HB2 GLN 50 HB2 GLN 50 3.996 1.729 -5.305 437 HB3 GLN 50 HB3 GLN 50 2.703 2.537 -4.416 438 HG2 GLN 50 HG2 GLN 50 4.042 4.237 -3.669 439 HG3 GLN 50 HG3 GLN 50 5.503 3.263 -3.556 440 HE21 GLN 50 HE21 GLN 50 6.486 2.557 -5.884 441 HE22 GLN 50 HE22 GLN 50 6.236 3.737 -7.138 442 H TYR 51 HN TYR 51 1.541 0.876 -2.335 443 HA TYR 51 HA TYR 51 1.071 -1.788 -3.593 444 HB2 TYR 51 HB2 TYR 51 0.244 -0.746 -0.872 445 HB3 TYR 51 HB3 TYR 51 -0.496 -2.139 -1.627 446 HD1 TYR 51 HD1 TYR 51 2.801 -0.824 -0.416 447 HD2 TYR 51 HD2 TYR 51 0.488 -4.306 -1.473 448 HE1 TYR 51 HE1 TYR 51 4.596 -2.228 0.407 449 HE2 TYR 51 HE2 TYR 51 2.281 -5.771 -0.545 450 HH TYR 51 HH TYR 51 5.412 -4.390 0.425 451 H HIS 52 HN HIS 52 -1.614 -1.961 -3.502 452 HA HIS 52 HA HIS 52 -2.879 0.669 -3.956 453 HB2 HIS 52 HB2 HIS 52 -2.754 -0.075 -6.199 454 HB3 HIS 52 HB3 HIS 52 -3.047 -1.757 -5.753 455 HD1 HIS 52 HD1 HIS 52 -5.093 1.439 -6.628 456 HD2 HIS 52 HD2 HIS 52 -5.545 -2.515 -5.155 457 HE1 HIS 52 HE1 HIS 52 -7.496 0.820 -6.920 458 H LEU 53 HN LEU 53 -4.227 0.735 -2.099 459 HA LEU 53 HA LEU 53 -5.675 -1.757 -1.413 460 HB2 LEU 53 HB2 LEU 53 -5.509 0.904 0.076 461 HB3 LEU 53 HB3 LEU 53 -6.292 -0.572 0.592 462 HG LEU 53 HG LEU 53 -4.428 -0.444 1.842 463 HD11 LEU 53 HD11 LEU 53 -2.977 -2.315 1.325 464 HD12 LEU 53 HD12 LEU 53 -3.583 -2.323 -0.338 465 HD13 LEU 53 HD13 LEU 53 -4.704 -2.634 1.012 466 HD21 LEU 53 HD21 LEU 53 -2.398 -0.145 -0.316 467 HD22 LEU 53 HD22 LEU 53 -2.253 0.130 1.433 468 HD23 LEU 53 HD23 LEU 53 -3.185 1.265 0.444 469 H THR 54 HN THR 54 -8.030 -1.280 -0.999 470 HA THR 54 HA THR 54 -9.053 1.000 -2.579 471 HB THR 54 HB THR 54 -10.501 -1.621 -2.370 472 HG1 THR 54 HG1 THR 54 -8.730 -1.023 -4.505 473 HG21 THR 54 HG21 THR 54 -10.647 0.591 -4.421 474 HG22 THR 54 HG22 THR 54 -11.800 0.273 -3.099 475 HG23 THR 54 HG23 THR 54 -11.604 -0.908 -4.405 476 H LEU 55 HN LEU 55 -10.192 2.297 -1.364 477 HA LEU 55 HA LEU 55 -11.242 1.326 1.280 478 HB2 LEU 55 HB2 LEU 55 -10.653 4.090 0.199 479 HB3 LEU 55 HB3 LEU 55 -11.766 3.835 1.537 480 HG LEU 55 HG LEU 55 -9.668 2.227 2.323 481 HD11 LEU 55 HD11 LEU 55 -8.287 3.039 0.452 482 HD12 LEU 55 HD12 LEU 55 -7.600 3.439 2.041 483 HD13 LEU 55 HD13 LEU 55 -8.423 4.693 1.104 484 HD21 LEU 55 HD21 LEU 55 -9.884 5.127 3.030 485 HD22 LEU 55 HD22 LEU 55 -9.191 3.780 3.992 486 HD23 LEU 55 HD23 LEU 55 -10.920 3.853 3.686 487 H ARG 56 HN ARG 56 -13.396 1.979 1.907 488 HA ARG 56 HA ARG 56 -15.240 2.660 -0.285 489 HB2 ARG 56 HB2 ARG 56 -15.510 0.214 0.323 490 HB3 ARG 56 HB3 ARG 56 -15.942 0.713 1.949 491 HG2 ARG 56 HG2 ARG 56 -17.991 1.646 1.305 492 HG3 ARG 56 HG3 ARG 56 -17.530 1.764 -0.391 493 HD2 ARG 56 HD2 ARG 56 -17.439 -0.718 -0.539 494 HD3 ARG 56 HD3 ARG 56 -17.997 -0.824 1.134 495 HE ARG 56 HE ARG 56 -20.038 0.426 0.312 496 HH11 ARG 56 HH11 ARG 56 -18.329 -1.642 -2.104 497 HH12 ARG 56 HH12 ARG 56 -19.706 -2.526 -2.534 498 HH21 ARG 56 HH21 ARG 56 -21.933 -0.588 -0.536 499 HH22 ARG 56 HH22 ARG 56 -21.815 -1.871 -1.681 500 H GLU 57 HN GLU 57 -16.617 4.261 0.319 501 HA GLU 57 HA GLU 57 -16.842 5.055 3.156 502 HB2 GLU 57 HB2 GLU 57 -15.293 6.680 2.108 503 HB3 GLU 57 HB3 GLU 57 -16.408 6.954 0.799 504 HG2 GLU 57 HG2 GLU 57 -18.115 7.706 2.416 505 HG3 GLU 57 HG3 GLU 57 -16.939 7.541 3.745 506 H GLY 58 HN GLY 58 -18.893 4.177 3.326 507 HA2 GLY 58 HA1 GLY 58 -21.115 3.935 3.035 508 HA3 GLY 58 HA2 GLY 58 -21.086 5.426 2.128 509 H SER 59 HN SER 59 -21.192 5.420 -0.059 510 HA SER 59 HA SER 59 -21.785 2.826 -1.385 511 HB2 SER 59 HB2 SER 59 -23.336 4.226 -2.785 512 HB3 SER 59 HB3 SER 59 -23.816 3.953 -1.119 513 HG SER 59 HG SER 59 -24.160 6.096 -1.594 514 H LYS 60 HN LYS 60 -19.269 5.008 -1.276 515 HA LYS 60 HA LYS 60 -18.687 4.448 -4.148 516 HB2 LYS 60 HB2 LYS 60 -18.754 6.813 -3.824 517 HB3 LYS 60 HB3 LYS 60 -17.735 6.733 -2.380 518 HG2 LYS 60 HG2 LYS 60 -15.915 6.198 -3.701 519 HG3 LYS 60 HG3 LYS 60 -16.854 5.775 -5.124 520 HD2 LYS 60 HD2 LYS 60 -15.654 7.887 -5.431 521 HD3 LYS 60 HD3 LYS 60 -17.408 8.137 -5.469 522 HE2 LYS 60 HE2 LYS 60 -17.405 9.026 -3.214 523 HE3 LYS 60 HE3 LYS 60 -15.707 8.572 -2.971 524 HZ1 LYS 60 HZ1 LYS 60 -16.584 10.548 -4.988 525 HZ2 LYS 60 HZ2 LYS 60 -15.029 10.185 -4.517 526 HZ3 LYS 60 HZ3 LYS 60 -16.022 10.912 -3.473 527 H GLU 61 HN GLU 61 -16.809 3.429 -4.573 528 HA GLU 61 HA GLU 61 -14.950 2.734 -2.394 529 HB2 GLU 61 HB2 GLU 61 -16.170 0.933 -4.446 530 HB3 GLU 61 HB3 GLU 61 -14.395 0.804 -4.277 531 HG2 GLU 61 HG2 GLU 61 -14.530 0.240 -1.986 532 HG3 GLU 61 HG3 GLU 61 -16.186 0.795 -1.860 533 H PHE 62 HN PHE 62 -12.763 3.025 -2.953 534 HA PHE 62 HA PHE 62 -12.083 4.162 -5.568 535 HB2 PHE 62 HB2 PHE 62 -11.200 6.241 -4.518 536 HB3 PHE 62 HB3 PHE 62 -12.939 6.142 -4.574 537 HD1 PHE 62 HD1 PHE 62 -14.259 5.664 -2.461 538 HD2 PHE 62 HD2 PHE 62 -10.028 6.445 -2.402 539 HE1 PHE 62 HE1 PHE 62 -14.420 6.199 -0.052 540 HE2 PHE 62 HE2 PHE 62 -10.161 6.931 0.030 541 HZ PHE 62 HZ PHE 62 -12.335 6.802 1.205 542 H GLY 63 HN GLY 63 -10.072 3.586 -6.049 543 HA2 GLY 63 HA1 GLY 63 -8.384 2.118 -4.232 544 HA3 GLY 63 HA2 GLY 63 -7.994 2.654 -5.875 545 H VAL 64 HN VAL 64 -6.630 2.808 -3.110 546 HA VAL 64 HA VAL 64 -5.625 5.590 -3.630 547 HB VAL 64 HB VAL 64 -5.343 5.934 -1.291 548 HG11 VAL 64 HG11 VAL 64 -7.596 6.134 -0.535 549 HG12 VAL 64 HG12 VAL 64 -7.609 6.370 -2.288 550 HG13 VAL 64 HG13 VAL 64 -8.157 4.833 -1.599 551 HG21 VAL 64 HG21 VAL 64 -4.771 3.639 -0.551 552 HG22 VAL 64 HG22 VAL 64 -6.038 4.385 0.436 553 HG23 VAL 64 HG23 VAL 64 -6.459 3.165 -0.797 554 H PHE 65 HN PHE 65 -3.334 6.008 -3.144 555 HA PHE 65 HA PHE 65 -1.716 3.517 -3.311 556 HB2 PHE 65 HB2 PHE 65 -1.127 6.156 -4.567 557 HB3 PHE 65 HB3 PHE 65 -0.041 4.790 -4.499 558 HD1 PHE 65 HD2 PHE 65 -0.671 2.630 -5.687 559 HD2 PHE 65 HD1 PHE 65 -3.083 6.180 -6.010 560 HE1 PHE 65 HE2 PHE 65 -1.925 1.623 -7.609 561 HE2 PHE 65 HE1 PHE 65 -4.221 5.232 -7.989 562 HZ PHE 65 HZ PHE 65 -3.649 2.954 -8.787 563 H VAL 66 HN VAL 66 0.328 3.554 -2.188 564 HA VAL 66 HA VAL 66 0.466 5.446 0.081 565 HB VAL 66 HB VAL 66 0.689 2.413 0.300 566 HG11 VAL 66 HG11 VAL 66 2.132 3.364 1.926 567 HG12 VAL 66 HG12 VAL 66 1.039 4.712 2.266 568 HG13 VAL 66 HG13 VAL 66 0.615 3.082 2.804 569 HG21 VAL 66 HG21 VAL 66 -1.716 3.149 0.106 570 HG22 VAL 66 HG22 VAL 66 -1.313 2.451 1.669 571 HG23 VAL 66 HG23 VAL 66 -1.489 4.200 1.486 572 H THR 67 HN THR 67 2.455 6.205 0.314 573 HA THR 67 HA THR 67 4.341 5.470 -1.838 574 HB THR 67 HB THR 67 3.563 8.014 -0.410 575 HG1 THR 67 HG1 THR 67 2.480 8.439 -2.164 576 HG21 THR 67 HG21 THR 67 5.503 7.758 -2.724 577 HG22 THR 67 HG22 THR 67 5.955 8.174 -1.049 578 HG23 THR 67 HG23 THR 67 4.937 9.263 -1.964 579 H ILE 68 HN ILE 68 5.296 3.800 -0.566 580 HA ILE 68 HA ILE 68 6.618 4.470 1.979 581 HB ILE 68 HB ILE 68 6.290 1.873 0.421 582 HG12 ILE 68 HG12 ILE 68 4.757 2.991 2.807 583 HG13 ILE 68 HG13 ILE 68 4.140 2.706 1.181 584 HG21 ILE 68 HG21 ILE 68 7.075 0.710 2.391 585 HG22 ILE 68 HG22 ILE 68 8.293 1.900 1.988 586 HG23 ILE 68 HG23 ILE 68 7.177 2.227 3.325 587 HD11 ILE 68 HD11 ILE 68 4.912 0.579 3.199 588 HD12 ILE 68 HD12 ILE 68 3.302 0.989 2.601 589 HD13 ILE 68 HD13 ILE 68 4.483 0.249 1.500 590 H SER 69 HN SER 69 8.635 5.350 1.836 591 HA SER 69 HA SER 69 10.573 4.265 -0.144 592 HB2 SER 69 HB2 SER 69 10.402 6.953 1.273 593 HB3 SER 69 HB3 SER 69 11.893 6.314 0.577 594 HG SER 69 HG SER 69 9.686 7.368 -0.673 595 H PHE 70 HN PHE 70 12.262 3.116 0.632 596 HA PHE 70 HA PHE 70 12.984 3.280 3.440 597 HB2 PHE 70 HB2 PHE 70 12.610 0.992 3.937 598 HB3 PHE 70 HB3 PHE 70 11.091 1.674 3.417 599 HD1 PHE 70 HD2 PHE 70 10.385 1.160 0.924 600 HD2 PHE 70 HD1 PHE 70 13.609 -0.885 2.911 601 HE1 PHE 70 HE2 PHE 70 10.257 -0.681 -0.731 602 HE2 PHE 70 HE1 PHE 70 13.384 -2.790 1.335 603 HZ PHE 70 HZ PHE 70 11.701 -2.700 -0.483 604 H ASP 71 HN ASP 71 14.689 1.382 3.685 605 HA ASP 71 HA ASP 71 16.676 1.947 1.531 606 HB2 ASP 71 HB2 ASP 71 16.572 2.950 4.010 607 HB3 ASP 71 HB3 ASP 71 17.324 1.402 4.410 608 HA PRO 72 HA PRO 72 17.189 -2.511 1.536 609 HB2 PRO 72 HB2 PRO 72 19.410 -2.811 0.028 610 HB3 PRO 72 HB3 PRO 72 17.853 -2.264 -0.661 611 HG2 PRO 72 HG2 PRO 72 20.213 -0.547 0.189 612 HG3 PRO 72 HG3 PRO 72 19.286 -0.482 -1.348 613 HD2 PRO 72 HD2 PRO 72 18.741 1.181 0.736 614 HD3 PRO 72 HD3 PRO 72 17.442 0.536 -0.315 615 H TYR 73 HN TYR 73 19.470 -0.221 2.889 616 HA TYR 73 HA TYR 73 21.618 -1.794 3.637 617 HB2 TYR 73 HB2 TYR 73 20.305 0.553 4.995 618 HB3 TYR 73 HB3 TYR 73 21.528 -0.359 5.850 619 HD1 TYR 73 HD2 TYR 73 21.474 0.606 2.184 620 HD2 TYR 73 HD1 TYR 73 23.306 1.075 6.070 621 HE1 TYR 73 HE2 TYR 73 23.289 1.892 1.161 622 HE2 TYR 73 HE1 TYR 73 25.121 2.407 5.051 623 HH TYR 73 HH TYR 73 25.767 3.531 3.170 624 H SER 74 HN SER 74 18.566 -1.421 5.425 625 HA SER 74 HA SER 74 18.465 -4.127 6.135 626 HB2 SER 74 HB2 SER 74 20.195 -2.781 7.881 627 HB3 SER 74 HB3 SER 74 18.696 -2.825 8.796 628 HG SER 74 HG SER 74 20.302 -4.665 8.820 629 H GLN 75 HN GLN 75 16.741 -1.978 4.994 630 HA GLN 75 HA GLN 75 14.693 -1.092 5.123 631 HB2 GLN 75 HB2 GLN 75 14.103 -3.310 7.136 632 HB3 GLN 75 HB3 GLN 75 12.937 -2.169 6.508 633 HG2 GLN 75 HG2 GLN 75 12.542 -3.860 5.077 634 HG3 GLN 75 HG3 GLN 75 13.767 -3.014 4.127 635 HE21 GLN 75 HE21 GLN 75 15.717 -4.153 3.659 636 HE22 GLN 75 HE22 GLN 75 15.961 -5.806 4.210 637 H LYS 76 HN LYS 76 16.337 0.553 6.048 638 HA LYS 76 HA LYS 76 15.205 1.764 8.494 639 HB2 LYS 76 HB2 LYS 76 17.288 2.480 6.431 640 HB3 LYS 76 HB3 LYS 76 16.294 3.791 7.002 641 HG2 LYS 76 HG2 LYS 76 17.299 2.128 9.231 642 HG3 LYS 76 HG3 LYS 76 18.605 2.777 8.225 643 HD2 LYS 76 HD2 LYS 76 17.645 5.051 8.451 644 HD3 LYS 76 HD3 LYS 76 16.356 4.412 9.464 645 HE2 LYS 76 HE2 LYS 76 17.805 5.230 11.050 646 HE3 LYS 76 HE3 LYS 76 18.305 3.538 10.997 647 HZ1 LYS 76 HZ1 LYS 76 20.109 5.174 10.979 648 HZ2 LYS 76 HZ2 LYS 76 19.642 5.715 9.491 649 HZ3 LYS 76 HZ3 LYS 76 20.196 4.166 9.709 650 H VAL 77 HN VAL 77 13.285 2.811 8.318 651 HA VAL 77 HA VAL 77 11.936 3.086 5.683 652 HB VAL 77 HB VAL 77 11.117 4.372 8.297 653 HG11 VAL 77 HG11 VAL 77 8.879 4.318 7.279 654 HG12 VAL 77 HG12 VAL 77 10.016 5.192 6.260 655 HG13 VAL 77 HG13 VAL 77 9.544 3.536 5.822 656 HG21 VAL 77 HG21 VAL 77 10.278 1.595 7.388 657 HG22 VAL 77 HG22 VAL 77 11.273 1.965 8.816 658 HG23 VAL 77 HG23 VAL 77 9.596 2.500 8.748 659 H ASN 78 HN ASN 78 12.089 4.971 4.498 660 HA ASN 78 HA ASN 78 13.994 7.030 5.531 661 HB2 ASN 78 HB2 ASN 78 13.354 6.158 2.702 662 HB3 ASN 78 HB3 ASN 78 14.242 7.626 3.111 663 HD21 ASN 78 HD21 ASN 78 15.233 5.122 1.660 664 HD22 ASN 78 HD22 ASN 78 16.585 4.571 2.630 665 H LYS 79 HN LYS 79 10.898 6.597 3.711 666 HA LYS 79 HA LYS 79 9.733 8.745 5.285 667 HB2 LYS 79 HB2 LYS 79 9.905 8.978 2.241 668 HB3 LYS 79 HB3 LYS 79 8.753 9.871 3.235 669 HG2 LYS 79 HG2 LYS 79 10.666 10.950 4.448 670 HG3 LYS 79 HG3 LYS 79 11.769 10.120 3.342 671 HD2 LYS 79 HD2 LYS 79 11.556 12.205 2.347 672 HD3 LYS 79 HD3 LYS 79 10.451 11.200 1.431 673 HE2 LYS 79 HE2 LYS 79 9.105 13.017 1.723 674 HE3 LYS 79 HE3 LYS 79 8.640 12.085 3.155 675 HZ1 LYS 79 HZ1 LYS 79 9.113 14.368 3.761 676 HZ2 LYS 79 HZ2 LYS 79 10.607 14.294 3.047 677 HZ3 LYS 79 HZ3 LYS 79 10.318 13.417 4.377 678 H ILE 80 HN ILE 80 7.347 8.737 5.011 679 HA ILE 80 HA ILE 80 6.257 6.712 3.192 680 HB ILE 80 HB ILE 80 5.323 6.983 6.078 681 HG12 ILE 80 HG12 ILE 80 6.644 4.608 4.669 682 HG13 ILE 80 HG13 ILE 80 7.418 5.641 5.875 683 HG21 ILE 80 HG21 ILE 80 4.331 5.100 3.884 684 HG22 ILE 80 HG22 ILE 80 3.666 5.296 5.521 685 HG23 ILE 80 HG23 ILE 80 3.495 6.583 4.354 686 HD11 ILE 80 HD11 ILE 80 6.720 3.569 6.908 687 HD12 ILE 80 HD12 ILE 80 5.809 4.928 7.587 688 HD13 ILE 80 HD13 ILE 80 5.051 3.819 6.417 689 H ALA 81 HN ALA 81 4.473 7.584 2.139 690 HA ALA 81 HA ALA 81 3.095 9.937 3.225 691 HB1 ALA 81 HB1 ALA 81 4.715 10.971 1.761 692 HB2 ALA 81 HB2 ALA 81 4.341 9.841 0.443 693 HB3 ALA 81 HB3 ALA 81 3.134 11.030 0.959 694 H ILE 82 HN ILE 82 1.091 10.310 1.572 695 HA ILE 82 HA ILE 82 -0.126 7.685 0.906 696 HB ILE 82 HB ILE 82 -0.977 9.843 2.819 697 HG12 ILE 82 HG12 ILE 82 0.276 7.883 3.692 698 HG13 ILE 82 HG13 ILE 82 -1.309 8.058 4.392 699 HG21 ILE 82 HG21 ILE 82 -3.240 8.814 3.041 700 HG22 ILE 82 HG22 ILE 82 -2.976 9.709 1.541 701 HG23 ILE 82 HG23 ILE 82 -2.922 7.939 1.543 702 HD11 ILE 82 HD11 ILE 82 -2.206 6.209 3.184 703 HD12 ILE 82 HD12 ILE 82 -0.779 6.134 2.130 704 HD13 ILE 82 HD13 ILE 82 -0.635 5.697 3.833 705 H LEU 83 HN LEU 83 -1.955 7.921 -0.667 706 HA LEU 83 HA LEU 83 -2.225 10.484 -2.056 707 HB2 LEU 83 HB2 LEU 83 -0.242 9.180 -3.033 708 HB3 LEU 83 HB3 LEU 83 -1.311 7.879 -3.368 709 HG LEU 83 HG LEU 83 -0.524 9.562 -5.163 710 HD11 LEU 83 HD11 LEU 83 -1.813 7.859 -5.882 711 HD12 LEU 83 HD12 LEU 83 -2.650 9.278 -6.462 712 HD13 LEU 83 HD13 LEU 83 -3.293 8.423 -5.049 713 HD21 LEU 83 HD21 LEU 83 -1.835 11.471 -5.671 714 HD22 LEU 83 HD22 LEU 83 -1.370 11.631 -3.966 715 HD23 LEU 83 HD23 LEU 83 -3.011 11.115 -4.410 716 H GLU 84 HN GLU 84 -4.257 10.558 -2.987 717 HA GLU 84 HA GLU 84 -5.964 8.118 -2.780 718 HB2 GLU 84 HB2 GLU 84 -6.390 10.516 -1.521 719 HB3 GLU 84 HB3 GLU 84 -7.211 10.811 -3.066 720 HG2 GLU 84 HG2 GLU 84 -8.497 8.648 -2.678 721 HG3 GLU 84 HG3 GLU 84 -7.665 8.498 -1.142 722 H GLU 85 HN GLU 85 -7.188 7.538 -4.696 723 HA GLU 85 HA GLU 85 -6.337 8.781 -7.207 724 HB2 GLU 85 HB2 GLU 85 -6.903 6.389 -7.018 725 HB3 GLU 85 HB3 GLU 85 -8.571 6.797 -6.565 726 HG2 GLU 85 HG2 GLU 85 -9.084 7.600 -8.725 727 HG3 GLU 85 HG3 GLU 85 -7.378 7.760 -9.175 728 H TYR 86 HN TYR 86 -7.757 10.093 -8.508 729 HA TYR 86 HA TYR 86 -10.415 10.716 -7.609 730 HB2 TYR 86 HB2 TYR 86 -10.189 13.122 -7.696 731 HB3 TYR 86 HB3 TYR 86 -9.170 12.484 -6.433 732 HD1 TYR 86 HD1 TYR 86 -6.680 12.468 -6.670 733 HD2 TYR 86 HD2 TYR 86 -9.251 14.279 -9.639 734 HE1 TYR 86 HE1 TYR 86 -4.746 13.702 -7.587 735 HE2 TYR 86 HE2 TYR 86 -7.329 15.527 -10.540 736 HH TYR 86 HH TYR 86 -4.167 15.548 -8.976 737 H GLN 87 HN GLN 87 -11.588 11.785 -9.380 738 HA GLN 87 HA GLN 87 -10.326 11.493 -12.053 739 HB2 GLN 87 HB2 GLN 87 -13.130 10.817 -11.124 740 HB3 GLN 87 HB3 GLN 87 -12.721 11.089 -12.817 741 HG2 GLN 87 HG2 GLN 87 -11.961 9.012 -13.068 742 HG3 GLN 87 HG3 GLN 87 -10.762 9.249 -11.800 743 HE21 GLN 87 HE21 GLN 87 -10.883 7.382 -10.538 744 HE22 GLN 87 HE22 GLN 87 -12.372 6.816 -9.821 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 -18.894 -11.884 -5.755 2 HA2 GLY 1 HA1 GLY 1 -18.755 -9.515 -3.962 3 HA3 GLY 1 HA2 GLY 1 -19.825 -10.906 -3.706 4 H GLU 2 HN GLU 2 -16.332 -10.548 -4.561 5 HA GLU 2 HA GLU 2 -15.564 -12.617 -2.575 6 HB2 GLU 2 HB2 GLU 2 -14.071 -10.998 -4.714 7 HB3 GLU 2 HB3 GLU 2 -13.240 -11.910 -3.466 8 HG2 GLU 2 HG2 GLU 2 -14.901 -13.861 -4.360 9 HG3 GLU 2 HG3 GLU 2 -14.750 -12.920 -5.834 10 H GLU 3 HN GLU 3 -13.601 -11.751 -1.203 11 HA GLU 3 HA GLU 3 -13.833 -8.805 -0.740 12 HB2 GLU 3 HB2 GLU 3 -12.323 -10.879 0.903 13 HB3 GLU 3 HB3 GLU 3 -12.153 -9.115 1.006 14 HG2 GLU 3 HG2 GLU 3 -14.795 -9.202 1.320 15 HG3 GLU 3 HG3 GLU 3 -14.474 -10.858 1.838 16 H THR 4 HN THR 4 -11.039 -11.003 -0.655 17 HA THR 4 HA THR 4 -9.704 -9.242 -2.606 18 HB THR 4 HB THR 4 -7.870 -9.528 -0.631 19 HG1 THR 4 HG1 THR 4 -9.705 -9.132 1.226 20 HG21 THR 4 HG21 THR 4 -8.834 -7.390 -1.458 21 HG22 THR 4 HG22 THR 4 -8.655 -7.411 0.311 22 HG23 THR 4 HG23 THR 4 -10.247 -7.671 -0.414 23 HA PRO 5 HA PRO 5 -7.559 -12.775 -4.154 24 HB2 PRO 5 HB2 PRO 5 -5.039 -11.859 -4.717 25 HB3 PRO 5 HB3 PRO 5 -6.496 -11.269 -5.562 26 HG2 PRO 5 HG2 PRO 5 -5.112 -10.015 -3.164 27 HG3 PRO 5 HG3 PRO 5 -5.551 -9.232 -4.727 28 HD2 PRO 5 HD2 PRO 5 -7.131 -9.027 -2.563 29 HD3 PRO 5 HD3 PRO 5 -7.845 -9.247 -4.180 30 H LEU 6 HN LEU 6 -7.939 -13.515 -1.762 31 HA LEU 6 HA LEU 6 -5.466 -14.725 -0.763 32 HB2 LEU 6 HB2 LEU 6 -6.266 -14.148 1.567 33 HB3 LEU 6 HB3 LEU 6 -5.419 -12.945 0.635 34 HG LEU 6 HG LEU 6 -7.622 -11.836 0.123 35 HD11 LEU 6 HD11 LEU 6 -8.711 -13.819 2.151 36 HD12 LEU 6 HD12 LEU 6 -9.246 -13.605 0.471 37 HD13 LEU 6 HD13 LEU 6 -9.549 -12.335 1.653 38 HD21 LEU 6 HD21 LEU 6 -6.689 -12.131 2.984 39 HD22 LEU 6 HD22 LEU 6 -7.857 -10.903 2.449 40 HD23 LEU 6 HD23 LEU 6 -6.214 -10.925 1.767 41 H VAL 7 HN VAL 7 -7.075 -16.048 -2.353 42 HA VAL 7 HA VAL 7 -9.252 -17.411 -1.193 43 HB VAL 7 HB VAL 7 -8.537 -17.391 -3.578 44 HG11 VAL 7 HG11 VAL 7 -6.133 -17.801 -3.393 45 HG12 VAL 7 HG12 VAL 7 -6.434 -19.428 -2.731 46 HG13 VAL 7 HG13 VAL 7 -6.904 -19.048 -4.390 47 HG21 VAL 7 HG21 VAL 7 -9.297 -19.598 -4.154 48 HG22 VAL 7 HG22 VAL 7 -8.903 -20.219 -2.537 49 HG23 VAL 7 HG23 VAL 7 -10.198 -19.024 -2.744 50 H THR 8 HN THR 8 -5.958 -17.477 -0.213 51 HA THR 8 HA THR 8 -6.687 -19.043 1.964 52 HB THR 8 HB THR 8 -6.000 -20.790 0.173 53 HG1 THR 8 HG1 THR 8 -5.629 -22.041 1.660 54 HG21 THR 8 HG21 THR 8 -3.921 -19.712 -0.615 55 HG22 THR 8 HG22 THR 8 -3.647 -21.357 0.003 56 HG23 THR 8 HG23 THR 8 -3.196 -19.971 1.000 57 H ALA 9 HN ALA 9 -4.684 -19.034 3.478 58 HA ALA 9 HA ALA 9 -3.481 -16.398 3.513 59 HB1 ALA 9 HB1 ALA 9 -4.191 -17.664 5.540 60 HB2 ALA 9 HB2 ALA 9 -2.910 -18.856 5.216 61 HB3 ALA 9 HB3 ALA 9 -2.499 -17.154 5.577 62 H ARG 10 HN ARG 10 -1.654 -15.857 2.324 63 HA ARG 10 HA ARG 10 0.464 -17.878 1.841 64 HB2 ARG 10 HB2 ARG 10 -0.664 -16.107 -0.358 65 HB3 ARG 10 HB3 ARG 10 0.648 -17.272 -0.508 66 HG2 ARG 10 HG2 ARG 10 -0.990 -19.104 0.128 67 HG3 ARG 10 HG3 ARG 10 -2.287 -17.916 -0.018 68 HD2 ARG 10 HD2 ARG 10 -0.368 -18.685 -2.246 69 HD3 ARG 10 HD3 ARG 10 -1.982 -19.384 -2.012 70 HE ARG 10 HE ARG 10 -2.411 -16.635 -2.089 71 HH11 ARG 10 HH11 ARG 10 -1.288 -19.109 -4.372 72 HH12 ARG 10 HH12 ARG 10 -1.130 -17.968 -5.694 73 HH21 ARG 10 HH21 ARG 10 -2.804 -15.404 -3.874 74 HH22 ARG 10 HH22 ARG 10 -2.339 -15.870 -5.471 75 H HIS 11 HN HIS 11 2.518 -16.908 1.476 76 HA HIS 11 HA HIS 11 2.777 -14.708 3.276 77 HB2 HIS 11 HB2 HIS 11 4.830 -16.044 1.459 78 HB3 HIS 11 HB3 HIS 11 5.243 -14.900 2.732 79 HD1 HIS 11 HD1 HIS 11 6.210 -18.064 2.703 80 HD2 HIS 11 HD2 HIS 11 3.163 -16.187 4.946 81 HE1 HIS 11 HE1 HIS 11 5.795 -19.537 4.710 82 H MET 12 HN MET 12 4.027 -12.750 2.923 83 HA MET 12 HA MET 12 3.782 -11.489 0.288 84 HB2 MET 12 HB2 MET 12 2.372 -10.409 2.766 85 HB3 MET 12 HB3 MET 12 2.541 -9.560 1.207 86 HG2 MET 12 HG2 MET 12 1.496 -11.789 0.290 87 HG3 MET 12 HG3 MET 12 0.880 -11.962 1.930 88 HE1 MET 12 HE1 MET 12 -0.691 -9.750 2.984 89 HE2 MET 12 HE2 MET 12 0.166 -8.431 2.150 90 HE3 MET 12 HE3 MET 12 -1.562 -8.647 1.879 91 H SER 13 HN SER 13 4.412 -8.873 1.406 92 HA SER 13 HA SER 13 7.328 -9.436 1.778 93 HB2 SER 13 HB2 SER 13 5.976 -8.193 -0.278 94 HB3 SER 13 HB3 SER 13 6.344 -6.805 0.740 95 HG SER 13 HG SER 13 8.265 -8.775 0.006 96 H LYS 14 HN LYS 14 8.597 -7.878 3.113 97 HA LYS 14 HA LYS 14 7.606 -7.340 5.587 98 HB2 LYS 14 HB2 LYS 14 9.965 -7.140 5.076 99 HB3 LYS 14 HB3 LYS 14 9.707 -5.710 4.083 100 HG2 LYS 14 HG2 LYS 14 10.664 -5.130 6.230 101 HG3 LYS 14 HG3 LYS 14 9.094 -4.375 6.036 102 HD2 LYS 14 HD2 LYS 14 8.042 -5.949 7.548 103 HD3 LYS 14 HD3 LYS 14 9.461 -6.984 7.587 104 HE2 LYS 14 HE2 LYS 14 9.508 -4.082 8.540 105 HE3 LYS 14 HE3 LYS 14 9.003 -5.417 9.579 106 HZ1 LYS 14 HZ1 LYS 14 11.211 -6.450 9.099 107 HZ2 LYS 14 HZ2 LYS 14 11.288 -5.002 9.935 108 HZ3 LYS 14 HZ3 LYS 14 11.683 -5.053 8.382 109 H TRP 15 HN TRP 15 7.437 -4.886 2.992 110 HA TRP 15 HA TRP 15 6.170 -2.988 4.755 111 HB2 TRP 15 HB2 TRP 15 6.600 -2.870 1.764 112 HB3 TRP 15 HB3 TRP 15 6.210 -1.510 2.817 113 HD1 TRP 15 HD1 TRP 15 9.084 -3.584 1.580 114 HE1 TRP 15 HE1 TRP 15 11.329 -2.816 2.606 115 HE3 TRP 15 HE3 TRP 15 7.341 -0.160 5.001 116 HZ2 TRP 15 HZ2 TRP 15 12.188 -1.113 4.747 117 HZ3 TRP 15 HZ3 TRP 15 8.956 0.980 6.546 118 HH2 TRP 15 HH2 TRP 15 11.364 0.426 6.446 119 H GLU 16 HN GLU 16 4.723 -5.684 3.503 120 HA GLU 16 HA GLU 16 2.433 -4.633 2.173 121 HB2 GLU 16 HB2 GLU 16 1.711 -6.917 2.088 122 HB3 GLU 16 HB3 GLU 16 3.419 -6.906 1.937 123 HG2 GLU 16 HG2 GLU 16 3.329 -8.565 3.416 124 HG3 GLU 16 HG3 GLU 16 3.419 -7.266 4.576 125 H GLU 17 HN GLU 17 2.878 -5.785 5.525 126 HA GLU 17 HA GLU 17 0.172 -5.253 6.242 127 HB2 GLU 17 HB2 GLU 17 2.746 -5.787 7.777 128 HB3 GLU 17 HB3 GLU 17 1.334 -5.209 8.640 129 HG2 GLU 17 HG2 GLU 17 0.230 -7.243 7.106 130 HG3 GLU 17 HG3 GLU 17 1.838 -7.871 7.491 131 H ILE 18 HN ILE 18 2.996 -3.208 6.049 132 HA ILE 18 HA ILE 18 2.021 -1.090 7.780 133 HB ILE 18 HB ILE 18 4.165 -1.114 5.602 134 HG12 ILE 18 HG12 ILE 18 4.382 -1.301 8.648 135 HG13 ILE 18 HG13 ILE 18 4.554 -2.669 7.554 136 HG21 ILE 18 HG21 ILE 18 4.958 0.997 6.639 137 HG22 ILE 18 HG22 ILE 18 3.318 1.178 6.033 138 HG23 ILE 18 HG23 ILE 18 3.582 0.952 7.776 139 HD11 ILE 18 HD11 ILE 18 6.466 -0.326 7.695 140 HD12 ILE 18 HD12 ILE 18 6.731 -1.992 8.244 141 HD13 ILE 18 HD13 ILE 18 6.534 -1.669 6.523 142 H ALA 19 HN ALA 19 2.114 -1.696 4.213 143 HA ALA 19 HA ALA 19 0.621 0.594 3.529 144 HB1 ALA 19 HB1 ALA 19 1.903 -0.751 1.892 145 HB2 ALA 19 HB2 ALA 19 0.739 -2.093 2.090 146 HB3 ALA 19 HB3 ALA 19 0.209 -0.557 1.389 147 H VAL 20 HN VAL 20 -0.614 -2.781 4.161 148 HA VAL 20 HA VAL 20 -3.322 -2.070 3.695 149 HB VAL 20 HB VAL 20 -2.058 -4.257 5.408 150 HG11 VAL 20 HG11 VAL 20 -4.233 -5.464 5.240 151 HG12 VAL 20 HG12 VAL 20 -4.361 -3.994 6.203 152 HG13 VAL 20 HG13 VAL 20 -4.978 -4.014 4.537 153 HG21 VAL 20 HG21 VAL 20 -3.331 -4.407 2.635 154 HG22 VAL 20 HG22 VAL 20 -1.590 -4.351 2.945 155 HG23 VAL 20 HG23 VAL 20 -2.536 -5.729 3.526 156 H LYS 21 HN LYS 21 -1.417 -1.984 6.798 157 HA LYS 21 HA LYS 21 -3.732 -1.277 8.337 158 HB2 LYS 21 HB2 LYS 21 -0.754 -1.011 8.839 159 HB3 LYS 21 HB3 LYS 21 -1.968 -0.522 10.021 160 HG2 LYS 21 HG2 LYS 21 -2.954 -2.776 10.042 161 HG3 LYS 21 HG3 LYS 21 -1.810 -3.309 8.818 162 HD2 LYS 21 HD2 LYS 21 -0.010 -2.391 10.577 163 HD3 LYS 21 HD3 LYS 21 -1.324 -2.680 11.732 164 HE2 LYS 21 HE2 LYS 21 -0.112 -4.636 9.750 165 HE3 LYS 21 HE3 LYS 21 0.158 -4.675 11.491 166 HZ1 LYS 21 HZ1 LYS 21 -1.924 -5.600 11.799 167 HZ2 LYS 21 HZ2 LYS 21 -1.534 -6.187 10.336 168 HZ3 LYS 21 HZ3 LYS 21 -2.584 -4.924 10.453 169 H GLU 22 HN GLU 22 -1.183 0.749 6.730 170 HA GLU 22 HA GLU 22 -2.252 3.146 7.832 171 HB2 GLU 22 HB2 GLU 22 -0.545 2.747 5.381 172 HB3 GLU 22 HB3 GLU 22 -1.029 4.314 6.094 173 HG2 GLU 22 HG2 GLU 22 -0.029 2.790 8.252 174 HG3 GLU 22 HG3 GLU 22 1.120 2.539 6.944 175 H ALA 23 HN ALA 23 -2.879 1.442 4.744 176 HA ALA 23 HA ALA 23 -4.771 3.283 3.726 177 HB1 ALA 23 HB1 ALA 23 -3.616 1.585 2.381 178 HB2 ALA 23 HB2 ALA 23 -4.501 0.301 3.249 179 HB3 ALA 23 HB3 ALA 23 -5.381 1.454 2.214 180 H LYS 24 HN LYS 24 -5.208 1.339 6.505 181 HA LYS 24 HA LYS 24 -8.157 1.835 6.238 182 HB2 LYS 24 HB2 LYS 24 -8.739 0.161 7.638 183 HB3 LYS 24 HB3 LYS 24 -7.641 -0.482 6.418 184 HG2 LYS 24 HG2 LYS 24 -5.802 -0.521 8.039 185 HG3 LYS 24 HG3 LYS 24 -6.889 0.223 9.222 186 HD2 LYS 24 HD2 LYS 24 -6.660 -2.200 9.654 187 HD3 LYS 24 HD3 LYS 24 -8.320 -1.816 9.181 188 HE2 LYS 24 HE2 LYS 24 -7.863 -2.577 6.869 189 HE3 LYS 24 HE3 LYS 24 -6.183 -2.914 7.286 190 HZ1 LYS 24 HZ1 LYS 24 -7.648 -4.867 7.244 191 HZ2 LYS 24 HZ2 LYS 24 -8.531 -4.288 8.487 192 HZ3 LYS 24 HZ3 LYS 24 -6.967 -4.702 8.734 193 H LYS 25 HN LYS 25 -5.282 2.345 8.326 194 HA LYS 25 HA LYS 25 -6.793 3.559 10.428 195 HB2 LYS 25 HB2 LYS 25 -4.786 4.165 11.436 196 HB3 LYS 25 HB3 LYS 25 -4.466 2.672 10.606 197 HG2 LYS 25 HG2 LYS 25 -2.594 3.656 9.882 198 HG3 LYS 25 HG3 LYS 25 -3.611 4.495 8.723 199 HD2 LYS 25 HD2 LYS 25 -2.356 6.220 9.704 200 HD3 LYS 25 HD3 LYS 25 -3.900 6.305 10.591 201 HE2 LYS 25 HE2 LYS 25 -2.814 4.650 12.266 202 HE3 LYS 25 HE3 LYS 25 -1.295 4.951 11.415 203 HZ1 LYS 25 HZ1 LYS 25 -1.712 7.361 11.976 204 HZ2 LYS 25 HZ2 LYS 25 -1.404 6.377 13.285 205 HZ3 LYS 25 HZ3 LYS 25 -2.939 6.858 12.926 206 H ARG 26 HN ARG 26 -5.225 4.964 7.585 207 HA ARG 26 HA ARG 26 -5.646 7.709 8.217 208 HB2 ARG 26 HB2 ARG 26 -3.980 6.535 6.617 209 HB3 ARG 26 HB3 ARG 26 -5.311 6.495 5.481 210 HG2 ARG 26 HG2 ARG 26 -4.132 8.372 4.864 211 HG3 ARG 26 HG3 ARG 26 -5.412 9.097 5.823 212 HD2 ARG 26 HD2 ARG 26 -3.832 9.208 7.768 213 HD3 ARG 26 HD3 ARG 26 -2.591 8.441 6.758 214 HE ARG 26 HE ARG 26 -2.633 10.372 5.278 215 HH11 ARG 26 HH11 ARG 26 -4.390 11.103 8.296 216 HH12 ARG 26 HH12 ARG 26 -3.608 12.645 8.482 217 HH21 ARG 26 HH21 ARG 26 -1.955 12.447 5.342 218 HH22 ARG 26 HH22 ARG 26 -2.538 13.574 6.529 219 H TYR 27 HN TYR 27 -8.089 5.518 7.793 220 HA TYR 27 HA TYR 27 -9.850 7.278 6.213 221 HB2 TYR 27 HB2 TYR 27 -9.291 4.333 5.718 222 HB3 TYR 27 HB3 TYR 27 -10.636 5.247 5.041 223 HD1 TYR 27 HD2 TYR 27 -10.127 7.390 3.698 224 HD2 TYR 27 HD1 TYR 27 -7.093 4.494 4.719 225 HE1 TYR 27 HE2 TYR 27 -8.537 8.544 2.236 226 HE2 TYR 27 HE1 TYR 27 -5.533 5.570 3.131 227 HH TYR 27 HH TYR 27 -6.222 8.710 1.650 228 HA PRO 28 HA PRO 28 -12.046 5.922 9.962 229 HB2 PRO 28 HB2 PRO 28 -12.797 8.417 10.807 230 HB3 PRO 28 HB3 PRO 28 -11.218 7.669 11.206 231 HG2 PRO 28 HG2 PRO 28 -11.833 9.816 9.197 232 HG3 PRO 28 HG3 PRO 28 -10.343 9.551 10.181 233 HD2 PRO 28 HD2 PRO 28 -10.696 8.849 7.507 234 HD3 PRO 28 HD3 PRO 28 -9.407 8.292 8.616 235 H LEU 29 HN LEU 29 -12.757 7.936 7.154 236 HA LEU 29 HA LEU 29 -15.673 7.548 7.543 237 HB2 LEU 29 HB2 LEU 29 -14.058 9.599 6.053 238 HB3 LEU 29 HB3 LEU 29 -15.648 9.154 5.449 239 HG LEU 29 HG LEU 29 -16.561 9.516 7.813 240 HD11 LEU 29 HD11 LEU 29 -14.502 9.540 9.070 241 HD12 LEU 29 HD12 LEU 29 -15.251 11.128 9.208 242 HD13 LEU 29 HD13 LEU 29 -13.866 10.898 8.115 243 HD21 LEU 29 HD21 LEU 29 -16.934 11.037 5.888 244 HD22 LEU 29 HD22 LEU 29 -15.503 11.969 6.371 245 HD23 LEU 29 HD23 LEU 29 -16.942 11.830 7.448 246 H ALA 30 HN ALA 30 -13.209 5.932 6.108 247 HA ALA 30 HA ALA 30 -15.028 4.626 4.210 248 HB1 ALA 30 HB1 ALA 30 -13.335 4.614 2.435 249 HB2 ALA 30 HB2 ALA 30 -13.699 6.293 2.884 250 HB3 ALA 30 HB3 ALA 30 -12.211 5.539 3.453 251 H GLN 31 HN GLN 31 -14.034 2.490 3.529 252 HA GLN 31 HA GLN 31 -12.219 1.332 5.603 253 HB2 GLN 31 HB2 GLN 31 -14.691 0.024 4.432 254 HB3 GLN 31 HB3 GLN 31 -13.578 -0.719 5.588 255 HG2 GLN 31 HG2 GLN 31 -14.226 0.870 7.333 256 HG3 GLN 31 HG3 GLN 31 -15.262 1.750 6.192 257 HE21 GLN 31 HE21 GLN 31 -16.650 0.067 4.889 258 HE22 GLN 31 HE22 GLN 31 -17.705 -0.954 5.887 259 H VAL 32 HN VAL 32 -11.101 -0.559 4.770 260 HA VAL 32 HA VAL 32 -10.671 -0.281 1.837 261 HB VAL 32 HB VAL 32 -8.792 0.287 3.348 262 HG11 VAL 32 HG11 VAL 32 -8.440 -2.707 3.665 263 HG12 VAL 32 HG12 VAL 32 -7.373 -1.429 4.276 264 HG13 VAL 32 HG13 VAL 32 -9.001 -1.625 4.969 265 HG21 VAL 32 HG21 VAL 32 -8.536 -0.349 0.920 266 HG22 VAL 32 HG22 VAL 32 -7.118 -0.675 1.929 267 HG23 VAL 32 HG23 VAL 32 -8.188 -2.004 1.434 268 H LEU 33 HN LEU 33 -11.289 -1.990 0.576 269 HA LEU 33 HA LEU 33 -11.672 -4.730 1.705 270 HB2 LEU 33 HB2 LEU 33 -13.510 -4.748 -0.185 271 HB3 LEU 33 HB3 LEU 33 -13.830 -4.119 1.336 272 HG LEU 33 HG LEU 33 -14.842 -2.924 -0.291 273 HD11 LEU 33 HD11 LEU 33 -13.448 -0.676 0.778 274 HD12 LEU 33 HD12 LEU 33 -13.630 -1.900 2.062 275 HD13 LEU 33 HD13 LEU 33 -15.041 -1.336 1.223 276 HD21 LEU 33 HD21 LEU 33 -13.186 -3.268 -1.765 277 HD22 LEU 33 HD22 LEU 33 -12.147 -2.046 -1.006 278 HD23 LEU 33 HD23 LEU 33 -13.697 -1.544 -1.773 279 H PHE 34 HN PHE 34 -9.817 -3.063 -0.197 280 HA PHE 34 HA PHE 34 -9.380 -5.260 -2.235 281 HB2 PHE 34 HB2 PHE 34 -9.992 -2.463 -2.519 282 HB3 PHE 34 HB3 PHE 34 -8.414 -2.770 -3.222 283 HD1 PHE 34 HD2 PHE 34 -8.168 -4.580 -5.014 284 HD2 PHE 34 HD1 PHE 34 -11.978 -3.003 -3.725 285 HE1 PHE 34 HE2 PHE 34 -9.203 -5.316 -7.133 286 HE2 PHE 34 HE1 PHE 34 -12.994 -3.718 -5.856 287 HZ PHE 34 HZ PHE 34 -11.607 -4.847 -7.576 288 H LYS 35 HN LYS 35 -7.207 -5.732 -2.865 289 HA LYS 35 HA LYS 35 -4.977 -4.385 -1.507 290 HB2 LYS 35 HB2 LYS 35 -5.463 -7.388 -1.224 291 HB3 LYS 35 HB3 LYS 35 -4.024 -6.536 -0.671 292 HG2 LYS 35 HG2 LYS 35 -5.334 -5.322 1.020 293 HG3 LYS 35 HG3 LYS 35 -6.828 -6.050 0.413 294 HD2 LYS 35 HD2 LYS 35 -5.783 -8.330 0.901 295 HD3 LYS 35 HD3 LYS 35 -4.535 -7.450 1.813 296 HE2 LYS 35 HE2 LYS 35 -6.308 -6.449 3.241 297 HE3 LYS 35 HE3 LYS 35 -7.551 -7.257 2.279 298 HZ1 LYS 35 HZ1 LYS 35 -5.571 -8.506 4.064 299 HZ2 LYS 35 HZ2 LYS 35 -6.442 -9.389 2.977 300 HZ3 LYS 35 HZ3 LYS 35 -7.203 -8.548 4.171 301 H GLN 36 HN GLN 36 -3.776 -3.818 -3.436 302 HA GLN 36 HA GLN 36 -3.223 -6.125 -5.206 303 HB2 GLN 36 HB2 GLN 36 -5.064 -4.302 -5.954 304 HB3 GLN 36 HB3 GLN 36 -3.599 -3.446 -6.470 305 HG2 GLN 36 HG2 GLN 36 -2.924 -5.452 -7.781 306 HG3 GLN 36 HG3 GLN 36 -4.370 -6.308 -7.218 307 HE21 GLN 36 HE21 GLN 36 -6.396 -5.909 -8.307 308 HE22 GLN 36 HE22 GLN 36 -6.532 -4.829 -9.650 309 H LYS 37 HN LYS 37 -1.332 -6.009 -6.416 310 HA LYS 37 HA LYS 37 0.906 -4.647 -5.069 311 HB2 LYS 37 HB2 LYS 37 0.700 -6.621 -7.385 312 HB3 LYS 37 HB3 LYS 37 2.242 -5.946 -6.845 313 HG2 LYS 37 HG2 LYS 37 2.070 -6.948 -4.672 314 HG3 LYS 37 HG3 LYS 37 0.375 -7.387 -4.937 315 HD2 LYS 37 HD2 LYS 37 1.210 -8.826 -6.901 316 HD3 LYS 37 HD3 LYS 37 2.839 -8.630 -6.217 317 HE2 LYS 37 HE2 LYS 37 2.144 -9.628 -4.118 318 HE3 LYS 37 HE3 LYS 37 0.433 -9.499 -4.548 319 HZ1 LYS 37 HZ1 LYS 37 1.092 -11.715 -4.806 320 HZ2 LYS 37 HZ2 LYS 37 2.370 -11.344 -5.782 321 HZ3 LYS 37 HZ3 LYS 37 0.824 -11.116 -6.307 322 H VAL 38 HN VAL 38 2.591 -3.797 -6.749 323 HA VAL 38 HA VAL 38 1.461 -1.913 -8.693 324 HB VAL 38 HB VAL 38 2.548 -0.050 -7.415 325 HG11 VAL 38 HG11 VAL 38 0.408 -1.414 -5.760 326 HG12 VAL 38 HG12 VAL 38 0.821 0.310 -5.800 327 HG13 VAL 38 HG13 VAL 38 0.106 -0.462 -7.224 328 HG21 VAL 38 HG21 VAL 38 3.027 -0.440 -4.987 329 HG22 VAL 38 HG22 VAL 38 2.863 -2.164 -5.232 330 HG23 VAL 38 HG23 VAL 38 4.161 -1.264 -6.052 331 H TRP 39 HN TRP 39 3.717 -0.361 -9.057 332 HA TRP 39 HA TRP 39 5.731 -2.150 -10.169 333 HB2 TRP 39 HB2 TRP 39 5.037 -0.010 -11.203 334 HB3 TRP 39 HB3 TRP 39 5.605 0.862 -9.790 335 HD1 TRP 39 HD1 TRP 39 7.108 -1.513 -12.477 336 HE1 TRP 39 HE1 TRP 39 9.327 -0.544 -13.256 337 HE3 TRP 39 HE3 TRP 39 7.520 2.308 -9.093 338 HZ2 TRP 39 HZ2 TRP 39 10.950 1.807 -12.668 339 HZ3 TRP 39 HZ3 TRP 39 9.449 3.843 -9.170 340 HH2 TRP 39 HH2 TRP 39 11.165 3.611 -10.983 341 H ASP 40 HN ASP 40 7.231 -3.047 -8.919 342 HA ASP 40 HA ASP 40 7.768 -2.001 -6.202 343 HB2 ASP 40 HB2 ASP 40 7.601 -4.332 -5.440 344 HB3 ASP 40 HB3 ASP 40 6.090 -3.665 -6.046 345 H ARG 41 HN ARG 41 9.853 -1.224 -6.443 346 HA ARG 41 HA ARG 41 11.901 -3.037 -7.598 347 HB2 ARG 41 HB2 ARG 41 12.537 -1.503 -9.255 348 HB3 ARG 41 HB3 ARG 41 10.839 -1.872 -9.482 349 HG2 ARG 41 HG2 ARG 41 10.384 0.315 -9.481 350 HG3 ARG 41 HG3 ARG 41 10.985 0.496 -7.843 351 HD2 ARG 41 HD2 ARG 41 12.195 2.005 -9.334 352 HD3 ARG 41 HD3 ARG 41 13.295 0.782 -8.727 353 HE ARG 41 HE ARG 41 12.007 0.158 -11.284 354 HH11 ARG 41 HH11 ARG 41 15.018 1.361 -9.839 355 HH12 ARG 41 HH12 ARG 41 15.781 1.635 -11.365 356 HH21 ARG 41 HH21 ARG 41 13.173 0.063 -13.184 357 HH22 ARG 41 HH22 ARG 41 14.657 0.961 -13.341 358 H LYS 42 HN LYS 42 14.007 -1.326 -7.906 359 HA LYS 42 HA LYS 42 14.300 0.322 -5.562 360 HB2 LYS 42 HB2 LYS 42 16.449 -0.888 -4.867 361 HB3 LYS 42 HB3 LYS 42 14.951 -1.697 -4.446 362 HG2 LYS 42 HG2 LYS 42 16.313 -2.395 -7.022 363 HG3 LYS 42 HG3 LYS 42 17.059 -2.944 -5.517 364 HD2 LYS 42 HD2 LYS 42 15.198 -4.275 -4.899 365 HD3 LYS 42 HD3 LYS 42 14.123 -3.493 -6.069 366 HE2 LYS 42 HE2 LYS 42 15.602 -4.311 -7.905 367 HE3 LYS 42 HE3 LYS 42 16.484 -5.254 -6.677 368 HZ1 LYS 42 HZ1 LYS 42 13.581 -5.581 -7.278 369 HZ2 LYS 42 HZ2 LYS 42 14.461 -6.423 -6.178 370 HZ3 LYS 42 HZ3 LYS 42 14.777 -6.593 -7.782 371 H ARG 43 HN ARG 43 16.579 1.172 -5.529 372 HA ARG 43 HA ARG 43 17.485 2.026 -8.242 373 HB2 ARG 43 HB2 ARG 43 17.629 3.501 -5.585 374 HB3 ARG 43 HB3 ARG 43 18.331 4.063 -7.096 375 HG2 ARG 43 HG2 ARG 43 15.397 3.534 -7.224 376 HG3 ARG 43 HG3 ARG 43 15.887 4.816 -6.129 377 HD2 ARG 43 HD2 ARG 43 16.870 4.692 -8.993 378 HD3 ARG 43 HD3 ARG 43 15.353 5.463 -8.570 379 HE ARG 43 HE ARG 43 18.056 6.398 -8.036 380 HH11 ARG 43 HH11 ARG 43 14.595 6.878 -7.281 381 HH12 ARG 43 HH12 ARG 43 14.814 8.445 -6.593 382 HH21 ARG 43 HH21 ARG 43 18.330 8.509 -7.051 383 HH22 ARG 43 HH22 ARG 43 16.998 9.317 -6.357 384 H LYS 44 HN LYS 44 20.122 2.955 -7.229 385 HA LYS 44 HA LYS 44 21.435 0.495 -6.928 386 HB2 LYS 44 HB2 LYS 44 22.507 2.427 -7.988 387 HB3 LYS 44 HB3 LYS 44 22.195 3.436 -6.579 388 HG2 LYS 44 HG2 LYS 44 24.535 2.794 -6.651 389 HG3 LYS 44 HG3 LYS 44 23.757 2.141 -5.229 390 HD2 LYS 44 HD2 LYS 44 23.388 -0.017 -6.672 391 HD3 LYS 44 HD3 LYS 44 24.548 0.711 -7.767 392 HE2 LYS 44 HE2 LYS 44 25.774 -0.766 -6.307 393 HE3 LYS 44 HE3 LYS 44 26.158 0.881 -5.796 394 HZ1 LYS 44 HZ1 LYS 44 24.527 0.608 -3.975 395 HZ2 LYS 44 HZ2 LYS 44 25.683 -0.539 -3.900 396 HZ3 LYS 44 HZ3 LYS 44 24.193 -0.913 -4.459 397 H ASP 45 HN ASP 45 20.497 3.102 -4.673 398 HA ASP 45 HA ASP 45 21.227 1.437 -2.308 399 HB2 ASP 45 HB2 ASP 45 22.088 4.275 -3.012 400 HB3 ASP 45 HB3 ASP 45 22.184 3.619 -1.385 401 H GLU 46 HN GLU 46 18.581 1.961 -3.530 402 HA GLU 46 HA GLU 46 17.187 3.037 -1.215 403 HB2 GLU 46 HB2 GLU 46 17.619 4.708 -3.530 404 HB3 GLU 46 HB3 GLU 46 15.941 4.160 -3.589 405 HG2 GLU 46 HG2 GLU 46 15.587 4.987 -1.279 406 HG3 GLU 46 HG3 GLU 46 17.254 5.583 -1.249 407 H ALA 47 HN ALA 47 14.866 2.235 -1.347 408 HA ALA 47 HA ALA 47 14.233 0.507 -3.622 409 HB1 ALA 47 HB1 ALA 47 14.407 -0.452 -0.769 410 HB2 ALA 47 HB2 ALA 47 13.644 -1.360 -2.113 411 HB3 ALA 47 HB3 ALA 47 15.381 -1.005 -2.144 412 H VAL 48 HN VAL 48 12.021 0.215 -3.995 413 HA VAL 48 HA VAL 48 10.161 1.941 -2.476 414 HB VAL 48 HB VAL 48 9.645 2.835 -4.958 415 HG11 VAL 48 HG11 VAL 48 10.086 4.240 -3.017 416 HG12 VAL 48 HG12 VAL 48 11.840 3.991 -3.191 417 HG13 VAL 48 HG13 VAL 48 10.931 4.860 -4.438 418 HG21 VAL 48 HG21 VAL 48 11.561 3.296 -6.303 419 HG22 VAL 48 HG22 VAL 48 12.681 2.630 -5.109 420 HG23 VAL 48 HG23 VAL 48 11.575 1.552 -5.993 421 H LYS 49 HN LYS 49 8.750 0.283 -1.973 422 HA LYS 49 HA LYS 49 7.353 -1.049 -4.181 423 HB2 LYS 49 HB2 LYS 49 7.807 -3.320 -3.018 424 HB3 LYS 49 HB3 LYS 49 8.941 -2.671 -4.195 425 HG2 LYS 49 HG2 LYS 49 10.485 -1.948 -2.508 426 HG3 LYS 49 HG3 LYS 49 9.355 -2.372 -1.194 427 HD2 LYS 49 HD2 LYS 49 10.216 -4.445 -3.199 428 HD3 LYS 49 HD3 LYS 49 11.322 -3.996 -1.883 429 HE2 LYS 49 HE2 LYS 49 9.888 -4.789 -0.222 430 HE3 LYS 49 HE3 LYS 49 8.443 -4.641 -1.255 431 HZ1 LYS 49 HZ1 LYS 49 9.125 -6.912 -0.937 432 HZ2 LYS 49 HZ2 LYS 49 10.545 -6.679 -1.718 433 HZ3 LYS 49 HZ3 LYS 49 9.067 -6.474 -2.482 434 H GLN 50 HN GLN 50 5.672 0.112 -3.445 435 HA GLN 50 HA GLN 50 4.576 -0.395 -0.748 436 HB2 GLN 50 HB2 GLN 50 2.971 1.527 -1.609 437 HB3 GLN 50 HB3 GLN 50 4.545 1.821 -0.932 438 HG2 GLN 50 HG2 GLN 50 4.333 3.278 -2.731 439 HG3 GLN 50 HG3 GLN 50 5.505 2.101 -3.225 440 HE21 GLN 50 HE21 GLN 50 5.251 2.011 -5.425 441 HE22 GLN 50 HE22 GLN 50 3.730 1.878 -6.292 442 H TYR 51 HN TYR 51 1.836 -0.010 -1.407 443 HA TYR 51 HA TYR 51 1.080 -1.975 -3.431 444 HB2 TYR 51 HB2 TYR 51 0.016 -1.925 -0.568 445 HB3 TYR 51 HB3 TYR 51 -0.739 -2.797 -1.887 446 HD1 TYR 51 HD1 TYR 51 2.324 -2.588 0.216 447 HD2 TYR 51 HD2 TYR 51 0.078 -4.926 -2.618 448 HE1 TYR 51 HE1 TYR 51 3.959 -4.401 0.456 449 HE2 TYR 51 HE2 TYR 51 1.661 -6.812 -2.333 450 HH TYR 51 HH TYR 51 4.698 -6.372 -1.302 451 H HIS 52 HN HIS 52 -1.222 -1.579 -4.066 452 HA HIS 52 HA HIS 52 -2.270 1.117 -3.380 453 HB2 HIS 52 HB2 HIS 52 -1.599 1.201 -5.699 454 HB3 HIS 52 HB3 HIS 52 -2.309 -0.384 -6.025 455 HD1 HIS 52 HD1 HIS 52 -4.830 -0.393 -6.808 456 HD2 HIS 52 HD2 HIS 52 -3.483 3.267 -5.203 457 HE1 HIS 52 HE1 HIS 52 -6.725 1.253 -7.067 458 H LEU 53 HN LEU 53 -4.241 0.994 -2.430 459 HA LEU 53 HA LEU 53 -5.729 -1.579 -2.466 460 HB2 LEU 53 HB2 LEU 53 -5.729 0.553 -0.298 461 HB3 LEU 53 HB3 LEU 53 -6.427 -1.047 -0.260 462 HG LEU 53 HG LEU 53 -4.612 -0.899 1.206 463 HD11 LEU 53 HD11 LEU 53 -3.765 -2.630 -1.116 464 HD12 LEU 53 HD12 LEU 53 -4.887 -3.063 0.210 465 HD13 LEU 53 HD13 LEU 53 -3.176 -2.784 0.557 466 HD21 LEU 53 HD21 LEU 53 -2.500 -0.472 -0.885 467 HD22 LEU 53 HD22 LEU 53 -2.395 -0.389 0.880 468 HD23 LEU 53 HD23 LEU 53 -3.290 0.859 -0.008 469 H THR 54 HN THR 54 -8.159 -1.100 -2.221 470 HA THR 54 HA THR 54 -8.887 1.607 -3.190 471 HB THR 54 HB THR 54 -10.355 -0.943 -3.895 472 HG1 THR 54 HG1 THR 54 -8.272 -0.689 -4.922 473 HG21 THR 54 HG21 THR 54 -11.766 1.104 -3.852 474 HG22 THR 54 HG22 THR 54 -11.596 0.396 -5.460 475 HG23 THR 54 HG23 THR 54 -10.665 1.846 -5.036 476 H LEU 55 HN LEU 55 -10.017 2.675 -1.896 477 HA LEU 55 HA LEU 55 -11.169 1.499 0.602 478 HB2 LEU 55 HB2 LEU 55 -10.463 4.277 -0.343 479 HB3 LEU 55 HB3 LEU 55 -11.663 4.105 0.901 480 HG LEU 55 HG LEU 55 -9.456 4.608 1.770 481 HD11 LEU 55 HD11 LEU 55 -9.414 3.135 3.623 482 HD12 LEU 55 HD12 LEU 55 -10.268 1.900 2.710 483 HD13 LEU 55 HD13 LEU 55 -11.108 3.400 3.177 484 HD21 LEU 55 HD21 LEU 55 -7.659 3.088 1.825 485 HD22 LEU 55 HD22 LEU 55 -8.171 3.243 0.123 486 HD23 LEU 55 HD23 LEU 55 -8.609 1.805 1.044 487 H ARG 56 HN ARG 56 -13.314 2.298 1.233 488 HA ARG 56 HA ARG 56 -15.194 2.932 -0.983 489 HB2 ARG 56 HB2 ARG 56 -14.946 0.485 -0.550 490 HB3 ARG 56 HB3 ARG 56 -15.533 0.762 1.110 491 HG2 ARG 56 HG2 ARG 56 -17.731 1.367 0.290 492 HG3 ARG 56 HG3 ARG 56 -17.105 1.465 -1.365 493 HD2 ARG 56 HD2 ARG 56 -16.449 -0.995 -1.150 494 HD3 ARG 56 HD3 ARG 56 -17.435 -1.037 0.311 495 HE ARG 56 HE ARG 56 -18.929 0.065 -1.859 496 HH11 ARG 56 HH11 ARG 56 -17.624 -3.072 -0.719 497 HH12 ARG 56 HH12 ARG 56 -18.471 -3.980 -1.938 498 HH21 ARG 56 HH21 ARG 56 -20.075 -1.219 -3.387 499 HH22 ARG 56 HH22 ARG 56 -19.948 -2.958 -3.346 500 H GLU 57 HN GLU 57 -16.671 4.464 -0.372 501 HA GLU 57 HA GLU 57 -17.127 5.065 2.509 502 HB2 GLU 57 HB2 GLU 57 -15.544 6.700 1.747 503 HB3 GLU 57 HB3 GLU 57 -16.456 7.028 0.278 504 HG2 GLU 57 HG2 GLU 57 -17.781 7.430 2.981 505 HG3 GLU 57 HG3 GLU 57 -16.588 8.595 2.422 506 H GLY 58 HN GLY 58 -19.167 4.266 2.639 507 HA2 GLY 58 HA1 GLY 58 -21.350 3.825 2.223 508 HA3 GLY 58 HA2 GLY 58 -21.428 5.416 1.463 509 H SER 59 HN SER 59 -21.412 5.557 -0.774 510 HA SER 59 HA SER 59 -21.602 2.989 -2.299 511 HB2 SER 59 HB2 SER 59 -22.890 5.628 -3.000 512 HB3 SER 59 HB3 SER 59 -23.157 4.060 -3.754 513 HG SER 59 HG SER 59 -24.036 3.319 -1.756 514 H LYS 60 HN LYS 60 -19.366 5.423 -1.838 515 HA LYS 60 HA LYS 60 -18.459 5.377 -4.674 516 HB2 LYS 60 HB2 LYS 60 -18.394 7.584 -3.666 517 HB3 LYS 60 HB3 LYS 60 -17.538 6.998 -2.245 518 HG2 LYS 60 HG2 LYS 60 -15.603 6.820 -3.406 519 HG3 LYS 60 HG3 LYS 60 -16.343 6.641 -4.984 520 HD2 LYS 60 HD2 LYS 60 -15.221 8.691 -5.005 521 HD3 LYS 60 HD3 LYS 60 -16.945 9.055 -4.935 522 HE2 LYS 60 HE2 LYS 60 -16.778 9.688 -2.587 523 HE3 LYS 60 HE3 LYS 60 -15.117 9.074 -2.487 524 HZ1 LYS 60 HZ1 LYS 60 -15.914 11.309 -4.254 525 HZ2 LYS 60 HZ2 LYS 60 -14.383 10.761 -3.956 526 HZ3 LYS 60 HZ3 LYS 60 -15.232 11.504 -2.774 527 H GLU 61 HN GLU 61 -16.446 4.494 -5.150 528 HA GLU 61 HA GLU 61 -14.801 3.258 -3.060 529 HB2 GLU 61 HB2 GLU 61 -15.826 1.986 -5.563 530 HB3 GLU 61 HB3 GLU 61 -14.095 1.852 -5.343 531 HG2 GLU 61 HG2 GLU 61 -14.187 0.499 -3.515 532 HG3 GLU 61 HG3 GLU 61 -15.671 1.215 -2.923 533 H PHE 62 HN PHE 62 -12.611 3.751 -3.381 534 HA PHE 62 HA PHE 62 -11.763 5.261 -5.740 535 HB2 PHE 62 HB2 PHE 62 -10.892 7.156 -4.447 536 HB3 PHE 62 HB3 PHE 62 -12.641 7.089 -4.409 537 HD1 PHE 62 HD2 PHE 62 -13.828 6.376 -2.338 538 HD2 PHE 62 HD1 PHE 62 -9.563 6.918 -2.377 539 HE1 PHE 62 HE2 PHE 62 -13.859 6.562 0.104 540 HE2 PHE 62 HE1 PHE 62 -9.569 7.070 0.097 541 HZ PHE 62 HZ PHE 62 -11.699 6.913 1.359 542 H GLY 63 HN GLY 63 -9.440 5.142 -5.992 543 HA2 GLY 63 HA1 GLY 63 -8.184 3.017 -4.444 544 HA3 GLY 63 HA2 GLY 63 -7.529 3.921 -5.784 545 H VAL 64 HN VAL 64 -6.273 3.260 -3.143 546 HA VAL 64 HA VAL 64 -5.291 5.998 -2.753 547 HB VAL 64 HB VAL 64 -4.908 5.666 -0.460 548 HG11 VAL 64 HG11 VAL 64 -7.800 4.983 -1.140 549 HG12 VAL 64 HG12 VAL 64 -7.228 5.669 0.393 550 HG13 VAL 64 HG13 VAL 64 -7.077 6.573 -1.125 551 HG21 VAL 64 HG21 VAL 64 -5.766 3.781 0.850 552 HG22 VAL 64 HG22 VAL 64 -6.100 2.901 -0.677 553 HG23 VAL 64 HG23 VAL 64 -4.441 3.333 -0.208 554 H PHE 65 HN PHE 65 -3.272 6.228 -3.148 555 HA PHE 65 HA PHE 65 -1.542 3.891 -3.776 556 HB2 PHE 65 HB2 PHE 65 -1.336 6.862 -4.439 557 HB3 PHE 65 HB3 PHE 65 -0.073 5.677 -4.777 558 HD1 PHE 65 HD2 PHE 65 -0.812 3.578 -6.256 559 HD2 PHE 65 HD1 PHE 65 -3.017 7.261 -5.986 560 HE1 PHE 65 HE2 PHE 65 -1.938 3.066 -8.409 561 HE2 PHE 65 HE1 PHE 65 -4.156 6.745 -8.131 562 HZ PHE 65 HZ PHE 65 -3.617 4.644 -9.343 563 H VAL 66 HN VAL 66 -0.861 3.198 -1.764 564 HA VAL 66 HA VAL 66 0.108 5.015 0.302 565 HB VAL 66 HB VAL 66 0.798 2.077 -0.180 566 HG11 VAL 66 HG11 VAL 66 2.287 3.303 1.428 567 HG12 VAL 66 HG12 VAL 66 0.864 3.677 2.411 568 HG13 VAL 66 HG13 VAL 66 1.383 1.996 2.155 569 HG21 VAL 66 HG21 VAL 66 -1.465 3.274 1.490 570 HG22 VAL 66 HG22 VAL 66 -1.632 2.283 0.037 571 HG23 VAL 66 HG23 VAL 66 -0.970 1.572 1.513 572 H THR 67 HN THR 67 2.336 5.654 0.563 573 HA THR 67 HA THR 67 4.118 5.196 -1.782 574 HB THR 67 HB THR 67 3.273 7.720 -0.328 575 HG1 THR 67 HG1 THR 67 2.728 8.273 -2.513 576 HG21 THR 67 HG21 THR 67 4.793 8.989 -1.736 577 HG22 THR 67 HG22 THR 67 5.427 7.513 -2.463 578 HG23 THR 67 HG23 THR 67 5.726 7.848 -0.741 579 H ILE 68 HN ILE 68 5.947 4.130 -1.094 580 HA ILE 68 HA ILE 68 6.992 4.691 1.605 581 HB ILE 68 HB ILE 68 6.557 1.874 0.529 582 HG12 ILE 68 HG12 ILE 68 5.165 3.266 2.863 583 HG13 ILE 68 HG13 ILE 68 4.436 2.819 1.323 584 HG21 ILE 68 HG21 ILE 68 8.654 2.162 1.869 585 HG22 ILE 68 HG22 ILE 68 7.689 2.783 3.220 586 HG23 ILE 68 HG23 ILE 68 7.499 1.110 2.665 587 HD11 ILE 68 HD11 ILE 68 4.853 0.401 1.831 588 HD12 ILE 68 HD12 ILE 68 5.389 0.884 3.461 589 HD13 ILE 68 HD13 ILE 68 3.739 1.209 2.953 590 H SER 69 HN SER 69 9.054 5.173 1.422 591 HA SER 69 HA SER 69 10.771 3.961 -0.680 592 HB2 SER 69 HB2 SER 69 10.723 6.803 0.448 593 HB3 SER 69 HB3 SER 69 12.081 6.115 -0.450 594 HG SER 69 HG SER 69 9.453 6.200 -1.552 595 H PHE 70 HN PHE 70 12.557 2.934 0.256 596 HA PHE 70 HA PHE 70 13.399 3.689 2.952 597 HB2 PHE 70 HB2 PHE 70 13.267 1.433 3.821 598 HB3 PHE 70 HB3 PHE 70 11.672 1.982 3.394 599 HD1 PHE 70 HD2 PHE 70 10.827 1.182 0.946 600 HD2 PHE 70 HD1 PHE 70 14.223 -0.530 2.946 601 HE1 PHE 70 HE2 PHE 70 10.767 -0.730 -0.575 602 HE2 PHE 70 HE1 PHE 70 14.046 -2.562 1.512 603 HZ PHE 70 HZ PHE 70 12.309 -2.676 -0.242 604 H ASP 71 HN ASP 71 15.399 2.400 3.514 605 HA ASP 71 HA ASP 71 17.198 2.440 1.172 606 HB2 ASP 71 HB2 ASP 71 17.464 3.573 3.498 607 HB3 ASP 71 HB3 ASP 71 17.887 1.967 4.092 608 HA PRO 72 HA PRO 72 17.399 -2.119 1.357 609 HB2 PRO 72 HB2 PRO 72 19.587 -2.596 -0.174 610 HB3 PRO 72 HB3 PRO 72 17.996 -2.155 -0.847 611 HG2 PRO 72 HG2 PRO 72 20.355 -0.323 -0.316 612 HG3 PRO 72 HG3 PRO 72 19.368 -0.454 -1.808 613 HD2 PRO 72 HD2 PRO 72 18.840 1.454 0.021 614 HD3 PRO 72 HD3 PRO 72 17.505 0.583 -0.777 615 H TYR 73 HN TYR 73 19.901 0.110 2.386 616 HA TYR 73 HA TYR 73 21.952 -1.534 3.249 617 HB2 TYR 73 HB2 TYR 73 20.957 1.118 4.308 618 HB3 TYR 73 HB3 TYR 73 22.233 0.268 5.121 619 HD1 TYR 73 HD2 TYR 73 21.812 0.449 1.364 620 HD2 TYR 73 HD1 TYR 73 24.036 1.753 4.826 621 HE1 TYR 73 HE2 TYR 73 23.476 1.469 -0.094 622 HE2 TYR 73 HE1 TYR 73 25.731 2.777 3.349 623 HH TYR 73 HH TYR 73 26.121 3.510 1.106 624 H SER 74 HN SER 74 19.275 -0.405 5.384 625 HA SER 74 HA SER 74 18.715 -3.061 6.185 626 HB2 SER 74 HB2 SER 74 20.750 -2.411 7.725 627 HB3 SER 74 HB3 SER 74 19.555 -1.421 8.587 628 HG SER 74 HG SER 74 19.666 -4.225 8.157 629 H GLN 75 HN GLN 75 17.184 -1.430 4.867 630 HA GLN 75 HA GLN 75 15.106 -0.446 4.827 631 HB2 GLN 75 HB2 GLN 75 14.992 -2.515 7.024 632 HB3 GLN 75 HB3 GLN 75 13.562 -1.600 6.577 633 HG2 GLN 75 HG2 GLN 75 13.488 -3.662 5.399 634 HG3 GLN 75 HG3 GLN 75 13.742 -2.379 4.243 635 HE21 GLN 75 HE21 GLN 75 16.023 -2.093 3.259 636 HE22 GLN 75 HE22 GLN 75 16.821 -3.642 3.042 637 H LYS 76 HN LYS 76 16.797 1.402 5.762 638 HA LYS 76 HA LYS 76 15.618 2.821 8.038 639 HB2 LYS 76 HB2 LYS 76 17.812 3.189 6.092 640 HB3 LYS 76 HB3 LYS 76 16.791 4.609 6.131 641 HG2 LYS 76 HG2 LYS 76 17.674 3.394 8.743 642 HG3 LYS 76 HG3 LYS 76 18.859 4.283 7.761 643 HD2 LYS 76 HD2 LYS 76 17.289 6.263 7.719 644 HD3 LYS 76 HD3 LYS 76 16.254 5.386 8.846 645 HE2 LYS 76 HE2 LYS 76 17.590 6.926 10.104 646 HE3 LYS 76 HE3 LYS 76 18.172 5.300 10.470 647 HZ1 LYS 76 HZ1 LYS 76 19.499 7.097 8.533 648 HZ2 LYS 76 HZ2 LYS 76 20.076 5.674 9.143 649 HZ3 LYS 76 HZ3 LYS 76 19.893 6.970 10.126 650 H VAL 77 HN VAL 77 13.564 3.505 7.892 651 HA VAL 77 HA VAL 77 12.120 3.721 5.396 652 HB VAL 77 HB VAL 77 11.581 5.028 8.072 653 HG11 VAL 77 HG11 VAL 77 9.778 4.483 5.684 654 HG12 VAL 77 HG12 VAL 77 9.210 5.069 7.261 655 HG13 VAL 77 HG13 VAL 77 10.280 6.081 6.279 656 HG21 VAL 77 HG21 VAL 77 10.031 3.158 8.508 657 HG22 VAL 77 HG22 VAL 77 10.556 2.409 6.991 658 HG23 VAL 77 HG23 VAL 77 11.697 2.580 8.343 659 H ASN 78 HN ASN 78 12.589 5.180 3.882 660 HA ASN 78 HA ASN 78 14.286 7.507 4.534 661 HB2 ASN 78 HB2 ASN 78 13.358 6.414 1.864 662 HB3 ASN 78 HB3 ASN 78 14.403 7.802 2.104 663 HD21 ASN 78 HD21 ASN 78 15.482 5.559 0.617 664 HD22 ASN 78 HD22 ASN 78 16.628 4.784 1.712 665 H LYS 79 HN LYS 79 11.095 6.716 3.038 666 HA LYS 79 HA LYS 79 9.978 9.082 4.254 667 HB2 LYS 79 HB2 LYS 79 10.977 9.493 1.661 668 HB3 LYS 79 HB3 LYS 79 9.309 9.004 1.338 669 HG2 LYS 79 HG2 LYS 79 8.582 10.669 3.097 670 HG3 LYS 79 HG3 LYS 79 10.279 11.203 3.193 671 HD2 LYS 79 HD2 LYS 79 10.216 12.004 0.915 672 HD3 LYS 79 HD3 LYS 79 8.649 11.225 0.622 673 HE2 LYS 79 HE2 LYS 79 7.800 12.680 2.636 674 HE3 LYS 79 HE3 LYS 79 9.270 13.620 2.386 675 HZ1 LYS 79 HZ1 LYS 79 8.420 13.823 -0.006 676 HZ2 LYS 79 HZ2 LYS 79 7.618 14.659 1.183 677 HZ3 LYS 79 HZ3 LYS 79 6.957 13.311 0.591 678 H ILE 80 HN ILE 80 7.674 8.878 4.414 679 HA ILE 80 HA ILE 80 6.402 6.805 2.766 680 HB ILE 80 HB ILE 80 6.127 7.087 5.782 681 HG12 ILE 80 HG12 ILE 80 6.725 4.741 3.918 682 HG13 ILE 80 HG13 ILE 80 7.894 5.596 4.925 683 HG21 ILE 80 HG21 ILE 80 4.251 5.484 5.696 684 HG22 ILE 80 HG22 ILE 80 3.826 6.980 4.917 685 HG23 ILE 80 HG23 ILE 80 4.258 5.569 3.916 686 HD11 ILE 80 HD11 ILE 80 7.441 3.572 6.034 687 HD12 ILE 80 HD12 ILE 80 6.620 4.865 6.947 688 HD13 ILE 80 HD13 ILE 80 5.693 3.773 5.884 689 H ALA 81 HN ALA 81 4.202 7.361 2.238 690 HA ALA 81 HA ALA 81 2.932 9.571 3.519 691 HB1 ALA 81 HB1 ALA 81 3.400 9.791 0.498 692 HB2 ALA 81 HB2 ALA 81 2.367 10.848 1.480 693 HB3 ALA 81 HB3 ALA 81 4.109 10.850 1.742 694 H ILE 82 HN ILE 82 0.637 9.753 2.353 695 HA ILE 82 HA ILE 82 -0.299 7.167 1.277 696 HB ILE 82 HB ILE 82 -1.688 8.931 3.279 697 HG12 ILE 82 HG12 ILE 82 -0.008 7.161 4.102 698 HG13 ILE 82 HG13 ILE 82 -1.617 7.181 4.755 699 HG21 ILE 82 HG21 ILE 82 -3.392 8.354 1.713 700 HG22 ILE 82 HG22 ILE 82 -2.814 6.685 1.554 701 HG23 ILE 82 HG23 ILE 82 -3.575 7.230 3.055 702 HD11 ILE 82 HD11 ILE 82 -0.524 4.917 4.147 703 HD12 ILE 82 HD12 ILE 82 -2.249 5.169 3.805 704 HD13 ILE 82 HD13 ILE 82 -1.027 5.295 2.499 705 H LEU 83 HN LEU 83 -1.961 7.681 -0.507 706 HA LEU 83 HA LEU 83 -2.382 10.515 -1.161 707 HB2 LEU 83 HB2 LEU 83 -0.296 9.637 -2.416 708 HB3 LEU 83 HB3 LEU 83 -1.328 8.433 -3.104 709 HG LEU 83 HG LEU 83 -2.637 10.916 -3.560 710 HD11 LEU 83 HD11 LEU 83 0.254 11.059 -4.471 711 HD12 LEU 83 HD12 LEU 83 -0.436 12.015 -3.132 712 HD13 LEU 83 HD13 LEU 83 -1.024 12.223 -4.796 713 HD21 LEU 83 HD21 LEU 83 -2.123 10.442 -5.941 714 HD22 LEU 83 HD22 LEU 83 -2.918 9.140 -5.027 715 HD23 LEU 83 HD23 LEU 83 -1.174 9.046 -5.412 716 H GLU 84 HN GLU 84 -4.374 10.716 -2.309 717 HA GLU 84 HA GLU 84 -6.020 8.233 -2.579 718 HB2 GLU 84 HB2 GLU 84 -6.633 11.081 -1.748 719 HB3 GLU 84 HB3 GLU 84 -7.875 10.133 -2.565 720 HG2 GLU 84 HG2 GLU 84 -8.207 8.706 -0.821 721 HG3 GLU 84 HG3 GLU 84 -6.499 8.649 -0.432 722 H GLU 85 HN GLU 85 -7.273 7.987 -4.346 723 HA GLU 85 HA GLU 85 -6.757 9.499 -6.810 724 HB2 GLU 85 HB2 GLU 85 -6.811 7.094 -6.923 725 HB3 GLU 85 HB3 GLU 85 -8.352 7.022 -6.038 726 HG2 GLU 85 HG2 GLU 85 -9.604 7.826 -7.807 727 HG3 GLU 85 HG3 GLU 85 -8.204 8.577 -8.586 728 H TYR 86 HN TYR 86 -8.011 11.324 -7.232 729 HA TYR 86 HA TYR 86 -10.789 11.321 -6.348 730 HB2 TYR 86 HB2 TYR 86 -10.704 13.315 -5.095 731 HB3 TYR 86 HB3 TYR 86 -9.518 12.241 -4.415 732 HD1 TYR 86 HD1 TYR 86 -10.113 15.392 -6.170 733 HD2 TYR 86 HD2 TYR 86 -7.083 12.798 -4.550 734 HE1 TYR 86 HE1 TYR 86 -8.550 17.276 -6.128 735 HE2 TYR 86 HE2 TYR 86 -5.467 14.707 -4.536 736 HH TYR 86 HH TYR 86 -6.368 17.897 -5.916 737 H GLN 87 HN GLN 87 -12.119 12.557 -7.634 738 HA GLN 87 HA GLN 87 -11.065 14.398 -9.559 739 HB2 GLN 87 HB2 GLN 87 -12.949 12.498 -10.847 740 HB3 GLN 87 HB3 GLN 87 -11.642 13.441 -11.515 741 HG2 GLN 87 HG2 GLN 87 -11.101 11.164 -11.877 742 HG3 GLN 87 HG3 GLN 87 -10.043 11.694 -10.571 743 HE21 GLN 87 HE21 GLN 87 -9.839 9.623 -9.568 744 HE22 GLN 87 HE22 GLN 87 -11.205 8.882 -8.738 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 -16.862 -8.105 -8.178 2 HA2 GLY 1 HA1 GLY 1 -14.711 -8.859 -9.143 3 HA3 GLY 1 HA2 GLY 1 -14.504 -7.644 -7.866 4 H GLU 2 HN GLU 2 -12.547 -8.255 -6.980 5 HA GLU 2 HA GLU 2 -12.286 -10.703 -5.486 6 HB2 GLU 2 HB2 GLU 2 -10.247 -11.401 -6.649 7 HB3 GLU 2 HB3 GLU 2 -11.630 -11.506 -7.723 8 HG2 GLU 2 HG2 GLU 2 -9.652 -9.178 -7.778 9 HG3 GLU 2 HG3 GLU 2 -9.413 -10.666 -8.664 10 H GLU 3 HN GLU 3 -10.128 -10.555 -4.329 11 HA GLU 3 HA GLU 3 -9.232 -7.723 -3.996 12 HB2 GLU 3 HB2 GLU 3 -9.731 -9.853 -1.902 13 HB3 GLU 3 HB3 GLU 3 -8.691 -8.451 -1.607 14 HG2 GLU 3 HG2 GLU 3 -10.542 -6.926 -2.093 15 HG3 GLU 3 HG3 GLU 3 -11.580 -8.269 -2.547 16 H THR 4 HN THR 4 -8.058 -11.061 -3.098 17 HA THR 4 HA THR 4 -5.761 -10.608 -4.869 18 HB THR 4 HB THR 4 -4.223 -11.482 -3.114 19 HG1 THR 4 HG1 THR 4 -6.523 -11.484 -1.570 20 HG21 THR 4 HG21 THR 4 -5.450 -8.899 -2.157 21 HG22 THR 4 HG22 THR 4 -4.516 -9.050 -3.659 22 HG23 THR 4 HG23 THR 4 -3.744 -9.389 -2.116 23 HA PRO 5 HA PRO 5 -6.468 -14.925 -5.637 24 HB2 PRO 5 HB2 PRO 5 -4.066 -15.821 -6.565 25 HB3 PRO 5 HB3 PRO 5 -5.066 -14.640 -7.469 26 HG2 PRO 5 HG2 PRO 5 -2.738 -14.049 -5.594 27 HG3 PRO 5 HG3 PRO 5 -2.981 -13.450 -7.270 28 HD2 PRO 5 HD2 PRO 5 -3.687 -11.962 -5.127 29 HD3 PRO 5 HD3 PRO 5 -4.694 -11.980 -6.604 30 H LEU 6 HN LEU 6 -4.383 -13.898 -3.093 31 HA LEU 6 HA LEU 6 -3.809 -16.651 -2.158 32 HB2 LEU 6 HB2 LEU 6 -2.461 -15.701 -0.460 33 HB3 LEU 6 HB3 LEU 6 -1.929 -15.226 -2.043 34 HG LEU 6 HG LEU 6 -3.738 -13.244 -0.768 35 HD11 LEU 6 HD11 LEU 6 -0.989 -13.703 0.469 36 HD12 LEU 6 HD12 LEU 6 -2.547 -14.053 1.253 37 HD13 LEU 6 HD13 LEU 6 -2.107 -12.393 0.841 38 HD21 LEU 6 HD21 LEU 6 -2.090 -11.656 -1.588 39 HD22 LEU 6 HD22 LEU 6 -2.424 -12.837 -2.864 40 HD23 LEU 6 HD23 LEU 6 -0.933 -12.961 -1.913 41 H VAL 7 HN VAL 7 -6.363 -16.530 -2.288 42 HA VAL 7 HA VAL 7 -7.554 -15.762 0.246 43 HB VAL 7 HB VAL 7 -9.489 -17.091 -0.551 44 HG11 VAL 7 HG11 VAL 7 -8.461 -15.214 -2.717 45 HG12 VAL 7 HG12 VAL 7 -10.137 -15.572 -2.294 46 HG13 VAL 7 HG13 VAL 7 -9.117 -14.674 -1.163 47 HG21 VAL 7 HG21 VAL 7 -9.570 -18.015 -2.789 48 HG22 VAL 7 HG22 VAL 7 -7.900 -17.553 -3.118 49 HG23 VAL 7 HG23 VAL 7 -8.254 -18.800 -1.900 50 H THR 8 HN THR 8 -5.195 -18.003 -0.306 51 HA THR 8 HA THR 8 -6.193 -19.965 1.643 52 HB THR 8 HB THR 8 -4.705 -20.637 -0.319 53 HG1 THR 8 HG1 THR 8 -4.772 -22.085 1.333 54 HG21 THR 8 HG21 THR 8 -3.058 -18.709 -0.126 55 HG22 THR 8 HG22 THR 8 -2.307 -20.312 -0.122 56 HG23 THR 8 HG23 THR 8 -2.514 -19.432 1.399 57 H ALA 9 HN ALA 9 -4.838 -20.231 3.611 58 HA ALA 9 HA ALA 9 -4.124 -17.800 5.025 59 HB1 ALA 9 HB1 ALA 9 -3.253 -19.452 6.669 60 HB2 ALA 9 HB2 ALA 9 -4.922 -19.834 6.158 61 HB3 ALA 9 HB3 ALA 9 -3.544 -20.744 5.501 62 H ARG 10 HN ARG 10 -2.309 -16.648 4.427 63 HA ARG 10 HA ARG 10 0.190 -18.150 3.991 64 HB2 ARG 10 HB2 ARG 10 -1.236 -16.464 2.040 65 HB3 ARG 10 HB3 ARG 10 0.438 -16.001 2.222 66 HG2 ARG 10 HG2 ARG 10 -0.295 -18.939 1.865 67 HG3 ARG 10 HG3 ARG 10 -0.236 -17.852 0.511 68 HD2 ARG 10 HD2 ARG 10 1.859 -18.951 0.584 69 HD3 ARG 10 HD3 ARG 10 2.111 -17.267 1.055 70 HE ARG 10 HE ARG 10 1.778 -19.246 3.259 71 HH11 ARG 10 HH11 ARG 10 4.132 -17.798 1.009 72 HH12 ARG 10 HH12 ARG 10 5.470 -18.044 2.063 73 HH21 ARG 10 HH21 ARG 10 3.643 -19.553 4.686 74 HH22 ARG 10 HH22 ARG 10 5.173 -18.983 4.156 75 H HIS 11 HN HIS 11 1.754 -15.788 3.580 76 HA HIS 11 HA HIS 11 1.461 -14.357 6.143 77 HB2 HIS 11 HB2 HIS 11 4.048 -15.080 4.671 78 HB3 HIS 11 HB3 HIS 11 3.921 -13.849 5.925 79 HD1 HIS 11 HD1 HIS 11 5.061 -14.822 8.077 80 HD2 HIS 11 HD2 HIS 11 2.683 -17.594 5.931 81 HE1 HIS 11 HE1 HIS 11 5.159 -16.992 9.350 82 H MET 12 HN MET 12 1.677 -12.110 5.830 83 HA MET 12 HA MET 12 1.391 -11.154 3.039 84 HB2 MET 12 HB2 MET 12 1.125 -9.852 5.764 85 HB3 MET 12 HB3 MET 12 1.145 -8.909 4.276 86 HG2 MET 12 HG2 MET 12 -0.799 -10.112 3.412 87 HG3 MET 12 HG3 MET 12 -0.748 -11.195 4.780 88 HE1 MET 12 HE1 MET 12 -2.604 -7.927 3.468 89 HE2 MET 12 HE2 MET 12 -2.673 -6.981 4.947 90 HE3 MET 12 HE3 MET 12 -1.105 -7.210 4.150 91 H SER 13 HN SER 13 2.831 -9.658 2.133 92 HA SER 13 HA SER 13 5.600 -10.127 2.579 93 HB2 SER 13 HB2 SER 13 4.262 -9.389 0.439 94 HB3 SER 13 HB3 SER 13 4.525 -7.757 1.064 95 HG SER 13 HG SER 13 6.221 -9.543 -0.083 96 H LYS 14 HN LYS 14 7.178 -8.321 2.830 97 HA LYS 14 HA LYS 14 7.197 -7.442 5.441 98 HB2 LYS 14 HB2 LYS 14 9.175 -7.558 3.874 99 HB3 LYS 14 HB3 LYS 14 8.603 -6.087 3.093 100 HG2 LYS 14 HG2 LYS 14 10.217 -5.298 4.578 101 HG3 LYS 14 HG3 LYS 14 8.741 -5.022 5.457 102 HD2 LYS 14 HD2 LYS 14 9.181 -7.379 6.538 103 HD3 LYS 14 HD3 LYS 14 10.815 -7.202 5.860 104 HE2 LYS 14 HE2 LYS 14 10.926 -4.943 7.052 105 HE3 LYS 14 HE3 LYS 14 9.408 -5.349 7.842 106 HZ1 LYS 14 HZ1 LYS 14 10.409 -7.052 9.040 107 HZ2 LYS 14 HZ2 LYS 14 11.543 -5.861 9.043 108 HZ3 LYS 14 HZ3 LYS 14 11.747 -7.116 8.045 109 H TRP 15 HN TRP 15 6.166 -5.537 2.615 110 HA TRP 15 HA TRP 15 5.415 -3.321 4.424 111 HB2 TRP 15 HB2 TRP 15 5.752 -3.324 1.422 112 HB3 TRP 15 HB3 TRP 15 5.590 -1.922 2.471 113 HD1 TRP 15 HD1 TRP 15 8.137 -4.182 0.978 114 HE1 TRP 15 HE1 TRP 15 10.492 -3.654 1.812 115 HE3 TRP 15 HE3 TRP 15 6.933 -1.048 4.925 116 HZ2 TRP 15 HZ2 TRP 15 11.679 -2.076 3.944 117 HZ3 TRP 15 HZ3 TRP 15 8.680 -0.268 6.415 118 HH2 TRP 15 HH2 TRP 15 11.071 -0.795 5.952 119 H GLU 16 HN GLU 16 3.831 -5.960 3.049 120 HA GLU 16 HA GLU 16 1.599 -4.714 1.754 121 HB2 GLU 16 HB2 GLU 16 2.157 -7.453 2.867 122 HB3 GLU 16 HB3 GLU 16 0.471 -6.993 2.648 123 HG2 GLU 16 HG2 GLU 16 0.926 -6.419 0.289 124 HG3 GLU 16 HG3 GLU 16 2.574 -7.058 0.476 125 H GLU 17 HN GLU 17 2.168 -5.855 5.066 126 HA GLU 17 HA GLU 17 -0.415 -5.218 6.050 127 HB2 GLU 17 HB2 GLU 17 2.217 -5.524 7.573 128 HB3 GLU 17 HB3 GLU 17 0.581 -5.633 8.261 129 HG2 GLU 17 HG2 GLU 17 0.135 -7.533 6.657 130 HG3 GLU 17 HG3 GLU 17 1.842 -7.492 6.172 131 H ILE 18 HN ILE 18 2.690 -3.476 6.286 132 HA ILE 18 HA ILE 18 1.862 -1.213 7.782 133 HB ILE 18 HB ILE 18 4.035 -1.651 5.693 134 HG12 ILE 18 HG12 ILE 18 4.248 -1.402 8.730 135 HG13 ILE 18 HG13 ILE 18 4.041 -2.956 7.924 136 HG21 ILE 18 HG21 ILE 18 5.132 0.411 6.662 137 HG22 ILE 18 HG22 ILE 18 3.689 0.731 5.739 138 HG23 ILE 18 HG23 ILE 18 3.620 0.761 7.515 139 HD11 ILE 18 HD11 ILE 18 6.424 -1.096 7.572 140 HD12 ILE 18 HD12 ILE 18 6.374 -2.653 8.394 141 HD13 ILE 18 HD13 ILE 18 6.130 -2.592 6.643 142 H ALA 19 HN ALA 19 1.754 -1.813 4.219 143 HA ALA 19 HA ALA 19 0.764 0.759 3.581 144 HB1 ALA 19 HB1 ALA 19 0.362 -1.879 2.138 145 HB2 ALA 19 HB2 ALA 19 0.018 -0.270 1.473 146 HB3 ALA 19 HB3 ALA 19 1.686 -0.707 1.912 147 H VAL 20 HN VAL 20 -1.048 -2.323 4.077 148 HA VAL 20 HA VAL 20 -3.612 -1.175 3.698 149 HB VAL 20 HB VAL 20 -2.703 -3.592 5.353 150 HG11 VAL 20 HG11 VAL 20 -4.981 -2.943 6.049 151 HG12 VAL 20 HG12 VAL 20 -5.511 -2.963 4.361 152 HG13 VAL 20 HG13 VAL 20 -4.997 -4.468 5.142 153 HG21 VAL 20 HG21 VAL 20 -2.296 -3.585 2.786 154 HG22 VAL 20 HG22 VAL 20 -3.081 -4.986 3.522 155 HG23 VAL 20 HG23 VAL 20 -4.041 -3.783 2.641 156 H LYS 21 HN LYS 21 -1.607 -1.582 6.662 157 HA LYS 21 HA LYS 21 -3.533 -0.799 8.585 158 HB2 LYS 21 HB2 LYS 21 -0.495 -0.557 8.486 159 HB3 LYS 21 HB3 LYS 21 -1.426 0.097 9.838 160 HG2 LYS 21 HG2 LYS 21 -2.317 -2.080 10.412 161 HG3 LYS 21 HG3 LYS 21 -1.554 -2.832 9.007 162 HD2 LYS 21 HD2 LYS 21 0.684 -2.087 9.889 163 HD3 LYS 21 HD3 LYS 21 -0.112 -1.497 11.342 164 HE2 LYS 21 HE2 LYS 21 -0.010 -4.393 10.370 165 HE3 LYS 21 HE3 LYS 21 0.960 -3.680 11.672 166 HZ1 LYS 21 HZ1 LYS 21 -1.945 -4.167 11.689 167 HZ2 LYS 21 HZ2 LYS 21 -1.203 -3.207 12.804 168 HZ3 LYS 21 HZ3 LYS 21 -0.799 -4.803 12.690 169 H GLU 22 HN GLU 22 -1.029 1.317 6.957 170 HA GLU 22 HA GLU 22 -2.115 3.659 8.149 171 HB2 GLU 22 HB2 GLU 22 -0.533 3.369 5.577 172 HB3 GLU 22 HB3 GLU 22 -0.832 4.901 6.429 173 HG2 GLU 22 HG2 GLU 22 0.738 2.531 7.491 174 HG3 GLU 22 HG3 GLU 22 1.414 4.031 6.917 175 H ALA 23 HN ALA 23 -3.060 2.008 5.166 176 HA ALA 23 HA ALA 23 -4.780 4.093 4.193 177 HB1 ALA 23 HB1 ALA 23 -4.024 2.246 2.770 178 HB2 ALA 23 HB2 ALA 23 -4.937 1.077 3.753 179 HB3 ALA 23 HB3 ALA 23 -5.791 2.322 2.818 180 H LYS 24 HN LYS 24 -5.335 1.465 6.614 181 HA LYS 24 HA LYS 24 -8.150 2.392 6.880 182 HB2 LYS 24 HB2 LYS 24 -8.605 0.585 8.230 183 HB3 LYS 24 HB3 LYS 24 -7.643 -0.060 6.904 184 HG2 LYS 24 HG2 LYS 24 -5.754 -0.405 8.282 185 HG3 LYS 24 HG3 LYS 24 -6.319 0.740 9.512 186 HD2 LYS 24 HD2 LYS 24 -6.523 -1.571 10.273 187 HD3 LYS 24 HD3 LYS 24 -8.097 -0.740 10.175 188 HE2 LYS 24 HE2 LYS 24 -8.807 -1.920 8.300 189 HE3 LYS 24 HE3 LYS 24 -7.178 -2.478 7.879 190 HZ1 LYS 24 HZ1 LYS 24 -7.273 -4.128 9.429 191 HZ2 LYS 24 HZ2 LYS 24 -8.851 -4.062 9.025 192 HZ3 LYS 24 HZ3 LYS 24 -8.386 -3.373 10.413 193 H LYS 25 HN LYS 25 -5.174 3.253 8.191 194 HA LYS 25 HA LYS 25 -6.327 4.139 10.729 195 HB2 LYS 25 HB2 LYS 25 -3.602 4.576 9.451 196 HB3 LYS 25 HB3 LYS 25 -4.068 5.257 11.000 197 HG2 LYS 25 HG2 LYS 25 -4.300 3.092 12.026 198 HG3 LYS 25 HG3 LYS 25 -4.233 2.263 10.485 199 HD2 LYS 25 HD2 LYS 25 -2.126 1.987 11.673 200 HD3 LYS 25 HD3 LYS 25 -1.875 2.926 10.198 201 HE2 LYS 25 HE2 LYS 25 -2.139 5.025 11.665 202 HE3 LYS 25 HE3 LYS 25 -2.025 3.944 13.064 203 HZ1 LYS 25 HZ1 LYS 25 0.009 4.357 10.952 204 HZ2 LYS 25 HZ2 LYS 25 0.196 3.314 12.227 205 HZ3 LYS 25 HZ3 LYS 25 0.062 4.916 12.509 206 H ARG 26 HN ARG 26 -5.037 5.676 7.722 207 HA ARG 26 HA ARG 26 -5.413 8.298 8.794 208 HB2 ARG 26 HB2 ARG 26 -3.509 7.549 7.387 209 HB3 ARG 26 HB3 ARG 26 -4.579 7.425 5.992 210 HG2 ARG 26 HG2 ARG 26 -4.790 9.725 5.761 211 HG3 ARG 26 HG3 ARG 26 -4.485 10.043 7.485 212 HD2 ARG 26 HD2 ARG 26 -2.103 9.556 7.178 213 HD3 ARG 26 HD3 ARG 26 -2.392 9.266 5.443 214 HE ARG 26 HE ARG 26 -3.467 11.777 6.178 215 HH11 ARG 26 HH11 ARG 26 -0.210 10.371 5.622 216 HH12 ARG 26 HH12 ARG 26 0.428 11.910 5.082 217 HH21 ARG 26 HH21 ARG 26 -2.591 13.647 5.596 218 HH22 ARG 26 HH22 ARG 26 -0.961 13.828 5.028 219 H TYR 27 HN TYR 27 -8.060 6.623 7.788 220 HA TYR 27 HA TYR 27 -9.128 8.756 5.995 221 HB2 TYR 27 HB2 TYR 27 -8.923 5.769 5.445 222 HB3 TYR 27 HB3 TYR 27 -10.076 6.819 4.643 223 HD1 TYR 27 HD2 TYR 27 -6.475 6.052 4.978 224 HD2 TYR 27 HD1 TYR 27 -9.495 8.391 2.992 225 HE1 TYR 27 HE2 TYR 27 -4.864 6.535 3.173 226 HE2 TYR 27 HE1 TYR 27 -7.893 8.915 1.182 227 HH TYR 27 HH TYR 27 -5.511 8.913 0.689 228 HA PRO 28 HA PRO 28 -11.393 7.061 9.689 229 HB2 PRO 28 HB2 PRO 28 -12.416 9.458 10.675 230 HB3 PRO 28 HB3 PRO 28 -10.783 8.805 11.025 231 HG2 PRO 28 HG2 PRO 28 -11.561 10.842 8.911 232 HG3 PRO 28 HG3 PRO 28 -10.135 10.850 10.015 233 HD2 PRO 28 HD2 PRO 28 -9.777 10.127 7.565 234 HD3 PRO 28 HD3 PRO 28 -8.990 9.277 8.923 235 H LEU 29 HN LEU 29 -12.615 8.992 7.000 236 HA LEU 29 HA LEU 29 -15.432 8.496 7.747 237 HB2 LEU 29 HB2 LEU 29 -14.072 9.774 5.357 238 HB3 LEU 29 HB3 LEU 29 -15.769 9.357 5.319 239 HG LEU 29 HG LEU 29 -15.475 11.685 5.861 240 HD11 LEU 29 HD11 LEU 29 -16.552 10.223 8.302 241 HD12 LEU 29 HD12 LEU 29 -17.426 10.425 6.765 242 HD13 LEU 29 HD13 LEU 29 -16.989 11.833 7.743 243 HD21 LEU 29 HD21 LEU 29 -14.160 10.844 8.470 244 HD22 LEU 29 HD22 LEU 29 -14.534 12.485 7.940 245 HD23 LEU 29 HD23 LEU 29 -13.307 11.550 7.075 246 H ALA 30 HN ALA 30 -12.938 6.814 5.972 247 HA ALA 30 HA ALA 30 -14.947 5.212 4.460 248 HB1 ALA 30 HB1 ALA 30 -12.081 5.890 3.697 249 HB2 ALA 30 HB2 ALA 30 -13.338 5.156 2.674 250 HB3 ALA 30 HB3 ALA 30 -13.463 6.856 3.184 251 H GLN 31 HN GLN 31 -13.931 3.034 3.757 252 HA GLN 31 HA GLN 31 -12.359 1.872 6.048 253 HB2 GLN 31 HB2 GLN 31 -14.427 0.293 4.550 254 HB3 GLN 31 HB3 GLN 31 -13.762 0.047 6.155 255 HG2 GLN 31 HG2 GLN 31 -15.817 0.848 6.777 256 HG3 GLN 31 HG3 GLN 31 -14.939 2.362 6.659 257 HE21 GLN 31 HE21 GLN 31 -16.502 0.204 4.262 258 HE22 GLN 31 HE22 GLN 31 -17.573 1.451 3.599 259 H VAL 32 HN VAL 32 -11.086 -0.017 5.521 260 HA VAL 32 HA VAL 32 -10.327 -0.151 2.641 261 HB VAL 32 HB VAL 32 -8.874 -1.039 5.162 262 HG11 VAL 32 HG11 VAL 32 -6.917 -1.298 3.612 263 HG12 VAL 32 HG12 VAL 32 -8.202 -2.466 3.258 264 HG13 VAL 32 HG13 VAL 32 -7.999 -1.022 2.245 265 HG21 VAL 32 HG21 VAL 32 -7.288 0.742 4.586 266 HG22 VAL 32 HG22 VAL 32 -8.326 1.280 3.275 267 HG23 VAL 32 HG23 VAL 32 -8.890 1.408 4.952 268 H LEU 33 HN LEU 33 -10.811 -1.963 1.490 269 HA LEU 33 HA LEU 33 -11.589 -4.468 2.812 270 HB2 LEU 33 HB2 LEU 33 -13.571 -4.491 1.255 271 HB3 LEU 33 HB3 LEU 33 -13.726 -3.477 2.676 272 HG LEU 33 HG LEU 33 -12.688 -2.130 0.192 273 HD11 LEU 33 HD11 LEU 33 -14.432 -3.499 -0.817 274 HD12 LEU 33 HD12 LEU 33 -14.925 -1.795 -0.756 275 HD13 LEU 33 HD13 LEU 33 -15.603 -2.963 0.408 276 HD21 LEU 33 HD21 LEU 33 -13.243 -1.034 2.468 277 HD22 LEU 33 HD22 LEU 33 -14.937 -1.303 2.076 278 HD23 LEU 33 HD23 LEU 33 -13.911 -0.288 1.025 279 H PHE 34 HN PHE 34 -9.195 -3.561 1.160 280 HA PHE 34 HA PHE 34 -9.410 -5.458 -1.022 281 HB2 PHE 34 HB2 PHE 34 -9.999 -2.636 -1.345 282 HB3 PHE 34 HB3 PHE 34 -8.507 -2.985 -2.187 283 HD1 PHE 34 HD2 PHE 34 -8.447 -4.543 -4.073 284 HD2 PHE 34 HD1 PHE 34 -12.154 -3.566 -2.112 285 HE1 PHE 34 HE2 PHE 34 -9.694 -5.283 -6.077 286 HE2 PHE 34 HE1 PHE 34 -13.413 -4.337 -4.112 287 HZ PHE 34 HZ PHE 34 -12.179 -5.183 -6.093 288 H LYS 35 HN LYS 35 -7.227 -5.422 -2.293 289 HA LYS 35 HA LYS 35 -4.976 -4.007 -1.271 290 HB2 LYS 35 HB2 LYS 35 -4.978 -5.564 0.599 291 HB3 LYS 35 HB3 LYS 35 -5.288 -6.938 -0.456 292 HG2 LYS 35 HG2 LYS 35 -3.060 -6.792 -1.396 293 HG3 LYS 35 HG3 LYS 35 -2.777 -5.219 -0.587 294 HD2 LYS 35 HD2 LYS 35 -1.619 -6.928 0.621 295 HD3 LYS 35 HD3 LYS 35 -3.015 -6.477 1.623 296 HE2 LYS 35 HE2 LYS 35 -4.213 -8.436 1.081 297 HE3 LYS 35 HE3 LYS 35 -3.338 -8.647 -0.431 298 HZ1 LYS 35 HZ1 LYS 35 -2.183 -9.189 2.196 299 HZ2 LYS 35 HZ2 LYS 35 -1.428 -9.348 0.720 300 HZ3 LYS 35 HZ3 LYS 35 -2.755 -10.293 1.114 301 H GLN 36 HN GLN 36 -4.667 -3.525 -3.524 302 HA GLN 36 HA GLN 36 -4.278 -5.887 -5.324 303 HB2 GLN 36 HB2 GLN 36 -4.922 -3.038 -6.161 304 HB3 GLN 36 HB3 GLN 36 -4.714 -4.481 -7.179 305 HG2 GLN 36 HG2 GLN 36 -6.661 -5.437 -5.632 306 HG3 GLN 36 HG3 GLN 36 -7.006 -3.705 -5.473 307 HE21 GLN 36 HE21 GLN 36 -7.826 -6.388 -7.248 308 HE22 GLN 36 HE22 GLN 36 -8.421 -5.563 -8.673 309 H LYS 37 HN LYS 37 -2.532 -5.334 -7.026 310 HA LYS 37 HA LYS 37 -0.121 -4.799 -5.406 311 HB2 LYS 37 HB2 LYS 37 -0.838 -6.523 -7.654 312 HB3 LYS 37 HB3 LYS 37 0.624 -5.617 -8.027 313 HG2 LYS 37 HG2 LYS 37 1.620 -6.349 -5.863 314 HG3 LYS 37 HG3 LYS 37 0.163 -7.320 -5.545 315 HD2 LYS 37 HD2 LYS 37 0.556 -8.580 -7.647 316 HD3 LYS 37 HD3 LYS 37 2.006 -7.598 -7.964 317 HE2 LYS 37 HE2 LYS 37 2.961 -8.399 -5.789 318 HE3 LYS 37 HE3 LYS 37 1.565 -9.480 -5.599 319 HZ1 LYS 37 HZ1 LYS 37 2.226 -10.503 -7.691 320 HZ2 LYS 37 HZ2 LYS 37 3.424 -10.620 -6.548 321 HZ3 LYS 37 HZ3 LYS 37 3.574 -9.527 -7.774 322 H VAL 38 HN VAL 38 1.810 -3.964 -7.116 323 HA VAL 38 HA VAL 38 0.899 -1.639 -8.603 324 HB VAL 38 HB VAL 38 1.143 -1.144 -6.021 325 HG11 VAL 38 HG11 VAL 38 4.049 -0.856 -6.803 326 HG12 VAL 38 HG12 VAL 38 3.341 -0.547 -5.272 327 HG13 VAL 38 HG13 VAL 38 3.399 -2.204 -5.847 328 HG21 VAL 38 HG21 VAL 38 0.652 0.537 -7.691 329 HG22 VAL 38 HG22 VAL 38 1.719 1.146 -6.433 330 HG23 VAL 38 HG23 VAL 38 2.389 0.758 -8.027 331 H TRP 39 HN TRP 39 3.086 -0.412 -9.380 332 HA TRP 39 HA TRP 39 5.193 -2.246 -10.296 333 HB2 TRP 39 HB2 TRP 39 4.516 -0.337 -11.697 334 HB3 TRP 39 HB3 TRP 39 4.818 0.777 -10.385 335 HD1 TRP 39 HD1 TRP 39 6.771 -1.644 -12.670 336 HE1 TRP 39 HE1 TRP 39 9.034 -0.599 -13.232 337 HE3 TRP 39 HE3 TRP 39 6.615 2.383 -9.501 338 HZ2 TRP 39 HZ2 TRP 39 10.616 1.668 -12.371 339 HZ3 TRP 39 HZ3 TRP 39 8.582 3.890 -9.312 340 HH2 TRP 39 HH2 TRP 39 10.551 3.569 -10.782 341 H ASP 40 HN ASP 40 6.281 -3.082 -8.439 342 HA ASP 40 HA ASP 40 7.330 -1.080 -6.471 343 HB2 ASP 40 HB2 ASP 40 7.583 -2.702 -4.900 344 HB3 ASP 40 HB3 ASP 40 5.976 -2.957 -5.519 345 H ARG 41 HN ARG 41 9.546 -0.709 -6.456 346 HA ARG 41 HA ARG 41 11.278 -2.250 -8.299 347 HB2 ARG 41 HB2 ARG 41 9.931 -0.446 -9.488 348 HB3 ARG 41 HB3 ARG 41 10.739 0.756 -8.506 349 HG2 ARG 41 HG2 ARG 41 12.542 -1.132 -9.970 350 HG3 ARG 41 HG3 ARG 41 11.518 -0.117 -10.987 351 HD2 ARG 41 HD2 ARG 41 12.418 1.919 -10.137 352 HD3 ARG 41 HD3 ARG 41 13.243 1.095 -8.815 353 HE ARG 41 HE ARG 41 14.202 -0.075 -11.172 354 HH11 ARG 41 HH11 ARG 41 14.487 3.161 -9.560 355 HH12 ARG 41 HH12 ARG 41 16.090 3.351 -10.200 356 HH21 ARG 41 HH21 ARG 41 16.294 0.243 -11.743 357 HH22 ARG 41 HH22 ARG 41 17.091 1.783 -11.500 358 H LYS 42 HN LYS 42 13.605 -1.486 -8.145 359 HA LYS 42 HA LYS 42 14.217 -0.431 -5.423 360 HB2 LYS 42 HB2 LYS 42 14.414 -2.917 -5.707 361 HB3 LYS 42 HB3 LYS 42 15.652 -2.600 -6.935 362 HG2 LYS 42 HG2 LYS 42 17.114 -1.581 -5.297 363 HG3 LYS 42 HG3 LYS 42 15.844 -1.650 -4.070 364 HD2 LYS 42 HD2 LYS 42 17.353 -3.370 -3.579 365 HD3 LYS 42 HD3 LYS 42 15.934 -4.181 -4.229 366 HE2 LYS 42 HE2 LYS 42 18.443 -3.539 -5.872 367 HE3 LYS 42 HE3 LYS 42 18.246 -5.004 -4.929 368 HZ1 LYS 42 HZ1 LYS 42 17.621 -5.649 -6.968 369 HZ2 LYS 42 HZ2 LYS 42 16.839 -4.257 -7.374 370 HZ3 LYS 42 HZ3 LYS 42 16.149 -5.326 -6.309 371 H ARG 43 HN ARG 43 16.205 0.615 -5.192 372 HA ARG 43 HA ARG 43 17.364 2.010 -7.572 373 HB2 ARG 43 HB2 ARG 43 15.786 3.389 -6.680 374 HB3 ARG 43 HB3 ARG 43 16.193 3.050 -5.025 375 HG2 ARG 43 HG2 ARG 43 17.971 4.435 -4.966 376 HG3 ARG 43 HG3 ARG 43 18.392 4.191 -6.685 377 HD2 ARG 43 HD2 ARG 43 16.450 5.376 -7.374 378 HD3 ARG 43 HD3 ARG 43 16.012 5.779 -5.685 379 HE ARG 43 HE ARG 43 18.650 6.645 -5.984 380 HH11 ARG 43 HH11 ARG 43 15.499 7.801 -6.965 381 HH12 ARG 43 HH12 ARG 43 16.063 9.029 -8.024 382 HH21 ARG 43 HH21 ARG 43 19.418 8.468 -7.105 383 HH22 ARG 43 HH22 ARG 43 18.417 9.400 -8.195 384 H LYS 44 HN LYS 44 19.687 2.779 -6.844 385 HA LYS 44 HA LYS 44 21.189 0.611 -5.675 386 HB2 LYS 44 HB2 LYS 44 22.059 3.538 -5.826 387 HB3 LYS 44 HB3 LYS 44 23.066 2.129 -5.617 388 HG2 LYS 44 HG2 LYS 44 23.412 2.721 -7.816 389 HG3 LYS 44 HG3 LYS 44 22.321 1.348 -7.934 390 HD2 LYS 44 HD2 LYS 44 20.664 2.591 -8.875 391 HD3 LYS 44 HD3 LYS 44 20.880 3.932 -7.756 392 HE2 LYS 44 HE2 LYS 44 22.712 3.440 -10.136 393 HE3 LYS 44 HE3 LYS 44 21.297 4.512 -10.160 394 HZ1 LYS 44 HZ1 LYS 44 23.657 4.820 -8.400 395 HZ2 LYS 44 HZ2 LYS 44 22.370 5.828 -8.415 396 HZ3 LYS 44 HZ3 LYS 44 23.362 5.666 -9.750 397 H ASP 45 HN ASP 45 19.780 3.555 -4.391 398 HA ASP 45 HA ASP 45 20.610 3.049 -1.621 399 HB2 ASP 45 HB2 ASP 45 20.991 5.561 -1.645 400 HB3 ASP 45 HB3 ASP 45 22.121 4.547 -2.492 401 H GLU 46 HN GLU 46 18.041 2.442 -3.007 402 HA GLU 46 HA GLU 46 16.351 3.323 -0.973 403 HB2 GLU 46 HB2 GLU 46 16.560 5.310 -2.919 404 HB3 GLU 46 HB3 GLU 46 15.166 4.423 -3.488 405 HG2 GLU 46 HG2 GLU 46 13.918 4.916 -1.579 406 HG3 GLU 46 HG3 GLU 46 15.342 5.184 -0.569 407 H ALA 47 HN ALA 47 13.989 2.580 -1.548 408 HA ALA 47 HA ALA 47 13.628 0.856 -3.865 409 HB1 ALA 47 HB1 ALA 47 13.503 -0.207 -1.012 410 HB2 ALA 47 HB2 ALA 47 13.017 -1.092 -2.481 411 HB3 ALA 47 HB3 ALA 47 14.710 -0.675 -2.211 412 H VAL 48 HN VAL 48 11.389 0.655 -4.301 413 HA VAL 48 HA VAL 48 9.580 2.141 -2.450 414 HB VAL 48 HB VAL 48 9.633 2.131 -5.496 415 HG11 VAL 48 HG11 VAL 48 7.299 1.942 -4.782 416 HG12 VAL 48 HG12 VAL 48 7.530 3.230 -3.573 417 HG13 VAL 48 HG13 VAL 48 7.614 3.593 -5.310 418 HG21 VAL 48 HG21 VAL 48 9.748 4.622 -5.110 419 HG22 VAL 48 HG22 VAL 48 9.942 4.302 -3.385 420 HG23 VAL 48 HG23 VAL 48 11.176 3.740 -4.530 421 H LYS 49 HN LYS 49 7.963 0.979 -1.703 422 HA LYS 49 HA LYS 49 6.971 -1.320 -3.231 423 HB2 LYS 49 HB2 LYS 49 8.089 -1.640 -0.585 424 HB3 LYS 49 HB3 LYS 49 6.366 -1.467 -0.355 425 HG2 LYS 49 HG2 LYS 49 6.518 -3.731 -0.635 426 HG3 LYS 49 HG3 LYS 49 6.119 -3.226 -2.283 427 HD2 LYS 49 HD2 LYS 49 8.435 -3.501 -2.984 428 HD3 LYS 49 HD3 LYS 49 8.985 -3.782 -1.310 429 HE2 LYS 49 HE2 LYS 49 7.791 -5.811 -1.121 430 HE3 LYS 49 HE3 LYS 49 6.782 -5.488 -2.523 431 HZ1 LYS 49 HZ1 LYS 49 9.663 -6.005 -2.752 432 HZ2 LYS 49 HZ2 LYS 49 8.545 -5.895 -3.975 433 HZ3 LYS 49 HZ3 LYS 49 8.512 -7.150 -2.905 434 H GLN 50 HN GLN 50 4.664 -1.106 -3.345 435 HA GLN 50 HA GLN 50 3.342 0.618 -1.489 436 HB2 GLN 50 HB2 GLN 50 2.907 1.265 -4.441 437 HB3 GLN 50 HB3 GLN 50 2.177 2.031 -3.070 438 HG2 GLN 50 HG2 GLN 50 4.055 3.337 -2.617 439 HG3 GLN 50 HG3 GLN 50 5.179 2.274 -3.396 440 HE21 GLN 50 HE21 GLN 50 5.158 2.163 -5.845 441 HE22 GLN 50 HE22 GLN 50 4.704 3.642 -6.644 442 H TYR 51 HN TYR 51 0.860 0.416 -2.342 443 HA TYR 51 HA TYR 51 0.313 -1.978 -3.870 444 HB2 TYR 51 HB2 TYR 51 -0.695 -1.578 -1.000 445 HB3 TYR 51 HB3 TYR 51 -1.237 -2.831 -2.104 446 HD1 TYR 51 HD1 TYR 51 1.604 -1.620 -0.070 447 HD2 TYR 51 HD2 TYR 51 0.215 -4.769 -2.631 448 HE1 TYR 51 HE1 TYR 51 3.624 -2.907 0.487 449 HE2 TYR 51 HE2 TYR 51 2.236 -6.085 -2.092 450 HH TYR 51 HH TYR 51 4.334 -6.031 -1.140 451 H HIS 52 HN HIS 52 -1.775 -1.678 -4.770 452 HA HIS 52 HA HIS 52 -3.011 1.007 -4.620 453 HB2 HIS 52 HB2 HIS 52 -2.588 -0.071 -6.829 454 HB3 HIS 52 HB3 HIS 52 -3.414 -1.496 -6.316 455 HD1 HIS 52 HD1 HIS 52 -4.958 2.090 -5.866 456 HD2 HIS 52 HD2 HIS 52 -5.221 -1.414 -8.225 457 HE1 HIS 52 HE1 HIS 52 -7.007 2.335 -7.341 458 H LEU 53 HN LEU 53 -5.144 1.100 -3.537 459 HA LEU 53 HA LEU 53 -6.322 -1.459 -2.725 460 HB2 LEU 53 HB2 LEU 53 -5.936 0.730 -0.654 461 HB3 LEU 53 HB3 LEU 53 -6.741 -0.822 -0.484 462 HG LEU 53 HG LEU 53 -4.319 -1.810 -0.907 463 HD11 LEU 53 HD11 LEU 53 -3.167 0.401 -1.221 464 HD12 LEU 53 HD12 LEU 53 -2.599 -0.435 0.250 465 HD13 LEU 53 HD13 LEU 53 -3.749 0.902 0.382 466 HD21 LEU 53 HD21 LEU 53 -5.197 -0.546 1.714 467 HD22 LEU 53 HD22 LEU 53 -3.968 -1.827 1.514 468 HD23 LEU 53 HD23 LEU 53 -5.659 -2.147 1.121 469 H THR 54 HN THR 54 -8.658 -1.141 -2.205 470 HA THR 54 HA THR 54 -9.781 1.366 -3.340 471 HB THR 54 HB THR 54 -10.943 -1.400 -2.837 472 HG1 THR 54 HG1 THR 54 -10.754 -0.168 -5.359 473 HG21 THR 54 HG21 THR 54 -12.724 0.093 -2.413 474 HG22 THR 54 HG22 THR 54 -12.987 -0.600 -4.008 475 HG23 THR 54 HG23 THR 54 -12.369 1.057 -3.853 476 H LEU 55 HN LEU 55 -10.448 2.690 -1.711 477 HA LEU 55 HA LEU 55 -11.523 1.468 0.777 478 HB2 LEU 55 HB2 LEU 55 -10.906 4.368 0.131 479 HB3 LEU 55 HB3 LEU 55 -11.952 3.878 1.452 480 HG LEU 55 HG LEU 55 -9.777 2.231 1.841 481 HD11 LEU 55 HD11 LEU 55 -8.531 3.585 0.105 482 HD12 LEU 55 HD12 LEU 55 -7.762 3.607 1.723 483 HD13 LEU 55 HD13 LEU 55 -8.703 4.995 1.151 484 HD21 LEU 55 HD21 LEU 55 -10.066 4.924 3.119 485 HD22 LEU 55 HD22 LEU 55 -9.213 3.471 3.743 486 HD23 LEU 55 HD23 LEU 55 -10.969 3.449 3.568 487 H ARG 56 HN ARG 56 -13.643 2.115 1.421 488 HA ARG 56 HA ARG 56 -15.472 2.952 -0.768 489 HB2 ARG 56 HB2 ARG 56 -15.786 0.565 -0.357 490 HB3 ARG 56 HB3 ARG 56 -15.891 0.845 1.389 491 HG2 ARG 56 HG2 ARG 56 -18.023 1.930 1.193 492 HG3 ARG 56 HG3 ARG 56 -17.932 1.938 -0.593 493 HD2 ARG 56 HD2 ARG 56 -18.051 -0.424 -0.734 494 HD3 ARG 56 HD3 ARG 56 -17.676 -0.654 0.968 495 HE ARG 56 HE ARG 56 -19.981 0.587 1.290 496 HH11 ARG 56 HH11 ARG 56 -19.463 -1.760 -1.319 497 HH12 ARG 56 HH12 ARG 56 -20.726 -2.813 -0.767 498 HH21 ARG 56 HH21 ARG 56 -21.979 -0.584 1.585 499 HH22 ARG 56 HH22 ARG 56 -22.219 -2.071 0.724 500 H GLU 57 HN GLU 57 -16.638 4.749 -0.053 501 HA GLU 57 HA GLU 57 -16.548 5.421 2.867 502 HB2 GLU 57 HB2 GLU 57 -14.920 6.838 1.556 503 HB3 GLU 57 HB3 GLU 57 -16.253 7.353 0.546 504 HG2 GLU 57 HG2 GLU 57 -17.362 8.070 2.860 505 HG3 GLU 57 HG3 GLU 57 -15.689 7.966 3.410 506 H GLY 58 HN GLY 58 -18.613 4.864 3.356 507 HA2 GLY 58 HA1 GLY 58 -20.877 4.789 3.361 508 HA3 GLY 58 HA2 GLY 58 -20.850 6.368 2.549 509 H SER 59 HN SER 59 -21.188 6.453 0.337 510 HA SER 59 HA SER 59 -22.154 3.971 -0.988 511 HB2 SER 59 HB2 SER 59 -23.175 6.804 -1.338 512 HB3 SER 59 HB3 SER 59 -23.926 5.297 -1.908 513 HG SER 59 HG SER 59 -24.742 4.990 0.029 514 H LYS 60 HN LYS 60 -19.351 5.223 -1.165 515 HA LYS 60 HA LYS 60 -19.263 5.291 -4.125 516 HB2 LYS 60 HB2 LYS 60 -19.284 7.600 -3.423 517 HB3 LYS 60 HB3 LYS 60 -18.071 7.303 -2.179 518 HG2 LYS 60 HG2 LYS 60 -16.311 7.283 -3.640 519 HG3 LYS 60 HG3 LYS 60 -17.285 6.681 -4.977 520 HD2 LYS 60 HD2 LYS 60 -16.683 8.822 -5.572 521 HD3 LYS 60 HD3 LYS 60 -18.376 8.928 -5.172 522 HE2 LYS 60 HE2 LYS 60 -16.128 9.661 -3.253 523 HE3 LYS 60 HE3 LYS 60 -16.816 10.816 -4.401 524 HZ1 LYS 60 HZ1 LYS 60 -18.213 9.580 -2.105 525 HZ2 LYS 60 HZ2 LYS 60 -18.989 10.444 -3.282 526 HZ3 LYS 60 HZ3 LYS 60 -17.831 11.129 -2.324 527 H GLU 61 HN GLU 61 -17.198 4.602 -4.944 528 HA GLU 61 HA GLU 61 -15.184 3.627 -3.039 529 HB2 GLU 61 HB2 GLU 61 -16.419 2.142 -5.358 530 HB3 GLU 61 HB3 GLU 61 -14.712 1.894 -4.968 531 HG2 GLU 61 HG2 GLU 61 -15.238 1.159 -2.725 532 HG3 GLU 61 HG3 GLU 61 -16.935 1.563 -2.935 533 H PHE 62 HN PHE 62 -13.095 3.768 -3.952 534 HA PHE 62 HA PHE 62 -12.456 5.335 -6.338 535 HB2 PHE 62 HB2 PHE 62 -11.251 7.065 -4.976 536 HB3 PHE 62 HB3 PHE 62 -12.996 7.196 -4.960 537 HD1 PHE 62 HD1 PHE 62 -14.313 6.233 -2.923 538 HD2 PHE 62 HD2 PHE 62 -10.072 7.120 -2.833 539 HE1 PHE 62 HE1 PHE 62 -14.370 6.202 -0.522 540 HE2 PHE 62 HE2 PHE 62 -10.152 7.108 -0.369 541 HZ PHE 62 HZ PHE 62 -12.285 6.641 0.815 542 H GLY 63 HN GLY 63 -9.729 5.747 -5.711 543 HA2 GLY 63 HA1 GLY 63 -8.837 3.160 -4.551 544 HA3 GLY 63 HA2 GLY 63 -8.204 3.711 -6.080 545 H VAL 64 HN VAL 64 -6.913 3.302 -3.460 546 HA VAL 64 HA VAL 64 -5.525 5.945 -3.430 547 HB VAL 64 HB VAL 64 -4.992 5.641 -1.116 548 HG11 VAL 64 HG11 VAL 64 -7.963 5.319 -1.361 549 HG12 VAL 64 HG12 VAL 64 -7.064 6.186 -0.110 550 HG13 VAL 64 HG13 VAL 64 -7.101 6.778 -1.791 551 HG21 VAL 64 HG21 VAL 64 -4.907 3.203 -0.912 552 HG22 VAL 64 HG22 VAL 64 -5.924 3.929 0.322 553 HG23 VAL 64 HG23 VAL 64 -6.673 3.121 -1.090 554 H PHE 65 HN PHE 65 -3.312 5.752 -2.553 555 HA PHE 65 HA PHE 65 -1.920 3.230 -3.148 556 HB2 PHE 65 HB2 PHE 65 -1.207 5.996 -4.243 557 HB3 PHE 65 HB3 PHE 65 -0.132 4.594 -4.283 558 HD1 PHE 65 HD2 PHE 65 -0.972 2.466 -5.561 559 HD2 PHE 65 HD1 PHE 65 -2.856 6.323 -5.908 560 HE1 PHE 65 HE2 PHE 65 -2.074 1.773 -7.701 561 HE2 PHE 65 HE1 PHE 65 -3.943 5.610 -8.019 562 HZ PHE 65 HZ PHE 65 -3.556 3.326 -8.903 563 H VAL 66 HN VAL 66 0.154 3.180 -2.002 564 HA VAL 66 HA VAL 66 0.244 5.001 0.357 565 HB VAL 66 HB VAL 66 0.534 1.974 0.448 566 HG11 VAL 66 HG11 VAL 66 1.765 2.769 2.249 567 HG12 VAL 66 HG12 VAL 66 0.794 4.233 2.446 568 HG13 VAL 66 HG13 VAL 66 0.145 2.682 2.988 569 HG21 VAL 66 HG21 VAL 66 -1.840 2.557 0.025 570 HG22 VAL 66 HG22 VAL 66 -1.606 1.941 1.655 571 HG23 VAL 66 HG23 VAL 66 -1.803 3.681 1.397 572 H THR 67 HN THR 67 1.934 6.162 -0.221 573 HA THR 67 HA THR 67 4.193 5.367 -1.736 574 HB THR 67 HB THR 67 3.653 7.813 -0.014 575 HG1 THR 67 HG1 THR 67 2.699 8.675 -1.839 576 HG21 THR 67 HG21 THR 67 5.946 7.774 -0.934 577 HG22 THR 67 HG22 THR 67 4.962 9.061 -1.642 578 HG23 THR 67 HG23 THR 67 5.284 7.589 -2.571 579 H ILE 68 HN ILE 68 5.052 3.500 -0.388 580 HA ILE 68 HA ILE 68 6.469 4.328 2.093 581 HB ILE 68 HB ILE 68 6.073 1.641 0.758 582 HG12 ILE 68 HG12 ILE 68 4.892 2.685 3.365 583 HG13 ILE 68 HG13 ILE 68 4.030 2.627 1.833 584 HG21 ILE 68 HG21 ILE 68 7.123 0.636 2.745 585 HG22 ILE 68 HG22 ILE 68 8.250 1.742 1.983 586 HG23 ILE 68 HG23 ILE 68 7.377 2.248 3.445 587 HD11 ILE 68 HD11 ILE 68 4.334 0.143 1.772 588 HD12 ILE 68 HD12 ILE 68 5.004 0.237 3.425 589 HD13 ILE 68 HD13 ILE 68 3.341 0.743 3.114 590 H SER 69 HN SER 69 8.522 5.075 1.867 591 HA SER 69 HA SER 69 10.163 4.166 -0.463 592 HB2 SER 69 HB2 SER 69 9.700 6.737 -0.060 593 HB3 SER 69 HB3 SER 69 10.887 6.534 1.258 594 HG SER 69 HG SER 69 12.267 6.781 -0.213 595 H PHE 70 HN PHE 70 11.702 2.701 0.176 596 HA PHE 70 HA PHE 70 12.590 2.741 2.991 597 HB2 PHE 70 HB2 PHE 70 12.318 0.433 3.293 598 HB3 PHE 70 HB3 PHE 70 10.792 1.064 2.755 599 HD1 PHE 70 HD2 PHE 70 10.148 0.656 0.249 600 HD2 PHE 70 HD1 PHE 70 13.442 -1.309 2.182 601 HE1 PHE 70 HE2 PHE 70 10.062 -1.193 -1.424 602 HE2 PHE 70 HE1 PHE 70 13.219 -3.245 0.578 603 HZ PHE 70 HZ PHE 70 11.507 -3.189 -1.173 604 H ASP 71 HN ASP 71 14.471 1.199 3.225 605 HA ASP 71 HA ASP 71 16.452 2.047 1.158 606 HB2 ASP 71 HB2 ASP 71 16.457 2.835 3.598 607 HB3 ASP 71 HB3 ASP 71 16.834 1.166 4.051 608 HA PRO 72 HA PRO 72 16.722 -2.300 0.311 609 HB2 PRO 72 HB2 PRO 72 18.969 -2.501 -1.245 610 HB3 PRO 72 HB3 PRO 72 17.449 -1.720 -1.781 611 HG2 PRO 72 HG2 PRO 72 19.931 -0.379 -0.655 612 HG3 PRO 72 HG3 PRO 72 19.002 0.065 -2.123 613 HD2 PRO 72 HD2 PRO 72 18.589 1.328 0.221 614 HD3 PRO 72 HD3 PRO 72 17.221 0.947 -0.847 615 H TYR 73 HN TYR 73 19.524 -0.733 1.735 616 HA TYR 73 HA TYR 73 21.280 -2.719 2.258 617 HB2 TYR 73 HB2 TYR 73 20.511 -0.358 3.998 618 HB3 TYR 73 HB3 TYR 73 21.907 -1.363 4.291 619 HD1 TYR 73 HD1 TYR 73 20.434 0.931 1.572 620 HD2 TYR 73 HD2 TYR 73 23.958 -0.898 3.298 621 HE1 TYR 73 HE1 TYR 73 21.830 2.265 0.124 622 HE2 TYR 73 HE2 TYR 73 25.377 0.544 1.877 623 HH TYR 73 HH TYR 73 25.357 2.469 0.474 624 H SER 74 HN SER 74 18.469 -1.917 4.387 625 HA SER 74 HA SER 74 18.433 -4.730 5.253 626 HB2 SER 74 HB2 SER 74 20.014 -3.090 6.712 627 HB3 SER 74 HB3 SER 74 18.467 -2.701 7.478 628 HG SER 74 HG SER 74 19.323 -4.351 8.565 629 H GLN 75 HN GLN 75 16.493 -2.489 3.992 630 HA GLN 75 HA GLN 75 14.346 -1.755 4.290 631 HB2 GLN 75 HB2 GLN 75 14.016 -4.458 5.712 632 HB3 GLN 75 HB3 GLN 75 12.746 -3.275 5.593 633 HG2 GLN 75 HG2 GLN 75 12.155 -4.369 3.765 634 HG3 GLN 75 HG3 GLN 75 13.373 -3.386 2.981 635 HE21 GLN 75 HE21 GLN 75 15.601 -4.447 2.642 636 HE22 GLN 75 HE22 GLN 75 15.456 -6.157 2.263 637 H LYS 76 HN LYS 76 15.738 -0.149 5.402 638 HA LYS 76 HA LYS 76 14.315 0.388 7.945 639 HB2 LYS 76 HB2 LYS 76 16.575 1.888 6.542 640 HB3 LYS 76 HB3 LYS 76 15.550 2.571 7.809 641 HG2 LYS 76 HG2 LYS 76 16.206 0.562 9.275 642 HG3 LYS 76 HG3 LYS 76 17.431 0.199 8.053 643 HD2 LYS 76 HD2 LYS 76 18.292 2.552 8.353 644 HD3 LYS 76 HD3 LYS 76 17.128 2.762 9.672 645 HE2 LYS 76 HE2 LYS 76 19.046 0.390 9.691 646 HE3 LYS 76 HE3 LYS 76 19.679 1.980 10.100 647 HZ1 LYS 76 HZ1 LYS 76 17.433 0.695 11.523 648 HZ2 LYS 76 HZ2 LYS 76 18.102 2.161 11.869 649 HZ3 LYS 76 HZ3 LYS 76 18.962 0.774 12.067 650 H VAL 77 HN VAL 77 12.663 1.895 7.670 651 HA VAL 77 HA VAL 77 11.889 2.517 4.885 652 HB VAL 77 HB VAL 77 10.311 1.289 5.941 653 HG11 VAL 77 HG11 VAL 77 10.024 3.215 8.220 654 HG12 VAL 77 HG12 VAL 77 9.068 1.728 7.900 655 HG13 VAL 77 HG13 VAL 77 10.792 1.617 8.291 656 HG21 VAL 77 HG21 VAL 77 9.283 4.137 5.903 657 HG22 VAL 77 HG22 VAL 77 9.495 3.093 4.485 658 HG23 VAL 77 HG23 VAL 77 8.312 2.659 5.722 659 H ASN 78 HN ASN 78 12.103 4.492 4.164 660 HA ASN 78 HA ASN 78 13.598 6.336 5.912 661 HB2 ASN 78 HB2 ASN 78 12.966 6.427 2.933 662 HB3 ASN 78 HB3 ASN 78 14.048 7.512 3.793 663 HD21 ASN 78 HD21 ASN 78 14.387 5.190 1.648 664 HD22 ASN 78 HD22 ASN 78 15.624 4.187 2.386 665 H LYS 79 HN LYS 79 10.653 6.258 3.886 666 HA LYS 79 HA LYS 79 9.336 7.966 5.853 667 HB2 LYS 79 HB2 LYS 79 9.735 8.818 2.950 668 HB3 LYS 79 HB3 LYS 79 8.326 9.339 3.875 669 HG2 LYS 79 HG2 LYS 79 10.179 10.074 5.676 670 HG3 LYS 79 HG3 LYS 79 11.214 10.079 4.248 671 HD2 LYS 79 HD2 LYS 79 10.410 12.276 4.425 672 HD3 LYS 79 HD3 LYS 79 9.399 11.565 3.155 673 HE2 LYS 79 HE2 LYS 79 7.588 11.153 4.815 674 HE3 LYS 79 HE3 LYS 79 8.635 11.741 6.115 675 HZ1 LYS 79 HZ1 LYS 79 7.154 13.468 5.460 676 HZ2 LYS 79 HZ2 LYS 79 7.634 13.374 3.865 677 HZ3 LYS 79 HZ3 LYS 79 8.663 13.898 5.022 678 H ILE 80 HN ILE 80 7.036 8.032 5.485 679 HA ILE 80 HA ILE 80 5.926 6.229 3.474 680 HB ILE 80 HB ILE 80 4.955 6.330 6.365 681 HG12 ILE 80 HG12 ILE 80 6.238 4.054 4.786 682 HG13 ILE 80 HG13 ILE 80 6.945 4.917 6.155 683 HG21 ILE 80 HG21 ILE 80 3.216 4.737 5.614 684 HG22 ILE 80 HG22 ILE 80 3.094 6.231 4.712 685 HG23 ILE 80 HG23 ILE 80 3.842 4.816 3.955 686 HD11 ILE 80 HD11 ILE 80 5.069 4.095 7.605 687 HD12 ILE 80 HD12 ILE 80 4.566 3.054 6.250 688 HD13 ILE 80 HD13 ILE 80 6.158 2.833 6.981 689 H ALA 81 HN ALA 81 4.448 7.386 2.368 690 HA ALA 81 HA ALA 81 2.957 9.533 3.715 691 HB1 ALA 81 HB1 ALA 81 4.581 10.730 2.303 692 HB2 ALA 81 HB2 ALA 81 4.105 9.772 0.891 693 HB3 ALA 81 HB3 ALA 81 2.951 10.889 1.642 694 H ILE 82 HN ILE 82 0.991 9.963 2.062 695 HA ILE 82 HA ILE 82 -0.201 7.368 1.304 696 HB ILE 82 HB ILE 82 -1.016 9.412 3.362 697 HG12 ILE 82 HG12 ILE 82 0.232 7.347 4.033 698 HG13 ILE 82 HG13 ILE 82 -1.309 7.562 4.823 699 HG21 ILE 82 HG21 ILE 82 -2.978 7.633 1.962 700 HG22 ILE 82 HG22 ILE 82 -3.291 8.450 3.503 701 HG23 ILE 82 HG23 ILE 82 -2.990 9.401 2.046 702 HD11 ILE 82 HD11 ILE 82 -0.786 5.208 4.129 703 HD12 ILE 82 HD12 ILE 82 -2.354 5.819 3.576 704 HD13 ILE 82 HD13 ILE 82 -0.987 5.714 2.441 705 H LEU 83 HN LEU 83 -1.794 7.627 -0.436 706 HA LEU 83 HA LEU 83 -1.966 10.312 -1.646 707 HB2 LEU 83 HB2 LEU 83 0.003 8.902 -2.601 708 HB3 LEU 83 HB3 LEU 83 -1.209 7.767 -3.113 709 HG LEU 83 HG LEU 83 -2.164 10.231 -4.071 710 HD11 LEU 83 HD11 LEU 83 0.050 11.255 -3.562 711 HD12 LEU 83 HD12 LEU 83 -0.319 11.244 -5.300 712 HD13 LEU 83 HD13 LEU 83 0.811 10.049 -4.628 713 HD21 LEU 83 HD21 LEU 83 -2.427 8.255 -5.258 714 HD22 LEU 83 HD22 LEU 83 -0.666 8.056 -5.524 715 HD23 LEU 83 HD23 LEU 83 -1.573 9.382 -6.303 716 H GLU 84 HN GLU 84 -3.899 10.553 -2.771 717 HA GLU 84 HA GLU 84 -5.774 8.244 -2.880 718 HB2 GLU 84 HB2 GLU 84 -6.141 11.051 -2.029 719 HB3 GLU 84 HB3 GLU 84 -7.169 10.667 -3.424 720 HG2 GLU 84 HG2 GLU 84 -8.129 8.747 -2.302 721 HG3 GLU 84 HG3 GLU 84 -7.023 8.939 -0.941 722 H GLU 85 HN GLU 85 -6.665 7.827 -4.898 723 HA GLU 85 HA GLU 85 -5.834 9.543 -7.154 724 HB2 GLU 85 HB2 GLU 85 -5.849 7.168 -7.650 725 HB3 GLU 85 HB3 GLU 85 -7.519 7.002 -7.102 726 HG2 GLU 85 HG2 GLU 85 -8.390 8.108 -8.938 727 HG3 GLU 85 HG3 GLU 85 -6.910 9.053 -9.239 728 H TYR 86 HN TYR 86 -7.381 10.847 -8.076 729 HA TYR 86 HA TYR 86 -10.085 11.078 -7.015 730 HB2 TYR 86 HB2 TYR 86 -9.798 13.605 -7.108 731 HB3 TYR 86 HB3 TYR 86 -9.058 12.802 -5.744 732 HD1 TYR 86 HD1 TYR 86 -6.614 12.643 -5.485 733 HD2 TYR 86 HD2 TYR 86 -8.396 14.725 -8.820 734 HE1 TYR 86 HE1 TYR 86 -4.427 13.680 -6.001 735 HE2 TYR 86 HE2 TYR 86 -6.227 15.766 -9.333 736 HH TYR 86 HH TYR 86 -3.979 15.908 -8.784 737 H GLN 87 HN GLN 87 -11.318 12.451 -8.757 738 HA GLN 87 HA GLN 87 -10.048 12.143 -11.423 739 HB2 GLN 87 HB2 GLN 87 -12.972 11.461 -10.918 740 HB3 GLN 87 HB3 GLN 87 -12.069 11.345 -12.409 741 HG2 GLN 87 HG2 GLN 87 -11.844 9.170 -11.966 742 HG3 GLN 87 HG3 GLN 87 -10.549 9.644 -10.868 743 HE21 GLN 87 HE21 GLN 87 -11.409 7.286 -10.104 744 HE22 GLN 87 HE22 GLN 87 -12.718 7.330 -8.931 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 -16.243 -15.486 0.843 2 HA2 GLY 1 HA1 GLY 1 -17.026 -14.066 3.327 3 HA3 GLY 1 HA2 GLY 1 -16.997 -15.814 3.162 4 H GLU 2 HN GLU 2 -14.372 -14.070 1.610 5 HA GLU 2 HA GLU 2 -12.369 -14.869 3.560 6 HB2 GLU 2 HB2 GLU 2 -12.141 -13.078 1.105 7 HB3 GLU 2 HB3 GLU 2 -10.859 -13.945 1.937 8 HG2 GLU 2 HG2 GLU 2 -11.047 -15.268 0.134 9 HG3 GLU 2 HG3 GLU 2 -12.220 -16.099 1.158 10 H GLU 3 HN GLU 3 -10.812 -13.030 4.274 11 HA GLU 3 HA GLU 3 -12.072 -10.698 5.368 12 HB2 GLU 3 HB2 GLU 3 -9.173 -10.805 4.418 13 HB3 GLU 3 HB3 GLU 3 -9.876 -9.758 5.628 14 HG2 GLU 3 HG2 GLU 3 -9.223 -12.697 5.825 15 HG3 GLU 3 HG3 GLU 3 -8.496 -11.356 6.676 16 H THR 4 HN THR 4 -10.310 -11.274 2.282 17 HA THR 4 HA THR 4 -11.182 -8.627 1.270 18 HB THR 4 HB THR 4 -8.573 -8.773 0.474 19 HG1 THR 4 HG1 THR 4 -8.461 -10.666 2.105 20 HG21 THR 4 HG21 THR 4 -9.783 -6.875 1.598 21 HG22 THR 4 HG22 THR 4 -8.159 -7.128 2.249 22 HG23 THR 4 HG23 THR 4 -9.563 -7.711 3.153 23 HA PRO 5 HA PRO 5 -12.077 -10.394 -2.536 24 HB2 PRO 5 HB2 PRO 5 -11.490 -8.535 -4.395 25 HB3 PRO 5 HB3 PRO 5 -12.643 -8.224 -3.073 26 HG2 PRO 5 HG2 PRO 5 -9.658 -7.556 -3.076 27 HG3 PRO 5 HG3 PRO 5 -11.048 -6.436 -2.821 28 HD2 PRO 5 HD2 PRO 5 -9.790 -7.548 -0.749 29 HD3 PRO 5 HD3 PRO 5 -11.591 -7.472 -0.740 30 H LEU 6 HN LEU 6 -10.439 -12.095 -2.092 31 HA LEU 6 HA LEU 6 -8.069 -12.010 -3.923 32 HB2 LEU 6 HB2 LEU 6 -8.235 -12.772 -0.998 33 HB3 LEU 6 HB3 LEU 6 -6.887 -13.246 -2.026 34 HG LEU 6 HG LEU 6 -7.739 -10.348 -1.630 35 HD11 LEU 6 HD11 LEU 6 -6.989 -11.430 0.493 36 HD12 LEU 6 HD12 LEU 6 -6.019 -10.061 -0.025 37 HD13 LEU 6 HD13 LEU 6 -5.410 -11.725 -0.266 38 HD21 LEU 6 HD21 LEU 6 -6.441 -10.559 -3.650 39 HD22 LEU 6 HD22 LEU 6 -5.306 -11.682 -2.877 40 HD23 LEU 6 HD23 LEU 6 -5.305 -9.977 -2.428 41 H VAL 7 HN VAL 7 -9.591 -13.041 -5.312 42 HA VAL 7 HA VAL 7 -9.826 -15.932 -5.098 43 HB VAL 7 HB VAL 7 -9.957 -15.750 -7.605 44 HG11 VAL 7 HG11 VAL 7 -11.951 -14.085 -6.014 45 HG12 VAL 7 HG12 VAL 7 -12.219 -14.801 -7.615 46 HG13 VAL 7 HG13 VAL 7 -11.967 -15.847 -6.211 47 HG21 VAL 7 HG21 VAL 7 -10.149 -12.733 -7.137 48 HG22 VAL 7 HG22 VAL 7 -8.726 -13.536 -7.824 49 HG23 VAL 7 HG23 VAL 7 -10.265 -13.618 -8.678 50 H THR 8 HN THR 8 -7.177 -13.636 -5.416 51 HA THR 8 HA THR 8 -5.333 -15.257 -6.781 52 HB THR 8 HB THR 8 -4.237 -13.595 -4.570 53 HG1 THR 8 HG1 THR 8 -4.889 -11.663 -5.250 54 HG21 THR 8 HG21 THR 8 -3.984 -13.387 -7.617 55 HG22 THR 8 HG22 THR 8 -2.911 -14.297 -6.533 56 HG23 THR 8 HG23 THR 8 -2.975 -12.549 -6.401 57 H ALA 9 HN ALA 9 -3.295 -16.114 -5.669 58 HA ALA 9 HA ALA 9 -3.745 -17.898 -3.470 59 HB1 ALA 9 HB1 ALA 9 -1.323 -18.139 -3.512 60 HB2 ALA 9 HB2 ALA 9 -1.925 -18.155 -5.166 61 HB3 ALA 9 HB3 ALA 9 -1.141 -16.689 -4.537 62 H ARG 10 HN ARG 10 -2.144 -17.576 -1.502 63 HA ARG 10 HA ARG 10 -2.778 -14.899 -0.297 64 HB2 ARG 10 HB2 ARG 10 -2.427 -17.430 1.334 65 HB3 ARG 10 HB3 ARG 10 -3.223 -15.923 1.742 66 HG2 ARG 10 HG2 ARG 10 -4.873 -16.684 -0.251 67 HG3 ARG 10 HG3 ARG 10 -4.214 -18.262 0.126 68 HD2 ARG 10 HD2 ARG 10 -5.764 -16.368 1.930 69 HD3 ARG 10 HD3 ARG 10 -6.277 -17.954 1.363 70 HE ARG 10 HE ARG 10 -4.856 -17.309 3.720 71 HH11 ARG 10 HH11 ARG 10 -4.645 -19.817 1.199 72 HH12 ARG 10 HH12 ARG 10 -4.361 -21.102 2.317 73 HH21 ARG 10 HH21 ARG 10 -4.483 -19.044 5.189 74 HH22 ARG 10 HH22 ARG 10 -3.925 -20.579 4.581 75 H HIS 11 HN HIS 11 -0.828 -13.746 -0.510 76 HA HIS 11 HA HIS 11 1.617 -14.982 0.540 77 HB2 HIS 11 HB2 HIS 11 1.453 -15.719 -1.855 78 HB3 HIS 11 HB3 HIS 11 1.397 -14.048 -2.355 79 HD1 HIS 11 HD1 HIS 11 3.725 -13.923 -3.600 80 HD2 HIS 11 HD2 HIS 11 3.850 -15.587 0.279 81 HE1 HIS 11 HE1 HIS 11 6.157 -14.377 -3.093 82 H MET 12 HN MET 12 2.689 -13.390 1.614 83 HA MET 12 HA MET 12 1.827 -10.591 1.216 84 HB2 MET 12 HB2 MET 12 2.405 -12.020 3.856 85 HB3 MET 12 HB3 MET 12 1.987 -10.322 3.640 86 HG2 MET 12 HG2 MET 12 -0.069 -11.296 2.282 87 HG3 MET 12 HG3 MET 12 0.258 -12.747 3.262 88 HE1 MET 12 HE1 MET 12 -1.330 -9.296 2.950 89 HE2 MET 12 HE2 MET 12 -1.368 -8.632 4.600 90 HE3 MET 12 HE3 MET 12 0.167 -8.839 3.741 91 H SER 13 HN SER 13 3.747 -9.572 3.134 92 HA SER 13 HA SER 13 6.380 -10.055 1.976 93 HB2 SER 13 HB2 SER 13 4.717 -8.507 0.430 94 HB3 SER 13 HB3 SER 13 5.327 -7.287 1.531 95 HG SER 13 HG SER 13 6.924 -9.050 -0.058 96 H LYS 14 HN LYS 14 7.832 -8.014 2.698 97 HA LYS 14 HA LYS 14 7.739 -7.894 5.563 98 HB2 LYS 14 HB2 LYS 14 9.877 -7.734 4.308 99 HB3 LYS 14 HB3 LYS 14 9.319 -6.246 3.521 100 HG2 LYS 14 HG2 LYS 14 10.908 -5.676 5.242 101 HG3 LYS 14 HG3 LYS 14 9.314 -5.039 5.634 102 HD2 LYS 14 HD2 LYS 14 9.022 -7.140 7.135 103 HD3 LYS 14 HD3 LYS 14 10.746 -7.429 6.840 104 HE2 LYS 14 HE2 LYS 14 11.181 -5.083 7.732 105 HE3 LYS 14 HE3 LYS 14 9.450 -4.960 8.087 106 HZ1 LYS 14 HZ1 LYS 14 11.217 -7.039 9.230 107 HZ2 LYS 14 HZ2 LYS 14 9.632 -6.766 9.602 108 HZ3 LYS 14 HZ3 LYS 14 10.769 -5.648 10.000 109 H TRP 15 HN TRP 15 6.896 -5.494 3.016 110 HA TRP 15 HA TRP 15 6.224 -3.495 5.069 111 HB2 TRP 15 HB2 TRP 15 6.411 -3.350 2.049 112 HB3 TRP 15 HB3 TRP 15 6.224 -1.989 3.159 113 HD1 TRP 15 HD1 TRP 15 8.796 -3.938 1.403 114 HE1 TRP 15 HE1 TRP 15 11.157 -3.262 2.128 115 HE3 TRP 15 HE3 TRP 15 7.609 -1.180 5.586 116 HZ2 TRP 15 HZ2 TRP 15 12.326 -1.627 4.245 117 HZ3 TRP 15 HZ3 TRP 15 9.339 -0.235 6.973 118 HH2 TRP 15 HH2 TRP 15 11.744 -0.442 6.335 119 H GLU 16 HN GLU 16 4.502 -5.936 3.709 120 HA GLU 16 HA GLU 16 2.155 -4.895 2.615 121 HB2 GLU 16 HB2 GLU 16 3.096 -7.426 3.887 122 HB3 GLU 16 HB3 GLU 16 1.386 -7.200 3.981 123 HG2 GLU 16 HG2 GLU 16 2.858 -7.006 1.351 124 HG3 GLU 16 HG3 GLU 16 2.302 -8.504 2.021 125 H GLU 17 HN GLU 17 2.665 -5.825 6.120 126 HA GLU 17 HA GLU 17 -0.032 -5.057 6.778 127 HB2 GLU 17 HB2 GLU 17 2.423 -5.865 8.348 128 HB3 GLU 17 HB3 GLU 17 1.184 -4.949 9.175 129 HG2 GLU 17 HG2 GLU 17 -0.344 -6.882 7.903 130 HG3 GLU 17 HG3 GLU 17 1.157 -7.755 8.273 131 H ILE 18 HN ILE 18 3.072 -3.350 6.904 132 HA ILE 18 HA ILE 18 2.153 -0.941 8.250 133 HB ILE 18 HB ILE 18 4.353 -1.323 6.180 134 HG12 ILE 18 HG12 ILE 18 4.801 -1.125 9.180 135 HG13 ILE 18 HG13 ILE 18 4.442 -2.679 8.497 136 HG21 ILE 18 HG21 ILE 18 3.752 0.882 8.218 137 HG22 ILE 18 HG22 ILE 18 5.268 0.732 7.354 138 HG23 ILE 18 HG23 ILE 18 3.782 1.041 6.440 139 HD11 ILE 18 HD11 ILE 18 6.399 -2.521 6.973 140 HD12 ILE 18 HD12 ILE 18 6.819 -0.957 7.719 141 HD13 ILE 18 HD13 ILE 18 6.856 -2.445 8.661 142 H ALA 19 HN ALA 19 2.141 -1.922 4.773 143 HA ALA 19 HA ALA 19 0.971 0.529 3.931 144 HB1 ALA 19 HB1 ALA 19 0.818 -2.207 2.599 145 HB2 ALA 19 HB2 ALA 19 0.470 -0.648 1.846 146 HB3 ALA 19 HB3 ALA 19 2.119 -1.010 2.404 147 H VAL 20 HN VAL 20 -0.576 -2.656 4.703 148 HA VAL 20 HA VAL 20 -3.227 -1.801 4.181 149 HB VAL 20 HB VAL 20 -2.260 -3.903 6.189 150 HG11 VAL 20 HG11 VAL 20 -5.008 -3.518 4.913 151 HG12 VAL 20 HG12 VAL 20 -4.524 -4.900 5.912 152 HG13 VAL 20 HG13 VAL 20 -4.601 -3.289 6.627 153 HG21 VAL 20 HG21 VAL 20 -1.484 -4.650 4.057 154 HG22 VAL 20 HG22 VAL 20 -3.014 -5.479 4.265 155 HG23 VAL 20 HG23 VAL 20 -2.915 -4.043 3.232 156 H LYS 21 HN LYS 21 -1.286 -1.614 7.198 157 HA LYS 21 HA LYS 21 -3.426 -0.703 8.855 158 HB2 LYS 21 HB2 LYS 21 -0.407 -0.490 9.094 159 HB3 LYS 21 HB3 LYS 21 -1.493 0.145 10.328 160 HG2 LYS 21 HG2 LYS 21 -2.402 -2.014 10.827 161 HG3 LYS 21 HG3 LYS 21 -1.705 -2.748 9.385 162 HD2 LYS 21 HD2 LYS 21 0.582 -2.244 10.322 163 HD3 LYS 21 HD3 LYS 21 -0.177 -1.751 11.836 164 HE2 LYS 21 HE2 LYS 21 -0.626 -4.471 10.508 165 HE3 LYS 21 HE3 LYS 21 0.693 -4.178 11.650 166 HZ1 LYS 21 HZ1 LYS 21 -2.173 -3.882 12.329 167 HZ2 LYS 21 HZ2 LYS 21 -0.878 -3.681 13.337 168 HZ3 LYS 21 HZ3 LYS 21 -1.189 -5.151 12.722 169 H GLU 22 HN GLU 22 -0.813 1.172 7.141 170 HA GLU 22 HA GLU 22 -1.751 3.744 7.825 171 HB2 GLU 22 HB2 GLU 22 0.024 2.548 5.811 172 HB3 GLU 22 HB3 GLU 22 -0.824 3.938 5.190 173 HG2 GLU 22 HG2 GLU 22 0.426 4.208 7.912 174 HG3 GLU 22 HG3 GLU 22 1.495 4.088 6.549 175 H ALA 23 HN ALA 23 -2.591 1.755 4.943 176 HA ALA 23 HA ALA 23 -4.388 3.555 3.788 177 HB1 ALA 23 HB1 ALA 23 -3.598 1.504 2.666 178 HB2 ALA 23 HB2 ALA 23 -4.544 0.505 3.777 179 HB3 ALA 23 HB3 ALA 23 -5.351 1.609 2.628 180 H LYS 24 HN LYS 24 -5.084 1.101 6.382 181 HA LYS 24 HA LYS 24 -7.902 1.886 6.264 182 HB2 LYS 24 HB2 LYS 24 -8.430 0.394 7.896 183 HB3 LYS 24 HB3 LYS 24 -7.239 -0.392 6.850 184 HG2 LYS 24 HG2 LYS 24 -5.483 0.076 8.553 185 HG3 LYS 24 HG3 LYS 24 -6.711 0.896 9.529 186 HD2 LYS 24 HD2 LYS 24 -6.424 -1.299 10.441 187 HD3 LYS 24 HD3 LYS 24 -7.989 -1.289 9.580 188 HE2 LYS 24 HE2 LYS 24 -7.049 -2.455 7.709 189 HE3 LYS 24 HE3 LYS 24 -5.391 -2.247 8.290 190 HZ1 LYS 24 HZ1 LYS 24 -7.391 -3.796 9.826 191 HZ2 LYS 24 HZ2 LYS 24 -5.741 -3.857 9.931 192 HZ3 LYS 24 HZ3 LYS 24 -6.530 -4.473 8.627 193 H LYS 25 HN LYS 25 -5.121 2.879 8.323 194 HA LYS 25 HA LYS 25 -7.023 4.132 10.134 195 HB2 LYS 25 HB2 LYS 25 -5.182 5.095 11.312 196 HB3 LYS 25 HB3 LYS 25 -5.055 3.365 11.097 197 HG2 LYS 25 HG2 LYS 25 -2.904 4.215 11.030 198 HG3 LYS 25 HG3 LYS 25 -3.296 3.794 9.369 199 HD2 LYS 25 HD2 LYS 25 -3.195 5.932 8.616 200 HD3 LYS 25 HD3 LYS 25 -3.743 6.638 10.158 201 HE2 LYS 25 HE2 LYS 25 -1.565 6.216 11.163 202 HE3 LYS 25 HE3 LYS 25 -1.042 5.314 9.741 203 HZ1 LYS 25 HZ1 LYS 25 -1.720 8.181 9.713 204 HZ2 LYS 25 HZ2 LYS 25 -1.090 7.248 8.461 205 HZ3 LYS 25 HZ3 LYS 25 -0.175 7.527 9.776 206 H ARG 26 HN ARG 26 -5.024 5.300 7.512 207 HA ARG 26 HA ARG 26 -5.412 8.072 7.995 208 HB2 ARG 26 HB2 ARG 26 -3.546 6.922 6.706 209 HB3 ARG 26 HB3 ARG 26 -4.649 6.734 5.364 210 HG2 ARG 26 HG2 ARG 26 -4.265 8.830 4.677 211 HG3 ARG 26 HG3 ARG 26 -4.635 9.523 6.264 212 HD2 ARG 26 HD2 ARG 26 -2.399 9.248 7.043 213 HD3 ARG 26 HD3 ARG 26 -1.932 8.277 5.662 214 HE ARG 26 HE ARG 26 -3.027 10.932 5.053 215 HH11 ARG 26 HH11 ARG 26 0.008 8.960 5.199 216 HH12 ARG 26 HH12 ARG 26 0.860 10.199 4.300 217 HH21 ARG 26 HH21 ARG 26 -1.740 12.489 4.007 218 HH22 ARG 26 HH22 ARG 26 -0.106 12.082 3.579 219 H TYR 27 HN TYR 27 -7.885 6.037 7.150 220 HA TYR 27 HA TYR 27 -9.268 8.001 5.427 221 HB2 TYR 27 HB2 TYR 27 -8.930 5.044 4.904 222 HB3 TYR 27 HB3 TYR 27 -10.175 6.044 4.165 223 HD1 TYR 27 HD2 TYR 27 -6.505 5.572 4.452 224 HD2 TYR 27 HD1 TYR 27 -9.669 7.623 2.379 225 HE1 TYR 27 HE2 TYR 27 -4.968 5.974 2.582 226 HE2 TYR 27 HE1 TYR 27 -8.071 8.201 0.554 227 HH TYR 27 HH TYR 27 -4.898 6.681 0.284 228 HA PRO 28 HA PRO 28 -11.982 6.579 8.822 229 HB2 PRO 28 HB2 PRO 28 -12.740 9.055 9.703 230 HB3 PRO 28 HB3 PRO 28 -11.245 8.230 10.235 231 HG2 PRO 28 HG2 PRO 28 -11.540 10.479 8.260 232 HG3 PRO 28 HG3 PRO 28 -10.197 10.112 9.412 233 HD2 PRO 28 HD2 PRO 28 -10.196 9.534 6.695 234 HD3 PRO 28 HD3 PRO 28 -9.118 8.845 7.953 235 H LEU 29 HN LEU 29 -12.284 8.590 5.956 236 HA LEU 29 HA LEU 29 -15.237 8.179 5.894 237 HB2 LEU 29 HB2 LEU 29 -13.424 10.179 4.507 238 HB3 LEU 29 HB3 LEU 29 -15.013 9.789 3.898 239 HG LEU 29 HG LEU 29 -15.054 11.820 5.172 240 HD11 LEU 29 HD11 LEU 29 -16.612 9.702 6.698 241 HD12 LEU 29 HD12 LEU 29 -17.081 10.346 5.112 242 HD13 LEU 29 HD13 LEU 29 -16.999 11.421 6.514 243 HD21 LEU 29 HD21 LEU 29 -14.606 11.948 7.505 244 HD22 LEU 29 HD22 LEU 29 -13.223 11.129 6.775 245 HD23 LEU 29 HD23 LEU 29 -14.457 10.196 7.662 246 H ALA 30 HN ALA 30 -13.854 5.941 5.692 247 HA ALA 30 HA ALA 30 -15.023 4.739 3.649 248 HB1 ALA 30 HB1 ALA 30 -12.141 5.397 2.881 249 HB2 ALA 30 HB2 ALA 30 -13.017 3.962 2.227 250 HB3 ALA 30 HB3 ALA 30 -13.611 5.563 1.903 251 H GLN 31 HN GLN 31 -14.033 2.472 3.304 252 HA GLN 31 HA GLN 31 -12.469 1.504 5.669 253 HB2 GLN 31 HB2 GLN 31 -14.355 -0.131 3.954 254 HB3 GLN 31 HB3 GLN 31 -13.338 -0.745 5.244 255 HG2 GLN 31 HG2 GLN 31 -15.854 0.852 5.478 256 HG3 GLN 31 HG3 GLN 31 -15.406 -0.668 6.282 257 HE21 GLN 31 HE21 GLN 31 -15.592 2.640 6.537 258 HE22 GLN 31 HE22 GLN 31 -14.830 2.939 8.092 259 H VAL 32 HN VAL 32 -10.994 -0.153 5.035 260 HA VAL 32 HA VAL 32 -10.045 -0.006 2.171 261 HB VAL 32 HB VAL 32 -8.716 -0.977 4.736 262 HG11 VAL 32 HG11 VAL 32 -6.725 -1.550 3.380 263 HG12 VAL 32 HG12 VAL 32 -8.078 -2.627 3.015 264 HG13 VAL 32 HG13 VAL 32 -7.679 -1.301 1.895 265 HG21 VAL 32 HG21 VAL 32 -8.594 1.440 4.263 266 HG22 VAL 32 HG22 VAL 32 -7.022 0.614 4.120 267 HG23 VAL 32 HG23 VAL 32 -7.879 1.070 2.669 268 H LEU 33 HN LEU 33 -10.684 -1.601 0.878 269 HA LEU 33 HA LEU 33 -11.745 -4.134 1.912 270 HB2 LEU 33 HB2 LEU 33 -12.086 -2.640 -0.739 271 HB3 LEU 33 HB3 LEU 33 -12.990 -4.063 -0.180 272 HG LEU 33 HG LEU 33 -13.679 -2.626 1.857 273 HD11 LEU 33 HD11 LEU 33 -12.297 -0.573 1.063 274 HD12 LEU 33 HD12 LEU 33 -13.975 -0.291 1.477 275 HD13 LEU 33 HD13 LEU 33 -13.420 -0.461 -0.233 276 HD21 LEU 33 HD21 LEU 33 -15.210 -3.536 0.149 277 HD22 LEU 33 HD22 LEU 33 -14.709 -2.220 -0.992 278 HD23 LEU 33 HD23 LEU 33 -15.644 -1.848 0.470 279 H PHE 34 HN PHE 34 -8.795 -3.480 1.173 280 HA PHE 34 HA PHE 34 -8.389 -5.775 -0.610 281 HB2 PHE 34 HB2 PHE 34 -8.539 -3.163 -1.679 282 HB3 PHE 34 HB3 PHE 34 -6.864 -3.547 -1.695 283 HD1 PHE 34 HD1 PHE 34 -6.235 -5.908 -2.857 284 HD2 PHE 34 HD2 PHE 34 -9.994 -3.870 -3.406 285 HE1 PHE 34 HE1 PHE 34 -6.425 -6.913 -5.084 286 HE2 PHE 34 HE2 PHE 34 -10.140 -4.774 -5.673 287 HZ PHE 34 HZ PHE 34 -8.308 -6.270 -6.552 288 H LYS 35 HN LYS 35 -5.880 -5.870 -1.105 289 HA LYS 35 HA LYS 35 -3.816 -4.657 0.254 290 HB2 LYS 35 HB2 LYS 35 -3.147 -6.631 1.797 291 HB3 LYS 35 HB3 LYS 35 -4.282 -5.420 2.359 292 HG2 LYS 35 HG2 LYS 35 -6.064 -6.720 2.351 293 HG3 LYS 35 HG3 LYS 35 -5.466 -7.897 1.168 294 HD2 LYS 35 HD2 LYS 35 -4.211 -7.599 3.893 295 HD3 LYS 35 HD3 LYS 35 -5.783 -8.406 3.729 296 HE2 LYS 35 HE2 LYS 35 -4.788 -9.959 2.027 297 HE3 LYS 35 HE3 LYS 35 -3.202 -9.238 2.346 298 HZ1 LYS 35 HZ1 LYS 35 -3.331 -11.112 3.748 299 HZ2 LYS 35 HZ2 LYS 35 -4.903 -10.819 4.178 300 HZ3 LYS 35 HZ3 LYS 35 -3.767 -9.856 4.769 301 H GLN 36 HN GLN 36 -2.950 -4.875 -1.895 302 HA GLN 36 HA GLN 36 -1.540 -7.406 -2.271 303 HB2 GLN 36 HB2 GLN 36 -3.854 -7.834 -3.194 304 HB3 GLN 36 HB3 GLN 36 -3.611 -6.529 -4.348 305 HG2 GLN 36 HG2 GLN 36 -2.022 -7.734 -5.558 306 HG3 GLN 36 HG3 GLN 36 -1.590 -8.760 -4.185 307 HE21 GLN 36 HE21 GLN 36 -4.218 -8.198 -6.590 308 HE22 GLN 36 HE22 GLN 36 -4.869 -9.809 -6.522 309 H LYS 37 HN LYS 37 0.414 -7.006 -3.239 310 HA LYS 37 HA LYS 37 1.094 -4.310 -4.086 311 HB2 LYS 37 HB2 LYS 37 3.304 -5.028 -4.043 312 HB3 LYS 37 HB3 LYS 37 2.552 -6.060 -2.836 313 HG2 LYS 37 HG2 LYS 37 2.351 -7.830 -4.732 314 HG3 LYS 37 HG3 LYS 37 3.492 -6.802 -5.612 315 HD2 LYS 37 HD2 LYS 37 4.908 -6.965 -3.352 316 HD3 LYS 37 HD3 LYS 37 3.863 -8.327 -3.025 317 HE2 LYS 37 HE2 LYS 37 5.924 -9.104 -3.990 318 HE3 LYS 37 HE3 LYS 37 4.630 -9.440 -5.127 319 HZ1 LYS 37 HZ1 LYS 37 6.766 -8.465 -6.018 320 HZ2 LYS 37 HZ2 LYS 37 6.310 -7.016 -5.364 321 HZ3 LYS 37 HZ3 LYS 37 5.398 -7.775 -6.534 322 H VAL 38 HN VAL 38 2.023 -3.736 -6.210 323 HA VAL 38 HA VAL 38 1.452 -5.599 -8.421 324 HB VAL 38 HB VAL 38 -0.607 -4.351 -7.679 325 HG11 VAL 38 HG11 VAL 38 0.179 -2.173 -7.148 326 HG12 VAL 38 HG12 VAL 38 0.815 -1.928 -8.786 327 HG13 VAL 38 HG13 VAL 38 -0.936 -2.042 -8.508 328 HG21 VAL 38 HG21 VAL 38 -0.500 -5.439 -9.796 329 HG22 VAL 38 HG22 VAL 38 -1.466 -3.979 -9.872 330 HG23 VAL 38 HG23 VAL 38 0.169 -4.002 -10.564 331 H TRP 39 HN TRP 39 3.700 -3.360 -7.206 332 HA TRP 39 HA TRP 39 5.150 -3.331 -9.792 333 HB2 TRP 39 HB2 TRP 39 3.865 -1.185 -9.521 334 HB3 TRP 39 HB3 TRP 39 4.713 -0.898 -8.022 335 HD1 TRP 39 HD1 TRP 39 5.795 -1.579 -11.661 336 HE1 TRP 39 HE1 TRP 39 7.480 0.234 -12.398 337 HE3 TRP 39 HE3 TRP 39 6.229 0.926 -7.340 338 HZ2 TRP 39 HZ2 TRP 39 8.340 2.783 -11.401 339 HZ3 TRP 39 HZ3 TRP 39 7.520 3.080 -7.195 340 HH2 TRP 39 HH2 TRP 39 8.496 4.067 -9.244 341 H ASP 40 HN ASP 40 7.570 -2.963 -9.387 342 HA ASP 40 HA ASP 40 8.486 -3.092 -6.590 343 HB2 ASP 40 HB2 ASP 40 8.003 -5.461 -7.112 344 HB3 ASP 40 HB3 ASP 40 9.046 -5.358 -8.538 345 H ARG 41 HN ARG 41 9.826 -1.257 -6.818 346 HA ARG 41 HA ARG 41 11.713 -1.259 -9.140 347 HB2 ARG 41 HB2 ARG 41 9.784 0.402 -9.243 348 HB3 ARG 41 HB3 ARG 41 10.468 1.181 -7.850 349 HG2 ARG 41 HG2 ARG 41 12.629 0.951 -9.740 350 HG3 ARG 41 HG3 ARG 41 11.191 1.337 -10.654 351 HD2 ARG 41 HD2 ARG 41 10.789 3.271 -9.126 352 HD3 ARG 41 HD3 ARG 41 12.281 2.879 -8.287 353 HE ARG 41 HE ARG 41 13.558 3.448 -10.255 354 HH11 ARG 41 HH11 ARG 41 10.216 4.008 -11.069 355 HH12 ARG 41 HH12 ARG 41 10.478 5.489 -11.884 356 HH21 ARG 41 HH21 ARG 41 13.897 5.025 -11.880 357 HH22 ARG 41 HH22 ARG 41 12.603 6.011 -12.455 358 H LYS 42 HN LYS 42 13.813 -0.060 -8.648 359 HA LYS 42 HA LYS 42 14.247 0.605 -5.878 360 HB2 LYS 42 HB2 LYS 42 14.826 -1.904 -6.241 361 HB3 LYS 42 HB3 LYS 42 16.163 -1.362 -7.253 362 HG2 LYS 42 HG2 LYS 42 17.206 -0.248 -5.377 363 HG3 LYS 42 HG3 LYS 42 15.730 -0.394 -4.424 364 HD2 LYS 42 HD2 LYS 42 17.339 -1.925 -3.599 365 HD3 LYS 42 HD3 LYS 42 16.029 -2.856 -4.308 366 HE2 LYS 42 HE2 LYS 42 17.353 -3.478 -6.185 367 HE3 LYS 42 HE3 LYS 42 18.530 -2.180 -5.899 368 HZ1 LYS 42 HZ1 LYS 42 18.139 -4.507 -4.131 369 HZ2 LYS 42 HZ2 LYS 42 19.302 -3.307 -3.967 370 HZ3 LYS 42 HZ3 LYS 42 19.341 -4.358 -5.224 371 H ARG 43 HN ARG 43 16.417 1.712 -5.675 372 HA ARG 43 HA ARG 43 17.267 3.146 -8.143 373 HB2 ARG 43 HB2 ARG 43 16.760 4.233 -5.330 374 HB3 ARG 43 HB3 ARG 43 17.705 5.052 -6.536 375 HG2 ARG 43 HG2 ARG 43 15.708 6.087 -6.709 376 HG3 ARG 43 HG3 ARG 43 15.688 4.980 -8.082 377 HD2 ARG 43 HD2 ARG 43 14.098 3.549 -7.010 378 HD3 ARG 43 HD3 ARG 43 14.404 4.276 -5.421 379 HE ARG 43 HE ARG 43 12.936 5.540 -7.696 380 HH11 ARG 43 HH11 ARG 43 14.190 5.957 -4.401 381 HH12 ARG 43 HH12 ARG 43 13.244 7.355 -4.083 382 HH21 ARG 43 HH21 ARG 43 11.655 7.324 -7.290 383 HH22 ARG 43 HH22 ARG 43 12.107 8.337 -5.945 384 H LYS 44 HN LYS 44 19.490 4.307 -7.266 385 HA LYS 44 HA LYS 44 21.348 2.162 -7.112 386 HB2 LYS 44 HB2 LYS 44 21.475 5.167 -6.881 387 HB3 LYS 44 HB3 LYS 44 22.885 4.255 -6.353 388 HG2 LYS 44 HG2 LYS 44 23.450 3.530 -8.425 389 HG3 LYS 44 HG3 LYS 44 21.794 3.378 -8.990 390 HD2 LYS 44 HD2 LYS 44 23.058 6.099 -8.548 391 HD3 LYS 44 HD3 LYS 44 23.235 5.192 -10.071 392 HE2 LYS 44 HE2 LYS 44 20.891 5.121 -10.477 393 HE3 LYS 44 HE3 LYS 44 20.516 5.700 -8.852 394 HZ1 LYS 44 HZ1 LYS 44 21.353 7.828 -9.400 395 HZ2 LYS 44 HZ2 LYS 44 20.328 7.399 -10.604 396 HZ3 LYS 44 HZ3 LYS 44 21.931 7.281 -10.885 397 H ASP 45 HN ASP 45 20.057 4.220 -4.435 398 HA ASP 45 HA ASP 45 21.111 2.330 -2.483 399 HB2 ASP 45 HB2 ASP 45 21.914 4.328 -1.271 400 HB3 ASP 45 HB3 ASP 45 22.787 3.995 -2.758 401 H GLU 46 HN GLU 46 18.299 3.198 -3.615 402 HA GLU 46 HA GLU 46 17.117 3.144 -0.989 403 HB2 GLU 46 HB2 GLU 46 17.203 5.636 -1.669 404 HB3 GLU 46 HB3 GLU 46 15.899 5.187 -2.818 405 HG2 GLU 46 HG2 GLU 46 14.532 4.355 -0.952 406 HG3 GLU 46 HG3 GLU 46 15.852 4.569 0.173 407 H ALA 47 HN ALA 47 14.712 2.580 -1.273 408 HA ALA 47 HA ALA 47 14.043 1.219 -3.802 409 HB1 ALA 47 HB1 ALA 47 13.422 -0.780 -2.513 410 HB2 ALA 47 HB2 ALA 47 15.148 -0.424 -2.262 411 HB3 ALA 47 HB3 ALA 47 13.987 0.013 -1.016 412 H VAL 48 HN VAL 48 11.738 0.803 -3.979 413 HA VAL 48 HA VAL 48 9.972 2.011 -1.999 414 HB VAL 48 HB VAL 48 8.626 3.060 -3.842 415 HG11 VAL 48 HG11 VAL 48 9.982 4.438 -2.332 416 HG12 VAL 48 HG12 VAL 48 11.371 4.315 -3.426 417 HG13 VAL 48 HG13 VAL 48 9.893 5.144 -3.947 418 HG21 VAL 48 HG21 VAL 48 9.660 1.970 -5.817 419 HG22 VAL 48 HG22 VAL 48 9.712 3.732 -5.939 420 HG23 VAL 48 HG23 VAL 48 11.186 2.839 -5.511 421 H LYS 49 HN LYS 49 8.147 0.707 -1.806 422 HA LYS 49 HA LYS 49 7.643 -1.419 -3.761 423 HB2 LYS 49 HB2 LYS 49 8.686 -1.949 -0.963 424 HB3 LYS 49 HB3 LYS 49 7.571 -3.064 -1.718 425 HG2 LYS 49 HG2 LYS 49 9.108 -3.439 -3.612 426 HG3 LYS 49 HG3 LYS 49 10.282 -2.358 -2.833 427 HD2 LYS 49 HD2 LYS 49 10.988 -4.434 -2.017 428 HD3 LYS 49 HD3 LYS 49 9.978 -3.859 -0.728 429 HE2 LYS 49 HE2 LYS 49 9.249 -6.013 -0.921 430 HE3 LYS 49 HE3 LYS 49 8.042 -5.175 -1.898 431 HZ1 LYS 49 HZ1 LYS 49 10.375 -6.730 -2.836 432 HZ2 LYS 49 HZ2 LYS 49 9.440 -5.872 -3.856 433 HZ3 LYS 49 HZ3 LYS 49 8.806 -7.152 -3.000 434 H GLN 50 HN GLN 50 6.179 0.706 -3.523 435 HA GLN 50 HA GLN 50 4.153 0.834 -1.579 436 HB2 GLN 50 HB2 GLN 50 3.970 1.425 -4.552 437 HB3 GLN 50 HB3 GLN 50 2.803 1.944 -3.341 438 HG2 GLN 50 HG2 GLN 50 4.829 3.057 -2.169 439 HG3 GLN 50 HG3 GLN 50 5.663 2.788 -3.640 440 HE21 GLN 50 HE21 GLN 50 5.870 5.243 -3.746 441 HE22 GLN 50 HE22 GLN 50 4.520 6.129 -4.419 442 H TYR 51 HN TYR 51 1.943 0.523 -2.127 443 HA TYR 51 HA TYR 51 1.212 -2.076 -3.393 444 HB2 TYR 51 HB2 TYR 51 0.282 -1.185 -0.633 445 HB3 TYR 51 HB3 TYR 51 -0.318 -2.578 -1.516 446 HD1 TYR 51 HD2 TYR 51 2.693 -1.136 0.141 447 HD2 TYR 51 HD1 TYR 51 0.854 -4.679 -1.446 448 HE1 TYR 51 HE2 TYR 51 4.548 -2.456 1.037 449 HE2 TYR 51 HE1 TYR 51 2.756 -6.031 -0.622 450 HH TYR 51 HH TYR 51 5.376 -5.224 -0.232 451 H HIS 52 HN HIS 52 -0.903 -2.014 -4.254 452 HA HIS 52 HA HIS 52 -2.256 0.640 -4.394 453 HB2 HIS 52 HB2 HIS 52 -1.928 -0.548 -6.528 454 HB3 HIS 52 HB3 HIS 52 -2.521 -2.051 -5.823 455 HD1 HIS 52 HD1 HIS 52 -4.404 1.404 -5.702 456 HD2 HIS 52 HD2 HIS 52 -4.548 -2.504 -7.295 457 HE1 HIS 52 HE1 HIS 52 -6.689 1.124 -6.765 458 H LEU 53 HN LEU 53 -4.370 0.692 -3.291 459 HA LEU 53 HA LEU 53 -5.509 -1.793 -2.367 460 HB2 LEU 53 HB2 LEU 53 -4.927 0.451 -0.372 461 HB3 LEU 53 HB3 LEU 53 -6.144 -0.801 -0.160 462 HG LEU 53 HG LEU 53 -4.063 -2.425 -0.649 463 HD11 LEU 53 HD11 LEU 53 -2.809 -0.154 0.936 464 HD12 LEU 53 HD12 LEU 53 -2.409 -0.494 -0.752 465 HD13 LEU 53 HD13 LEU 53 -2.053 -1.700 0.503 466 HD21 LEU 53 HD21 LEU 53 -4.559 -1.236 2.106 467 HD22 LEU 53 HD22 LEU 53 -3.952 -2.862 1.697 468 HD23 LEU 53 HD23 LEU 53 -5.598 -2.427 1.304 469 H THR 54 HN THR 54 -7.849 -1.406 -1.821 470 HA THR 54 HA THR 54 -8.965 0.891 -3.339 471 HB THR 54 HB THR 54 -10.049 -1.878 -2.772 472 HG1 THR 54 HG1 THR 54 -9.467 -1.146 -5.393 473 HG21 THR 54 HG21 THR 54 -11.223 0.333 -4.501 474 HG22 THR 54 HG22 THR 54 -11.935 -0.435 -3.052 475 HG23 THR 54 HG23 THR 54 -11.745 -1.375 -4.524 476 H LEU 55 HN LEU 55 -10.058 2.319 -2.189 477 HA LEU 55 HA LEU 55 -11.155 1.519 0.478 478 HB2 LEU 55 HB2 LEU 55 -10.658 4.196 -0.793 479 HB3 LEU 55 HB3 LEU 55 -11.697 4.046 0.568 480 HG LEU 55 HG LEU 55 -9.530 4.886 1.183 481 HD11 LEU 55 HD11 LEU 55 -9.922 2.146 2.391 482 HD12 LEU 55 HD12 LEU 55 -10.796 3.574 2.885 483 HD13 LEU 55 HD13 LEU 55 -9.056 3.535 3.119 484 HD21 LEU 55 HD21 LEU 55 -7.520 3.552 1.190 485 HD22 LEU 55 HD22 LEU 55 -8.182 3.602 -0.457 486 HD23 LEU 55 HD23 LEU 55 -8.372 2.135 0.517 487 H ARG 56 HN ARG 56 -13.355 2.211 0.945 488 HA ARG 56 HA ARG 56 -15.114 2.902 -1.330 489 HB2 ARG 56 HB2 ARG 56 -15.326 0.443 -1.172 490 HB3 ARG 56 HB3 ARG 56 -15.710 0.586 0.549 491 HG2 ARG 56 HG2 ARG 56 -17.773 1.787 0.041 492 HG3 ARG 56 HG3 ARG 56 -17.419 1.706 -1.697 493 HD2 ARG 56 HD2 ARG 56 -17.621 -0.692 -1.708 494 HD3 ARG 56 HD3 ARG 56 -17.689 -0.760 0.047 495 HE ARG 56 HE ARG 56 -19.786 0.407 -1.744 496 HH11 ARG 56 HH11 ARG 56 -19.033 -1.163 1.385 497 HH12 ARG 56 HH12 ARG 56 -20.694 -1.114 1.897 498 HH21 ARG 56 HH21 ARG 56 -21.848 0.681 -0.905 499 HH22 ARG 56 HH22 ARG 56 -22.276 0.055 0.635 500 H GLU 57 HN GLU 57 -16.599 4.385 -0.740 501 HA GLU 57 HA GLU 57 -17.203 4.958 2.134 502 HB2 GLU 57 HB2 GLU 57 -15.569 6.526 1.462 503 HB3 GLU 57 HB3 GLU 57 -16.425 6.925 -0.005 504 HG2 GLU 57 HG2 GLU 57 -16.616 8.501 1.989 505 HG3 GLU 57 HG3 GLU 57 -18.123 8.070 1.122 506 H GLY 58 HN GLY 58 -19.188 3.970 2.008 507 HA2 GLY 58 HA1 GLY 58 -21.433 4.097 1.951 508 HA3 GLY 58 HA2 GLY 58 -21.267 5.647 1.138 509 H SER 59 HN SER 59 -20.711 5.490 -1.179 510 HA SER 59 HA SER 59 -21.937 3.224 -2.642 511 HB2 SER 59 HB2 SER 59 -22.889 6.085 -2.674 512 HB3 SER 59 HB3 SER 59 -23.103 5.021 -4.078 513 HG SER 59 HG SER 59 -24.370 3.720 -2.998 514 H LYS 60 HN LYS 60 -19.172 5.064 -2.270 515 HA LYS 60 HA LYS 60 -18.465 4.831 -5.152 516 HB2 LYS 60 HB2 LYS 60 -18.596 7.164 -4.611 517 HB3 LYS 60 HB3 LYS 60 -17.683 6.947 -3.107 518 HG2 LYS 60 HG2 LYS 60 -15.746 6.759 -4.225 519 HG3 LYS 60 HG3 LYS 60 -16.441 6.187 -5.736 520 HD2 LYS 60 HD2 LYS 60 -15.482 8.363 -6.023 521 HD3 LYS 60 HD3 LYS 60 -17.225 8.442 -6.274 522 HE2 LYS 60 HE2 LYS 60 -17.583 9.635 -4.265 523 HE3 LYS 60 HE3 LYS 60 -16.067 9.070 -3.557 524 HZ1 LYS 60 HZ1 LYS 60 -14.840 10.417 -5.020 525 HZ2 LYS 60 HZ2 LYS 60 -15.902 11.350 -4.189 526 HZ3 LYS 60 HZ3 LYS 60 -16.195 11.012 -5.770 527 H GLU 61 HN GLU 61 -16.447 3.998 -5.610 528 HA GLU 61 HA GLU 61 -14.685 3.140 -3.392 529 HB2 GLU 61 HB2 GLU 61 -15.403 1.739 -5.964 530 HB3 GLU 61 HB3 GLU 61 -13.758 1.604 -5.344 531 HG2 GLU 61 HG2 GLU 61 -14.422 0.516 -3.363 532 HG3 GLU 61 HG3 GLU 61 -16.122 0.975 -3.567 533 H PHE 62 HN PHE 62 -12.462 3.446 -3.853 534 HA PHE 62 HA PHE 62 -11.557 4.872 -6.216 535 HB2 PHE 62 HB2 PHE 62 -10.567 6.716 -4.878 536 HB3 PHE 62 HB3 PHE 62 -12.300 6.805 -5.033 537 HD1 PHE 62 HD1 PHE 62 -13.764 5.935 -3.046 538 HD2 PHE 62 HD2 PHE 62 -9.538 6.835 -2.671 539 HE1 PHE 62 HE1 PHE 62 -14.031 6.134 -0.624 540 HE2 PHE 62 HE2 PHE 62 -9.846 7.146 -0.257 541 HZ PHE 62 HZ PHE 62 -12.062 6.817 0.797 542 H GLY 63 HN GLY 63 -9.540 4.163 -6.600 543 HA2 GLY 63 HA1 GLY 63 -8.247 2.340 -4.709 544 HA3 GLY 63 HA2 GLY 63 -7.750 2.788 -6.344 545 H VAL 64 HN VAL 64 -6.365 2.819 -3.615 546 HA VAL 64 HA VAL 64 -5.082 5.465 -4.089 547 HB VAL 64 HB VAL 64 -4.960 5.882 -1.769 548 HG11 VAL 64 HG11 VAL 64 -7.312 6.100 -1.070 549 HG12 VAL 64 HG12 VAL 64 -7.108 6.500 -2.779 550 HG13 VAL 64 HG13 VAL 64 -7.808 4.945 -2.300 551 HG21 VAL 64 HG21 VAL 64 -6.085 3.158 -1.210 552 HG22 VAL 64 HG22 VAL 64 -4.463 3.751 -0.831 553 HG23 VAL 64 HG23 VAL 64 -5.853 4.479 -0.018 554 H PHE 65 HN PHE 65 -2.848 5.549 -3.234 555 HA PHE 65 HA PHE 65 -1.503 2.871 -3.441 556 HB2 PHE 65 HB2 PHE 65 -0.753 5.435 -4.834 557 HB3 PHE 65 HB3 PHE 65 0.226 4.000 -4.795 558 HD1 PHE 65 HD2 PHE 65 -2.968 5.497 -5.979 559 HD2 PHE 65 HD1 PHE 65 -0.435 2.003 -6.141 560 HE1 PHE 65 HE2 PHE 65 -4.350 4.572 -7.832 561 HE2 PHE 65 HE1 PHE 65 -1.762 1.146 -8.073 562 HZ PHE 65 HZ PHE 65 -3.736 2.401 -8.868 563 H VAL 66 HN VAL 66 -0.732 2.420 -1.508 564 HA VAL 66 HA VAL 66 -0.024 4.518 0.389 565 HB VAL 66 HB VAL 66 0.420 1.506 0.590 566 HG11 VAL 66 HG11 VAL 66 1.767 2.395 2.296 567 HG12 VAL 66 HG12 VAL 66 0.782 3.841 2.487 568 HG13 VAL 66 HG13 VAL 66 0.215 2.313 3.148 569 HG21 VAL 66 HG21 VAL 66 -1.983 2.021 0.318 570 HG22 VAL 66 HG22 VAL 66 -1.581 1.457 1.936 571 HG23 VAL 66 HG23 VAL 66 -1.895 3.186 1.658 572 H THR 67 HN THR 67 1.948 5.423 0.680 573 HA THR 67 HA THR 67 4.072 4.530 -1.140 574 HB THR 67 HB THR 67 3.360 7.183 0.067 575 HG1 THR 67 HG1 THR 67 2.082 6.367 -1.712 576 HG21 THR 67 HG21 THR 67 5.775 7.088 -0.143 577 HG22 THR 67 HG22 THR 67 5.121 8.062 -1.458 578 HG23 THR 67 HG23 THR 67 5.665 6.400 -1.780 579 H ILE 68 HN ILE 68 5.888 3.536 -0.250 580 HA ILE 68 HA ILE 68 6.819 4.364 2.439 581 HB ILE 68 HB ILE 68 6.432 1.553 1.394 582 HG12 ILE 68 HG12 ILE 68 5.671 2.762 4.087 583 HG13 ILE 68 HG13 ILE 68 4.572 2.617 2.724 584 HG21 ILE 68 HG21 ILE 68 7.762 0.731 3.361 585 HG22 ILE 68 HG22 ILE 68 8.739 1.661 2.238 586 HG23 ILE 68 HG23 ILE 68 8.179 2.412 3.740 587 HD11 ILE 68 HD11 ILE 68 4.060 0.791 4.125 588 HD12 ILE 68 HD12 ILE 68 4.967 0.085 2.764 589 HD13 ILE 68 HD13 ILE 68 5.751 0.347 4.328 590 H SER 69 HN SER 69 8.921 5.062 2.149 591 HA SER 69 HA SER 69 10.517 4.083 -0.179 592 HB2 SER 69 HB2 SER 69 10.939 6.586 1.522 593 HB3 SER 69 HB3 SER 69 11.922 6.024 0.169 594 HG SER 69 HG SER 69 10.693 7.583 -0.569 595 H PHE 70 HN PHE 70 12.372 2.877 0.445 596 HA PHE 70 HA PHE 70 13.167 2.970 3.280 597 HB2 PHE 70 HB2 PHE 70 12.947 0.638 3.636 598 HB3 PHE 70 HB3 PHE 70 11.396 1.220 3.103 599 HD1 PHE 70 HD2 PHE 70 10.707 0.789 0.641 600 HD2 PHE 70 HD1 PHE 70 14.123 -1.054 2.481 601 HE1 PHE 70 HE2 PHE 70 10.729 -0.944 -1.122 602 HE2 PHE 70 HE1 PHE 70 14.072 -2.885 0.785 603 HZ PHE 70 HZ PHE 70 12.361 -2.840 -1.004 604 H ASP 71 HN ASP 71 15.213 2.128 3.654 605 HA ASP 71 HA ASP 71 17.012 2.374 1.311 606 HB2 ASP 71 HB2 ASP 71 17.402 2.450 4.214 607 HB3 ASP 71 HB3 ASP 71 18.646 1.535 3.332 608 HA PRO 72 HA PRO 72 17.108 -1.975 0.490 609 HB2 PRO 72 HB2 PRO 72 19.276 -2.208 -1.115 610 HB3 PRO 72 HB3 PRO 72 17.832 -1.257 -1.607 611 HG2 PRO 72 HG2 PRO 72 20.377 -0.154 -0.357 612 HG3 PRO 72 HG3 PRO 72 19.582 0.360 -1.879 613 HD2 PRO 72 HD2 PRO 72 19.063 1.627 0.469 614 HD3 PRO 72 HD3 PRO 72 17.758 1.281 -0.716 615 H TYR 73 HN TYR 73 19.703 -0.310 2.094 616 HA TYR 73 HA TYR 73 21.651 -2.145 2.569 617 HB2 TYR 73 HB2 TYR 73 20.513 0.056 4.310 618 HB3 TYR 73 HB3 TYR 73 21.778 -0.985 4.915 619 HD1 TYR 73 HD1 TYR 73 21.099 1.096 1.769 620 HD2 TYR 73 HD2 TYR 73 23.937 -0.206 4.782 621 HE1 TYR 73 HE1 TYR 73 22.795 2.544 0.793 622 HE2 TYR 73 HE2 TYR 73 25.628 1.320 3.825 623 HH TYR 73 HH TYR 73 26.148 2.452 1.686 624 H SER 74 HN SER 74 18.794 -1.700 4.695 625 HA SER 74 HA SER 74 18.817 -4.534 5.462 626 HB2 SER 74 HB2 SER 74 20.568 -2.827 6.797 627 HB3 SER 74 HB3 SER 74 19.148 -2.807 7.865 628 HG SER 74 HG SER 74 20.857 -4.500 8.106 629 H GLN 75 HN GLN 75 16.948 -2.218 4.469 630 HA GLN 75 HA GLN 75 14.878 -1.466 4.715 631 HB2 GLN 75 HB2 GLN 75 14.431 -4.032 6.299 632 HB3 GLN 75 HB3 GLN 75 13.196 -2.833 6.039 633 HG2 GLN 75 HG2 GLN 75 12.720 -4.189 4.288 634 HG3 GLN 75 HG3 GLN 75 13.823 -3.101 3.469 635 HE21 GLN 75 HE21 GLN 75 15.763 -4.019 2.543 636 HE22 GLN 75 HE22 GLN 75 16.127 -5.708 2.775 637 H LYS 76 HN LYS 76 16.064 0.314 5.779 638 HA LYS 76 HA LYS 76 14.614 0.872 8.296 639 HB2 LYS 76 HB2 LYS 76 16.778 2.420 6.756 640 HB3 LYS 76 HB3 LYS 76 15.652 3.154 7.874 641 HG2 LYS 76 HG2 LYS 76 16.498 1.305 9.572 642 HG3 LYS 76 HG3 LYS 76 17.894 1.272 8.473 643 HD2 LYS 76 HD2 LYS 76 18.189 3.717 8.740 644 HD3 LYS 76 HD3 LYS 76 16.799 3.747 9.843 645 HE2 LYS 76 HE2 LYS 76 18.010 2.225 11.376 646 HE3 LYS 76 HE3 LYS 76 19.386 2.168 10.259 647 HZ1 LYS 76 HZ1 LYS 76 19.670 3.772 12.102 648 HZ2 LYS 76 HZ2 LYS 76 18.405 4.642 11.561 649 HZ3 LYS 76 HZ3 LYS 76 19.735 4.513 10.628 650 H VAL 77 HN VAL 77 12.728 1.892 7.818 651 HA VAL 77 HA VAL 77 12.088 2.759 5.068 652 HB VAL 77 HB VAL 77 10.296 1.796 6.092 653 HG11 VAL 77 HG11 VAL 77 10.860 3.356 8.602 654 HG12 VAL 77 HG12 VAL 77 9.378 2.362 8.285 655 HG13 VAL 77 HG13 VAL 77 10.951 1.587 8.348 656 HG21 VAL 77 HG21 VAL 77 9.706 3.943 5.027 657 HG22 VAL 77 HG22 VAL 77 8.651 3.613 6.395 658 HG23 VAL 77 HG23 VAL 77 9.949 4.792 6.569 659 H ASN 78 HN ASN 78 12.122 4.810 4.476 660 HA ASN 78 HA ASN 78 13.723 6.670 6.157 661 HB2 ASN 78 HB2 ASN 78 13.137 6.623 3.157 662 HB3 ASN 78 HB3 ASN 78 13.994 7.922 4.003 663 HD21 ASN 78 HD21 ASN 78 14.821 5.474 2.109 664 HD22 ASN 78 HD22 ASN 78 16.224 4.823 3.012 665 H LYS 79 HN LYS 79 10.798 6.583 4.051 666 HA LYS 79 HA LYS 79 9.339 8.175 6.019 667 HB2 LYS 79 HB2 LYS 79 9.971 9.231 3.243 668 HB3 LYS 79 HB3 LYS 79 8.442 9.608 4.017 669 HG2 LYS 79 HG2 LYS 79 9.775 10.506 6.019 670 HG3 LYS 79 HG3 LYS 79 11.189 10.459 4.939 671 HD2 LYS 79 HD2 LYS 79 9.980 11.888 3.312 672 HD3 LYS 79 HD3 LYS 79 8.550 11.896 4.366 673 HE2 LYS 79 HE2 LYS 79 9.910 13.063 6.115 674 HE3 LYS 79 HE3 LYS 79 11.270 13.096 4.993 675 HZ1 LYS 79 HZ1 LYS 79 10.163 15.147 4.854 676 HZ2 LYS 79 HZ2 LYS 79 8.678 14.500 4.671 677 HZ3 LYS 79 HZ3 LYS 79 9.801 14.363 3.453 678 H ILE 80 HN ILE 80 7.014 8.371 5.314 679 HA ILE 80 HA ILE 80 6.053 6.233 3.562 680 HB ILE 80 HB ILE 80 5.024 6.711 6.396 681 HG12 ILE 80 HG12 ILE 80 6.673 4.416 5.259 682 HG13 ILE 80 HG13 ILE 80 7.143 5.544 6.528 683 HG21 ILE 80 HG21 ILE 80 4.167 4.566 4.400 684 HG22 ILE 80 HG22 ILE 80 3.504 4.856 6.025 685 HG23 ILE 80 HG23 ILE 80 3.238 6.027 4.773 686 HD11 ILE 80 HD11 ILE 80 6.592 3.553 7.646 687 HD12 ILE 80 HD12 ILE 80 5.216 4.636 7.925 688 HD13 ILE 80 HD13 ILE 80 5.107 3.333 6.706 689 H ALA 81 HN ALA 81 3.961 6.871 2.681 690 HA ALA 81 HA ALA 81 2.686 9.327 3.437 691 HB1 ALA 81 HB1 ALA 81 4.181 10.430 1.921 692 HB2 ALA 81 HB2 ALA 81 4.121 9.081 0.756 693 HB3 ALA 81 HB3 ALA 81 2.743 10.149 0.971 694 H ILE 82 HN ILE 82 0.819 9.572 1.601 695 HA ILE 82 HA ILE 82 -0.183 6.929 0.754 696 HB ILE 82 HB ILE 82 -1.638 9.123 2.222 697 HG12 ILE 82 HG12 ILE 82 -0.514 7.525 3.722 698 HG13 ILE 82 HG13 ILE 82 -2.263 7.461 3.782 699 HG21 ILE 82 HG21 ILE 82 -3.681 7.818 1.993 700 HG22 ILE 82 HG22 ILE 82 -3.123 8.432 0.446 701 HG23 ILE 82 HG23 ILE 82 -2.873 6.715 0.840 702 HD11 ILE 82 HD11 ILE 82 -0.473 5.332 3.482 703 HD12 ILE 82 HD12 ILE 82 -2.239 5.260 3.564 704 HD13 ILE 82 HD13 ILE 82 -1.421 5.400 1.988 705 H LEU 83 HN LEU 83 -1.487 7.211 -1.259 706 HA LEU 83 HA LEU 83 -1.470 9.903 -2.487 707 HB2 LEU 83 HB2 LEU 83 0.320 8.446 -3.460 708 HB3 LEU 83 HB3 LEU 83 -0.889 7.259 -3.845 709 HG LEU 83 HG LEU 83 0.028 8.767 -5.663 710 HD11 LEU 83 HD11 LEU 83 -1.719 7.352 -6.273 711 HD12 LEU 83 HD12 LEU 83 -2.195 8.952 -6.863 712 HD13 LEU 83 HD13 LEU 83 -2.943 8.291 -5.417 713 HD21 LEU 83 HD21 LEU 83 -0.958 10.925 -6.049 714 HD22 LEU 83 HD22 LEU 83 -0.237 10.925 -4.446 715 HD23 LEU 83 HD23 LEU 83 -2.011 10.785 -4.640 716 H GLU 84 HN GLU 84 -3.426 10.405 -3.009 717 HA GLU 84 HA GLU 84 -5.654 8.414 -3.150 718 HB2 GLU 84 HB2 GLU 84 -5.501 11.361 -2.485 719 HB3 GLU 84 HB3 GLU 84 -6.916 10.791 -3.352 720 HG2 GLU 84 HG2 GLU 84 -7.696 9.478 -1.605 721 HG3 GLU 84 HG3 GLU 84 -6.114 9.093 -1.087 722 H GLU 85 HN GLU 85 -6.349 7.937 -5.057 723 HA GLU 85 HA GLU 85 -5.414 9.407 -7.483 724 HB2 GLU 85 HB2 GLU 85 -5.188 7.001 -7.602 725 HB3 GLU 85 HB3 GLU 85 -6.871 6.771 -7.124 726 HG2 GLU 85 HG2 GLU 85 -7.726 7.686 -9.130 727 HG3 GLU 85 HG3 GLU 85 -6.103 8.213 -9.665 728 H TYR 86 HN TYR 86 -6.903 10.604 -8.761 729 HA TYR 86 HA TYR 86 -9.719 10.693 -7.965 730 HB2 TYR 86 HB2 TYR 86 -9.517 13.203 -7.793 731 HB3 TYR 86 HB3 TYR 86 -8.754 12.325 -6.479 732 HD1 TYR 86 HD1 TYR 86 -8.105 14.275 -9.565 733 HD2 TYR 86 HD2 TYR 86 -6.357 12.344 -6.144 734 HE1 TYR 86 HE1 TYR 86 -5.922 15.296 -10.128 735 HE2 TYR 86 HE2 TYR 86 -4.171 13.322 -6.678 736 HH TYR 86 HH TYR 86 -3.733 15.697 -9.325 737 H GLN 87 HN GLN 87 -11.046 11.280 -9.592 738 HA GLN 87 HA GLN 87 -10.238 12.219 -12.158 739 HB2 GLN 87 HB2 GLN 87 -10.613 10.127 -13.394 740 HB3 GLN 87 HB3 GLN 87 -9.201 10.050 -12.350 741 HG2 GLN 87 HG2 GLN 87 -11.043 8.991 -10.665 742 HG3 GLN 87 HG3 GLN 87 -11.775 8.536 -12.213 743 HE21 GLN 87 HE21 GLN 87 -10.265 7.128 -9.915 744 HE22 GLN 87 HE22 GLN 87 -8.890 6.279 -10.610 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 -12.530 -14.317 9.308 2 HA2 GLY 1 HA1 GLY 1 -12.236 -16.644 8.442 3 HA3 GLY 1 HA2 GLY 1 -12.960 -16.039 6.935 4 H GLU 2 HN GLU 2 -11.762 -14.558 5.597 5 HA GLU 2 HA GLU 2 -9.149 -13.593 6.565 6 HB2 GLU 2 HB2 GLU 2 -8.298 -13.681 4.319 7 HB3 GLU 2 HB3 GLU 2 -8.757 -15.304 4.818 8 HG2 GLU 2 HG2 GLU 2 -10.395 -13.499 2.976 9 HG3 GLU 2 HG3 GLU 2 -9.313 -14.777 2.452 10 H GLU 3 HN GLU 3 -8.930 -11.310 6.202 11 HA GLU 3 HA GLU 3 -11.433 -10.038 6.303 12 HB2 GLU 3 HB2 GLU 3 -9.276 -9.449 7.478 13 HB3 GLU 3 HB3 GLU 3 -8.667 -8.786 5.951 14 HG2 GLU 3 HG2 GLU 3 -10.606 -7.223 5.889 15 HG3 GLU 3 HG3 GLU 3 -11.200 -7.904 7.408 16 H THR 4 HN THR 4 -9.099 -10.307 3.634 17 HA THR 4 HA THR 4 -10.745 -8.478 1.966 18 HB THR 4 HB THR 4 -8.267 -8.625 0.723 19 HG1 THR 4 HG1 THR 4 -7.806 -8.209 3.486 20 HG21 THR 4 HG21 THR 4 -9.010 -6.491 2.753 21 HG22 THR 4 HG22 THR 4 -9.680 -6.581 1.111 22 HG23 THR 4 HG23 THR 4 -7.946 -6.321 1.349 23 HA PRO 5 HA PRO 5 -11.169 -12.028 -0.687 24 HB2 PRO 5 HB2 PRO 5 -11.155 -10.992 -3.237 25 HB3 PRO 5 HB3 PRO 5 -12.526 -10.808 -2.113 26 HG2 PRO 5 HG2 PRO 5 -10.340 -8.841 -2.723 27 HG3 PRO 5 HG3 PRO 5 -12.106 -8.555 -2.477 28 HD2 PRO 5 HD2 PRO 5 -10.148 -8.096 -0.600 29 HD3 PRO 5 HD3 PRO 5 -11.840 -8.484 -0.179 30 H LEU 6 HN LEU 6 -9.275 -13.086 -0.163 31 HA LEU 6 HA LEU 6 -7.164 -13.046 -2.223 32 HB2 LEU 6 HB2 LEU 6 -5.556 -13.626 -0.420 33 HB3 LEU 6 HB3 LEU 6 -6.001 -11.941 -0.540 34 HG LEU 6 HG LEU 6 -7.759 -13.386 1.351 35 HD11 LEU 6 HD11 LEU 6 -6.175 -13.842 3.090 36 HD12 LEU 6 HD12 LEU 6 -4.820 -13.268 2.084 37 HD13 LEU 6 HD13 LEU 6 -5.708 -14.754 1.659 38 HD21 LEU 6 HD21 LEU 6 -7.374 -10.883 1.008 39 HD22 LEU 6 HD22 LEU 6 -5.827 -11.087 1.843 40 HD23 LEU 6 HD23 LEU 6 -7.376 -11.453 2.675 41 H VAL 7 HN VAL 7 -8.616 -14.664 -3.043 42 HA VAL 7 HA VAL 7 -8.599 -17.356 -2.028 43 HB VAL 7 HB VAL 7 -8.775 -17.883 -4.460 44 HG11 VAL 7 HG11 VAL 7 -10.768 -17.224 -3.090 45 HG12 VAL 7 HG12 VAL 7 -10.628 -15.572 -3.707 46 HG13 VAL 7 HG13 VAL 7 -10.951 -16.917 -4.822 47 HG21 VAL 7 HG21 VAL 7 -7.331 -16.042 -5.369 48 HG22 VAL 7 HG22 VAL 7 -8.914 -16.072 -6.128 49 HG23 VAL 7 HG23 VAL 7 -8.579 -14.852 -4.911 50 H THR 8 HN THR 8 -6.088 -15.156 -2.939 51 HA THR 8 HA THR 8 -4.204 -16.818 -4.099 52 HB THR 8 HB THR 8 -3.511 -14.406 -2.408 53 HG1 THR 8 HG1 THR 8 -4.571 -13.021 -3.653 54 HG21 THR 8 HG21 THR 8 -2.194 -13.829 -4.423 55 HG22 THR 8 HG22 THR 8 -2.841 -15.248 -5.267 56 HG23 THR 8 HG23 THR 8 -1.776 -15.441 -3.853 57 H ALA 9 HN ALA 9 -2.046 -17.409 -3.148 58 HA ALA 9 HA ALA 9 -2.258 -18.935 -0.819 59 HB1 ALA 9 HB1 ALA 9 -0.803 -19.383 -2.812 60 HB2 ALA 9 HB2 ALA 9 0.215 -17.998 -2.332 61 HB3 ALA 9 HB3 ALA 9 0.065 -19.419 -1.277 62 H ARG 10 HN ARG 10 -0.157 -18.736 0.530 63 HA ARG 10 HA ARG 10 -0.530 -16.413 2.302 64 HB2 ARG 10 HB2 ARG 10 1.210 -18.811 2.924 65 HB3 ARG 10 HB3 ARG 10 0.292 -17.768 4.010 66 HG2 ARG 10 HG2 ARG 10 -1.835 -18.785 2.851 67 HG3 ARG 10 HG3 ARG 10 -0.730 -19.968 2.164 68 HD2 ARG 10 HD2 ARG 10 -1.487 -21.016 4.110 69 HD3 ARG 10 HD3 ARG 10 0.095 -20.364 4.599 70 HE ARG 10 HE ARG 10 -1.737 -18.367 5.209 71 HH11 ARG 10 HH11 ARG 10 -1.211 -21.746 6.187 72 HH12 ARG 10 HH12 ARG 10 -2.322 -21.634 7.541 73 HH21 ARG 10 HH21 ARG 10 -2.958 -18.192 7.203 74 HH22 ARG 10 HH22 ARG 10 -3.226 -19.614 8.154 75 H HIS 11 HN HIS 11 2.016 -16.424 3.495 76 HA HIS 11 HA HIS 11 3.905 -15.269 3.380 77 HB2 HIS 11 HB2 HIS 11 4.264 -17.325 1.236 78 HB3 HIS 11 HB3 HIS 11 5.459 -16.043 1.401 79 HD1 HIS 11 HD1 HIS 11 7.417 -17.078 2.673 80 HD2 HIS 11 HD2 HIS 11 3.644 -17.971 4.332 81 HE1 HIS 11 HE1 HIS 11 7.871 -18.206 4.886 82 H MET 12 HN MET 12 2.571 -13.545 3.164 83 HA MET 12 HA MET 12 2.569 -11.927 0.744 84 HB2 MET 12 HB2 MET 12 2.001 -11.420 3.703 85 HB3 MET 12 HB3 MET 12 1.987 -10.146 2.502 86 HG2 MET 12 HG2 MET 12 0.254 -11.336 1.189 87 HG3 MET 12 HG3 MET 12 0.255 -12.621 2.389 88 HE1 MET 12 HE1 MET 12 -1.991 -8.965 1.853 89 HE2 MET 12 HE2 MET 12 -0.952 -8.294 3.110 90 HE3 MET 12 HE3 MET 12 -0.249 -8.957 1.622 91 H SER 13 HN SER 13 3.694 -9.630 1.313 92 HA SER 13 HA SER 13 6.491 -10.243 0.987 93 HB2 SER 13 HB2 SER 13 4.991 -8.690 -0.452 94 HB3 SER 13 HB3 SER 13 5.241 -7.491 0.825 95 HG SER 13 HG SER 13 7.065 -8.707 -0.928 96 H LYS 14 HN LYS 14 7.224 -7.607 1.816 97 HA LYS 14 HA LYS 14 7.495 -7.899 4.783 98 HB2 LYS 14 HB2 LYS 14 9.623 -7.769 3.459 99 HB3 LYS 14 HB3 LYS 14 9.078 -6.247 2.764 100 HG2 LYS 14 HG2 LYS 14 10.690 -5.794 4.400 101 HG3 LYS 14 HG3 LYS 14 9.179 -5.181 5.026 102 HD2 LYS 14 HD2 LYS 14 9.984 -7.993 5.813 103 HD3 LYS 14 HD3 LYS 14 10.898 -6.649 6.516 104 HE2 LYS 14 HE2 LYS 14 8.905 -5.652 7.451 105 HE3 LYS 14 HE3 LYS 14 7.854 -6.791 6.606 106 HZ1 LYS 14 HZ1 LYS 14 9.802 -7.666 8.646 107 HZ2 LYS 14 HZ2 LYS 14 8.530 -8.523 7.970 108 HZ3 LYS 14 HZ3 LYS 14 8.238 -7.288 8.951 109 H TRP 15 HN TRP 15 6.674 -5.609 2.176 110 HA TRP 15 HA TRP 15 6.042 -3.521 4.171 111 HB2 TRP 15 HB2 TRP 15 6.604 -3.404 1.187 112 HB3 TRP 15 HB3 TRP 15 6.278 -2.011 2.205 113 HD1 TRP 15 HD1 TRP 15 9.091 -4.118 1.050 114 HE1 TRP 15 HE1 TRP 15 11.273 -3.490 2.258 115 HE3 TRP 15 HE3 TRP 15 7.151 -1.199 4.772 116 HZ2 TRP 15 HZ2 TRP 15 12.029 -2.088 4.671 117 HZ3 TRP 15 HZ3 TRP 15 8.581 -0.398 6.609 118 HH2 TRP 15 HH2 TRP 15 11.042 -0.858 6.582 119 H GLU 16 HN GLU 16 4.221 -5.734 2.589 120 HA GLU 16 HA GLU 16 2.297 -4.106 1.214 121 HB2 GLU 16 HB2 GLU 16 1.379 -6.184 0.577 122 HB3 GLU 16 HB3 GLU 16 3.116 -6.476 0.683 123 HG2 GLU 16 HG2 GLU 16 0.961 -7.374 2.577 124 HG3 GLU 16 HG3 GLU 16 1.949 -8.326 1.452 125 H GLU 17 HN GLU 17 2.381 -5.665 4.405 126 HA GLU 17 HA GLU 17 -0.380 -5.303 5.051 127 HB2 GLU 17 HB2 GLU 17 2.157 -6.086 6.419 128 HB3 GLU 17 HB3 GLU 17 0.951 -5.343 7.472 129 HG2 GLU 17 HG2 GLU 17 0.087 -7.511 5.530 130 HG3 GLU 17 HG3 GLU 17 0.907 -7.915 7.015 131 H ILE 18 HN ILE 18 2.610 -3.453 5.698 132 HA ILE 18 HA ILE 18 1.601 -1.281 7.200 133 HB ILE 18 HB ILE 18 3.885 -1.459 5.200 134 HG12 ILE 18 HG12 ILE 18 4.065 -1.504 8.242 135 HG13 ILE 18 HG13 ILE 18 3.869 -2.988 7.321 136 HG21 ILE 18 HG21 ILE 18 4.828 0.537 6.312 137 HG22 ILE 18 HG22 ILE 18 3.289 0.909 5.549 138 HG23 ILE 18 HG23 ILE 18 3.364 0.683 7.309 139 HD11 ILE 18 HD11 ILE 18 5.926 -2.571 6.077 140 HD12 ILE 18 HD12 ILE 18 6.203 -1.074 7.010 141 HD13 ILE 18 HD13 ILE 18 6.220 -2.648 7.805 142 H ALA 19 HN ALA 19 1.821 -1.679 3.628 143 HA ALA 19 HA ALA 19 0.658 0.782 2.946 144 HB1 ALA 19 HB1 ALA 19 0.413 -1.889 1.495 145 HB2 ALA 19 HB2 ALA 19 0.027 -0.300 0.820 146 HB3 ALA 19 HB3 ALA 19 1.701 -0.685 1.276 147 H VAL 20 HN VAL 20 -1.089 -2.389 3.372 148 HA VAL 20 HA VAL 20 -3.649 -1.239 2.960 149 HB VAL 20 HB VAL 20 -2.743 -3.741 4.490 150 HG11 VAL 20 HG11 VAL 20 -5.038 -3.203 5.246 151 HG12 VAL 20 HG12 VAL 20 -5.555 -2.949 3.571 152 HG13 VAL 20 HG13 VAL 20 -5.106 -4.570 4.132 153 HG21 VAL 20 HG21 VAL 20 -3.522 -4.875 2.416 154 HG22 VAL 20 HG22 VAL 20 -3.836 -3.314 1.685 155 HG23 VAL 20 HG23 VAL 20 -2.172 -3.783 2.144 156 H LYS 21 HN LYS 21 -1.726 -1.696 5.938 157 HA LYS 21 HA LYS 21 -3.735 -1.139 7.845 158 HB2 LYS 21 HB2 LYS 21 -0.708 -0.876 7.860 159 HB3 LYS 21 HB3 LYS 21 -1.681 -0.442 9.267 160 HG2 LYS 21 HG2 LYS 21 -2.615 -2.654 9.441 161 HG3 LYS 21 HG3 LYS 21 -1.869 -3.187 7.938 162 HD2 LYS 21 HD2 LYS 21 0.375 -2.899 8.864 163 HD3 LYS 21 HD3 LYS 21 -0.287 -2.217 10.354 164 HE2 LYS 21 HE2 LYS 21 -0.749 -5.054 9.329 165 HE3 LYS 21 HE3 LYS 21 0.399 -4.604 10.595 166 HZ1 LYS 21 HZ1 LYS 21 -1.506 -3.797 11.895 167 HZ2 LYS 21 HZ2 LYS 21 -1.621 -5.402 11.546 168 HZ3 LYS 21 HZ3 LYS 21 -2.538 -4.350 10.715 169 H GLU 22 HN GLU 22 -1.324 1.122 6.365 170 HA GLU 22 HA GLU 22 -2.415 3.445 7.613 171 HB2 GLU 22 HB2 GLU 22 -0.937 3.109 4.985 172 HB3 GLU 22 HB3 GLU 22 -1.382 4.677 5.704 173 HG2 GLU 22 HG2 GLU 22 0.362 2.584 7.113 174 HG3 GLU 22 HG3 GLU 22 1.010 3.917 6.172 175 H ALA 23 HN ALA 23 -3.056 1.959 4.398 176 HA ALA 23 HA ALA 23 -4.939 3.838 3.520 177 HB1 ALA 23 HB1 ALA 23 -5.579 2.156 1.867 178 HB2 ALA 23 HB2 ALA 23 -3.814 2.204 2.056 179 HB3 ALA 23 HB3 ALA 23 -4.760 0.889 2.799 180 H LYS 24 HN LYS 24 -5.488 1.242 5.867 181 HA LYS 24 HA LYS 24 -8.405 1.738 5.717 182 HB2 LYS 24 HB2 LYS 24 -8.805 0.125 7.288 183 HB3 LYS 24 HB3 LYS 24 -7.735 -0.539 6.060 184 HG2 LYS 24 HG2 LYS 24 -5.829 -0.350 7.578 185 HG3 LYS 24 HG3 LYS 24 -6.885 0.475 8.750 186 HD2 LYS 24 HD2 LYS 24 -6.693 -1.768 9.528 187 HD3 LYS 24 HD3 LYS 24 -8.293 -1.639 8.782 188 HE2 LYS 24 HE2 LYS 24 -7.236 -2.561 6.637 189 HE3 LYS 24 HE3 LYS 24 -5.771 -2.890 7.583 190 HZ1 LYS 24 HZ1 LYS 24 -6.911 -4.868 7.859 191 HZ2 LYS 24 HZ2 LYS 24 -8.380 -4.185 7.659 192 HZ3 LYS 24 HZ3 LYS 24 -7.663 -4.029 9.083 193 H LYS 25 HN LYS 25 -5.711 2.549 7.949 194 HA LYS 25 HA LYS 25 -7.718 3.471 9.854 195 HB2 LYS 25 HB2 LYS 25 -5.912 4.157 11.288 196 HB3 LYS 25 HB3 LYS 25 -5.756 2.520 10.685 197 HG2 LYS 25 HG2 LYS 25 -3.619 3.235 10.731 198 HG3 LYS 25 HG3 LYS 25 -4.038 3.374 9.043 199 HD2 LYS 25 HD2 LYS 25 -3.504 5.514 8.945 200 HD3 LYS 25 HD3 LYS 25 -4.435 5.940 10.388 201 HE2 LYS 25 HE2 LYS 25 -2.643 5.552 11.849 202 HE3 LYS 25 HE3 LYS 25 -1.892 4.379 10.760 203 HZ1 LYS 25 HZ1 LYS 25 -1.226 6.108 9.312 204 HZ2 LYS 25 HZ2 LYS 25 -0.594 6.326 10.758 205 HZ3 LYS 25 HZ3 LYS 25 -1.864 7.288 10.304 206 H ARG 26 HN ARG 26 -5.655 5.011 7.539 207 HA ARG 26 HA ARG 26 -6.055 7.741 8.226 208 HB2 ARG 26 HB2 ARG 26 -4.245 6.614 6.873 209 HB3 ARG 26 HB3 ARG 26 -5.358 6.472 5.535 210 HG2 ARG 26 HG2 ARG 26 -4.969 9.206 6.721 211 HG3 ARG 26 HG3 ARG 26 -3.584 8.424 5.874 212 HD2 ARG 26 HD2 ARG 26 -4.932 8.015 3.966 213 HD3 ARG 26 HD3 ARG 26 -6.215 9.079 4.555 214 HE ARG 26 HE ARG 26 -3.785 9.710 3.235 215 HH11 ARG 26 HH11 ARG 26 -6.056 11.198 5.591 216 HH12 ARG 26 HH12 ARG 26 -5.383 12.767 5.329 217 HH21 ARG 26 HH21 ARG 26 -3.046 11.925 2.894 218 HH22 ARG 26 HH22 ARG 26 -3.764 13.140 3.851 219 H TYR 27 HN TYR 27 -8.472 5.706 7.257 220 HA TYR 27 HA TYR 27 -10.027 7.790 5.858 221 HB2 TYR 27 HB2 TYR 27 -9.764 4.889 4.937 222 HB3 TYR 27 HB3 TYR 27 -10.910 6.071 4.311 223 HD1 TYR 27 HD1 TYR 27 -7.302 5.310 4.646 224 HD2 TYR 27 HD2 TYR 27 -10.267 7.738 2.695 225 HE1 TYR 27 HE1 TYR 27 -5.560 6.165 3.122 226 HE2 TYR 27 HE2 TYR 27 -8.548 8.598 1.147 227 HH TYR 27 HH TYR 27 -6.102 8.918 1.173 228 HA PRO 28 HA PRO 28 -12.208 5.760 9.433 229 HB2 PRO 28 HB2 PRO 28 -13.223 8.118 10.500 230 HB3 PRO 28 HB3 PRO 28 -11.667 7.374 10.951 231 HG2 PRO 28 HG2 PRO 28 -12.178 9.719 9.149 232 HG3 PRO 28 HG3 PRO 28 -10.748 9.359 10.176 233 HD2 PRO 28 HD2 PRO 28 -10.821 9.022 7.459 234 HD3 PRO 28 HD3 PRO 28 -9.677 8.251 8.601 235 H LEU 29 HN LEU 29 -13.041 7.872 6.836 236 HA LEU 29 HA LEU 29 -15.883 6.940 6.800 237 HB2 LEU 29 HB2 LEU 29 -14.531 9.479 5.883 238 HB3 LEU 29 HB3 LEU 29 -16.022 8.945 5.132 239 HG LEU 29 HG LEU 29 -16.307 10.648 6.857 240 HD11 LEU 29 HD11 LEU 29 -18.303 9.693 7.858 241 HD12 LEU 29 HD12 LEU 29 -17.734 8.060 7.466 242 HD13 LEU 29 HD13 LEU 29 -18.145 9.186 6.165 243 HD21 LEU 29 HD21 LEU 29 -15.715 8.490 8.908 244 HD22 LEU 29 HD22 LEU 29 -16.299 10.113 9.214 245 HD23 LEU 29 HD23 LEU 29 -14.660 9.880 8.547 246 H ALA 30 HN ALA 30 -13.965 5.059 6.058 247 HA ALA 30 HA ALA 30 -15.287 4.272 3.762 248 HB1 ALA 30 HB1 ALA 30 -13.521 3.940 2.154 249 HB2 ALA 30 HB2 ALA 30 -13.742 5.660 2.424 250 HB3 ALA 30 HB3 ALA 30 -12.364 4.829 3.182 251 H GLN 31 HN GLN 31 -14.665 2.096 3.001 252 HA GLN 31 HA GLN 31 -13.148 0.488 5.022 253 HB2 GLN 31 HB2 GLN 31 -15.255 -0.336 2.978 254 HB3 GLN 31 HB3 GLN 31 -14.339 -1.443 4.006 255 HG2 GLN 31 HG2 GLN 31 -16.310 0.670 4.961 256 HG3 GLN 31 HG3 GLN 31 -16.541 -1.075 4.942 257 HE21 GLN 31 HE21 GLN 31 -15.140 1.575 6.607 258 HE22 GLN 31 HE22 GLN 31 -14.571 0.708 8.032 259 H VAL 32 HN VAL 32 -11.178 -0.338 4.333 260 HA VAL 32 HA VAL 32 -10.434 -0.256 1.509 261 HB VAL 32 HB VAL 32 -9.211 -1.694 3.924 262 HG11 VAL 32 HG11 VAL 32 -8.449 -2.930 1.990 263 HG12 VAL 32 HG12 VAL 32 -8.165 -1.433 1.065 264 HG13 VAL 32 HG13 VAL 32 -7.139 -1.842 2.443 265 HG21 VAL 32 HG21 VAL 32 -7.503 -0.026 3.889 266 HG22 VAL 32 HG22 VAL 32 -8.237 0.806 2.532 267 HG23 VAL 32 HG23 VAL 32 -9.099 0.737 4.063 268 H LEU 33 HN LEU 33 -10.620 -2.122 0.070 269 HA LEU 33 HA LEU 33 -11.251 -4.771 1.169 270 HB2 LEU 33 HB2 LEU 33 -13.032 -4.856 -0.823 271 HB3 LEU 33 HB3 LEU 33 -13.432 -4.569 0.827 272 HG LEU 33 HG LEU 33 -12.862 -2.065 -0.691 273 HD11 LEU 33 HD11 LEU 33 -13.746 -3.124 -2.585 274 HD12 LEU 33 HD12 LEU 33 -15.116 -2.244 -1.884 275 HD13 LEU 33 HD13 LEU 33 -14.999 -3.973 -1.636 276 HD21 LEU 33 HD21 LEU 33 -13.981 -2.498 1.690 277 HD22 LEU 33 HD22 LEU 33 -15.444 -2.750 0.729 278 HD23 LEU 33 HD23 LEU 33 -14.527 -1.214 0.669 279 H PHE 34 HN PHE 34 -9.031 -3.275 -0.490 280 HA PHE 34 HA PHE 34 -8.668 -5.401 -2.485 281 HB2 PHE 34 HB2 PHE 34 -9.449 -2.606 -3.080 282 HB3 PHE 34 HB3 PHE 34 -7.955 -3.068 -3.858 283 HD1 PHE 34 HD1 PHE 34 -8.004 -5.441 -5.110 284 HD2 PHE 34 HD2 PHE 34 -11.462 -2.992 -4.257 285 HE1 PHE 34 HE1 PHE 34 -9.222 -6.503 -6.986 286 HE2 PHE 34 HE2 PHE 34 -12.649 -4.009 -6.176 287 HZ PHE 34 HZ PHE 34 -11.547 -5.787 -7.523 288 H LYS 35 HN LYS 35 -6.459 -5.541 -3.107 289 HA LYS 35 HA LYS 35 -4.482 -3.689 -2.097 290 HB2 LYS 35 HB2 LYS 35 -3.285 -5.852 -1.015 291 HB3 LYS 35 HB3 LYS 35 -4.300 -4.791 -0.069 292 HG2 LYS 35 HG2 LYS 35 -6.093 -6.275 -0.024 293 HG3 LYS 35 HG3 LYS 35 -5.504 -7.188 -1.432 294 HD2 LYS 35 HD2 LYS 35 -5.034 -8.648 0.206 295 HD3 LYS 35 HD3 LYS 35 -3.486 -7.772 0.091 296 HE2 LYS 35 HE2 LYS 35 -3.726 -6.763 2.114 297 HE3 LYS 35 HE3 LYS 35 -5.498 -6.714 2.034 298 HZ1 LYS 35 HZ1 LYS 35 -4.629 -8.224 3.697 299 HZ2 LYS 35 HZ2 LYS 35 -3.990 -9.204 2.502 300 HZ3 LYS 35 HZ3 LYS 35 -5.628 -8.927 2.627 301 H GLN 36 HN GLN 36 -3.265 -3.396 -3.903 302 HA GLN 36 HA GLN 36 -2.262 -5.858 -5.229 303 HB2 GLN 36 HB2 GLN 36 -2.799 -5.177 -7.436 304 HB3 GLN 36 HB3 GLN 36 -4.286 -5.111 -6.491 305 HG2 GLN 36 HG2 GLN 36 -4.070 -2.656 -6.311 306 HG3 GLN 36 HG3 GLN 36 -2.589 -2.722 -7.283 307 HE21 GLN 36 HE21 GLN 36 -6.045 -2.522 -7.379 308 HE22 GLN 36 HE22 GLN 36 -6.185 -2.563 -9.123 309 H LYS 37 HN LYS 37 -0.271 -5.584 -6.369 310 HA LYS 37 HA LYS 37 1.229 -3.106 -5.666 311 HB2 LYS 37 HB2 LYS 37 3.269 -4.291 -6.178 312 HB3 LYS 37 HB3 LYS 37 2.346 -5.148 -4.962 313 HG2 LYS 37 HG2 LYS 37 2.855 -6.968 -6.162 314 HG3 LYS 37 HG3 LYS 37 1.487 -6.498 -7.165 315 HD2 LYS 37 HD2 LYS 37 3.070 -5.370 -8.750 316 HD3 LYS 37 HD3 LYS 37 4.423 -5.901 -7.729 317 HE2 LYS 37 HE2 LYS 37 3.598 -8.293 -8.031 318 HE3 LYS 37 HE3 LYS 37 2.387 -7.663 -9.152 319 HZ1 LYS 37 HZ1 LYS 37 5.320 -7.572 -9.555 320 HZ2 LYS 37 HZ2 LYS 37 4.238 -6.829 -10.521 321 HZ3 LYS 37 HZ3 LYS 37 4.226 -8.474 -10.374 322 H VAL 38 HN VAL 38 1.716 -1.695 -7.287 323 HA VAL 38 HA VAL 38 1.584 -2.674 -10.072 324 HB VAL 38 HB VAL 38 -0.525 -1.634 -9.479 325 HG11 VAL 38 HG11 VAL 38 -0.751 0.750 -9.114 326 HG12 VAL 38 HG12 VAL 38 0.213 0.028 -7.821 327 HG13 VAL 38 HG13 VAL 38 1.007 0.948 -9.118 328 HG21 VAL 38 HG21 VAL 38 -0.775 -0.153 -11.385 329 HG22 VAL 38 HG22 VAL 38 0.972 0.026 -11.545 330 HG23 VAL 38 HG23 VAL 38 0.209 -1.557 -11.819 331 H TRP 39 HN TRP 39 3.645 -1.585 -7.766 332 HA TRP 39 HA TRP 39 5.541 -0.833 -9.816 333 HB2 TRP 39 HB2 TRP 39 4.397 1.258 -8.436 334 HB3 TRP 39 HB3 TRP 39 5.709 0.858 -7.355 335 HD1 TRP 39 HD1 TRP 39 5.689 0.953 -11.230 336 HE1 TRP 39 HE1 TRP 39 7.351 2.669 -12.087 337 HE3 TRP 39 HE3 TRP 39 7.207 2.893 -6.758 338 HZ2 TRP 39 HZ2 TRP 39 9.026 4.743 -10.995 339 HZ3 TRP 39 HZ3 TRP 39 8.830 4.772 -6.697 340 HH2 TRP 39 HH2 TRP 39 9.698 5.738 -8.808 341 H ASP 40 HN ASP 40 7.747 -1.080 -8.973 342 HA ASP 40 HA ASP 40 8.150 -2.639 -6.530 343 HB2 ASP 40 HB2 ASP 40 8.946 -4.635 -7.777 344 HB3 ASP 40 HB3 ASP 40 7.237 -4.335 -7.979 345 H ARG 41 HN ARG 41 9.148 -0.162 -7.801 346 HA ARG 41 HA ARG 41 11.665 -0.565 -9.023 347 HB2 ARG 41 HB2 ARG 41 9.952 1.294 -9.296 348 HB3 ARG 41 HB3 ARG 41 10.548 1.997 -7.813 349 HG2 ARG 41 HG2 ARG 41 12.765 1.510 -9.683 350 HG3 ARG 41 HG3 ARG 41 11.456 2.378 -10.469 351 HD2 ARG 41 HD2 ARG 41 11.463 4.047 -8.613 352 HD3 ARG 41 HD3 ARG 41 12.885 3.250 -7.922 353 HE ARG 41 HE ARG 41 13.818 3.672 -10.356 354 HH11 ARG 41 HH11 ARG 41 12.067 6.041 -8.317 355 HH12 ARG 41 HH12 ARG 41 12.571 7.383 -9.262 356 HH21 ARG 41 HH21 ARG 41 14.616 5.473 -11.415 357 HH22 ARG 41 HH22 ARG 41 14.224 7.085 -10.896 358 H LYS 42 HN LYS 42 13.807 0.374 -8.274 359 HA LYS 42 HA LYS 42 14.064 1.283 -5.546 360 HB2 LYS 42 HB2 LYS 42 15.873 -0.368 -4.948 361 HB3 LYS 42 HB3 LYS 42 14.263 -1.004 -4.918 362 HG2 LYS 42 HG2 LYS 42 16.064 -1.386 -7.345 363 HG3 LYS 42 HG3 LYS 42 16.240 -2.379 -5.907 364 HD2 LYS 42 HD2 LYS 42 13.737 -2.247 -7.629 365 HD3 LYS 42 HD3 LYS 42 14.930 -3.532 -7.572 366 HE2 LYS 42 HE2 LYS 42 14.404 -3.897 -5.153 367 HE3 LYS 42 HE3 LYS 42 13.141 -2.650 -5.266 368 HZ1 LYS 42 HZ1 LYS 42 12.027 -3.952 -6.897 369 HZ2 LYS 42 HZ2 LYS 42 12.227 -4.848 -5.528 370 HZ3 LYS 42 HZ3 LYS 42 13.199 -5.127 -6.851 371 H ARG 43 HN ARG 43 16.561 1.654 -5.118 372 HA ARG 43 HA ARG 43 17.987 2.413 -7.617 373 HB2 ARG 43 HB2 ARG 43 18.332 3.729 -4.900 374 HB3 ARG 43 HB3 ARG 43 19.174 4.125 -6.401 375 HG2 ARG 43 HG2 ARG 43 16.230 4.568 -5.914 376 HG3 ARG 43 HG3 ARG 43 17.517 5.766 -5.822 377 HD2 ARG 43 HD2 ARG 43 17.755 4.514 -8.391 378 HD3 ARG 43 HD3 ARG 43 16.043 4.835 -8.140 379 HE ARG 43 HE ARG 43 16.430 7.120 -8.096 380 HH11 ARG 43 HH11 ARG 43 19.567 5.459 -8.561 381 HH12 ARG 43 HH12 ARG 43 20.492 6.913 -8.298 382 HH21 ARG 43 HH21 ARG 43 17.663 9.033 -8.229 383 HH22 ARG 43 HH22 ARG 43 19.352 8.998 -8.497 384 H LYS 44 HN LYS 44 20.502 2.704 -6.136 385 HA LYS 44 HA LYS 44 21.118 -0.155 -5.576 386 HB2 LYS 44 HB2 LYS 44 22.670 2.202 -6.397 387 HB3 LYS 44 HB3 LYS 44 23.318 1.531 -4.909 388 HG2 LYS 44 HG2 LYS 44 23.782 -0.567 -5.851 389 HG3 LYS 44 HG3 LYS 44 22.706 -0.316 -7.242 390 HD2 LYS 44 HD2 LYS 44 24.173 1.142 -8.325 391 HD3 LYS 44 HD3 LYS 44 25.000 1.577 -6.839 392 HE2 LYS 44 HE2 LYS 44 26.426 0.240 -8.319 393 HE3 LYS 44 HE3 LYS 44 26.182 -0.521 -6.747 394 HZ1 LYS 44 HZ1 LYS 44 25.992 -2.070 -8.616 395 HZ2 LYS 44 HZ2 LYS 44 24.650 -1.279 -9.159 396 HZ3 LYS 44 HZ3 LYS 44 24.689 -2.053 -7.679 397 H ASP 45 HN ASP 45 21.077 3.087 -4.062 398 HA ASP 45 HA ASP 45 20.956 1.872 -1.343 399 HB2 ASP 45 HB2 ASP 45 23.075 2.949 -1.826 400 HB3 ASP 45 HB3 ASP 45 22.250 4.402 -2.402 401 H GLU 46 HN GLU 46 18.679 1.835 -2.354 402 HA GLU 46 HA GLU 46 17.019 3.078 -0.607 403 HB2 GLU 46 HB2 GLU 46 17.339 4.720 -3.071 404 HB3 GLU 46 HB3 GLU 46 15.677 4.259 -2.730 405 HG2 GLU 46 HG2 GLU 46 15.597 5.286 -0.662 406 HG3 GLU 46 HG3 GLU 46 17.339 5.570 -0.581 407 H ALA 47 HN ALA 47 14.786 2.196 -0.974 408 HA ALA 47 HA ALA 47 14.247 0.730 -3.433 409 HB1 ALA 47 HB1 ALA 47 13.709 -1.336 -2.176 410 HB2 ALA 47 HB2 ALA 47 15.437 -0.943 -2.064 411 HB3 ALA 47 HB3 ALA 47 14.380 -0.585 -0.693 412 H VAL 48 HN VAL 48 11.898 0.479 -3.767 413 HA VAL 48 HA VAL 48 10.240 1.785 -1.706 414 HB VAL 48 HB VAL 48 9.158 3.024 -3.669 415 HG11 VAL 48 HG11 VAL 48 11.967 3.869 -2.819 416 HG12 VAL 48 HG12 VAL 48 10.781 4.907 -3.621 417 HG13 VAL 48 HG13 VAL 48 10.423 4.248 -2.033 418 HG21 VAL 48 HG21 VAL 48 10.518 3.596 -5.606 419 HG22 VAL 48 HG22 VAL 48 11.849 2.581 -5.049 420 HG23 VAL 48 HG23 VAL 48 10.308 1.841 -5.536 421 H LYS 49 HN LYS 49 8.131 0.875 -1.646 422 HA LYS 49 HA LYS 49 7.282 -0.745 -3.937 423 HB2 LYS 49 HB2 LYS 49 7.680 -2.055 -1.248 424 HB3 LYS 49 HB3 LYS 49 6.328 -2.490 -2.289 425 HG2 LYS 49 HG2 LYS 49 7.686 -3.899 -3.370 426 HG3 LYS 49 HG3 LYS 49 8.335 -2.520 -4.160 427 HD2 LYS 49 HD2 LYS 49 10.315 -3.378 -3.455 428 HD3 LYS 49 HD3 LYS 49 9.968 -2.432 -2.031 429 HE2 LYS 49 HE2 LYS 49 10.705 -4.663 -1.386 430 HE3 LYS 49 HE3 LYS 49 8.992 -4.462 -0.935 431 HZ1 LYS 49 HZ1 LYS 49 9.794 -5.708 -3.467 432 HZ2 LYS 49 HZ2 LYS 49 8.339 -5.788 -2.647 433 HZ3 LYS 49 HZ3 LYS 49 9.647 -6.597 -2.080 434 H GLN 50 HN GLN 50 5.998 0.752 -4.481 435 HA GLN 50 HA GLN 50 4.117 2.019 -2.584 436 HB2 GLN 50 HB2 GLN 50 4.948 2.462 -5.480 437 HB3 GLN 50 HB3 GLN 50 3.611 3.341 -4.736 438 HG2 GLN 50 HG2 GLN 50 5.027 4.426 -3.166 439 HG3 GLN 50 HG3 GLN 50 6.364 3.315 -3.423 440 HE21 GLN 50 HE21 GLN 50 7.578 5.548 -3.666 441 HE22 GLN 50 HE22 GLN 50 7.670 6.073 -5.307 442 H TYR 51 HN TYR 51 2.122 1.170 -2.350 443 HA TYR 51 HA TYR 51 1.152 -0.926 -4.235 444 HB2 TYR 51 HB2 TYR 51 0.688 -0.287 -1.309 445 HB3 TYR 51 HB3 TYR 51 -0.424 -1.313 -2.197 446 HD1 TYR 51 HD1 TYR 51 3.046 -1.100 -0.860 447 HD2 TYR 51 HD2 TYR 51 0.127 -3.519 -2.898 448 HE1 TYR 51 HE1 TYR 51 4.502 -3.077 -0.585 449 HE2 TYR 51 HE2 TYR 51 1.514 -5.530 -2.545 450 HH TYR 51 HH TYR 51 3.541 -6.280 -1.946 451 H HIS 52 HN HIS 52 -1.267 -1.012 -4.395 452 HA HIS 52 HA HIS 52 -2.608 1.615 -4.471 453 HB2 HIS 52 HB2 HIS 52 -1.789 0.978 -6.744 454 HB3 HIS 52 HB3 HIS 52 -2.621 -0.569 -6.597 455 HD1 HIS 52 HD1 HIS 52 -4.555 2.591 -5.507 456 HD2 HIS 52 HD2 HIS 52 -4.005 0.038 -8.829 457 HE1 HIS 52 HE1 HIS 52 -6.324 3.218 -7.194 458 H LEU 53 HN LEU 53 -4.526 1.405 -3.275 459 HA LEU 53 HA LEU 53 -5.807 -1.250 -3.036 460 HB2 LEU 53 HB2 LEU 53 -5.851 1.021 -1.042 461 HB3 LEU 53 HB3 LEU 53 -6.413 -0.624 -0.823 462 HG LEU 53 HG LEU 53 -4.612 -0.243 0.502 463 HD11 LEU 53 HD11 LEU 53 -4.559 -2.490 -0.362 464 HD12 LEU 53 HD12 LEU 53 -2.951 -1.929 0.048 465 HD13 LEU 53 HD13 LEU 53 -3.428 -1.966 -1.647 466 HD21 LEU 53 HD21 LEU 53 -2.484 0.473 0.185 467 HD22 LEU 53 HD22 LEU 53 -3.507 1.641 -0.672 468 HD23 LEU 53 HD23 LEU 53 -2.587 0.417 -1.590 469 H THR 54 HN THR 54 -8.277 -0.694 -2.314 470 HA THR 54 HA THR 54 -9.313 1.710 -3.704 471 HB THR 54 HB THR 54 -10.637 -1.004 -3.688 472 HG1 THR 54 HG1 THR 54 -9.503 0.101 -6.001 473 HG21 THR 54 HG21 THR 54 -12.106 1.049 -4.012 474 HG22 THR 54 HG22 THR 54 -12.234 -0.237 -5.186 475 HG23 THR 54 HG23 THR 54 -11.317 1.269 -5.572 476 H LEU 55 HN LEU 55 -10.630 2.808 -2.414 477 HA LEU 55 HA LEU 55 -11.630 1.550 0.120 478 HB2 LEU 55 HB2 LEU 55 -11.336 4.403 -0.823 479 HB3 LEU 55 HB3 LEU 55 -12.501 4.015 0.370 480 HG LEU 55 HG LEU 55 -10.777 4.768 1.641 481 HD11 LEU 55 HD11 LEU 55 -11.441 2.676 2.617 482 HD12 LEU 55 HD12 LEU 55 -9.770 3.103 2.966 483 HD13 LEU 55 HD13 LEU 55 -10.128 1.857 1.748 484 HD21 LEU 55 HD21 LEU 55 -8.360 4.047 1.340 485 HD22 LEU 55 HD22 LEU 55 -9.095 5.157 0.194 486 HD23 LEU 55 HD23 LEU 55 -8.896 3.474 -0.282 487 H ARG 56 HN ARG 56 -13.818 1.437 0.543 488 HA ARG 56 HA ARG 56 -15.760 2.372 -1.516 489 HB2 ARG 56 HB2 ARG 56 -15.378 -0.156 -1.401 490 HB3 ARG 56 HB3 ARG 56 -16.249 -0.120 0.138 491 HG2 ARG 56 HG2 ARG 56 -18.265 0.504 -0.871 492 HG3 ARG 56 HG3 ARG 56 -17.445 1.134 -2.293 493 HD2 ARG 56 HD2 ARG 56 -16.798 -1.169 -2.982 494 HD3 ARG 56 HD3 ARG 56 -17.775 -1.812 -1.641 495 HE ARG 56 HE ARG 56 -19.309 0.037 -3.181 496 HH11 ARG 56 HH11 ARG 56 -17.897 -3.233 -3.875 497 HH12 ARG 56 HH12 ARG 56 -19.205 -3.606 -4.919 498 HH21 ARG 56 HH21 ARG 56 -20.838 -0.520 -4.754 499 HH22 ARG 56 HH22 ARG 56 -20.863 -2.126 -5.400 500 H GLU 57 HN GLU 57 -16.704 4.093 -0.594 501 HA GLU 57 HA GLU 57 -17.512 3.992 2.247 502 HB2 GLU 57 HB2 GLU 57 -15.952 5.706 1.928 503 HB3 GLU 57 HB3 GLU 57 -16.929 6.411 0.649 504 HG2 GLU 57 HG2 GLU 57 -17.273 7.552 2.718 505 HG3 GLU 57 HG3 GLU 57 -18.774 6.811 2.191 506 H GLY 58 HN GLY 58 -19.679 3.383 2.272 507 HA2 GLY 58 HA1 GLY 58 -21.863 3.120 1.746 508 HA3 GLY 58 HA2 GLY 58 -21.781 4.848 1.421 509 H SER 59 HN SER 59 -21.890 5.579 -0.704 510 HA SER 59 HA SER 59 -22.647 3.550 -2.736 511 HB2 SER 59 HB2 SER 59 -23.337 6.497 -2.728 512 HB3 SER 59 HB3 SER 59 -24.078 5.215 -3.682 513 HG SER 59 HG SER 59 -24.944 4.381 -1.703 514 H LYS 60 HN LYS 60 -19.820 4.727 -2.105 515 HA LYS 60 HA LYS 60 -19.184 5.540 -4.892 516 HB2 LYS 60 HB2 LYS 60 -19.209 7.440 -3.374 517 HB3 LYS 60 HB3 LYS 60 -18.174 6.618 -2.215 518 HG2 LYS 60 HG2 LYS 60 -16.275 7.014 -3.403 519 HG3 LYS 60 HG3 LYS 60 -17.062 6.954 -4.953 520 HD2 LYS 60 HD2 LYS 60 -16.292 9.194 -4.613 521 HD3 LYS 60 HD3 LYS 60 -18.058 9.218 -4.523 522 HE2 LYS 60 HE2 LYS 60 -17.904 9.213 -2.019 523 HE3 LYS 60 HE3 LYS 60 -16.137 9.154 -2.151 524 HZ1 LYS 60 HZ1 LYS 60 -16.256 11.312 -3.312 525 HZ2 LYS 60 HZ2 LYS 60 -16.690 11.350 -1.771 526 HZ3 LYS 60 HZ3 LYS 60 -17.867 11.418 -2.943 527 H GLU 61 HN GLU 61 -16.996 4.975 -5.539 528 HA GLU 61 HA GLU 61 -15.358 3.297 -3.801 529 HB2 GLU 61 HB2 GLU 61 -16.044 2.492 -6.622 530 HB3 GLU 61 HB3 GLU 61 -14.487 2.099 -5.914 531 HG2 GLU 61 HG2 GLU 61 -15.388 0.797 -4.199 532 HG3 GLU 61 HG3 GLU 61 -16.972 1.470 -4.379 533 H PHE 62 HN PHE 62 -13.202 3.981 -3.974 534 HA PHE 62 HA PHE 62 -12.344 5.706 -6.159 535 HB2 PHE 62 HB2 PHE 62 -11.401 7.439 -4.692 536 HB3 PHE 62 HB3 PHE 62 -13.146 7.441 -4.715 537 HD1 PHE 62 HD2 PHE 62 -14.396 6.490 -2.771 538 HD2 PHE 62 HD1 PHE 62 -10.204 7.291 -2.574 539 HE1 PHE 62 HE2 PHE 62 -14.560 6.409 -0.253 540 HE2 PHE 62 HE1 PHE 62 -10.318 7.281 -0.099 541 HZ PHE 62 HZ PHE 62 -12.458 6.810 1.065 542 H GLY 63 HN GLY 63 -10.075 5.543 -6.458 543 HA2 GLY 63 HA1 GLY 63 -8.808 3.271 -5.063 544 HA3 GLY 63 HA2 GLY 63 -8.277 4.075 -6.539 545 H VAL 64 HN VAL 64 -6.945 3.473 -3.820 546 HA VAL 64 HA VAL 64 -5.623 6.163 -3.745 547 HB VAL 64 HB VAL 64 -5.279 5.914 -1.364 548 HG11 VAL 64 HG11 VAL 64 -7.374 6.982 -2.315 549 HG12 VAL 64 HG12 VAL 64 -8.236 5.497 -1.926 550 HG13 VAL 64 HG13 VAL 64 -7.471 6.457 -0.631 551 HG21 VAL 64 HG21 VAL 64 -6.388 4.225 -0.023 552 HG22 VAL 64 HG22 VAL 64 -6.950 3.392 -1.498 553 HG23 VAL 64 HG23 VAL 64 -5.215 3.485 -1.119 554 H PHE 65 HN PHE 65 -3.396 6.147 -2.927 555 HA PHE 65 HA PHE 65 -1.967 3.578 -3.453 556 HB2 PHE 65 HB2 PHE 65 -1.072 6.272 -4.528 557 HB3 PHE 65 HB3 PHE 65 -0.158 4.802 -4.604 558 HD1 PHE 65 HD2 PHE 65 -3.173 6.560 -5.812 559 HD2 PHE 65 HD1 PHE 65 -0.555 3.203 -6.393 560 HE1 PHE 65 HE2 PHE 65 -4.171 6.192 -8.055 561 HE2 PHE 65 HE1 PHE 65 -1.555 2.824 -8.642 562 HZ PHE 65 HZ PHE 65 -3.363 4.306 -9.472 563 H VAL 66 HN VAL 66 0.367 3.721 -2.618 564 HA VAL 66 HA VAL 66 0.494 5.372 -0.125 565 HB VAL 66 HB VAL 66 1.302 2.440 -0.264 566 HG11 VAL 66 HG11 VAL 66 0.881 4.406 2.033 567 HG12 VAL 66 HG12 VAL 66 1.211 2.684 2.243 568 HG13 VAL 66 HG13 VAL 66 2.423 3.725 1.506 569 HG21 VAL 66 HG21 VAL 66 -1.055 2.369 -0.574 570 HG22 VAL 66 HG22 VAL 66 -0.754 1.998 1.128 571 HG23 VAL 66 HG23 VAL 66 -1.347 3.600 0.659 572 H THR 67 HN THR 67 2.555 6.095 0.444 573 HA THR 67 HA THR 67 4.788 5.578 -1.437 574 HB THR 67 HB THR 67 4.562 7.631 0.791 575 HG1 THR 67 HG1 THR 67 4.321 9.115 -0.914 576 HG21 THR 67 HG21 THR 67 6.890 7.016 0.217 577 HG22 THR 67 HG22 THR 67 6.529 8.653 -0.317 578 HG23 THR 67 HG23 THR 67 6.556 7.332 -1.500 579 H ILE 68 HN ILE 68 6.230 4.014 -0.713 580 HA ILE 68 HA ILE 68 6.882 3.910 2.156 581 HB ILE 68 HB ILE 68 6.427 1.440 0.426 582 HG12 ILE 68 HG12 ILE 68 4.827 2.530 2.793 583 HG13 ILE 68 HG13 ILE 68 4.267 2.318 1.129 584 HG21 ILE 68 HG21 ILE 68 8.349 1.340 2.113 585 HG22 ILE 68 HG22 ILE 68 7.142 1.612 3.392 586 HG23 ILE 68 HG23 ILE 68 7.090 0.154 2.385 587 HD11 ILE 68 HD11 ILE 68 4.496 -0.153 1.378 588 HD12 ILE 68 HD12 ILE 68 4.894 0.095 3.101 589 HD13 ILE 68 HD13 ILE 68 3.319 0.593 2.482 590 H SER 69 HN SER 69 9.016 4.479 2.131 591 HA SER 69 HA SER 69 10.775 3.503 -0.052 592 HB2 SER 69 HB2 SER 69 11.155 6.138 1.432 593 HB3 SER 69 HB3 SER 69 12.076 5.527 0.047 594 HG SER 69 HG SER 69 9.298 6.095 0.007 595 H PHE 70 HN PHE 70 12.567 2.449 0.754 596 HA PHE 70 HA PHE 70 13.262 2.668 3.572 597 HB2 PHE 70 HB2 PHE 70 13.227 0.243 3.926 598 HB3 PHE 70 HB3 PHE 70 11.637 0.888 3.720 599 HD1 PHE 70 HD2 PHE 70 10.701 0.690 1.169 600 HD2 PHE 70 HD1 PHE 70 14.019 -1.603 2.707 601 HE1 PHE 70 HE2 PHE 70 10.575 -0.803 -0.773 602 HE2 PHE 70 HE1 PHE 70 13.731 -3.234 0.829 603 HZ PHE 70 HZ PHE 70 12.034 -2.839 -0.899 604 H ASP 71 HN ASP 71 15.176 1.222 3.924 605 HA ASP 71 HA ASP 71 17.163 1.851 1.825 606 HB2 ASP 71 HB2 ASP 71 17.018 2.181 4.581 607 HB3 ASP 71 HB3 ASP 71 17.952 0.690 4.457 608 HA PRO 72 HA PRO 72 17.210 -2.548 1.049 609 HB2 PRO 72 HB2 PRO 72 19.481 -2.994 -0.282 610 HB3 PRO 72 HB3 PRO 72 17.934 -2.418 -0.951 611 HG2 PRO 72 HG2 PRO 72 20.407 -0.783 -0.269 612 HG3 PRO 72 HG3 PRO 72 19.226 -0.532 -1.599 613 HD2 PRO 72 HD2 PRO 72 19.247 0.919 0.783 614 HD3 PRO 72 HD3 PRO 72 17.806 0.680 -0.247 615 H TYR 73 HN TYR 73 19.890 -0.916 2.597 616 HA TYR 73 HA TYR 73 21.664 -2.872 3.290 617 HB2 TYR 73 HB2 TYR 73 20.764 -0.397 4.748 618 HB3 TYR 73 HB3 TYR 73 21.909 -1.486 5.509 619 HD1 TYR 73 HD2 TYR 73 21.423 0.714 2.487 620 HD2 TYR 73 HD1 TYR 73 24.205 -1.580 4.882 621 HE1 TYR 73 HE2 TYR 73 23.276 1.636 1.196 622 HE2 TYR 73 HE1 TYR 73 26.084 -0.609 3.605 623 HH TYR 73 HH TYR 73 26.594 0.414 1.506 624 H SER 74 HN SER 74 18.890 -1.994 5.469 625 HA SER 74 HA SER 74 18.658 -4.816 6.289 626 HB2 SER 74 HB2 SER 74 20.387 -3.035 7.640 627 HB3 SER 74 HB3 SER 74 18.942 -3.084 8.651 628 HG SER 74 HG SER 74 20.747 -4.758 8.836 629 H GLN 75 HN GLN 75 16.951 -2.765 4.921 630 HA GLN 75 HA GLN 75 14.859 -1.909 4.918 631 HB2 GLN 75 HB2 GLN 75 14.387 -4.279 6.785 632 HB3 GLN 75 HB3 GLN 75 13.139 -3.112 6.452 633 HG2 GLN 75 HG2 GLN 75 12.512 -4.477 4.868 634 HG3 GLN 75 HG3 GLN 75 13.718 -3.668 3.896 635 HE21 GLN 75 HE21 GLN 75 15.156 -4.928 3.013 636 HE22 GLN 75 HE22 GLN 75 15.867 -6.333 3.596 637 H LYS 76 HN LYS 76 16.355 -0.029 5.961 638 HA LYS 76 HA LYS 76 15.016 0.749 8.500 639 HB2 LYS 76 HB2 LYS 76 17.245 1.938 6.838 640 HB3 LYS 76 HB3 LYS 76 16.120 2.986 7.697 641 HG2 LYS 76 HG2 LYS 76 16.670 1.398 9.778 642 HG3 LYS 76 HG3 LYS 76 18.135 1.059 8.833 643 HD2 LYS 76 HD2 LYS 76 18.472 3.537 8.612 644 HD3 LYS 76 HD3 LYS 76 17.062 3.777 9.672 645 HE2 LYS 76 HE2 LYS 76 18.224 2.666 11.526 646 HE3 LYS 76 HE3 LYS 76 19.561 2.198 10.456 647 HZ1 LYS 76 HZ1 LYS 76 18.847 5.006 11.049 648 HZ2 LYS 76 HZ2 LYS 76 20.137 4.509 10.208 649 HZ3 LYS 76 HZ3 LYS 76 20.039 4.196 11.821 650 H VAL 77 HN VAL 77 13.088 1.680 8.305 651 HA VAL 77 HA VAL 77 11.798 2.423 5.844 652 HB VAL 77 HB VAL 77 11.502 3.497 8.658 653 HG11 VAL 77 HG11 VAL 77 10.414 5.009 7.106 654 HG12 VAL 77 HG12 VAL 77 9.581 3.665 6.315 655 HG13 VAL 77 HG13 VAL 77 9.177 4.100 7.989 656 HG21 VAL 77 HG21 VAL 77 11.188 1.148 8.769 657 HG22 VAL 77 HG22 VAL 77 9.600 1.920 8.873 658 HG23 VAL 77 HG23 VAL 77 10.106 1.176 7.344 659 H ASN 78 HN ASN 78 12.331 4.096 4.566 660 HA ASN 78 HA ASN 78 14.155 6.221 5.571 661 HB2 ASN 78 HB2 ASN 78 13.433 5.361 2.741 662 HB3 ASN 78 HB3 ASN 78 14.072 6.957 3.122 663 HD21 ASN 78 HD21 ASN 78 15.275 4.137 1.892 664 HD22 ASN 78 HD22 ASN 78 16.811 4.136 2.727 665 H LYS 79 HN LYS 79 10.917 5.672 3.942 666 HA LYS 79 HA LYS 79 9.787 7.727 5.626 667 HB2 LYS 79 HB2 LYS 79 9.325 9.390 4.116 668 HB3 LYS 79 HB3 LYS 79 10.917 8.870 3.559 669 HG2 LYS 79 HG2 LYS 79 9.376 7.304 1.977 670 HG3 LYS 79 HG3 LYS 79 8.227 8.608 2.250 671 HD2 LYS 79 HD2 LYS 79 11.053 8.849 1.136 672 HD3 LYS 79 HD3 LYS 79 9.563 8.875 0.196 673 HE2 LYS 79 HE2 LYS 79 9.938 11.110 0.304 674 HE3 LYS 79 HE3 LYS 79 8.917 10.912 1.731 675 HZ1 LYS 79 HZ1 LYS 79 10.772 12.270 2.196 676 HZ2 LYS 79 HZ2 LYS 79 11.864 11.149 1.686 677 HZ3 LYS 79 HZ3 LYS 79 10.953 10.902 3.066 678 H ILE 80 HN ILE 80 7.392 7.821 5.411 679 HA ILE 80 HA ILE 80 6.142 5.936 3.565 680 HB ILE 80 HB ILE 80 5.564 6.046 6.560 681 HG12 ILE 80 HG12 ILE 80 6.499 3.745 4.773 682 HG13 ILE 80 HG13 ILE 80 7.499 4.627 5.926 683 HG21 ILE 80 HG21 ILE 80 4.049 4.520 4.384 684 HG22 ILE 80 HG22 ILE 80 3.754 4.398 6.133 685 HG23 ILE 80 HG23 ILE 80 3.429 5.902 5.317 686 HD11 ILE 80 HD11 ILE 80 5.203 2.810 6.643 687 HD12 ILE 80 HD12 ILE 80 6.931 2.547 6.908 688 HD13 ILE 80 HD13 ILE 80 6.090 3.837 7.797 689 H ALA 81 HN ALA 81 4.028 6.751 2.933 690 HA ALA 81 HA ALA 81 2.706 8.829 4.286 691 HB1 ALA 81 HB1 ALA 81 3.805 9.644 1.559 692 HB2 ALA 81 HB2 ALA 81 2.727 10.592 2.603 693 HB3 ALA 81 HB3 ALA 81 4.386 10.285 3.110 694 H ILE 82 HN ILE 82 0.778 9.568 2.563 695 HA ILE 82 HA ILE 82 -0.182 7.117 1.152 696 HB ILE 82 HB ILE 82 -1.626 8.858 3.150 697 HG12 ILE 82 HG12 ILE 82 -0.239 6.814 3.904 698 HG13 ILE 82 HG13 ILE 82 -1.891 6.953 4.441 699 HG21 ILE 82 HG21 ILE 82 -3.624 7.315 2.575 700 HG22 ILE 82 HG22 ILE 82 -3.281 8.645 1.456 701 HG23 ILE 82 HG23 ILE 82 -2.810 6.984 1.066 702 HD11 ILE 82 HD11 ILE 82 -0.893 4.672 3.473 703 HD12 ILE 82 HD12 ILE 82 -2.606 5.094 3.315 704 HD13 ILE 82 HD13 ILE 82 -1.462 5.343 1.962 705 H LEU 83 HN LEU 83 -1.593 7.582 -0.658 706 HA LEU 83 HA LEU 83 -1.750 10.376 -1.635 707 HB2 LEU 83 HB2 LEU 83 0.090 9.053 -2.765 708 HB3 LEU 83 HB3 LEU 83 -1.049 7.832 -3.156 709 HG LEU 83 HG LEU 83 -0.304 9.418 -4.958 710 HD11 LEU 83 HD11 LEU 83 -2.906 8.286 -4.566 711 HD12 LEU 83 HD12 LEU 83 -1.986 8.560 -6.054 712 HD13 LEU 83 HD13 LEU 83 -3.057 9.808 -5.443 713 HD21 LEU 83 HD21 LEU 83 -2.189 11.426 -3.660 714 HD22 LEU 83 HD22 LEU 83 -1.384 11.578 -5.211 715 HD23 LEU 83 HD23 LEU 83 -0.418 11.538 -3.722 716 H GLU 84 HN GLU 84 -3.772 10.665 -2.922 717 HA GLU 84 HA GLU 84 -5.654 8.406 -2.891 718 HB2 GLU 84 HB2 GLU 84 -5.911 10.054 -0.892 719 HB3 GLU 84 HB3 GLU 84 -6.378 11.222 -2.127 720 HG2 GLU 84 HG2 GLU 84 -8.109 9.179 -2.728 721 HG3 GLU 84 HG3 GLU 84 -7.823 8.830 -1.030 722 H GLU 85 HN GLU 85 -6.977 8.496 -4.664 723 HA GLU 85 HA GLU 85 -6.287 10.078 -7.000 724 HB2 GLU 85 HB2 GLU 85 -7.180 7.786 -7.065 725 HB3 GLU 85 HB3 GLU 85 -8.671 8.323 -6.279 726 HG2 GLU 85 HG2 GLU 85 -8.988 7.965 -8.650 727 HG3 GLU 85 HG3 GLU 85 -9.292 9.636 -8.205 728 H TYR 86 HN TYR 86 -7.663 11.697 -8.089 729 HA TYR 86 HA TYR 86 -10.147 12.449 -7.085 730 HB2 TYR 86 HB2 TYR 86 -9.688 14.862 -6.626 731 HB3 TYR 86 HB3 TYR 86 -8.965 13.801 -5.443 732 HD1 TYR 86 HD1 TYR 86 -6.458 13.407 -5.425 733 HD2 TYR 86 HD2 TYR 86 -8.302 16.306 -8.036 734 HE1 TYR 86 HE1 TYR 86 -4.250 14.369 -5.890 735 HE2 TYR 86 HE2 TYR 86 -6.082 17.292 -8.506 736 HH TYR 86 HH TYR 86 -3.047 15.926 -7.094 737 H GLN 87 HN GLN 87 -11.347 13.552 -8.673 738 HA GLN 87 HA GLN 87 -10.158 14.361 -11.164 739 HB2 GLN 87 HB2 GLN 87 -11.097 12.546 -12.484 740 HB3 GLN 87 HB3 GLN 87 -9.954 11.929 -11.304 741 HG2 GLN 87 HG2 GLN 87 -12.112 11.539 -9.810 742 HG3 GLN 87 HG3 GLN 87 -12.964 11.651 -11.349 743 HE21 GLN 87 HE21 GLN 87 -10.641 9.857 -9.439 744 HE22 GLN 87 HE22 GLN 87 -10.356 8.534 -10.530 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 -17.091 -8.203 1.923 2 HA2 GLY 1 HA1 GLY 1 -18.084 -10.435 1.656 3 HA3 GLY 1 HA2 GLY 1 -17.956 -10.171 -0.103 4 H GLU 2 HN GLU 2 -15.851 -10.064 -1.067 5 HA GLU 2 HA GLU 2 -13.831 -11.715 0.114 6 HB2 GLU 2 HB2 GLU 2 -14.392 -10.431 -2.444 7 HB3 GLU 2 HB3 GLU 2 -12.733 -10.098 -1.978 8 HG2 GLU 2 HG2 GLU 2 -12.265 -12.480 -1.711 9 HG3 GLU 2 HG3 GLU 2 -13.976 -12.884 -1.951 10 H GLU 3 HN GLU 3 -11.503 -10.860 0.226 11 HA GLU 3 HA GLU 3 -11.339 -8.273 1.725 12 HB2 GLU 3 HB2 GLU 3 -10.600 -11.082 2.633 13 HB3 GLU 3 HB3 GLU 3 -9.780 -9.671 3.269 14 HG2 GLU 3 HG2 GLU 3 -11.935 -8.744 4.063 15 HG3 GLU 3 HG3 GLU 3 -12.757 -10.222 3.511 16 H THR 4 HN THR 4 -9.805 -10.583 -0.480 17 HA THR 4 HA THR 4 -7.702 -8.753 -1.002 18 HB THR 4 HB THR 4 -6.139 -11.038 -0.664 19 HG1 THR 4 HG1 THR 4 -7.523 -12.106 0.639 20 HG21 THR 4 HG21 THR 4 -5.511 -8.692 -0.110 21 HG22 THR 4 HG22 THR 4 -5.014 -9.873 1.116 22 HG23 THR 4 HG23 THR 4 -6.440 -8.845 1.392 23 HA PRO 5 HA PRO 5 -8.035 -10.832 -4.910 24 HB2 PRO 5 HB2 PRO 5 -5.630 -10.446 -6.110 25 HB3 PRO 5 HB3 PRO 5 -6.822 -9.166 -5.750 26 HG2 PRO 5 HG2 PRO 5 -4.382 -9.936 -4.140 27 HG3 PRO 5 HG3 PRO 5 -4.895 -8.304 -4.662 28 HD2 PRO 5 HD2 PRO 5 -5.475 -9.273 -2.191 29 HD3 PRO 5 HD3 PRO 5 -6.606 -8.201 -3.064 30 H LEU 6 HN LEU 6 -6.679 -12.542 -2.458 31 HA LEU 6 HA LEU 6 -5.635 -14.758 -4.128 32 HB2 LEU 6 HB2 LEU 6 -3.928 -15.125 -2.433 33 HB3 LEU 6 HB3 LEU 6 -3.656 -13.742 -3.450 34 HG LEU 6 HG LEU 6 -5.063 -13.138 -0.869 35 HD11 LEU 6 HD11 LEU 6 -3.551 -14.843 -0.071 36 HD12 LEU 6 HD12 LEU 6 -3.004 -13.249 0.481 37 HD13 LEU 6 HD13 LEU 6 -2.168 -14.048 -0.871 38 HD21 LEU 6 HD21 LEU 6 -2.627 -11.895 -2.210 39 HD22 LEU 6 HD22 LEU 6 -3.519 -11.230 -0.829 40 HD23 LEU 6 HD23 LEU 6 -4.306 -11.368 -2.408 41 H VAL 7 HN VAL 7 -8.038 -15.269 -3.649 42 HA VAL 7 HA VAL 7 -8.715 -16.058 -0.973 43 HB VAL 7 HB VAL 7 -10.022 -16.917 -3.577 44 HG11 VAL 7 HG11 VAL 7 -11.036 -16.830 -0.701 45 HG12 VAL 7 HG12 VAL 7 -12.091 -17.027 -2.138 46 HG13 VAL 7 HG13 VAL 7 -10.901 -18.255 -1.745 47 HG21 VAL 7 HG21 VAL 7 -11.585 -14.973 -3.013 48 HG22 VAL 7 HG22 VAL 7 -10.384 -14.445 -1.823 49 HG23 VAL 7 HG23 VAL 7 -9.979 -14.514 -3.552 50 H THR 8 HN THR 8 -6.406 -17.440 -2.887 51 HA THR 8 HA THR 8 -6.196 -19.565 -0.948 52 HB THR 8 HB THR 8 -6.340 -20.166 -3.927 53 HG1 THR 8 HG1 THR 8 -8.172 -20.382 -2.459 54 HG21 THR 8 HG21 THR 8 -5.469 -22.427 -3.439 55 HG22 THR 8 HG22 THR 8 -5.078 -21.919 -1.779 56 HG23 THR 8 HG23 THR 8 -4.248 -21.178 -3.156 57 H ALA 9 HN ALA 9 -4.365 -18.674 -0.088 58 HA ALA 9 HA ALA 9 -2.039 -19.448 -1.219 59 HB1 ALA 9 HB1 ALA 9 -0.766 -17.289 -1.360 60 HB2 ALA 9 HB2 ALA 9 -1.975 -17.462 -2.632 61 HB3 ALA 9 HB3 ALA 9 -2.303 -16.419 -1.227 62 H ARG 10 HN ARG 10 -0.189 -18.389 0.391 63 HA ARG 10 HA ARG 10 -1.343 -17.689 3.006 64 HB2 ARG 10 HB2 ARG 10 0.949 -19.691 2.798 65 HB3 ARG 10 HB3 ARG 10 0.145 -19.102 4.236 66 HG2 ARG 10 HG2 ARG 10 -0.791 -21.150 4.114 67 HG3 ARG 10 HG3 ARG 10 -2.012 -20.254 3.212 68 HD2 ARG 10 HD2 ARG 10 -0.981 -21.009 1.080 69 HD3 ARG 10 HD3 ARG 10 0.353 -21.739 1.985 70 HE ARG 10 HE ARG 10 -2.337 -22.726 2.640 71 HH11 ARG 10 HH11 ARG 10 0.582 -23.281 0.646 72 HH12 ARG 10 HH12 ARG 10 0.089 -24.852 0.148 73 HH21 ARG 10 HH21 ARG 10 -2.872 -24.765 2.169 74 HH22 ARG 10 HH22 ARG 10 -1.931 -25.807 1.132 75 H HIS 11 HN HIS 11 0.251 -16.609 4.322 76 HA HIS 11 HA HIS 11 1.896 -15.244 4.838 77 HB2 HIS 11 HB2 HIS 11 3.230 -17.216 3.317 78 HB3 HIS 11 HB3 HIS 11 3.816 -15.698 2.676 79 HD1 HIS 11 HD1 HIS 11 4.116 -18.004 5.607 80 HD2 HIS 11 HD2 HIS 11 5.144 -14.049 4.524 81 HE1 HIS 11 HE1 HIS 11 5.856 -17.217 7.296 82 H MET 12 HN MET 12 3.329 -13.395 3.968 83 HA MET 12 HA MET 12 1.962 -11.857 1.863 84 HB2 MET 12 HB2 MET 12 2.301 -11.297 4.828 85 HB3 MET 12 HB3 MET 12 2.254 -9.961 3.701 86 HG2 MET 12 HG2 MET 12 0.123 -12.056 3.627 87 HG3 MET 12 HG3 MET 12 0.056 -10.740 4.795 88 HE1 MET 12 HE1 MET 12 -0.517 -8.526 4.507 89 HE2 MET 12 HE2 MET 12 -1.349 -7.808 3.119 90 HE3 MET 12 HE3 MET 12 -2.119 -9.131 4.051 91 H SER 13 HN SER 13 3.233 -9.686 1.886 92 HA SER 13 HA SER 13 5.923 -10.165 0.900 93 HB2 SER 13 HB2 SER 13 4.180 -8.681 -0.176 94 HB3 SER 13 HB3 SER 13 4.382 -7.563 1.169 95 HG SER 13 HG SER 13 6.125 -8.183 -0.939 96 H LYS 14 HN LYS 14 6.830 -7.548 1.724 97 HA LYS 14 HA LYS 14 7.578 -8.012 4.589 98 HB2 LYS 14 HB2 LYS 14 9.504 -7.873 3.026 99 HB3 LYS 14 HB3 LYS 14 8.890 -6.333 2.423 100 HG2 LYS 14 HG2 LYS 14 10.694 -5.863 3.803 101 HG3 LYS 14 HG3 LYS 14 9.302 -5.281 4.651 102 HD2 LYS 14 HD2 LYS 14 10.434 -8.035 5.289 103 HD3 LYS 14 HD3 LYS 14 11.178 -6.567 5.945 104 HE2 LYS 14 HE2 LYS 14 9.018 -5.879 6.932 105 HE3 LYS 14 HE3 LYS 14 8.250 -7.346 6.354 106 HZ1 LYS 14 HZ1 LYS 14 9.858 -8.604 7.739 107 HZ2 LYS 14 HZ2 LYS 14 8.866 -7.610 8.579 108 HZ3 LYS 14 HZ3 LYS 14 10.433 -7.155 8.320 109 H TRP 15 HN TRP 15 6.360 -5.588 2.288 110 HA TRP 15 HA TRP 15 6.091 -3.580 4.458 111 HB2 TRP 15 HB2 TRP 15 6.260 -3.274 1.438 112 HB3 TRP 15 HB3 TRP 15 6.177 -1.956 2.598 113 HD1 TRP 15 HD1 TRP 15 8.641 -4.022 0.811 114 HE1 TRP 15 HE1 TRP 15 11.013 -3.720 1.740 115 HE3 TRP 15 HE3 TRP 15 7.429 -1.578 5.125 116 HZ2 TRP 15 HZ2 TRP 15 12.200 -2.407 4.104 117 HZ3 TRP 15 HZ3 TRP 15 9.179 -0.972 6.760 118 HH2 TRP 15 HH2 TRP 15 11.576 -1.412 6.237 119 H GLU 16 HN GLU 16 4.057 -5.673 3.081 120 HA GLU 16 HA GLU 16 2.043 -4.014 1.930 121 HB2 GLU 16 HB2 GLU 16 0.932 -6.085 1.463 122 HB3 GLU 16 HB3 GLU 16 2.650 -6.313 1.191 123 HG2 GLU 16 HG2 GLU 16 0.890 -7.332 3.382 124 HG3 GLU 16 HG3 GLU 16 1.846 -8.257 2.208 125 H GLU 17 HN GLU 17 2.174 -5.757 5.186 126 HA GLU 17 HA GLU 17 -0.413 -4.947 5.983 127 HB2 GLU 17 HB2 GLU 17 1.949 -6.300 7.085 128 HB3 GLU 17 HB3 GLU 17 1.275 -5.177 8.261 129 HG2 GLU 17 HG2 GLU 17 -0.580 -7.025 6.745 130 HG3 GLU 17 HG3 GLU 17 0.423 -7.639 8.038 131 H ILE 18 HN ILE 18 2.847 -3.564 6.371 132 HA ILE 18 HA ILE 18 2.228 -1.243 7.913 133 HB ILE 18 HB ILE 18 4.366 -1.710 5.803 134 HG12 ILE 18 HG12 ILE 18 4.748 -1.718 8.824 135 HG13 ILE 18 HG13 ILE 18 4.220 -3.171 8.015 136 HG21 ILE 18 HG21 ILE 18 5.610 0.154 6.867 137 HG22 ILE 18 HG22 ILE 18 4.086 0.723 6.198 138 HG23 ILE 18 HG23 ILE 18 4.227 0.469 7.944 139 HD11 ILE 18 HD11 ILE 18 6.829 -1.732 7.424 140 HD12 ILE 18 HD12 ILE 18 6.619 -3.245 8.320 141 HD13 ILE 18 HD13 ILE 18 6.249 -3.204 6.601 142 H ALA 19 HN ALA 19 2.158 -1.688 4.339 143 HA ALA 19 HA ALA 19 1.183 0.925 3.844 144 HB1 ALA 19 HB1 ALA 19 0.443 -0.007 1.657 145 HB2 ALA 19 HB2 ALA 19 2.096 -0.503 2.080 146 HB3 ALA 19 HB3 ALA 19 0.749 -1.646 2.253 147 H VAL 20 HN VAL 20 -0.543 -2.093 4.701 148 HA VAL 20 HA VAL 20 -3.120 -1.051 3.859 149 HB VAL 20 HB VAL 20 -2.211 -3.521 5.388 150 HG11 VAL 20 HG11 VAL 20 -4.344 -3.187 6.320 151 HG12 VAL 20 HG12 VAL 20 -5.036 -2.630 4.792 152 HG13 VAL 20 HG13 VAL 20 -4.628 -4.331 4.997 153 HG21 VAL 20 HG21 VAL 20 -2.010 -3.120 2.765 154 HG22 VAL 20 HG22 VAL 20 -2.513 -4.684 3.420 155 HG23 VAL 20 HG23 VAL 20 -3.720 -3.552 2.774 156 H LYS 21 HN LYS 21 -1.345 -1.215 7.014 157 HA LYS 21 HA LYS 21 -3.607 -0.315 8.488 158 HB2 LYS 21 HB2 LYS 21 -2.020 0.289 10.282 159 HB3 LYS 21 HB3 LYS 21 -2.068 -1.391 9.749 160 HG2 LYS 21 HG2 LYS 21 -0.107 -0.865 8.253 161 HG3 LYS 21 HG3 LYS 21 0.007 0.684 8.945 162 HD2 LYS 21 HD2 LYS 21 1.577 -0.718 10.081 163 HD3 LYS 21 HD3 LYS 21 0.217 -0.607 11.226 164 HE2 LYS 21 HE2 LYS 21 -0.660 -2.795 10.256 165 HE3 LYS 21 HE3 LYS 21 0.778 -2.856 9.229 166 HZ1 LYS 21 HZ1 LYS 21 2.064 -2.813 11.349 167 HZ2 LYS 21 HZ2 LYS 21 1.190 -4.188 11.102 168 HZ3 LYS 21 HZ3 LYS 21 0.659 -3.059 12.167 169 H GLU 22 HN GLU 22 -1.000 1.536 6.824 170 HA GLU 22 HA GLU 22 -1.913 4.069 7.789 171 HB2 GLU 22 HB2 GLU 22 -0.388 3.257 5.312 172 HB3 GLU 22 HB3 GLU 22 -0.795 4.934 5.740 173 HG2 GLU 22 HG2 GLU 22 0.537 3.210 7.767 174 HG3 GLU 22 HG3 GLU 22 1.515 3.858 6.506 175 H ALA 23 HN ALA 23 -2.807 2.147 4.868 176 HA ALA 23 HA ALA 23 -4.685 4.066 3.921 177 HB1 ALA 23 HB1 ALA 23 -3.856 2.296 2.507 178 HB2 ALA 23 HB2 ALA 23 -4.572 1.054 3.564 179 HB3 ALA 23 HB3 ALA 23 -5.615 2.153 2.630 180 H LYS 24 HN LYS 24 -5.035 1.566 6.498 181 HA LYS 24 HA LYS 24 -7.950 2.081 6.533 182 HB2 LYS 24 HB2 LYS 24 -8.270 0.193 7.716 183 HB3 LYS 24 HB3 LYS 24 -6.826 -0.247 6.801 184 HG2 LYS 24 HG2 LYS 24 -5.465 0.429 8.836 185 HG3 LYS 24 HG3 LYS 24 -6.944 0.738 9.704 186 HD2 LYS 24 HD2 LYS 24 -6.219 -1.416 10.337 187 HD3 LYS 24 HD3 LYS 24 -7.592 -1.708 9.245 188 HE2 LYS 24 HE2 LYS 24 -6.247 -2.568 7.545 189 HE3 LYS 24 HE3 LYS 24 -4.867 -1.588 7.997 190 HZ1 LYS 24 HZ1 LYS 24 -5.064 -3.262 10.096 191 HZ2 LYS 24 HZ2 LYS 24 -4.092 -3.526 8.794 192 HZ3 LYS 24 HZ3 LYS 24 -5.535 -4.234 8.835 193 H LYS 25 HN LYS 25 -5.223 3.427 8.116 194 HA LYS 25 HA LYS 25 -6.900 4.295 10.367 195 HB2 LYS 25 HB2 LYS 25 -4.921 5.343 11.252 196 HB3 LYS 25 HB3 LYS 25 -4.649 3.645 10.837 197 HG2 LYS 25 HG2 LYS 25 -2.714 4.391 9.988 198 HG3 LYS 25 HG3 LYS 25 -3.716 4.819 8.640 199 HD2 LYS 25 HD2 LYS 25 -2.599 6.754 8.838 200 HD3 LYS 25 HD3 LYS 25 -3.944 7.169 9.906 201 HE2 LYS 25 HE2 LYS 25 -2.610 6.735 11.867 202 HE3 LYS 25 HE3 LYS 25 -1.403 5.858 10.921 203 HZ1 LYS 25 HZ1 LYS 25 -0.801 7.877 9.833 204 HZ2 LYS 25 HZ2 LYS 25 -0.554 7.968 11.418 205 HZ3 LYS 25 HZ3 LYS 25 -1.843 8.763 10.765 206 H ARG 26 HN ARG 26 -5.356 5.669 7.454 207 HA ARG 26 HA ARG 26 -5.829 8.388 8.343 208 HB2 ARG 26 HB2 ARG 26 -3.828 7.601 7.096 209 HB3 ARG 26 HB3 ARG 26 -4.806 7.368 5.660 210 HG2 ARG 26 HG2 ARG 26 -4.858 9.590 5.170 211 HG3 ARG 26 HG3 ARG 26 -5.044 10.088 6.860 212 HD2 ARG 26 HD2 ARG 26 -2.740 9.895 7.330 213 HD3 ARG 26 HD3 ARG 26 -2.416 9.039 5.823 214 HE ARG 26 HE ARG 26 -3.500 11.443 4.999 215 HH11 ARG 26 HH11 ARG 26 -0.603 10.422 6.834 216 HH12 ARG 26 HH12 ARG 26 0.255 11.892 6.483 217 HH21 ARG 26 HH21 ARG 26 -2.379 13.245 4.501 218 HH22 ARG 26 HH22 ARG 26 -0.744 13.543 5.045 219 H TYR 27 HN TYR 27 -8.239 6.474 7.473 220 HA TYR 27 HA TYR 27 -9.414 8.223 5.356 221 HB2 TYR 27 HB2 TYR 27 -8.879 5.225 5.224 222 HB3 TYR 27 HB3 TYR 27 -10.131 6.014 4.285 223 HD1 TYR 27 HD1 TYR 27 -6.454 5.788 4.765 224 HD2 TYR 27 HD2 TYR 27 -9.676 7.545 2.497 225 HE1 TYR 27 HE1 TYR 27 -4.836 6.488 3.018 226 HE2 TYR 27 HE2 TYR 27 -8.086 8.282 0.814 227 HH TYR 27 HH TYR 27 -5.701 8.793 0.618 228 HA PRO 28 HA PRO 28 -11.977 7.028 9.016 229 HB2 PRO 28 HB2 PRO 28 -12.923 9.530 9.703 230 HB3 PRO 28 HB3 PRO 28 -11.309 8.902 10.153 231 HG2 PRO 28 HG2 PRO 28 -12.010 10.738 7.844 232 HG3 PRO 28 HG3 PRO 28 -10.626 10.844 8.989 233 HD2 PRO 28 HD2 PRO 28 -10.323 9.836 6.554 234 HD3 PRO 28 HD3 PRO 28 -9.435 9.249 7.994 235 H LEU 29 HN LEU 29 -12.762 8.563 6.038 236 HA LEU 29 HA LEU 29 -15.682 8.165 6.395 237 HB2 LEU 29 HB2 LEU 29 -14.050 9.900 4.549 238 HB3 LEU 29 HB3 LEU 29 -15.676 9.394 4.112 239 HG LEU 29 HG LEU 29 -16.513 10.273 6.325 240 HD11 LEU 29 HD11 LEU 29 -14.527 10.384 7.624 241 HD12 LEU 29 HD12 LEU 29 -15.122 12.026 7.427 242 HD13 LEU 29 HD13 LEU 29 -13.735 11.482 6.456 243 HD21 LEU 29 HD21 LEU 29 -16.650 12.557 5.545 244 HD22 LEU 29 HD22 LEU 29 -16.766 11.470 4.175 245 HD23 LEU 29 HD23 LEU 29 -15.241 12.336 4.480 246 H ALA 30 HN ALA 30 -13.149 6.263 5.451 247 HA ALA 30 HA ALA 30 -14.827 4.840 3.515 248 HB1 ALA 30 HB1 ALA 30 -11.956 5.626 2.866 249 HB2 ALA 30 HB2 ALA 30 -13.058 4.657 1.858 250 HB3 ALA 30 HB3 ALA 30 -13.402 6.363 2.152 251 H GLN 31 HN GLN 31 -13.886 2.676 3.007 252 HA GLN 31 HA GLN 31 -12.532 1.491 5.420 253 HB2 GLN 31 HB2 GLN 31 -14.627 0.338 3.535 254 HB3 GLN 31 HB3 GLN 31 -13.846 -0.550 4.852 255 HG2 GLN 31 HG2 GLN 31 -15.601 1.934 5.160 256 HG3 GLN 31 HG3 GLN 31 -16.074 0.275 5.425 257 HE21 GLN 31 HE21 GLN 31 -14.427 2.988 6.736 258 HE22 GLN 31 HE22 GLN 31 -14.112 2.356 8.332 259 H VAL 32 HN VAL 32 -10.892 -0.073 5.071 260 HA VAL 32 HA VAL 32 -9.864 -0.193 2.309 261 HB VAL 32 HB VAL 32 -8.782 -1.121 5.019 262 HG11 VAL 32 HG11 VAL 32 -8.049 -2.810 3.349 263 HG12 VAL 32 HG12 VAL 32 -7.466 -1.516 2.289 264 HG13 VAL 32 HG13 VAL 32 -6.719 -1.783 3.859 265 HG21 VAL 32 HG21 VAL 32 -7.794 0.900 2.955 266 HG22 VAL 32 HG22 VAL 32 -8.559 1.287 4.506 267 HG23 VAL 32 HG23 VAL 32 -6.986 0.472 4.468 268 H LEU 33 HN LEU 33 -10.062 -2.214 1.169 269 HA LEU 33 HA LEU 33 -10.972 -4.686 2.413 270 HB2 LEU 33 HB2 LEU 33 -12.743 -4.752 0.472 271 HB3 LEU 33 HB3 LEU 33 -13.135 -4.123 2.029 272 HG LEU 33 HG LEU 33 -12.120 -2.098 0.088 273 HD11 LEU 33 HD11 LEU 33 -14.164 -1.907 -1.180 274 HD12 LEU 33 HD12 LEU 33 -14.827 -3.359 -0.381 275 HD13 LEU 33 HD13 LEU 33 -13.409 -3.476 -1.445 276 HD21 LEU 33 HD21 LEU 33 -13.192 -1.769 2.504 277 HD22 LEU 33 HD22 LEU 33 -14.719 -1.992 1.662 278 HD23 LEU 33 HD23 LEU 33 -13.591 -0.695 1.192 279 H PHE 34 HN PHE 34 -8.772 -3.197 0.378 280 HA PHE 34 HA PHE 34 -8.529 -5.583 -1.351 281 HB2 PHE 34 HB2 PHE 34 -9.643 -3.059 -2.126 282 HB3 PHE 34 HB3 PHE 34 -8.017 -3.062 -2.752 283 HD1 PHE 34 HD2 PHE 34 -7.303 -5.378 -4.011 284 HD2 PHE 34 HD1 PHE 34 -11.355 -4.077 -3.297 285 HE1 PHE 34 HE2 PHE 34 -8.054 -6.740 -5.919 286 HE2 PHE 34 HE1 PHE 34 -12.113 -5.476 -5.191 287 HZ PHE 34 HZ PHE 34 -10.437 -6.784 -6.535 288 H LYS 35 HN LYS 35 -6.335 -6.052 -1.814 289 HA LYS 35 HA LYS 35 -4.255 -4.157 -0.928 290 HB2 LYS 35 HB2 LYS 35 -4.034 -6.980 0.118 291 HB3 LYS 35 HB3 LYS 35 -3.293 -5.513 0.715 292 HG2 LYS 35 HG2 LYS 35 -5.441 -4.846 1.761 293 HG3 LYS 35 HG3 LYS 35 -6.233 -6.247 1.027 294 HD2 LYS 35 HD2 LYS 35 -4.566 -7.715 2.314 295 HD3 LYS 35 HD3 LYS 35 -4.200 -6.277 3.276 296 HE2 LYS 35 HE2 LYS 35 -6.432 -6.101 4.081 297 HE3 LYS 35 HE3 LYS 35 -7.079 -7.090 2.772 298 HZ1 LYS 35 HZ1 LYS 35 -5.427 -8.216 4.946 299 HZ2 LYS 35 HZ2 LYS 35 -6.231 -9.044 3.786 300 HZ3 LYS 35 HZ3 LYS 35 -7.079 -8.211 4.881 301 H GLN 36 HN GLN 36 -3.422 -4.024 -3.125 302 HA GLN 36 HA GLN 36 -2.222 -6.554 -4.067 303 HB2 GLN 36 HB2 GLN 36 -3.230 -6.633 -6.083 304 HB3 GLN 36 HB3 GLN 36 -4.568 -6.052 -5.115 305 HG2 GLN 36 HG2 GLN 36 -4.180 -3.750 -5.960 306 HG3 GLN 36 HG3 GLN 36 -2.776 -4.329 -6.841 307 HE21 GLN 36 HE21 GLN 36 -6.368 -4.481 -6.710 308 HE22 GLN 36 HE22 GLN 36 -6.511 -5.351 -8.224 309 H LYS 37 HN LYS 37 -0.635 -6.182 -5.887 310 HA LYS 37 HA LYS 37 1.010 -3.845 -5.006 311 HB2 LYS 37 HB2 LYS 37 2.853 -5.328 -4.870 312 HB3 LYS 37 HB3 LYS 37 1.515 -5.972 -3.936 313 HG2 LYS 37 HG2 LYS 37 1.594 -7.925 -5.030 314 HG3 LYS 37 HG3 LYS 37 1.347 -7.112 -6.586 315 HD2 LYS 37 HD2 LYS 37 3.798 -6.585 -6.641 316 HD3 LYS 37 HD3 LYS 37 4.015 -7.584 -5.205 317 HE2 LYS 37 HE2 LYS 37 3.333 -9.570 -6.374 318 HE3 LYS 37 HE3 LYS 37 2.730 -8.631 -7.751 319 HZ1 LYS 37 HZ1 LYS 37 4.932 -7.924 -8.232 320 HZ2 LYS 37 HZ2 LYS 37 4.922 -9.561 -8.189 321 HZ3 LYS 37 HZ3 LYS 37 5.561 -8.704 -6.925 322 H VAL 38 HN VAL 38 -0.296 -3.228 -7.218 323 HA VAL 38 HA VAL 38 0.746 -4.078 -9.680 324 HB VAL 38 HB VAL 38 -0.581 -1.368 -9.356 325 HG11 VAL 38 HG11 VAL 38 -0.973 -3.652 -11.368 326 HG12 VAL 38 HG12 VAL 38 -1.801 -2.093 -11.425 327 HG13 VAL 38 HG13 VAL 38 -0.065 -2.176 -11.704 328 HG21 VAL 38 HG21 VAL 38 -1.967 -4.031 -9.008 329 HG22 VAL 38 HG22 VAL 38 -1.921 -2.636 -7.883 330 HG23 VAL 38 HG23 VAL 38 -2.812 -2.519 -9.390 331 H TRP 39 HN TRP 39 3.151 -3.214 -8.167 332 HA TRP 39 HA TRP 39 4.288 -1.389 -10.112 333 HB2 TRP 39 HB2 TRP 39 2.992 -0.004 -8.310 334 HB3 TRP 39 HB3 TRP 39 4.272 -0.484 -7.218 335 HD1 TRP 39 HD1 TRP 39 4.024 1.151 -10.746 336 HE1 TRP 39 HE1 TRP 39 5.653 3.125 -10.849 337 HE3 TRP 39 HE3 TRP 39 6.233 0.579 -6.198 338 HZ2 TRP 39 HZ2 TRP 39 7.306 4.596 -8.956 339 HZ3 TRP 39 HZ3 TRP 39 7.768 2.310 -5.341 340 HH2 TRP 39 HH2 TRP 39 8.215 4.370 -6.642 341 H ASP 40 HN ASP 40 6.623 -1.022 -9.699 342 HA ASP 40 HA ASP 40 8.089 -2.759 -7.898 343 HB2 ASP 40 HB2 ASP 40 7.147 -4.325 -9.709 344 HB3 ASP 40 HB3 ASP 40 8.069 -3.431 -10.896 345 H ARG 41 HN ARG 41 9.518 -1.036 -7.415 346 HA ARG 41 HA ARG 41 11.161 0.050 -9.621 347 HB2 ARG 41 HB2 ARG 41 9.239 1.655 -9.090 348 HB3 ARG 41 HB3 ARG 41 9.855 1.763 -7.466 349 HG2 ARG 41 HG2 ARG 41 12.114 2.450 -8.974 350 HG3 ARG 41 HG3 ARG 41 10.810 3.012 -9.963 351 HD2 ARG 41 HD2 ARG 41 9.953 4.315 -7.976 352 HD3 ARG 41 HD3 ARG 41 11.369 3.681 -7.085 353 HE ARG 41 HE ARG 41 12.435 5.459 -7.764 354 HH11 ARG 41 HH11 ARG 41 10.165 4.763 -10.470 355 HH12 ARG 41 HH12 ARG 41 10.842 6.001 -11.483 356 HH21 ARG 41 HH21 ARG 41 13.256 7.097 -9.177 357 HH22 ARG 41 HH22 ARG 41 12.617 7.271 -10.776 358 H LYS 42 HN LYS 42 13.217 1.005 -8.679 359 HA LYS 42 HA LYS 42 13.644 0.799 -5.879 360 HB2 LYS 42 HB2 LYS 42 14.436 -1.453 -7.353 361 HB3 LYS 42 HB3 LYS 42 15.925 -0.536 -7.314 362 HG2 LYS 42 HG2 LYS 42 15.967 -0.578 -4.900 363 HG3 LYS 42 HG3 LYS 42 14.253 -1.025 -4.834 364 HD2 LYS 42 HD2 LYS 42 15.617 -2.926 -4.236 365 HD3 LYS 42 HD3 LYS 42 14.685 -3.217 -5.705 366 HE2 LYS 42 HE2 LYS 42 16.799 -2.586 -7.007 367 HE3 LYS 42 HE3 LYS 42 17.665 -2.616 -5.465 368 HZ1 LYS 42 HZ1 LYS 42 16.949 -4.924 -5.218 369 HZ2 LYS 42 HZ2 LYS 42 17.852 -4.742 -6.531 370 HZ3 LYS 42 HZ3 LYS 42 16.209 -4.878 -6.707 371 H ARG 43 HN ARG 43 16.240 1.317 -5.689 372 HA ARG 43 HA ARG 43 17.065 3.430 -7.522 373 HB2 ARG 43 HB2 ARG 43 15.963 3.919 -4.768 374 HB3 ARG 43 HB3 ARG 43 17.483 4.702 -5.132 375 HG2 ARG 43 HG2 ARG 43 15.920 5.165 -7.468 376 HG3 ARG 43 HG3 ARG 43 14.764 5.291 -6.134 377 HD2 ARG 43 HD2 ARG 43 16.217 6.902 -5.021 378 HD3 ARG 43 HD3 ARG 43 17.477 6.638 -6.233 379 HE ARG 43 HE ARG 43 16.259 7.799 -7.852 380 HH11 ARG 43 HH11 ARG 43 14.929 8.325 -4.573 381 HH12 ARG 43 HH12 ARG 43 14.021 9.701 -5.085 382 HH21 ARG 43 HH21 ARG 43 15.134 9.497 -8.444 383 HH22 ARG 43 HH22 ARG 43 14.012 10.337 -7.406 384 H LYS 44 HN LYS 44 19.259 4.287 -6.504 385 HA LYS 44 HA LYS 44 20.964 2.001 -6.767 386 HB2 LYS 44 HB2 LYS 44 21.531 4.872 -5.890 387 HB3 LYS 44 HB3 LYS 44 22.768 3.640 -6.111 388 HG2 LYS 44 HG2 LYS 44 22.847 4.891 -8.048 389 HG3 LYS 44 HG3 LYS 44 22.034 3.396 -8.514 390 HD2 LYS 44 HD2 LYS 44 19.901 4.498 -8.661 391 HD3 LYS 44 HD3 LYS 44 20.511 5.968 -7.859 392 HE2 LYS 44 HE2 LYS 44 21.917 6.533 -9.692 393 HE3 LYS 44 HE3 LYS 44 21.799 4.920 -10.382 394 HZ1 LYS 44 HZ1 LYS 44 20.504 6.252 -11.681 395 HZ2 LYS 44 HZ2 LYS 44 19.719 7.000 -10.443 396 HZ3 LYS 44 HZ3 LYS 44 19.429 5.401 -10.798 397 H ASP 45 HN ASP 45 20.244 4.149 -4.010 398 HA ASP 45 HA ASP 45 21.562 2.282 -2.130 399 HB2 ASP 45 HB2 ASP 45 21.069 5.290 -2.158 400 HB3 ASP 45 HB3 ASP 45 21.740 4.415 -0.784 401 H GLU 46 HN GLU 46 18.505 2.599 -3.138 402 HA GLU 46 HA GLU 46 17.169 2.614 -0.561 403 HB2 GLU 46 HB2 GLU 46 17.673 5.068 -1.606 404 HB3 GLU 46 HB3 GLU 46 16.186 4.709 -2.479 405 HG2 GLU 46 HG2 GLU 46 14.971 4.469 -0.416 406 HG3 GLU 46 HG3 GLU 46 16.456 4.459 0.543 407 H ALA 47 HN ALA 47 14.710 2.305 -1.021 408 HA ALA 47 HA ALA 47 14.006 1.225 -3.640 409 HB1 ALA 47 HB1 ALA 47 15.120 -0.680 -2.550 410 HB2 ALA 47 HB2 ALA 47 14.087 -0.468 -1.122 411 HB3 ALA 47 HB3 ALA 47 13.373 -0.954 -2.690 412 H VAL 48 HN VAL 48 11.665 0.498 -3.561 413 HA VAL 48 HA VAL 48 9.990 1.740 -1.521 414 HB VAL 48 HB VAL 48 8.708 2.817 -3.489 415 HG11 VAL 48 HG11 VAL 48 9.868 4.977 -3.370 416 HG12 VAL 48 HG12 VAL 48 9.577 4.259 -1.804 417 HG13 VAL 48 HG13 VAL 48 11.216 4.218 -2.503 418 HG21 VAL 48 HG21 VAL 48 10.216 1.894 -5.291 419 HG22 VAL 48 HG22 VAL 48 9.973 3.648 -5.357 420 HG23 VAL 48 HG23 VAL 48 11.496 2.993 -4.728 421 H LYS 49 HN LYS 49 8.118 0.513 -1.362 422 HA LYS 49 HA LYS 49 7.232 -1.160 -3.625 423 HB2 LYS 49 HB2 LYS 49 8.055 -2.261 -0.930 424 HB3 LYS 49 HB3 LYS 49 6.612 -2.917 -1.710 425 HG2 LYS 49 HG2 LYS 49 7.837 -3.584 -3.654 426 HG3 LYS 49 HG3 LYS 49 9.236 -2.639 -3.174 427 HD2 LYS 49 HD2 LYS 49 9.923 -4.807 -2.792 428 HD3 LYS 49 HD3 LYS 49 9.555 -4.160 -1.210 429 HE2 LYS 49 HE2 LYS 49 8.699 -6.330 -1.160 430 HE3 LYS 49 HE3 LYS 49 7.253 -5.348 -1.432 431 HZ1 LYS 49 HZ1 LYS 49 7.431 -7.342 -2.864 432 HZ2 LYS 49 HZ2 LYS 49 8.749 -6.725 -3.606 433 HZ3 LYS 49 HZ3 LYS 49 7.292 -5.968 -3.728 434 H GLN 50 HN GLN 50 5.879 0.549 -3.891 435 HA GLN 50 HA GLN 50 3.854 1.247 -1.888 436 HB2 GLN 50 HB2 GLN 50 4.474 1.979 -4.789 437 HB3 GLN 50 HB3 GLN 50 2.910 2.370 -4.079 438 HG2 GLN 50 HG2 GLN 50 3.701 4.029 -2.844 439 HG3 GLN 50 HG3 GLN 50 5.129 3.121 -2.292 440 HE21 GLN 50 HE21 GLN 50 3.874 5.446 -4.658 441 HE22 GLN 50 HE22 GLN 50 5.460 5.812 -5.347 442 H TYR 51 HN TYR 51 1.552 0.930 -2.557 443 HA TYR 51 HA TYR 51 0.992 -1.580 -4.027 444 HB2 TYR 51 HB2 TYR 51 0.028 -0.827 -1.226 445 HB3 TYR 51 HB3 TYR 51 -0.565 -2.189 -2.151 446 HD1 TYR 51 HD1 TYR 51 2.257 -0.877 -0.161 447 HD2 TYR 51 HD2 TYR 51 0.825 -4.198 -2.506 448 HE1 TYR 51 HE1 TYR 51 4.148 -2.225 0.639 449 HE2 TYR 51 HE2 TYR 51 2.676 -5.594 -1.622 450 HH TYR 51 HH TYR 51 4.651 -5.648 -0.408 451 H HIS 52 HN HIS 52 -1.348 -1.676 -4.511 452 HA HIS 52 HA HIS 52 -2.666 0.996 -4.743 453 HB2 HIS 52 HB2 HIS 52 -2.190 -0.304 -6.914 454 HB3 HIS 52 HB3 HIS 52 -3.256 -1.554 -6.314 455 HD1 HIS 52 HD1 HIS 52 -5.412 1.083 -5.267 456 HD2 HIS 52 HD2 HIS 52 -3.921 -0.193 -9.020 457 HE1 HIS 52 HE1 HIS 52 -7.028 1.890 -7.006 458 H LEU 53 HN LEU 53 -4.301 1.088 -3.210 459 HA LEU 53 HA LEU 53 -5.701 -1.451 -2.496 460 HB2 LEU 53 HB2 LEU 53 -5.361 0.962 -0.669 461 HB3 LEU 53 HB3 LEU 53 -6.356 -0.448 -0.391 462 HG LEU 53 HG LEU 53 -4.045 -1.776 -0.673 463 HD11 LEU 53 HD11 LEU 53 -3.179 0.935 0.404 464 HD12 LEU 53 HD12 LEU 53 -2.626 0.228 -1.126 465 HD13 LEU 53 HD13 LEU 53 -2.192 -0.534 0.415 466 HD21 LEU 53 HD21 LEU 53 -3.722 -1.514 1.811 467 HD22 LEU 53 HD22 LEU 53 -5.362 -1.933 1.335 468 HD23 LEU 53 HD23 LEU 53 -4.991 -0.269 1.788 469 H THR 54 HN THR 54 -8.089 -1.000 -2.207 470 HA THR 54 HA THR 54 -9.035 1.405 -3.679 471 HB THR 54 HB THR 54 -9.934 -1.432 -3.876 472 HG1 THR 54 HG1 THR 54 -9.210 0.217 -6.022 473 HG21 THR 54 HG21 THR 54 -11.240 0.984 -5.163 474 HG22 THR 54 HG22 THR 54 -11.949 -0.116 -3.960 475 HG23 THR 54 HG23 THR 54 -11.580 -0.710 -5.573 476 H LEU 55 HN LEU 55 -9.815 2.540 -2.185 477 HA LEU 55 HA LEU 55 -10.896 1.539 0.394 478 HB2 LEU 55 HB2 LEU 55 -10.153 4.208 -0.776 479 HB3 LEU 55 HB3 LEU 55 -11.407 4.216 0.432 480 HG LEU 55 HG LEU 55 -9.237 4.719 1.361 481 HD11 LEU 55 HD11 LEU 55 -9.283 3.544 3.333 482 HD12 LEU 55 HD12 LEU 55 -9.930 2.102 2.550 483 HD13 LEU 55 HD13 LEU 55 -10.960 3.535 2.763 484 HD21 LEU 55 HD21 LEU 55 -8.363 1.889 0.819 485 HD22 LEU 55 HD22 LEU 55 -7.463 3.227 1.598 486 HD23 LEU 55 HD23 LEU 55 -7.902 3.306 -0.135 487 H ARG 56 HN ARG 56 -13.042 2.061 1.075 488 HA ARG 56 HA ARG 56 -15.053 2.728 -1.055 489 HB2 ARG 56 HB2 ARG 56 -14.846 0.262 -0.534 490 HB3 ARG 56 HB3 ARG 56 -15.216 0.643 1.177 491 HG2 ARG 56 HG2 ARG 56 -17.367 1.556 0.513 492 HG3 ARG 56 HG3 ARG 56 -17.012 1.097 -1.182 493 HD2 ARG 56 HD2 ARG 56 -17.040 -1.275 -0.500 494 HD3 ARG 56 HD3 ARG 56 -17.343 -0.798 1.175 495 HE ARG 56 HE ARG 56 -19.497 -0.090 0.667 496 HH11 ARG 56 HH11 ARG 56 -18.071 -1.383 -2.355 497 HH12 ARG 56 HH12 ARG 56 -19.229 -0.582 -3.354 498 HH21 ARG 56 HH21 ARG 56 -20.991 0.964 -0.759 499 HH22 ARG 56 HH22 ARG 56 -20.982 0.485 -2.445 500 H GLU 57 HN GLU 57 -15.878 4.632 -0.555 501 HA GLU 57 HA GLU 57 -16.679 5.378 2.228 502 HB2 GLU 57 HB2 GLU 57 -15.331 7.038 1.187 503 HB3 GLU 57 HB3 GLU 57 -16.192 6.949 -0.338 504 HG2 GLU 57 HG2 GLU 57 -17.697 7.739 2.181 505 HG3 GLU 57 HG3 GLU 57 -16.588 8.879 1.457 506 H GLY 58 HN GLY 58 -18.812 4.689 2.558 507 HA2 GLY 58 HA1 GLY 58 -21.075 4.600 2.340 508 HA3 GLY 58 HA2 GLY 58 -20.901 5.974 1.276 509 H SER 59 HN SER 59 -20.958 5.643 -0.974 510 HA SER 59 HA SER 59 -21.581 2.890 -1.964 511 HB2 SER 59 HB2 SER 59 -22.694 5.474 -3.088 512 HB3 SER 59 HB3 SER 59 -23.090 3.818 -3.580 513 HG SER 59 HG SER 59 -24.679 4.260 -2.137 514 H LYS 60 HN LYS 60 -19.265 5.368 -2.158 515 HA LYS 60 HA LYS 60 -18.558 5.004 -5.005 516 HB2 LYS 60 HB2 LYS 60 -18.415 7.228 -4.235 517 HB3 LYS 60 HB3 LYS 60 -17.673 6.770 -2.697 518 HG2 LYS 60 HG2 LYS 60 -15.566 6.361 -3.702 519 HG3 LYS 60 HG3 LYS 60 -16.213 6.463 -5.321 520 HD2 LYS 60 HD2 LYS 60 -15.048 8.447 -5.027 521 HD3 LYS 60 HD3 LYS 60 -16.757 8.892 -4.891 522 HE2 LYS 60 HE2 LYS 60 -16.593 9.059 -2.484 523 HE3 LYS 60 HE3 LYS 60 -14.979 8.345 -2.482 524 HZ1 LYS 60 HZ1 LYS 60 -14.846 10.716 -2.248 525 HZ2 LYS 60 HZ2 LYS 60 -15.698 10.989 -3.604 526 HZ3 LYS 60 HZ3 LYS 60 -14.204 10.318 -3.694 527 H GLU 61 HN GLU 61 -16.342 4.339 -5.587 528 HA GLU 61 HA GLU 61 -14.700 3.175 -3.493 529 HB2 GLU 61 HB2 GLU 61 -15.636 1.708 -5.922 530 HB3 GLU 61 HB3 GLU 61 -13.935 1.547 -5.492 531 HG2 GLU 61 HG2 GLU 61 -14.316 0.411 -3.563 532 HG3 GLU 61 HG3 GLU 61 -15.753 1.323 -3.152 533 H PHE 62 HN PHE 62 -12.503 3.544 -3.866 534 HA PHE 62 HA PHE 62 -11.599 4.859 -6.293 535 HB2 PHE 62 HB2 PHE 62 -10.674 6.858 -5.228 536 HB3 PHE 62 HB3 PHE 62 -12.416 6.848 -5.164 537 HD1 PHE 62 HD1 PHE 62 -9.316 6.571 -3.093 538 HD2 PHE 62 HD2 PHE 62 -13.605 6.550 -3.045 539 HE1 PHE 62 HE1 PHE 62 -9.305 6.920 -0.643 540 HE2 PHE 62 HE2 PHE 62 -13.631 7.045 -0.665 541 HZ PHE 62 HZ PHE 62 -11.440 7.073 0.618 542 H GLY 63 HN GLY 63 -9.304 4.882 -6.406 543 HA2 GLY 63 HA1 GLY 63 -7.990 2.878 -4.755 544 HA3 GLY 63 HA2 GLY 63 -7.371 3.684 -6.198 545 H VAL 64 HN VAL 64 -6.119 3.210 -3.522 546 HA VAL 64 HA VAL 64 -4.977 5.936 -3.433 547 HB VAL 64 HB VAL 64 -4.768 5.863 -1.078 548 HG11 VAL 64 HG11 VAL 64 -7.615 4.944 -1.680 549 HG12 VAL 64 HG12 VAL 64 -7.075 5.894 -0.293 550 HG13 VAL 64 HG13 VAL 64 -6.990 6.573 -1.927 551 HG21 VAL 64 HG21 VAL 64 -5.633 4.100 0.358 552 HG22 VAL 64 HG22 VAL 64 -5.936 3.096 -1.094 553 HG23 VAL 64 HG23 VAL 64 -4.277 3.547 -0.632 554 H PHE 65 HN PHE 65 -2.783 5.992 -2.915 555 HA PHE 65 HA PHE 65 -1.298 3.446 -3.437 556 HB2 PHE 65 HB2 PHE 65 -0.760 6.154 -4.678 557 HB3 PHE 65 HB3 PHE 65 0.304 4.771 -4.791 558 HD1 PHE 65 HD1 PHE 65 -0.606 2.609 -5.851 559 HD2 PHE 65 HD2 PHE 65 -2.681 6.376 -6.066 560 HE1 PHE 65 HE1 PHE 65 -1.928 1.786 -7.802 561 HE2 PHE 65 HE2 PHE 65 -4.071 5.506 -7.940 562 HZ PHE 65 HZ PHE 65 -3.673 3.215 -8.804 563 H VAL 66 HN VAL 66 -0.898 3.134 -1.295 564 HA VAL 66 HA VAL 66 0.182 5.097 0.471 565 HB VAL 66 HB VAL 66 0.322 2.058 0.615 566 HG11 VAL 66 HG11 VAL 66 1.839 2.768 2.247 567 HG12 VAL 66 HG12 VAL 66 0.968 4.267 2.582 568 HG13 VAL 66 HG13 VAL 66 0.327 2.736 3.174 569 HG21 VAL 66 HG21 VAL 66 -1.767 3.914 1.828 570 HG22 VAL 66 HG22 VAL 66 -2.023 2.878 0.423 571 HG23 VAL 66 HG23 VAL 66 -1.665 2.155 1.984 572 H THR 67 HN THR 67 2.229 5.781 0.782 573 HA THR 67 HA THR 67 4.333 4.772 -1.025 574 HB THR 67 HB THR 67 4.211 7.402 0.463 575 HG1 THR 67 HG1 THR 67 2.455 7.293 -0.900 576 HG21 THR 67 HG21 THR 67 5.739 6.575 -2.042 577 HG22 THR 67 HG22 THR 67 6.439 6.678 -0.409 578 HG23 THR 67 HG23 THR 67 5.821 8.133 -1.192 579 H ILE 68 HN ILE 68 6.003 3.651 -0.137 580 HA ILE 68 HA ILE 68 6.833 4.223 2.626 581 HB ILE 68 HB ILE 68 6.394 1.459 1.426 582 HG12 ILE 68 HG12 ILE 68 5.131 2.622 3.945 583 HG13 ILE 68 HG13 ILE 68 4.326 2.533 2.380 584 HG21 ILE 68 HG21 ILE 68 7.608 2.250 4.127 585 HG22 ILE 68 HG22 ILE 68 7.362 0.587 3.562 586 HG23 ILE 68 HG23 ILE 68 8.527 1.612 2.749 587 HD11 ILE 68 HD11 ILE 68 3.600 0.696 3.710 588 HD12 ILE 68 HD12 ILE 68 4.561 0.072 2.358 589 HD13 ILE 68 HD13 ILE 68 5.247 0.139 4.000 590 H SER 69 HN SER 69 8.920 4.812 2.408 591 HA SER 69 HA SER 69 10.501 3.894 0.043 592 HB2 SER 69 HB2 SER 69 10.828 6.472 1.635 593 HB3 SER 69 HB3 SER 69 11.672 5.995 0.151 594 HG SER 69 HG SER 69 9.820 7.504 0.016 595 H PHE 70 HN PHE 70 12.279 2.678 0.580 596 HA PHE 70 HA PHE 70 13.061 2.498 3.399 597 HB2 PHE 70 HB2 PHE 70 12.552 0.231 3.608 598 HB3 PHE 70 HB3 PHE 70 11.109 0.972 2.961 599 HD1 PHE 70 HD2 PHE 70 10.518 0.590 0.469 600 HD2 PHE 70 HD1 PHE 70 13.706 -1.452 2.464 601 HE1 PHE 70 HE2 PHE 70 10.562 -1.153 -1.319 602 HE2 PHE 70 HE1 PHE 70 13.734 -3.197 0.690 603 HZ PHE 70 HZ PHE 70 12.129 -3.055 -1.200 604 H ASP 71 HN ASP 71 14.937 0.748 3.529 605 HA ASP 71 HA ASP 71 16.734 1.395 1.284 606 HB2 ASP 71 HB2 ASP 71 18.472 1.467 2.628 607 HB3 ASP 71 HB3 ASP 71 17.265 2.185 3.614 608 HA PRO 72 HA PRO 72 17.119 -2.911 0.189 609 HB2 PRO 72 HB2 PRO 72 19.413 -2.964 -1.250 610 HB3 PRO 72 HB3 PRO 72 17.951 -2.109 -1.842 611 HG2 PRO 72 HG2 PRO 72 20.344 -0.894 -0.432 612 HG3 PRO 72 HG3 PRO 72 19.553 -0.349 -1.938 613 HD2 PRO 72 HD2 PRO 72 18.906 0.751 0.477 614 HD3 PRO 72 HD3 PRO 72 17.678 0.484 -0.797 615 H TYR 73 HN TYR 73 19.724 -1.195 1.841 616 HA TYR 73 HA TYR 73 21.567 -3.130 2.406 617 HB2 TYR 73 HB2 TYR 73 20.731 -0.745 4.038 618 HB3 TYR 73 HB3 TYR 73 22.085 -1.755 4.451 619 HD1 TYR 73 HD1 TYR 73 20.795 0.300 1.535 620 HD2 TYR 73 HD2 TYR 73 24.168 -1.117 3.766 621 HE1 TYR 73 HE1 TYR 73 22.290 1.717 0.143 622 HE2 TYR 73 HE2 TYR 73 25.657 0.429 2.505 623 HH TYR 73 HH TYR 73 25.452 2.570 0.992 624 H SER 74 HN SER 74 18.781 -2.232 4.560 625 HA SER 74 HA SER 74 18.893 -4.892 5.851 626 HB2 SER 74 HB2 SER 74 20.425 -3.141 6.943 627 HB3 SER 74 HB3 SER 74 18.954 -2.278 7.386 628 HG SER 74 HG SER 74 19.571 -3.485 9.048 629 H GLN 75 HN GLN 75 16.994 -2.641 4.318 630 HA GLN 75 HA GLN 75 14.850 -2.252 4.113 631 HB2 GLN 75 HB2 GLN 75 14.641 -4.876 5.603 632 HB3 GLN 75 HB3 GLN 75 13.228 -3.831 5.565 633 HG2 GLN 75 HG2 GLN 75 12.974 -5.186 3.720 634 HG3 GLN 75 HG3 GLN 75 13.505 -3.661 3.071 635 HE21 GLN 75 HE21 GLN 75 15.744 -3.384 2.261 636 HE22 GLN 75 HE22 GLN 75 16.479 -4.836 1.628 637 H LYS 76 HN LYS 76 16.222 -0.516 5.411 638 HA LYS 76 HA LYS 76 14.710 0.168 7.942 639 HB2 LYS 76 HB2 LYS 76 17.222 1.067 6.624 640 HB3 LYS 76 HB3 LYS 76 16.218 2.372 7.208 641 HG2 LYS 76 HG2 LYS 76 16.569 0.042 9.009 642 HG3 LYS 76 HG3 LYS 76 17.992 1.005 8.700 643 HD2 LYS 76 HD2 LYS 76 16.974 3.024 9.495 644 HD3 LYS 76 HD3 LYS 76 15.366 2.233 9.648 645 HE2 LYS 76 HE2 LYS 76 15.969 1.092 11.567 646 HE3 LYS 76 HE3 LYS 76 17.653 0.910 11.079 647 HZ1 LYS 76 HZ1 LYS 76 18.042 3.190 11.673 648 HZ2 LYS 76 HZ2 LYS 76 17.485 2.336 12.917 649 HZ3 LYS 76 HZ3 LYS 76 16.490 3.403 12.166 650 H VAL 77 HN VAL 77 12.728 0.979 7.630 651 HA VAL 77 HA VAL 77 11.949 2.261 5.158 652 HB VAL 77 HB VAL 77 10.258 1.062 6.034 653 HG11 VAL 77 HG11 VAL 77 9.331 1.281 8.328 654 HG12 VAL 77 HG12 VAL 77 10.972 0.643 8.302 655 HG13 VAL 77 HG13 VAL 77 10.692 2.346 8.757 656 HG21 VAL 77 HG21 VAL 77 9.595 3.882 6.951 657 HG22 VAL 77 HG22 VAL 77 9.583 3.331 5.260 658 HG23 VAL 77 HG23 VAL 77 8.468 2.612 6.437 659 H ASN 78 HN ASN 78 12.608 4.141 4.639 660 HA ASN 78 HA ASN 78 13.888 6.031 6.419 661 HB2 ASN 78 HB2 ASN 78 13.109 6.225 3.494 662 HB3 ASN 78 HB3 ASN 78 14.060 7.390 4.329 663 HD21 ASN 78 HD21 ASN 78 14.289 4.512 2.465 664 HD22 ASN 78 HD22 ASN 78 15.929 4.163 2.957 665 H LYS 79 HN LYS 79 10.913 6.010 4.378 666 HA LYS 79 HA LYS 79 9.570 7.938 6.161 667 HB2 LYS 79 HB2 LYS 79 10.554 8.457 3.350 668 HB3 LYS 79 HB3 LYS 79 8.947 9.018 3.728 669 HG2 LYS 79 HG2 LYS 79 11.272 9.755 5.502 670 HG3 LYS 79 HG3 LYS 79 10.914 10.627 3.996 671 HD2 LYS 79 HD2 LYS 79 8.547 11.014 4.949 672 HD3 LYS 79 HD3 LYS 79 9.191 10.420 6.485 673 HE2 LYS 79 HE2 LYS 79 9.427 12.760 6.638 674 HE3 LYS 79 HE3 LYS 79 11.037 12.194 6.230 675 HZ1 LYS 79 HZ1 LYS 79 10.475 12.818 3.870 676 HZ2 LYS 79 HZ2 LYS 79 10.534 14.066 4.912 677 HZ3 LYS 79 HZ3 LYS 79 9.086 13.505 4.446 678 H ILE 80 HN ILE 80 7.358 8.208 5.539 679 HA ILE 80 HA ILE 80 6.127 6.226 3.777 680 HB ILE 80 HB ILE 80 5.297 6.618 6.688 681 HG12 ILE 80 HG12 ILE 80 6.414 4.163 5.251 682 HG13 ILE 80 HG13 ILE 80 7.234 5.126 6.481 683 HG21 ILE 80 HG21 ILE 80 3.961 4.828 4.601 684 HG22 ILE 80 HG22 ILE 80 3.486 5.039 6.300 685 HG23 ILE 80 HG23 ILE 80 3.307 6.373 5.193 686 HD11 ILE 80 HD11 ILE 80 5.448 4.517 8.116 687 HD12 ILE 80 HD12 ILE 80 4.837 3.340 6.918 688 HD13 ILE 80 HD13 ILE 80 6.473 3.174 7.566 689 H ALA 81 HN ALA 81 4.249 7.125 2.814 690 HA ALA 81 HA ALA 81 2.982 9.508 3.833 691 HB1 ALA 81 HB1 ALA 81 4.609 10.710 2.541 692 HB2 ALA 81 HB2 ALA 81 4.446 9.603 1.148 693 HB3 ALA 81 HB3 ALA 81 3.137 10.712 1.587 694 H ILE 82 HN ILE 82 1.118 10.041 2.085 695 HA ILE 82 HA ILE 82 -0.006 7.473 1.086 696 HB ILE 82 HB ILE 82 -1.223 9.625 2.826 697 HG12 ILE 82 HG12 ILE 82 0.027 7.841 4.009 698 HG13 ILE 82 HG13 ILE 82 -1.678 7.828 4.370 699 HG21 ILE 82 HG21 ILE 82 -2.956 9.168 1.213 700 HG22 ILE 82 HG22 ILE 82 -2.757 7.411 1.413 701 HG23 ILE 82 HG23 ILE 82 -3.371 8.412 2.740 702 HD11 ILE 82 HD11 ILE 82 -0.851 5.943 2.233 703 HD12 ILE 82 HD12 ILE 82 -0.320 5.603 3.871 704 HD13 ILE 82 HD13 ILE 82 -2.057 5.752 3.520 705 H LEU 83 HN LEU 83 -1.768 7.926 -0.628 706 HA LEU 83 HA LEU 83 -1.679 10.436 -2.019 707 HB2 LEU 83 HB2 LEU 83 0.311 9.009 -2.912 708 HB3 LEU 83 HB3 LEU 83 -0.863 7.855 -3.423 709 HG LEU 83 HG LEU 83 0.069 9.267 -5.191 710 HD11 LEU 83 HD11 LEU 83 -2.810 10.040 -5.273 711 HD12 LEU 83 HD12 LEU 83 -2.397 8.319 -5.216 712 HD13 LEU 83 HD13 LEU 83 -1.779 9.354 -6.514 713 HD21 LEU 83 HD21 LEU 83 0.307 11.386 -4.001 714 HD22 LEU 83 HD22 LEU 83 -1.460 11.588 -3.951 715 HD23 LEU 83 HD23 LEU 83 -0.606 11.587 -5.506 716 H GLU 84 HN GLU 84 -3.647 10.495 -3.279 717 HA GLU 84 HA GLU 84 -5.466 8.158 -3.090 718 HB2 GLU 84 HB2 GLU 84 -5.711 10.365 -1.418 719 HB3 GLU 84 HB3 GLU 84 -6.569 10.922 -2.852 720 HG2 GLU 84 HG2 GLU 84 -7.871 8.647 -2.678 721 HG3 GLU 84 HG3 GLU 84 -7.192 8.592 -1.074 722 H GLU 85 HN GLU 85 -6.540 7.812 -4.881 723 HA GLU 85 HA GLU 85 -5.849 9.508 -7.191 724 HB2 GLU 85 HB2 GLU 85 -6.216 7.707 -8.463 725 HB3 GLU 85 HB3 GLU 85 -5.858 6.860 -6.976 726 HG2 GLU 85 HG2 GLU 85 -8.402 6.771 -6.580 727 HG3 GLU 85 HG3 GLU 85 -8.596 7.391 -8.207 728 H TYR 86 HN TYR 86 -7.681 10.010 -8.753 729 HA TYR 86 HA TYR 86 -10.341 10.363 -7.721 730 HB2 TYR 86 HB2 TYR 86 -10.240 12.866 -8.103 731 HB3 TYR 86 HB3 TYR 86 -9.399 12.300 -6.673 732 HD1 TYR 86 HD2 TYR 86 -6.914 12.325 -6.538 733 HD2 TYR 86 HD1 TYR 86 -9.021 13.873 -9.973 734 HE1 TYR 86 HE2 TYR 86 -4.849 13.444 -7.290 735 HE2 TYR 86 HE1 TYR 86 -6.974 15.038 -10.711 736 HH TYR 86 HH TYR 86 -4.723 15.384 -10.308 737 H GLN 87 HN GLN 87 -11.536 11.694 -9.643 738 HA GLN 87 HA GLN 87 -10.259 11.079 -12.231 739 HB2 GLN 87 HB2 GLN 87 -13.066 10.173 -11.409 740 HB3 GLN 87 HB3 GLN 87 -12.500 10.303 -13.073 741 HG2 GLN 87 HG2 GLN 87 -12.169 8.076 -12.711 742 HG3 GLN 87 HG3 GLN 87 -10.565 8.722 -12.416 743 HE21 GLN 87 HE21 GLN 87 -9.679 7.442 -10.829 744 HE22 GLN 87 HE22 GLN 87 -10.481 6.916 -9.355 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 -17.057 -11.562 -5.447 2 HA2 GLY 1 HA1 GLY 1 -15.610 -11.793 -3.432 3 HA3 GLY 1 HA2 GLY 1 -15.787 -13.287 -4.375 4 H GLU 2 HN GLU 2 -13.677 -10.325 -4.276 5 HA GLU 2 HA GLU 2 -11.291 -12.010 -4.764 6 HB2 GLU 2 HB2 GLU 2 -10.709 -10.569 -6.734 7 HB3 GLU 2 HB3 GLU 2 -12.044 -11.679 -6.993 8 HG2 GLU 2 HG2 GLU 2 -13.689 -9.930 -6.884 9 HG3 GLU 2 HG3 GLU 2 -12.521 -8.768 -6.257 10 H GLU 3 HN GLU 3 -11.950 -10.720 -2.364 11 HA GLU 3 HA GLU 3 -11.037 -7.995 -2.300 12 HB2 GLU 3 HB2 GLU 3 -11.065 -8.233 0.152 13 HB3 GLU 3 HB3 GLU 3 -12.571 -8.658 -0.651 14 HG2 GLU 3 HG2 GLU 3 -12.102 -11.047 -0.352 15 HG3 GLU 3 HG3 GLU 3 -10.540 -10.661 0.408 16 H THR 4 HN THR 4 -9.261 -10.987 -2.312 17 HA THR 4 HA THR 4 -7.114 -9.389 -3.163 18 HB THR 4 HB THR 4 -5.566 -11.090 -1.598 19 HG1 THR 4 HG1 THR 4 -7.416 -11.417 -0.221 20 HG21 THR 4 HG21 THR 4 -4.719 -9.146 -0.522 21 HG22 THR 4 HG22 THR 4 -6.221 -8.244 -0.805 22 HG23 THR 4 HG23 THR 4 -5.165 -8.661 -2.164 23 HA PRO 5 HA PRO 5 -6.633 -13.207 -5.532 24 HB2 PRO 5 HB2 PRO 5 -3.997 -13.249 -6.258 25 HB3 PRO 5 HB3 PRO 5 -5.151 -12.056 -6.899 26 HG2 PRO 5 HG2 PRO 5 -3.222 -11.709 -4.599 27 HG3 PRO 5 HG3 PRO 5 -3.502 -10.624 -5.997 28 HD2 PRO 5 HD2 PRO 5 -4.672 -10.213 -3.581 29 HD3 PRO 5 HD3 PRO 5 -5.529 -9.835 -5.103 30 H LEU 6 HN LEU 6 -5.722 -13.057 -2.369 31 HA LEU 6 HA LEU 6 -4.670 -15.840 -2.337 32 HB2 LEU 6 HB2 LEU 6 -3.859 -15.398 -0.094 33 HB3 LEU 6 HB3 LEU 6 -2.911 -14.714 -1.373 34 HG LEU 6 HG LEU 6 -4.962 -12.932 -0.022 35 HD11 LEU 6 HD11 LEU 6 -3.327 -12.408 1.774 36 HD12 LEU 6 HD12 LEU 6 -2.280 -13.724 1.181 37 HD13 LEU 6 HD13 LEU 6 -3.887 -14.094 1.842 38 HD21 LEU 6 HD21 LEU 6 -3.210 -11.220 -0.400 39 HD22 LEU 6 HD22 LEU 6 -3.562 -12.050 -1.921 40 HD23 LEU 6 HD23 LEU 6 -2.105 -12.462 -0.996 41 H VAL 7 HN VAL 7 -7.067 -15.948 -2.860 42 HA VAL 7 HA VAL 7 -8.991 -15.379 -0.889 43 HB VAL 7 HB VAL 7 -9.199 -17.453 -3.095 44 HG11 VAL 7 HG11 VAL 7 -11.227 -15.808 -1.543 45 HG12 VAL 7 HG12 VAL 7 -11.603 -16.475 -3.133 46 HG13 VAL 7 HG13 VAL 7 -11.188 -17.562 -1.812 47 HG21 VAL 7 HG21 VAL 7 -8.362 -15.310 -4.098 48 HG22 VAL 7 HG22 VAL 7 -10.034 -15.619 -4.550 49 HG23 VAL 7 HG23 VAL 7 -9.671 -14.445 -3.281 50 H THR 8 HN THR 8 -6.538 -17.481 -0.523 51 HA THR 8 HA THR 8 -7.337 -17.969 2.054 52 HB THR 8 HB THR 8 -7.335 -20.473 0.314 53 HG1 THR 8 HG1 THR 8 -9.288 -19.273 1.005 54 HG21 THR 8 HG21 THR 8 -5.775 -20.922 2.208 55 HG22 THR 8 HG22 THR 8 -7.275 -21.833 2.340 56 HG23 THR 8 HG23 THR 8 -7.041 -20.381 3.343 57 H ALA 9 HN ALA 9 -5.343 -17.032 2.640 58 HA ALA 9 HA ALA 9 -3.345 -18.839 3.045 59 HB1 ALA 9 HB1 ALA 9 -2.434 -16.687 1.062 60 HB2 ALA 9 HB2 ALA 9 -1.375 -17.810 1.926 61 HB3 ALA 9 HB3 ALA 9 -2.500 -18.439 0.732 62 H ARG 10 HN ARG 10 -1.448 -17.663 4.228 63 HA ARG 10 HA ARG 10 -2.229 -15.002 5.335 64 HB2 ARG 10 HB2 ARG 10 -1.297 -17.441 6.895 65 HB3 ARG 10 HB3 ARG 10 -1.376 -15.804 7.545 66 HG2 ARG 10 HG2 ARG 10 -3.817 -15.752 7.079 67 HG3 ARG 10 HG3 ARG 10 -3.743 -17.448 6.578 68 HD2 ARG 10 HD2 ARG 10 -2.813 -16.463 9.301 69 HD3 ARG 10 HD3 ARG 10 -4.470 -16.992 8.982 70 HE ARG 10 HE ARG 10 -2.979 -19.108 8.122 71 HH11 ARG 10 HH11 ARG 10 -3.301 -17.346 11.174 72 HH12 ARG 10 HH12 ARG 10 -2.969 -18.708 12.183 73 HH21 ARG 10 HH21 ARG 10 -2.671 -20.992 9.474 74 HH22 ARG 10 HH22 ARG 10 -2.521 -20.799 11.185 75 H HIS 11 HN HIS 11 -0.554 -15.076 3.194 76 HA HIS 11 HA HIS 11 2.203 -14.919 4.335 77 HB2 HIS 11 HB2 HIS 11 1.349 -16.074 1.663 78 HB3 HIS 11 HB3 HIS 11 3.015 -15.846 2.196 79 HD1 HIS 11 HD1 HIS 11 1.156 -18.663 1.647 80 HD2 HIS 11 HD2 HIS 11 2.868 -17.024 5.100 81 HE1 HIS 11 HE1 HIS 11 1.453 -20.619 3.281 82 H MET 12 HN MET 12 3.167 -12.988 3.994 83 HA MET 12 HA MET 12 2.234 -11.127 1.972 84 HB2 MET 12 HB2 MET 12 1.780 -10.493 4.921 85 HB3 MET 12 HB3 MET 12 1.620 -9.356 3.595 86 HG2 MET 12 HG2 MET 12 -0.210 -10.757 2.638 87 HG3 MET 12 HG3 MET 12 -0.070 -11.830 4.022 88 HE1 MET 12 HE1 MET 12 -0.577 -7.950 3.192 89 HE2 MET 12 HE2 MET 12 -1.861 -8.942 2.481 90 HE3 MET 12 HE3 MET 12 -2.237 -7.809 3.799 91 H SER 13 HN SER 13 3.736 -9.564 1.601 92 HA SER 13 HA SER 13 6.447 -10.168 2.179 93 HB2 SER 13 HB2 SER 13 5.191 -9.057 0.123 94 HB3 SER 13 HB3 SER 13 5.464 -7.564 1.005 95 HG SER 13 HG SER 13 7.483 -9.430 0.185 96 H LYS 14 HN LYS 14 8.010 -8.269 2.714 97 HA LYS 14 HA LYS 14 7.706 -7.691 5.453 98 HB2 LYS 14 HB2 LYS 14 9.914 -7.674 4.320 99 HB3 LYS 14 HB3 LYS 14 9.438 -6.246 3.403 100 HG2 LYS 14 HG2 LYS 14 10.884 -5.588 5.217 101 HG3 LYS 14 HG3 LYS 14 9.315 -4.896 5.464 102 HD2 LYS 14 HD2 LYS 14 9.518 -7.525 6.801 103 HD3 LYS 14 HD3 LYS 14 10.819 -6.460 7.306 104 HE2 LYS 14 HE2 LYS 14 9.439 -4.940 8.332 105 HE3 LYS 14 HE3 LYS 14 8.122 -5.197 7.197 106 HZ1 LYS 14 HZ1 LYS 14 7.806 -7.432 8.322 107 HZ2 LYS 14 HZ2 LYS 14 7.344 -6.110 9.148 108 HZ3 LYS 14 HZ3 LYS 14 8.756 -6.822 9.544 109 H TRP 15 HN TRP 15 7.093 -5.456 2.653 110 HA TRP 15 HA TRP 15 6.167 -3.476 4.604 111 HB2 TRP 15 HB2 TRP 15 6.456 -3.155 1.615 112 HB3 TRP 15 HB3 TRP 15 6.258 -1.896 2.813 113 HD1 TRP 15 HD1 TRP 15 8.905 -3.836 1.056 114 HE1 TRP 15 HE1 TRP 15 11.200 -3.411 2.048 115 HE3 TRP 15 HE3 TRP 15 7.489 -1.121 5.103 116 HZ2 TRP 15 HZ2 TRP 15 12.281 -2.135 4.506 117 HZ3 TRP 15 HZ3 TRP 15 9.126 -0.447 6.843 118 HH2 TRP 15 HH2 TRP 15 11.578 -0.979 6.504 119 H GLU 16 HN GLU 16 4.565 -6.027 3.312 120 HA GLU 16 HA GLU 16 2.388 -4.811 1.917 121 HB2 GLU 16 HB2 GLU 16 3.090 -7.522 2.921 122 HB3 GLU 16 HB3 GLU 16 1.381 -7.202 2.850 123 HG2 GLU 16 HG2 GLU 16 1.660 -6.436 0.458 124 HG3 GLU 16 HG3 GLU 16 3.321 -7.057 0.563 125 H GLU 17 HN GLU 17 2.746 -5.608 5.409 126 HA GLU 17 HA GLU 17 -0.099 -5.008 5.871 127 HB2 GLU 17 HB2 GLU 17 2.173 -5.419 7.851 128 HB3 GLU 17 HB3 GLU 17 0.543 -4.902 8.268 129 HG2 GLU 17 HG2 GLU 17 -0.325 -6.992 7.117 130 HG3 GLU 17 HG3 GLU 17 1.336 -7.560 7.060 131 H ILE 18 HN ILE 18 3.018 -3.276 6.263 132 HA ILE 18 HA ILE 18 2.043 -0.909 7.541 133 HB ILE 18 HB ILE 18 4.278 -1.272 5.507 134 HG12 ILE 18 HG12 ILE 18 4.550 -0.933 8.518 135 HG13 ILE 18 HG13 ILE 18 4.280 -2.523 7.848 136 HG21 ILE 18 HG21 ILE 18 3.616 1.137 5.681 137 HG22 ILE 18 HG22 ILE 18 3.781 1.056 7.439 138 HG23 ILE 18 HG23 ILE 18 5.205 0.863 6.391 139 HD11 ILE 18 HD11 ILE 18 6.673 -2.147 8.195 140 HD12 ILE 18 HD12 ILE 18 6.308 -2.377 6.494 141 HD13 ILE 18 HD13 ILE 18 6.630 -0.730 7.152 142 H ALA 19 HN ALA 19 2.194 -1.706 4.060 143 HA ALA 19 HA ALA 19 1.024 0.660 3.094 144 HB1 ALA 19 HB1 ALA 19 0.307 -0.808 1.136 145 HB2 ALA 19 HB2 ALA 19 2.028 -0.908 1.561 146 HB3 ALA 19 HB3 ALA 19 0.910 -2.206 2.047 147 H VAL 20 HN VAL 20 -0.633 -2.367 4.177 148 HA VAL 20 HA VAL 20 -3.240 -1.365 3.586 149 HB VAL 20 HB VAL 20 -2.312 -3.542 5.545 150 HG11 VAL 20 HG11 VAL 20 -4.620 -2.831 6.124 151 HG12 VAL 20 HG12 VAL 20 -5.107 -3.004 4.420 152 HG13 VAL 20 HG13 VAL 20 -4.639 -4.427 5.373 153 HG21 VAL 20 HG21 VAL 20 -3.576 -3.943 2.819 154 HG22 VAL 20 HG22 VAL 20 -1.824 -3.907 3.058 155 HG23 VAL 20 HG23 VAL 20 -2.803 -5.142 3.869 156 H LYS 21 HN LYS 21 -1.375 -1.576 6.659 157 HA LYS 21 HA LYS 21 -3.233 -0.688 8.504 158 HB2 LYS 21 HB2 LYS 21 -0.218 -0.384 8.353 159 HB3 LYS 21 HB3 LYS 21 -1.133 0.183 9.749 160 HG2 LYS 21 HG2 LYS 21 -1.829 -1.961 10.385 161 HG3 LYS 21 HG3 LYS 21 -1.465 -2.680 8.806 162 HD2 LYS 21 HD2 LYS 21 0.902 -2.489 9.152 163 HD3 LYS 21 HD3 LYS 21 0.700 -1.510 10.595 164 HE2 LYS 21 HE2 LYS 21 -0.426 -4.333 10.433 165 HE3 LYS 21 HE3 LYS 21 1.279 -4.060 10.808 166 HZ1 LYS 21 HZ1 LYS 21 -0.932 -2.869 12.375 167 HZ2 LYS 21 HZ2 LYS 21 0.646 -2.739 12.691 168 HZ3 LYS 21 HZ3 LYS 21 -0.045 -4.219 12.830 169 H GLU 22 HN GLU 22 -0.776 1.433 6.917 170 HA GLU 22 HA GLU 22 -1.862 3.877 7.912 171 HB2 GLU 22 HB2 GLU 22 0.134 2.948 5.928 172 HB3 GLU 22 HB3 GLU 22 -0.597 4.475 5.521 173 HG2 GLU 22 HG2 GLU 22 0.435 4.026 8.317 174 HG3 GLU 22 HG3 GLU 22 1.551 4.384 7.018 175 H ALA 23 HN ALA 23 -2.398 2.222 4.734 176 HA ALA 23 HA ALA 23 -4.244 4.238 3.872 177 HB1 ALA 23 HB1 ALA 23 -4.695 2.671 1.987 178 HB2 ALA 23 HB2 ALA 23 -2.981 2.985 2.247 179 HB3 ALA 23 HB3 ALA 23 -3.683 1.454 2.801 180 H LYS 24 HN LYS 24 -4.834 1.826 6.192 181 HA LYS 24 HA LYS 24 -7.799 2.196 5.761 182 HB2 LYS 24 HB2 LYS 24 -8.311 0.631 7.311 183 HB3 LYS 24 HB3 LYS 24 -7.219 -0.072 6.130 184 HG2 LYS 24 HG2 LYS 24 -5.451 -0.267 7.683 185 HG3 LYS 24 HG3 LYS 24 -6.179 0.950 8.744 186 HD2 LYS 24 HD2 LYS 24 -6.355 -1.225 9.751 187 HD3 LYS 24 HD3 LYS 24 -7.955 -0.574 9.394 188 HE2 LYS 24 HE2 LYS 24 -8.100 -2.014 7.366 189 HE3 LYS 24 HE3 LYS 24 -6.470 -2.638 7.701 190 HZ1 LYS 24 HZ1 LYS 24 -8.100 -4.149 8.529 191 HZ2 LYS 24 HZ2 LYS 24 -8.840 -2.983 9.448 192 HZ3 LYS 24 HZ3 LYS 24 -7.319 -3.471 9.809 193 H LYS 25 HN LYS 25 -5.022 2.957 8.016 194 HA LYS 25 HA LYS 25 -6.805 3.905 10.036 195 HB2 LYS 25 HB2 LYS 25 -4.953 4.134 11.336 196 HB3 LYS 25 HB3 LYS 25 -4.471 2.878 10.254 197 HG2 LYS 25 HG2 LYS 25 -2.546 4.078 10.306 198 HG3 LYS 25 HG3 LYS 25 -3.314 4.894 8.927 199 HD2 LYS 25 HD2 LYS 25 -3.900 6.785 10.206 200 HD3 LYS 25 HD3 LYS 25 -3.687 5.918 11.736 201 HE2 LYS 25 HE2 LYS 25 -1.751 6.979 11.893 202 HE3 LYS 25 HE3 LYS 25 -1.176 5.711 10.795 203 HZ1 LYS 25 HZ1 LYS 25 -1.440 7.192 8.968 204 HZ2 LYS 25 HZ2 LYS 25 -0.555 7.940 10.101 205 HZ3 LYS 25 HZ3 LYS 25 -2.160 8.354 9.898 206 H ARG 26 HN ARG 26 -4.943 5.475 7.514 207 HA ARG 26 HA ARG 26 -5.363 8.194 8.185 208 HB2 ARG 26 HB2 ARG 26 -3.749 7.176 6.526 209 HB3 ARG 26 HB3 ARG 26 -5.127 6.916 5.466 210 HG2 ARG 26 HG2 ARG 26 -4.379 8.827 4.619 211 HG3 ARG 26 HG3 ARG 26 -5.466 9.565 5.754 212 HD2 ARG 26 HD2 ARG 26 -3.642 10.053 7.277 213 HD3 ARG 26 HD3 ARG 26 -2.506 9.110 6.293 214 HE ARG 26 HE ARG 26 -3.920 11.304 4.922 215 HH11 ARG 26 HH11 ARG 26 -0.839 10.346 6.531 216 HH12 ARG 26 HH12 ARG 26 -0.018 11.769 5.969 217 HH21 ARG 26 HH21 ARG 26 -2.724 13.047 4.117 218 HH22 ARG 26 HH22 ARG 26 -1.015 13.197 4.403 219 H TYR 27 HN TYR 27 -7.825 5.874 7.465 220 HA TYR 27 HA TYR 27 -9.625 7.894 6.282 221 HB2 TYR 27 HB2 TYR 27 -9.163 5.074 5.243 222 HB3 TYR 27 HB3 TYR 27 -10.379 6.207 4.685 223 HD1 TYR 27 HD2 TYR 27 -9.762 8.144 3.278 224 HD2 TYR 27 HD1 TYR 27 -6.857 5.236 4.548 225 HE1 TYR 27 HE2 TYR 27 -8.189 8.926 1.512 226 HE2 TYR 27 HE1 TYR 27 -5.295 5.992 2.762 227 HH TYR 27 HH TYR 27 -5.813 8.892 0.932 228 HA PRO 28 HA PRO 28 -11.392 5.478 9.784 229 HB2 PRO 28 HB2 PRO 28 -12.528 7.628 11.103 230 HB3 PRO 28 HB3 PRO 28 -10.871 7.026 11.377 231 HG2 PRO 28 HG2 PRO 28 -11.743 9.437 9.822 232 HG3 PRO 28 HG3 PRO 28 -10.218 9.145 10.722 233 HD2 PRO 28 HD2 PRO 28 -10.492 9.001 7.980 234 HD3 PRO 28 HD3 PRO 28 -9.174 8.295 8.964 235 H LEU 29 HN LEU 29 -12.653 7.793 7.446 236 HA LEU 29 HA LEU 29 -15.464 7.235 7.958 237 HB2 LEU 29 HB2 LEU 29 -13.946 8.594 5.700 238 HB3 LEU 29 HB3 LEU 29 -15.670 8.303 5.625 239 HG LEU 29 HG LEU 29 -16.135 9.679 7.528 240 HD11 LEU 29 HD11 LEU 29 -14.389 11.099 8.618 241 HD12 LEU 29 HD12 LEU 29 -13.130 10.141 7.822 242 HD13 LEU 29 HD13 LEU 29 -14.225 9.395 9.015 243 HD21 LEU 29 HD21 LEU 29 -15.806 10.694 5.267 244 HD22 LEU 29 HD22 LEU 29 -14.148 11.122 5.716 245 HD23 LEU 29 HD23 LEU 29 -15.514 11.832 6.595 246 H ALA 30 HN ALA 30 -13.042 6.160 5.583 247 HA ALA 30 HA ALA 30 -14.952 4.305 4.292 248 HB1 ALA 30 HB1 ALA 30 -13.883 5.971 2.873 249 HB2 ALA 30 HB2 ALA 30 -12.292 5.541 3.512 250 HB3 ALA 30 HB3 ALA 30 -13.188 4.389 2.482 251 H GLN 31 HN GLN 31 -13.515 2.320 3.291 252 HA GLN 31 HA GLN 31 -11.932 1.056 5.483 253 HB2 GLN 31 HB2 GLN 31 -14.102 -0.377 3.959 254 HB3 GLN 31 HB3 GLN 31 -13.292 -0.914 5.413 255 HG2 GLN 31 HG2 GLN 31 -14.685 0.281 6.825 256 HG3 GLN 31 HG3 GLN 31 -14.978 1.566 5.662 257 HE21 GLN 31 HE21 GLN 31 -15.898 0.612 3.471 258 HE22 GLN 31 HE22 GLN 31 -17.455 -0.195 3.730 259 H VAL 32 HN VAL 32 -10.583 -0.597 4.705 260 HA VAL 32 HA VAL 32 -10.260 -0.698 1.751 261 HB VAL 32 HB VAL 32 -8.334 -0.074 3.260 262 HG11 VAL 32 HG11 VAL 32 -8.660 -1.874 4.987 263 HG12 VAL 32 HG12 VAL 32 -8.130 -3.069 3.771 264 HG13 VAL 32 HG13 VAL 32 -7.037 -1.827 4.328 265 HG21 VAL 32 HG21 VAL 32 -6.792 -1.065 1.717 266 HG22 VAL 32 HG22 VAL 32 -7.882 -2.408 1.361 267 HG23 VAL 32 HG23 VAL 32 -8.282 -0.744 0.870 268 H LEU 33 HN LEU 33 -10.377 -2.451 0.530 269 HA LEU 33 HA LEU 33 -11.001 -5.147 1.585 270 HB2 LEU 33 HB2 LEU 33 -12.947 -5.110 -0.066 271 HB3 LEU 33 HB3 LEU 33 -13.180 -4.258 1.439 272 HG LEU 33 HG LEU 33 -12.077 -2.633 -0.839 273 HD11 LEU 33 HD11 LEU 33 -14.995 -3.495 -0.849 274 HD12 LEU 33 HD12 LEU 33 -13.766 -3.929 -2.051 275 HD13 LEU 33 HD13 LEU 33 -14.245 -2.238 -1.877 276 HD21 LEU 33 HD21 LEU 33 -12.835 -1.895 1.627 277 HD22 LEU 33 HD22 LEU 33 -14.431 -1.967 0.946 278 HD23 LEU 33 HD23 LEU 33 -13.184 -0.888 0.231 279 H PHE 34 HN PHE 34 -8.811 -3.604 -0.235 280 HA PHE 34 HA PHE 34 -8.745 -5.631 -2.380 281 HB2 PHE 34 HB2 PHE 34 -9.618 -2.855 -2.652 282 HB3 PHE 34 HB3 PHE 34 -8.109 -3.071 -3.506 283 HD1 PHE 34 HD2 PHE 34 -7.925 -5.138 -5.089 284 HD2 PHE 34 HD1 PHE 34 -11.630 -3.317 -3.822 285 HE1 PHE 34 HE2 PHE 34 -9.006 -5.962 -7.127 286 HE2 PHE 34 HE1 PHE 34 -12.726 -4.126 -5.898 287 HZ PHE 34 HZ PHE 34 -11.445 -5.480 -7.529 288 H LYS 35 HN LYS 35 -6.499 -6.078 -2.892 289 HA LYS 35 HA LYS 35 -4.470 -4.093 -2.140 290 HB2 LYS 35 HB2 LYS 35 -3.924 -6.876 -1.081 291 HB3 LYS 35 HB3 LYS 35 -3.210 -5.348 -0.639 292 HG2 LYS 35 HG2 LYS 35 -5.212 -4.732 0.627 293 HG3 LYS 35 HG3 LYS 35 -6.058 -6.168 0.066 294 HD2 LYS 35 HD2 LYS 35 -4.402 -7.588 1.275 295 HD3 LYS 35 HD3 LYS 35 -3.618 -6.125 1.857 296 HE2 LYS 35 HE2 LYS 35 -5.139 -6.850 3.603 297 HE3 LYS 35 HE3 LYS 35 -5.823 -5.394 2.861 298 HZ1 LYS 35 HZ1 LYS 35 -7.568 -6.992 3.079 299 HZ2 LYS 35 HZ2 LYS 35 -6.678 -8.196 2.423 300 HZ3 LYS 35 HZ3 LYS 35 -7.217 -6.959 1.494 301 H GLN 36 HN GLN 36 -3.786 -3.868 -4.286 302 HA GLN 36 HA GLN 36 -3.070 -6.346 -5.763 303 HB2 GLN 36 HB2 GLN 36 -4.331 -3.763 -6.752 304 HB3 GLN 36 HB3 GLN 36 -3.565 -4.928 -7.844 305 HG2 GLN 36 HG2 GLN 36 -5.877 -5.542 -5.976 306 HG3 GLN 36 HG3 GLN 36 -6.049 -5.084 -7.669 307 HE21 GLN 36 HE21 GLN 36 -5.768 -6.722 -9.322 308 HE22 GLN 36 HE22 GLN 36 -5.526 -8.381 -8.821 309 H LYS 37 HN LYS 37 -1.474 -5.826 -7.584 310 HA LYS 37 HA LYS 37 0.849 -4.517 -6.199 311 HB2 LYS 37 HB2 LYS 37 0.803 -7.064 -7.859 312 HB3 LYS 37 HB3 LYS 37 2.192 -6.395 -7.002 313 HG2 LYS 37 HG2 LYS 37 1.098 -6.907 -4.839 314 HG3 LYS 37 HG3 LYS 37 -0.345 -7.453 -5.677 315 HD2 LYS 37 HD2 LYS 37 1.324 -9.104 -6.923 316 HD3 LYS 37 HD3 LYS 37 2.390 -8.697 -5.576 317 HE2 LYS 37 HE2 LYS 37 1.304 -10.650 -4.857 318 HE3 LYS 37 HE3 LYS 37 0.427 -9.341 -4.035 319 HZ1 LYS 37 HZ1 LYS 37 -0.437 -10.835 -6.429 320 HZ2 LYS 37 HZ2 LYS 37 -1.206 -9.488 -5.897 321 HZ3 LYS 37 HZ3 LYS 37 -1.166 -10.779 -4.929 322 H VAL 38 HN VAL 38 0.992 -2.606 -7.424 323 HA VAL 38 HA VAL 38 1.041 -2.937 -10.371 324 HB VAL 38 HB VAL 38 -0.268 -0.658 -8.856 325 HG11 VAL 38 HG11 VAL 38 0.040 -0.143 -11.173 326 HG12 VAL 38 HG12 VAL 38 -0.512 -1.741 -11.691 327 HG13 VAL 38 HG13 VAL 38 -1.648 -0.569 -10.994 328 HG21 VAL 38 HG21 VAL 38 -1.485 -2.623 -8.084 329 HG22 VAL 38 HG22 VAL 38 -2.455 -1.825 -9.319 330 HG23 VAL 38 HG23 VAL 38 -1.551 -3.280 -9.739 331 H TRP 39 HN TRP 39 3.136 -2.021 -7.882 332 HA TRP 39 HA TRP 39 4.913 -0.986 -9.892 333 HB2 TRP 39 HB2 TRP 39 3.624 1.060 -8.779 334 HB3 TRP 39 HB3 TRP 39 4.712 0.763 -7.445 335 HD1 TRP 39 HD1 TRP 39 5.270 1.142 -11.243 336 HE1 TRP 39 HE1 TRP 39 7.056 2.977 -11.640 337 HE3 TRP 39 HE3 TRP 39 6.484 2.239 -6.411 338 HZ2 TRP 39 HZ2 TRP 39 8.402 4.942 -10.110 339 HZ3 TRP 39 HZ3 TRP 39 7.979 4.143 -5.890 340 HH2 TRP 39 HH2 TRP 39 8.952 5.500 -7.724 341 H ASP 40 HN ASP 40 7.013 -1.540 -9.379 342 HA ASP 40 HA ASP 40 7.973 -1.977 -6.675 343 HB2 ASP 40 HB2 ASP 40 7.406 -4.253 -6.872 344 HB3 ASP 40 HB3 ASP 40 7.638 -4.253 -8.630 345 H ARG 41 HN ARG 41 9.756 -0.688 -6.796 346 HA ARG 41 HA ARG 41 11.698 -1.210 -8.887 347 HB2 ARG 41 HB2 ARG 41 11.888 1.154 -9.607 348 HB3 ARG 41 HB3 ARG 41 10.352 0.436 -10.013 349 HG2 ARG 41 HG2 ARG 41 9.896 2.595 -9.352 350 HG3 ARG 41 HG3 ARG 41 9.340 1.607 -8.009 351 HD2 ARG 41 HD2 ARG 41 10.432 3.674 -7.256 352 HD3 ARG 41 HD3 ARG 41 11.303 2.269 -6.680 353 HE ARG 41 HE ARG 41 13.145 2.877 -7.962 354 HH11 ARG 41 HH11 ARG 41 10.401 4.746 -9.134 355 HH12 ARG 41 HH12 ARG 41 11.329 5.619 -10.297 356 HH21 ARG 41 HH21 ARG 41 14.354 4.015 -9.398 357 HH22 ARG 41 HH22 ARG 41 13.699 5.276 -10.369 358 H LYS 42 HN LYS 42 13.649 0.425 -8.458 359 HA LYS 42 HA LYS 42 13.843 1.303 -5.703 360 HB2 LYS 42 HB2 LYS 42 16.062 0.088 -5.358 361 HB3 LYS 42 HB3 LYS 42 14.601 -0.839 -5.185 362 HG2 LYS 42 HG2 LYS 42 16.067 -0.878 -7.846 363 HG3 LYS 42 HG3 LYS 42 16.694 -1.768 -6.460 364 HD2 LYS 42 HD2 LYS 42 14.406 -2.837 -6.205 365 HD3 LYS 42 HD3 LYS 42 14.007 -2.214 -7.811 366 HE2 LYS 42 HE2 LYS 42 15.777 -3.475 -8.820 367 HE3 LYS 42 HE3 LYS 42 16.463 -3.870 -7.233 368 HZ1 LYS 42 HZ1 LYS 42 14.484 -5.127 -6.735 369 HZ2 LYS 42 HZ2 LYS 42 15.193 -5.758 -8.057 370 HZ3 LYS 42 HZ3 LYS 42 13.834 -4.839 -8.228 371 H ARG 43 HN ARG 43 16.330 1.993 -5.471 372 HA ARG 43 HA ARG 43 17.206 3.639 -7.774 373 HB2 ARG 43 HB2 ARG 43 17.415 4.214 -4.781 374 HB3 ARG 43 HB3 ARG 43 18.340 5.081 -5.989 375 HG2 ARG 43 HG2 ARG 43 15.294 5.105 -5.982 376 HG3 ARG 43 HG3 ARG 43 16.295 6.222 -5.063 377 HD2 ARG 43 HD2 ARG 43 17.487 6.474 -7.515 378 HD3 ARG 43 HD3 ARG 43 15.837 6.110 -8.022 379 HE ARG 43 HE ARG 43 16.880 8.451 -6.573 380 HH11 ARG 43 HH11 ARG 43 13.922 6.947 -7.879 381 HH12 ARG 43 HH12 ARG 43 12.911 8.273 -7.347 382 HH21 ARG 43 HH21 ARG 43 15.557 10.139 -5.971 383 HH22 ARG 43 HH22 ARG 43 13.893 10.214 -6.440 384 H LYS 44 HN LYS 44 19.875 3.944 -6.526 385 HA LYS 44 HA LYS 44 20.780 1.127 -6.756 386 HB2 LYS 44 HB2 LYS 44 22.482 3.592 -6.288 387 HB3 LYS 44 HB3 LYS 44 22.996 1.970 -6.666 388 HG2 LYS 44 HG2 LYS 44 23.302 3.190 -8.608 389 HG3 LYS 44 HG3 LYS 44 21.862 2.231 -8.926 390 HD2 LYS 44 HD2 LYS 44 20.437 4.156 -8.802 391 HD3 LYS 44 HD3 LYS 44 21.647 5.087 -7.905 392 HE2 LYS 44 HE2 LYS 44 23.122 5.040 -9.910 393 HE3 LYS 44 HE3 LYS 44 21.838 4.223 -10.819 394 HZ1 LYS 44 HZ1 LYS 44 21.862 6.561 -11.220 395 HZ2 LYS 44 HZ2 LYS 44 21.661 6.937 -9.617 396 HZ3 LYS 44 HZ3 LYS 44 20.470 6.198 -10.504 397 H ASP 45 HN ASP 45 20.433 3.816 -4.443 398 HA ASP 45 HA ASP 45 21.399 2.090 -2.217 399 HB2 ASP 45 HB2 ASP 45 21.485 5.117 -2.385 400 HB3 ASP 45 HB3 ASP 45 22.344 4.046 -1.263 401 H GLU 46 HN GLU 46 18.527 2.746 -3.294 402 HA GLU 46 HA GLU 46 17.198 3.142 -0.743 403 HB2 GLU 46 HB2 GLU 46 17.525 5.338 -2.684 404 HB3 GLU 46 HB3 GLU 46 15.827 4.908 -2.524 405 HG2 GLU 46 HG2 GLU 46 15.755 5.393 -0.226 406 HG3 GLU 46 HG3 GLU 46 17.532 5.350 -0.061 407 H ALA 47 HN ALA 47 14.843 2.543 -1.101 408 HA ALA 47 HA ALA 47 14.204 1.397 -3.722 409 HB1 ALA 47 HB1 ALA 47 14.168 -0.132 -1.093 410 HB2 ALA 47 HB2 ALA 47 13.434 -0.700 -2.626 411 HB3 ALA 47 HB3 ALA 47 15.194 -0.479 -2.512 412 H VAL 48 HN VAL 48 11.915 1.301 -4.076 413 HA VAL 48 HA VAL 48 10.173 2.456 -2.038 414 HB VAL 48 HB VAL 48 10.367 3.769 -4.776 415 HG11 VAL 48 HG11 VAL 48 9.070 4.750 -2.204 416 HG12 VAL 48 HG12 VAL 48 8.914 5.448 -3.823 417 HG13 VAL 48 HG13 VAL 48 8.191 3.867 -3.470 418 HG21 VAL 48 HG21 VAL 48 11.585 4.842 -2.198 419 HG22 VAL 48 HG22 VAL 48 12.465 4.398 -3.677 420 HG23 VAL 48 HG23 VAL 48 11.352 5.767 -3.692 421 H LYS 49 HN LYS 49 8.866 0.667 -2.003 422 HA LYS 49 HA LYS 49 7.541 -0.099 -4.489 423 HB2 LYS 49 HB2 LYS 49 7.988 -2.410 -4.422 424 HB3 LYS 49 HB3 LYS 49 9.565 -1.632 -4.279 425 HG2 LYS 49 HG2 LYS 49 9.259 -2.009 -1.697 426 HG3 LYS 49 HG3 LYS 49 7.935 -3.068 -2.141 427 HD2 LYS 49 HD2 LYS 49 9.569 -4.329 -3.640 428 HD3 LYS 49 HD3 LYS 49 10.838 -3.265 -2.967 429 HE2 LYS 49 HE2 LYS 49 10.334 -4.068 -0.700 430 HE3 LYS 49 HE3 LYS 49 9.105 -5.177 -1.361 431 HZ1 LYS 49 HZ1 LYS 49 11.914 -5.294 -2.276 432 HZ2 LYS 49 HZ2 LYS 49 10.737 -6.478 -2.313 433 HZ3 LYS 49 HZ3 LYS 49 11.439 -6.030 -0.896 434 H GLN 50 HN GLN 50 5.442 -0.654 -4.062 435 HA GLN 50 HA GLN 50 4.538 -0.911 -1.289 436 HB2 GLN 50 HB2 GLN 50 3.071 1.172 -2.854 437 HB3 GLN 50 HB3 GLN 50 3.407 1.036 -1.138 438 HG2 GLN 50 HG2 GLN 50 4.498 2.934 -1.685 439 HG3 GLN 50 HG3 GLN 50 5.841 1.827 -1.788 440 HE21 GLN 50 HE21 GLN 50 5.065 4.526 -3.315 441 HE22 GLN 50 HE22 GLN 50 5.318 4.090 -4.968 442 H TYR 51 HN TYR 51 1.829 -0.494 -1.877 443 HA TYR 51 HA TYR 51 1.158 -2.230 -4.136 444 HB2 TYR 51 HB2 TYR 51 0.043 -2.490 -1.317 445 HB3 TYR 51 HB3 TYR 51 -0.488 -3.411 -2.719 446 HD1 TYR 51 HD2 TYR 51 1.201 -4.906 -3.912 447 HD2 TYR 51 HD1 TYR 51 2.030 -3.116 -0.106 448 HE1 TYR 51 HE2 TYR 51 3.187 -6.393 -3.660 449 HE2 TYR 51 HE1 TYR 51 4.034 -4.523 0.162 450 HH TYR 51 HH TYR 51 4.971 -7.040 -2.254 451 H HIS 52 HN HIS 52 -1.250 -1.930 -4.551 452 HA HIS 52 HA HIS 52 -2.180 0.855 -4.123 453 HB2 HIS 52 HB2 HIS 52 -1.520 0.674 -6.429 454 HB3 HIS 52 HB3 HIS 52 -2.147 -0.970 -6.551 455 HD1 HIS 52 HD1 HIS 52 -4.012 2.366 -5.574 456 HD2 HIS 52 HD2 HIS 52 -4.147 -1.018 -8.107 457 HE1 HIS 52 HE1 HIS 52 -6.096 2.598 -6.995 458 H LEU 53 HN LEU 53 -4.399 0.908 -3.528 459 HA LEU 53 HA LEU 53 -5.706 -1.677 -2.964 460 HB2 LEU 53 HB2 LEU 53 -4.991 0.433 -0.865 461 HB3 LEU 53 HB3 LEU 53 -6.038 -0.967 -0.638 462 HG LEU 53 HG LEU 53 -3.731 -2.230 -1.369 463 HD11 LEU 53 HD11 LEU 53 -2.854 0.144 0.344 464 HD12 LEU 53 HD12 LEU 53 -2.440 -0.047 -1.391 465 HD13 LEU 53 HD13 LEU 53 -1.852 -1.217 -0.186 466 HD21 LEU 53 HD21 LEU 53 -5.159 -2.592 0.673 467 HD22 LEU 53 HD22 LEU 53 -4.312 -1.266 1.460 468 HD23 LEU 53 HD23 LEU 53 -3.405 -2.721 0.960 469 H THR 54 HN THR 54 -7.998 -1.350 -2.835 470 HA THR 54 HA THR 54 -8.956 1.373 -3.615 471 HB THR 54 HB THR 54 -10.150 -1.358 -4.151 472 HG1 THR 54 HG1 THR 54 -8.328 -0.585 -5.434 473 HG21 THR 54 HG21 THR 54 -11.973 0.264 -3.805 474 HG22 THR 54 HG22 THR 54 -11.846 -0.218 -5.495 475 HG23 THR 54 HG23 THR 54 -11.222 1.363 -4.989 476 H LEU 55 HN LEU 55 -10.106 2.442 -2.226 477 HA LEU 55 HA LEU 55 -11.134 1.025 0.201 478 HB2 LEU 55 HB2 LEU 55 -10.461 3.948 -0.253 479 HB3 LEU 55 HB3 LEU 55 -11.492 3.436 1.065 480 HG LEU 55 HG LEU 55 -9.220 1.700 1.085 481 HD11 LEU 55 HD11 LEU 55 -7.350 3.219 1.402 482 HD12 LEU 55 HD12 LEU 55 -8.377 4.625 1.189 483 HD13 LEU 55 HD13 LEU 55 -8.114 3.564 -0.179 484 HD21 LEU 55 HD21 LEU 55 -9.316 3.803 3.158 485 HD22 LEU 55 HD22 LEU 55 -9.025 2.053 3.243 486 HD23 LEU 55 HD23 LEU 55 -10.675 2.699 3.054 487 H ARG 56 HN ARG 56 -13.145 1.605 1.010 488 HA ARG 56 HA ARG 56 -15.255 2.363 -0.971 489 HB2 ARG 56 HB2 ARG 56 -14.962 -0.083 -0.831 490 HB3 ARG 56 HB3 ARG 56 -15.307 -0.002 0.919 491 HG2 ARG 56 HG2 ARG 56 -17.585 0.674 0.498 492 HG3 ARG 56 HG3 ARG 56 -17.224 0.895 -1.223 493 HD2 ARG 56 HD2 ARG 56 -16.618 -1.531 -1.388 494 HD3 ARG 56 HD3 ARG 56 -17.257 -1.743 0.257 495 HE ARG 56 HE ARG 56 -19.397 -0.748 -0.638 496 HH11 ARG 56 HH11 ARG 56 -17.207 -2.262 -3.135 497 HH12 ARG 56 HH12 ARG 56 -18.548 -2.768 -4.047 498 HH21 ARG 56 HH21 ARG 56 -20.998 -1.126 -2.182 499 HH22 ARG 56 HH22 ARG 56 -20.704 -2.106 -3.574 500 H GLU 57 HN GLU 57 -15.961 4.190 -0.116 501 HA GLU 57 HA GLU 57 -16.695 4.453 2.745 502 HB2 GLU 57 HB2 GLU 57 -15.863 6.487 1.610 503 HB3 GLU 57 HB3 GLU 57 -17.008 6.235 0.301 504 HG2 GLU 57 HG2 GLU 57 -18.789 6.328 2.348 505 HG3 GLU 57 HG3 GLU 57 -17.464 7.260 3.049 506 H GLY 58 HN GLY 58 -18.781 3.596 3.150 507 HA2 GLY 58 HA1 GLY 58 -21.009 2.963 2.771 508 HA3 GLY 58 HA2 GLY 58 -20.942 4.601 2.125 509 H SER 59 HN SER 59 -21.303 4.950 -0.014 510 HA SER 59 HA SER 59 -21.722 2.641 -1.841 511 HB2 SER 59 HB2 SER 59 -23.403 5.156 -1.763 512 HB3 SER 59 HB3 SER 59 -23.637 3.719 -2.775 513 HG SER 59 HG SER 59 -23.955 4.052 0.001 514 H LYS 60 HN LYS 60 -19.256 3.773 -1.646 515 HA LYS 60 HA LYS 60 -18.950 4.829 -4.381 516 HB2 LYS 60 HB2 LYS 60 -18.908 6.740 -2.760 517 HB3 LYS 60 HB3 LYS 60 -17.587 5.974 -1.886 518 HG2 LYS 60 HG2 LYS 60 -16.050 6.399 -3.575 519 HG3 LYS 60 HG3 LYS 60 -17.227 6.391 -4.826 520 HD2 LYS 60 HD2 LYS 60 -16.604 8.619 -4.702 521 HD3 LYS 60 HD3 LYS 60 -18.132 8.615 -3.834 522 HE2 LYS 60 HE2 LYS 60 -16.990 8.673 -1.682 523 HE3 LYS 60 HE3 LYS 60 -15.423 8.347 -2.453 524 HZ1 LYS 60 HZ1 LYS 60 -15.594 10.502 -3.569 525 HZ2 LYS 60 HZ2 LYS 60 -15.644 10.644 -1.921 526 HZ3 LYS 60 HZ3 LYS 60 -17.009 10.807 -2.798 527 H GLU 61 HN GLU 61 -16.622 4.453 -5.082 528 HA GLU 61 HA GLU 61 -14.937 2.787 -3.419 529 HB2 GLU 61 HB2 GLU 61 -15.967 1.838 -6.089 530 HB3 GLU 61 HB3 GLU 61 -14.307 1.499 -5.621 531 HG2 GLU 61 HG2 GLU 61 -14.880 0.219 -3.744 532 HG3 GLU 61 HG3 GLU 61 -16.512 0.852 -3.682 533 H PHE 62 HN PHE 62 -12.785 3.429 -3.800 534 HA PHE 62 HA PHE 62 -12.033 5.034 -6.108 535 HB2 PHE 62 HB2 PHE 62 -11.071 6.868 -4.797 536 HB3 PHE 62 HB3 PHE 62 -12.822 6.855 -4.862 537 HD1 PHE 62 HD1 PHE 62 -14.149 6.343 -2.867 538 HD2 PHE 62 HD2 PHE 62 -9.875 6.548 -2.620 539 HE1 PHE 62 HE1 PHE 62 -14.335 6.777 -0.386 540 HE2 PHE 62 HE2 PHE 62 -10.031 7.030 -0.226 541 HZ PHE 62 HZ PHE 62 -12.299 7.115 0.912 542 H GLY 63 HN GLY 63 -9.748 4.943 -6.454 543 HA2 GLY 63 HA1 GLY 63 -8.354 2.811 -4.986 544 HA3 GLY 63 HA2 GLY 63 -7.807 3.739 -6.392 545 H VAL 64 HN VAL 64 -6.450 3.175 -3.667 546 HA VAL 64 HA VAL 64 -5.347 5.930 -3.740 547 HB VAL 64 HB VAL 64 -4.867 5.873 -1.422 548 HG11 VAL 64 HG11 VAL 64 -7.057 6.021 -0.423 549 HG12 VAL 64 HG12 VAL 64 -7.125 6.583 -2.092 550 HG13 VAL 64 HG13 VAL 64 -7.758 5.012 -1.723 551 HG21 VAL 64 HG21 VAL 64 -6.003 3.123 -1.267 552 HG22 VAL 64 HG22 VAL 64 -4.318 3.580 -0.999 553 HG23 VAL 64 HG23 VAL 64 -5.562 4.141 0.128 554 H PHE 65 HN PHE 65 -3.009 6.063 -3.216 555 HA PHE 65 HA PHE 65 -1.541 3.612 -4.092 556 HB2 PHE 65 HB2 PHE 65 -1.179 6.494 -4.976 557 HB3 PHE 65 HB3 PHE 65 -0.085 5.209 -5.367 558 HD1 PHE 65 HD2 PHE 65 -0.973 3.229 -6.772 559 HD2 PHE 65 HD1 PHE 65 -3.185 6.872 -6.135 560 HE1 PHE 65 HE2 PHE 65 -2.369 2.720 -8.758 561 HE2 PHE 65 HE1 PHE 65 -4.605 6.355 -8.121 562 HZ PHE 65 HZ PHE 65 -4.189 4.293 -9.438 563 H VAL 66 HN VAL 66 -0.413 2.991 -2.355 564 HA VAL 66 HA VAL 66 0.280 4.734 -0.163 565 HB VAL 66 HB VAL 66 1.166 1.933 -0.999 566 HG11 VAL 66 HG11 VAL 66 2.849 2.757 0.509 567 HG12 VAL 66 HG12 VAL 66 1.621 3.382 1.623 568 HG13 VAL 66 HG13 VAL 66 1.828 1.634 1.380 569 HG21 VAL 66 HG21 VAL 66 -1.048 2.989 0.787 570 HG22 VAL 66 HG22 VAL 66 -1.194 1.938 -0.621 571 HG23 VAL 66 HG23 VAL 66 -0.485 1.303 0.862 572 H THR 67 HN THR 67 2.390 5.625 0.396 573 HA THR 67 HA THR 67 4.592 4.975 -1.482 574 HB THR 67 HB THR 67 4.257 7.547 0.056 575 HG1 THR 67 HG1 THR 67 4.011 8.468 -1.974 576 HG21 THR 67 HG21 THR 67 6.609 6.869 -0.191 577 HG22 THR 67 HG22 THR 67 6.259 8.152 -1.329 578 HG23 THR 67 HG23 THR 67 6.357 6.490 -1.910 579 H ILE 68 HN ILE 68 6.172 3.782 -0.435 580 HA ILE 68 HA ILE 68 6.853 4.452 2.315 581 HB ILE 68 HB ILE 68 6.556 1.600 1.299 582 HG12 ILE 68 HG12 ILE 68 5.211 2.708 3.798 583 HG13 ILE 68 HG13 ILE 68 4.429 2.815 2.229 584 HG21 ILE 68 HG21 ILE 68 8.606 1.867 2.661 585 HG22 ILE 68 HG22 ILE 68 7.664 2.642 3.952 586 HG23 ILE 68 HG23 ILE 68 7.421 0.930 3.547 587 HD11 ILE 68 HD11 ILE 68 5.269 0.227 3.567 588 HD12 ILE 68 HD12 ILE 68 3.625 0.843 3.321 589 HD13 ILE 68 HD13 ILE 68 4.600 0.388 1.921 590 H SER 69 HN SER 69 9.006 4.816 2.317 591 HA SER 69 HA SER 69 10.662 4.100 -0.054 592 HB2 SER 69 HB2 SER 69 10.825 6.630 1.646 593 HB3 SER 69 HB3 SER 69 11.665 6.293 0.125 594 HG SER 69 HG SER 69 9.739 7.667 -0.023 595 H PHE 70 HN PHE 70 12.401 2.808 0.618 596 HA PHE 70 HA PHE 70 13.267 2.895 3.448 597 HB2 PHE 70 HB2 PHE 70 13.013 0.533 3.708 598 HB3 PHE 70 HB3 PHE 70 11.461 1.186 3.241 599 HD1 PHE 70 HD2 PHE 70 10.796 1.041 0.725 600 HD2 PHE 70 HD1 PHE 70 13.993 -1.252 2.462 601 HE1 PHE 70 HE2 PHE 70 10.684 -0.526 -1.150 602 HE2 PHE 70 HE1 PHE 70 13.754 -2.952 0.621 603 HZ PHE 70 HZ PHE 70 12.111 -2.586 -1.165 604 H ASP 71 HN ASP 71 15.266 1.654 3.759 605 HA ASP 71 HA ASP 71 16.986 1.948 1.322 606 HB2 ASP 71 HB2 ASP 71 17.511 2.029 4.208 607 HB3 ASP 71 HB3 ASP 71 18.706 1.129 3.245 608 HA PRO 72 HA PRO 72 17.015 -2.387 0.487 609 HB2 PRO 72 HB2 PRO 72 19.197 -2.615 -1.159 610 HB3 PRO 72 HB3 PRO 72 17.676 -1.816 -1.653 611 HG2 PRO 72 HG2 PRO 72 20.207 -0.502 -0.618 612 HG3 PRO 72 HG3 PRO 72 19.232 -0.058 -2.056 613 HD2 PRO 72 HD2 PRO 72 18.926 1.223 0.327 614 HD3 PRO 72 HD3 PRO 72 17.521 0.866 -0.728 615 H TYR 73 HN TYR 73 19.838 -0.793 1.845 616 HA TYR 73 HA TYR 73 21.659 -2.657 2.446 617 HB2 TYR 73 HB2 TYR 73 20.565 -0.342 4.038 618 HB3 TYR 73 HB3 TYR 73 21.842 -1.343 4.710 619 HD1 TYR 73 HD1 TYR 73 21.031 1.029 1.901 620 HD2 TYR 73 HD2 TYR 73 24.092 -1.165 4.039 621 HE1 TYR 73 HE1 TYR 73 22.771 2.290 0.708 622 HE2 TYR 73 HE2 TYR 73 25.831 0.116 2.865 623 HH TYR 73 HH TYR 73 26.196 1.397 0.973 624 H SER 74 HN SER 74 19.002 -1.943 4.773 625 HA SER 74 HA SER 74 18.956 -4.773 5.624 626 HB2 SER 74 HB2 SER 74 20.826 -3.399 6.791 627 HB3 SER 74 HB3 SER 74 19.515 -2.639 7.689 628 HG SER 74 HG SER 74 20.675 -4.777 8.399 629 H GLN 75 HN GLN 75 17.126 -2.730 4.348 630 HA GLN 75 HA GLN 75 14.980 -1.998 4.408 631 HB2 GLN 75 HB2 GLN 75 14.830 -4.706 5.684 632 HB3 GLN 75 HB3 GLN 75 13.446 -3.672 5.857 633 HG2 GLN 75 HG2 GLN 75 12.866 -4.783 3.999 634 HG3 GLN 75 HG3 GLN 75 13.522 -3.340 3.299 635 HE21 GLN 75 HE21 GLN 75 16.019 -3.500 2.661 636 HE22 GLN 75 HE22 GLN 75 16.446 -5.066 1.971 637 H LYS 76 HN LYS 76 15.874 -0.072 5.531 638 HA LYS 76 HA LYS 76 14.484 0.307 8.135 639 HB2 LYS 76 HB2 LYS 76 17.035 1.521 6.985 640 HB3 LYS 76 HB3 LYS 76 16.005 2.412 8.093 641 HG2 LYS 76 HG2 LYS 76 17.775 1.387 9.347 642 HG3 LYS 76 HG3 LYS 76 16.219 0.711 9.809 643 HD2 LYS 76 HD2 LYS 76 16.681 -1.379 8.836 644 HD3 LYS 76 HD3 LYS 76 17.937 -0.725 7.789 645 HE2 LYS 76 HE2 LYS 76 18.963 -2.036 9.579 646 HE3 LYS 76 HE3 LYS 76 19.420 -0.339 9.681 647 HZ1 LYS 76 HZ1 LYS 76 17.429 -1.681 11.400 648 HZ2 LYS 76 HZ2 LYS 76 17.787 -0.075 11.464 649 HZ3 LYS 76 HZ3 LYS 76 18.929 -1.155 11.827 650 H VAL 77 HN VAL 77 12.649 1.326 7.717 651 HA VAL 77 HA VAL 77 12.060 2.567 5.152 652 HB VAL 77 HB VAL 77 10.279 1.438 5.989 653 HG11 VAL 77 HG11 VAL 77 10.894 1.054 8.266 654 HG12 VAL 77 HG12 VAL 77 10.769 2.781 8.673 655 HG13 VAL 77 HG13 VAL 77 9.300 1.835 8.288 656 HG21 VAL 77 HG21 VAL 77 8.519 3.036 6.258 657 HG22 VAL 77 HG22 VAL 77 9.633 4.297 6.757 658 HG23 VAL 77 HG23 VAL 77 9.678 3.671 5.106 659 H ASN 78 HN ASN 78 12.545 4.475 4.603 660 HA ASN 78 HA ASN 78 13.809 6.406 6.398 661 HB2 ASN 78 HB2 ASN 78 13.257 6.373 3.384 662 HB3 ASN 78 HB3 ASN 78 14.174 7.620 4.230 663 HD21 ASN 78 HD21 ASN 78 14.807 5.195 2.220 664 HD22 ASN 78 HD22 ASN 78 16.254 4.522 2.948 665 H LYS 79 HN LYS 79 11.007 6.289 4.094 666 HA LYS 79 HA LYS 79 9.573 8.355 5.666 667 HB2 LYS 79 HB2 LYS 79 10.589 8.592 2.839 668 HB3 LYS 79 HB3 LYS 79 9.002 9.238 3.183 669 HG2 LYS 79 HG2 LYS 79 11.072 10.076 5.146 670 HG3 LYS 79 HG3 LYS 79 11.376 10.597 3.485 671 HD2 LYS 79 HD2 LYS 79 9.121 11.630 3.378 672 HD3 LYS 79 HD3 LYS 79 8.791 11.078 5.020 673 HE2 LYS 79 HE2 LYS 79 9.374 13.414 5.091 674 HE3 LYS 79 HE3 LYS 79 10.654 12.484 5.877 675 HZ1 LYS 79 HZ1 LYS 79 12.013 12.770 3.924 676 HZ2 LYS 79 HZ2 LYS 79 11.452 14.239 4.395 677 HZ3 LYS 79 HZ3 LYS 79 10.796 13.496 3.090 678 H ILE 80 HN ILE 80 7.343 8.459 5.094 679 HA ILE 80 HA ILE 80 6.203 6.399 3.366 680 HB ILE 80 HB ILE 80 5.277 6.935 6.232 681 HG12 ILE 80 HG12 ILE 80 6.427 4.425 4.926 682 HG13 ILE 80 HG13 ILE 80 7.198 5.415 6.166 683 HG21 ILE 80 HG21 ILE 80 4.010 5.078 4.179 684 HG22 ILE 80 HG22 ILE 80 3.453 5.359 5.844 685 HG23 ILE 80 HG23 ILE 80 3.336 6.649 4.675 686 HD11 ILE 80 HD11 ILE 80 4.768 3.655 6.536 687 HD12 ILE 80 HD12 ILE 80 6.373 3.490 7.261 688 HD13 ILE 80 HD13 ILE 80 5.332 4.853 7.733 689 H ALA 81 HN ALA 81 4.278 7.271 2.379 690 HA ALA 81 HA ALA 81 3.184 9.769 3.320 691 HB1 ALA 81 HB1 ALA 81 3.307 10.983 1.218 692 HB2 ALA 81 HB2 ALA 81 4.955 10.581 1.718 693 HB3 ALA 81 HB3 ALA 81 4.160 9.652 0.431 694 H ILE 82 HN ILE 82 1.240 10.260 1.639 695 HA ILE 82 HA ILE 82 -0.172 7.720 1.082 696 HB ILE 82 HB ILE 82 -1.173 10.136 2.583 697 HG12 ILE 82 HG12 ILE 82 0.128 8.510 3.952 698 HG13 ILE 82 HG13 ILE 82 -1.536 8.682 4.402 699 HG21 ILE 82 HG21 ILE 82 -2.802 7.730 1.647 700 HG22 ILE 82 HG22 ILE 82 -3.351 9.003 2.736 701 HG23 ILE 82 HG23 ILE 82 -2.966 9.396 1.086 702 HD11 ILE 82 HD11 ILE 82 -2.119 6.509 3.494 703 HD12 ILE 82 HD12 ILE 82 -0.464 6.311 2.862 704 HD13 ILE 82 HD13 ILE 82 -0.763 6.399 4.603 705 H LEU 83 HN LEU 83 -1.665 8.001 -0.718 706 HA LEU 83 HA LEU 83 -1.901 10.557 -2.065 707 HB2 LEU 83 HB2 LEU 83 0.127 8.961 -2.901 708 HB3 LEU 83 HB3 LEU 83 -1.161 8.082 -3.639 709 HG LEU 83 HG LEU 83 0.005 9.479 -5.156 710 HD11 LEU 83 HD11 LEU 83 -2.403 9.042 -5.523 711 HD12 LEU 83 HD12 LEU 83 -1.788 10.483 -6.330 712 HD13 LEU 83 HD13 LEU 83 -2.747 10.672 -4.865 713 HD21 LEU 83 HD21 LEU 83 0.005 11.914 -5.075 714 HD22 LEU 83 HD22 LEU 83 0.676 11.286 -3.552 715 HD23 LEU 83 HD23 LEU 83 -0.979 11.911 -3.592 716 H GLU 84 HN GLU 84 -3.855 10.381 -3.339 717 HA GLU 84 HA GLU 84 -5.548 7.992 -2.945 718 HB2 GLU 84 HB2 GLU 84 -6.101 10.021 -1.357 719 HB3 GLU 84 HB3 GLU 84 -6.630 10.798 -2.828 720 HG2 GLU 84 HG2 GLU 84 -8.029 8.464 -3.048 721 HG3 GLU 84 HG3 GLU 84 -7.765 8.469 -1.305 722 H GLU 85 HN GLU 85 -6.983 7.690 -4.826 723 HA GLU 85 HA GLU 85 -6.023 8.714 -7.299 724 HB2 GLU 85 HB2 GLU 85 -7.170 6.561 -7.077 725 HB3 GLU 85 HB3 GLU 85 -8.615 7.380 -6.463 726 HG2 GLU 85 HG2 GLU 85 -8.705 8.619 -8.722 727 HG3 GLU 85 HG3 GLU 85 -7.472 7.458 -9.271 728 H TYR 86 HN TYR 86 -6.083 10.840 -7.680 729 HA TYR 86 HA TYR 86 -8.126 12.578 -6.833 730 HB2 TYR 86 HB2 TYR 86 -5.608 12.737 -8.211 731 HB3 TYR 86 HB3 TYR 86 -6.814 13.581 -9.193 732 HD1 TYR 86 HD1 TYR 86 -8.253 15.298 -8.200 733 HD2 TYR 86 HD2 TYR 86 -5.105 13.424 -5.946 734 HE1 TYR 86 HE1 TYR 86 -8.708 16.849 -6.393 735 HE2 TYR 86 HE2 TYR 86 -5.452 15.021 -4.120 736 HH TYR 86 HH TYR 86 -6.640 16.945 -3.406 737 H GLN 87 HN GLN 87 -9.758 13.133 -7.650 738 HA GLN 87 HA GLN 87 -10.394 13.145 -10.370 739 HB2 GLN 87 HB2 GLN 87 -12.809 12.009 -9.820 740 HB3 GLN 87 HB3 GLN 87 -11.444 11.188 -10.544 741 HG2 GLN 87 HG2 GLN 87 -12.458 9.809 -8.822 742 HG3 GLN 87 HG3 GLN 87 -10.795 10.197 -8.439 743 HE21 GLN 87 HE21 GLN 87 -10.600 10.410 -6.220 744 HE22 GLN 87 HE22 GLN 87 -11.695 11.303 -5.204 Start of MODEL 11 1 H1 GLY 1 HN GLY 1 -17.197 -7.803 -4.690 2 HA2 GLY 1 HA1 GLY 1 -17.951 -10.273 -6.126 3 HA3 GLY 1 HA2 GLY 1 -16.393 -9.452 -6.365 4 H GLU 2 HN GLU 2 -15.042 -9.147 -4.295 5 HA GLU 2 HA GLU 2 -15.683 -10.787 -2.031 6 HB2 GLU 2 HB2 GLU 2 -13.847 -12.281 -2.109 7 HB3 GLU 2 HB3 GLU 2 -14.574 -12.372 -3.697 8 HG2 GLU 2 HG2 GLU 2 -12.783 -10.446 -4.224 9 HG3 GLU 2 HG3 GLU 2 -11.934 -11.186 -2.875 10 H GLU 3 HN GLU 3 -13.242 -10.345 -0.653 11 HA GLU 3 HA GLU 3 -12.865 -7.388 -0.849 12 HB2 GLU 3 HB2 GLU 3 -12.057 -9.450 1.245 13 HB3 GLU 3 HB3 GLU 3 -11.386 -7.803 1.179 14 HG2 GLU 3 HG2 GLU 3 -13.653 -6.844 1.361 15 HG3 GLU 3 HG3 GLU 3 -14.362 -8.453 1.374 16 H THR 4 HN THR 4 -10.680 -10.220 -0.359 17 HA THR 4 HA THR 4 -9.283 -9.591 -2.861 18 HB THR 4 HB THR 4 -7.117 -10.193 -1.402 19 HG1 THR 4 HG1 THR 4 -8.676 -8.687 0.417 20 HG21 THR 4 HG21 THR 4 -8.344 -7.443 -1.605 21 HG22 THR 4 HG22 THR 4 -7.298 -8.226 -2.802 22 HG23 THR 4 HG23 THR 4 -6.641 -7.778 -1.216 23 HA PRO 5 HA PRO 5 -9.344 -13.976 -3.186 24 HB2 PRO 5 HB2 PRO 5 -7.110 -14.621 -4.627 25 HB3 PRO 5 HB3 PRO 5 -8.466 -13.677 -5.318 26 HG2 PRO 5 HG2 PRO 5 -5.885 -12.605 -4.117 27 HG3 PRO 5 HG3 PRO 5 -6.610 -12.200 -5.701 28 HD2 PRO 5 HD2 PRO 5 -7.007 -10.632 -3.544 29 HD3 PRO 5 HD3 PRO 5 -8.342 -10.935 -4.696 30 H LEU 6 HN LEU 6 -6.516 -12.542 -1.616 31 HA LEU 6 HA LEU 6 -5.615 -15.098 -0.480 32 HB2 LEU 6 HB2 LEU 6 -4.012 -13.630 0.818 33 HB3 LEU 6 HB3 LEU 6 -3.782 -13.893 -0.895 34 HG LEU 6 HG LEU 6 -4.557 -11.652 -1.440 35 HD11 LEU 6 HD11 LEU 6 -4.933 -9.920 0.211 36 HD12 LEU 6 HD12 LEU 6 -4.751 -11.116 1.549 37 HD13 LEU 6 HD13 LEU 6 -6.127 -11.196 0.439 38 HD21 LEU 6 HD21 LEU 6 -2.192 -12.054 -0.972 39 HD22 LEU 6 HD22 LEU 6 -2.444 -11.766 0.754 40 HD23 LEU 6 HD23 LEU 6 -2.635 -10.440 -0.405 41 H VAL 7 HN VAL 7 -7.779 -15.496 0.292 42 HA VAL 7 HA VAL 7 -8.752 -14.083 2.630 43 HB VAL 7 HB VAL 7 -10.427 -15.863 2.696 44 HG11 VAL 7 HG11 VAL 7 -11.479 -15.367 0.561 45 HG12 VAL 7 HG12 VAL 7 -10.689 -13.911 1.184 46 HG13 VAL 7 HG13 VAL 7 -9.955 -14.833 -0.144 47 HG21 VAL 7 HG21 VAL 7 -10.496 -17.610 0.954 48 HG22 VAL 7 HG22 VAL 7 -8.904 -17.106 0.370 49 HG23 VAL 7 HG23 VAL 7 -9.078 -17.808 1.992 50 H THR 8 HN THR 8 -5.993 -15.769 2.428 51 HA THR 8 HA THR 8 -6.016 -16.312 5.263 52 HB THR 8 HB THR 8 -4.352 -18.348 4.257 53 HG1 THR 8 HG1 THR 8 -6.035 -19.657 3.210 54 HG21 THR 8 HG21 THR 8 -7.134 -18.553 5.461 55 HG22 THR 8 HG22 THR 8 -5.618 -18.294 6.357 56 HG23 THR 8 HG23 THR 8 -5.865 -19.808 5.471 57 H ALA 9 HN ALA 9 -3.634 -16.557 5.991 58 HA ALA 9 HA ALA 9 -2.575 -14.011 5.153 59 HB1 ALA 9 HB1 ALA 9 -1.623 -16.036 7.231 60 HB2 ALA 9 HB2 ALA 9 -1.194 -14.311 7.174 61 HB3 ALA 9 HB3 ALA 9 -2.868 -14.813 7.521 62 H ARG 10 HN ARG 10 -2.148 -16.702 3.602 63 HA ARG 10 HA ARG 10 0.718 -17.126 3.891 64 HB2 ARG 10 HB2 ARG 10 0.245 -19.318 3.078 65 HB3 ARG 10 HB3 ARG 10 -0.835 -18.900 4.389 66 HG2 ARG 10 HG2 ARG 10 -2.624 -19.401 3.124 67 HG3 ARG 10 HG3 ARG 10 -2.176 -18.151 1.968 68 HD2 ARG 10 HD2 ARG 10 -0.501 -20.023 1.062 69 HD3 ARG 10 HD3 ARG 10 -1.607 -21.111 1.900 70 HE ARG 10 HE ARG 10 -3.353 -20.514 0.436 71 HH11 ARG 10 HH11 ARG 10 -0.352 -18.763 -0.419 72 HH12 ARG 10 HH12 ARG 10 -1.033 -18.194 -1.921 73 HH21 ARG 10 HH21 ARG 10 -4.265 -19.392 -1.326 74 HH22 ARG 10 HH22 ARG 10 -3.357 -18.158 -2.166 75 H HIS 11 HN HIS 11 -0.008 -14.879 2.146 76 HA HIS 11 HA HIS 11 2.013 -15.399 0.270 77 HB2 HIS 11 HB2 HIS 11 -0.046 -16.489 -0.902 78 HB3 HIS 11 HB3 HIS 11 -0.701 -14.899 -1.094 79 HD1 HIS 11 HD1 HIS 11 -0.017 -16.839 -3.568 80 HD2 HIS 11 HD2 HIS 11 2.595 -13.976 -1.899 81 HE1 HIS 11 HE1 HIS 11 1.626 -16.250 -5.362 82 H MET 12 HN MET 12 2.878 -13.506 1.347 83 HA MET 12 HA MET 12 1.645 -10.971 0.460 84 HB2 MET 12 HB2 MET 12 1.917 -11.897 3.313 85 HB3 MET 12 HB3 MET 12 1.936 -10.161 2.900 86 HG2 MET 12 HG2 MET 12 -0.258 -10.700 1.572 87 HG3 MET 12 HG3 MET 12 -0.296 -12.167 2.547 88 HE1 MET 12 HE1 MET 12 -1.088 -7.818 3.884 89 HE2 MET 12 HE2 MET 12 0.510 -8.275 3.278 90 HE3 MET 12 HE3 MET 12 -0.914 -8.421 2.220 91 H SER 13 HN SER 13 3.035 -9.280 0.233 92 HA SER 13 HA SER 13 5.900 -9.875 0.336 93 HB2 SER 13 HB2 SER 13 4.596 -7.219 -0.352 94 HB3 SER 13 HB3 SER 13 6.178 -7.791 -0.778 95 HG SER 13 HG SER 13 5.150 -8.304 -2.540 96 H LYS 14 HN LYS 14 7.312 -8.097 1.220 97 HA LYS 14 HA LYS 14 7.242 -7.969 4.029 98 HB2 LYS 14 HB2 LYS 14 9.285 -7.674 2.831 99 HB3 LYS 14 HB3 LYS 14 8.682 -6.262 1.983 100 HG2 LYS 14 HG2 LYS 14 10.193 -5.451 3.467 101 HG3 LYS 14 HG3 LYS 14 8.667 -5.020 4.201 102 HD2 LYS 14 HD2 LYS 14 10.213 -7.514 5.050 103 HD3 LYS 14 HD3 LYS 14 10.647 -5.905 5.634 104 HE2 LYS 14 HE2 LYS 14 8.280 -5.606 6.438 105 HE3 LYS 14 HE3 LYS 14 7.993 -7.314 6.083 106 HZ1 LYS 14 HZ1 LYS 14 9.911 -7.779 7.611 107 HZ2 LYS 14 HZ2 LYS 14 8.627 -7.091 8.360 108 HZ3 LYS 14 HZ3 LYS 14 9.966 -6.193 7.995 109 H TRP 15 HN TRP 15 6.509 -5.255 1.810 110 HA TRP 15 HA TRP 15 5.372 -3.703 4.058 111 HB2 TRP 15 HB2 TRP 15 5.885 -2.869 1.172 112 HB3 TRP 15 HB3 TRP 15 5.639 -1.833 2.560 113 HD1 TRP 15 HD1 TRP 15 8.290 -3.644 0.618 114 HE1 TRP 15 HE1 TRP 15 10.608 -3.227 1.577 115 HE3 TRP 15 HE3 TRP 15 6.963 -1.105 4.908 116 HZ2 TRP 15 HZ2 TRP 15 11.722 -2.091 4.031 117 HZ3 TRP 15 HZ3 TRP 15 8.622 -0.557 6.567 118 HH2 TRP 15 HH2 TRP 15 11.041 -1.050 6.164 119 H GLU 16 HN GLU 16 4.069 -5.948 2.034 120 HA GLU 16 HA GLU 16 1.904 -4.610 0.784 121 HB2 GLU 16 HB2 GLU 16 3.014 -7.276 0.995 122 HB3 GLU 16 HB3 GLU 16 1.354 -7.431 1.342 123 HG2 GLU 16 HG2 GLU 16 1.252 -5.797 -0.890 124 HG3 GLU 16 HG3 GLU 16 2.713 -6.770 -1.176 125 H GLU 17 HN GLU 17 2.317 -5.260 4.024 126 HA GLU 17 HA GLU 17 -0.552 -5.187 4.626 127 HB2 GLU 17 HB2 GLU 17 -0.306 -6.420 6.426 128 HB3 GLU 17 HB3 GLU 17 1.094 -7.002 5.470 129 HG2 GLU 17 HG2 GLU 17 2.461 -5.440 6.443 130 HG3 GLU 17 HG3 GLU 17 1.214 -4.768 7.475 131 H ILE 18 HN ILE 18 2.401 -3.351 4.833 132 HA ILE 18 HA ILE 18 1.475 -1.648 7.056 133 HB ILE 18 HB ILE 18 3.936 -1.308 5.306 134 HG12 ILE 18 HG12 ILE 18 3.767 -2.957 7.877 135 HG13 ILE 18 HG13 ILE 18 3.849 -3.668 6.275 136 HG21 ILE 18 HG21 ILE 18 3.081 -0.423 8.107 137 HG22 ILE 18 HG22 ILE 18 4.731 -0.247 7.499 138 HG23 ILE 18 HG23 ILE 18 3.393 0.600 6.702 139 HD11 ILE 18 HD11 ILE 18 6.066 -1.996 7.453 140 HD12 ILE 18 HD12 ILE 18 6.013 -3.761 7.233 141 HD13 ILE 18 HD13 ILE 18 5.995 -2.725 5.833 142 H ALA 19 HN ALA 19 1.750 -1.503 3.576 143 HA ALA 19 HA ALA 19 0.758 1.128 3.203 144 HB1 ALA 19 HB1 ALA 19 0.401 -1.409 1.544 145 HB2 ALA 19 HB2 ALA 19 -0.040 0.219 0.991 146 HB3 ALA 19 HB3 ALA 19 1.656 -0.153 1.365 147 H VAL 20 HN VAL 20 -0.967 -1.994 3.649 148 HA VAL 20 HA VAL 20 -3.583 -1.000 3.424 149 HB VAL 20 HB VAL 20 -2.648 -3.292 5.241 150 HG11 VAL 20 HG11 VAL 20 -4.871 -4.254 4.828 151 HG12 VAL 20 HG12 VAL 20 -4.964 -2.685 5.635 152 HG13 VAL 20 HG13 VAL 20 -5.323 -2.803 3.895 153 HG21 VAL 20 HG21 VAL 20 -3.333 -3.551 2.316 154 HG22 VAL 20 HG22 VAL 20 -1.701 -3.633 3.031 155 HG23 VAL 20 HG23 VAL 20 -2.888 -4.844 3.465 156 H LYS 21 HN LYS 21 -1.486 -1.413 6.337 157 HA LYS 21 HA LYS 21 -3.384 -0.694 8.232 158 HB2 LYS 21 HB2 LYS 21 -0.361 -0.228 8.246 159 HB3 LYS 21 HB3 LYS 21 -1.373 0.093 9.653 160 HG2 LYS 21 HG2 LYS 21 -2.024 -2.234 9.831 161 HG3 LYS 21 HG3 LYS 21 -1.231 -2.621 8.307 162 HD2 LYS 21 HD2 LYS 21 0.906 -1.626 9.572 163 HD3 LYS 21 HD3 LYS 21 -0.021 -2.077 11.011 164 HE2 LYS 21 HE2 LYS 21 -0.060 -4.187 8.957 165 HE3 LYS 21 HE3 LYS 21 1.595 -3.688 9.298 166 HZ1 LYS 21 HZ1 LYS 21 1.256 -4.226 11.596 167 HZ2 LYS 21 HZ2 LYS 21 0.903 -5.525 10.610 168 HZ3 LYS 21 HZ3 LYS 21 -0.308 -4.663 11.329 169 H GLU 22 HN GLU 22 -0.922 1.535 6.763 170 HA GLU 22 HA GLU 22 -1.969 3.888 7.966 171 HB2 GLU 22 HB2 GLU 22 -0.321 3.385 5.497 172 HB3 GLU 22 HB3 GLU 22 -0.938 4.991 5.929 173 HG2 GLU 22 HG2 GLU 22 0.221 3.867 8.252 174 HG3 GLU 22 HG3 GLU 22 1.387 3.697 6.985 175 H ALA 23 HN ALA 23 -2.712 2.348 4.788 176 HA ALA 23 HA ALA 23 -4.543 4.324 3.920 177 HB1 ALA 23 HB1 ALA 23 -5.242 2.638 2.287 178 HB2 ALA 23 HB2 ALA 23 -3.477 2.716 2.416 179 HB3 ALA 23 HB3 ALA 23 -4.365 1.382 3.188 180 H LYS 24 HN LYS 24 -5.010 2.168 6.582 181 HA LYS 24 HA LYS 24 -7.938 2.712 6.308 182 HB2 LYS 24 HB2 LYS 24 -8.523 1.045 7.626 183 HB3 LYS 24 HB3 LYS 24 -7.099 0.345 6.866 184 HG2 LYS 24 HG2 LYS 24 -5.793 0.748 8.940 185 HG3 LYS 24 HG3 LYS 24 -7.186 1.591 9.644 186 HD2 LYS 24 HD2 LYS 24 -7.158 -0.620 10.546 187 HD3 LYS 24 HD3 LYS 24 -8.514 -0.497 9.411 188 HE2 LYS 24 HE2 LYS 24 -6.843 -1.522 7.673 189 HE3 LYS 24 HE3 LYS 24 -5.855 -1.942 9.078 190 HZ1 LYS 24 HZ1 LYS 24 -7.287 -3.727 8.501 191 HZ2 LYS 24 HZ2 LYS 24 -8.622 -2.770 8.501 192 HZ3 LYS 24 HZ3 LYS 24 -7.865 -3.142 9.925 193 H LYS 25 HN LYS 25 -5.067 3.520 8.267 194 HA LYS 25 HA LYS 25 -6.536 4.819 10.375 195 HB2 LYS 25 HB2 LYS 25 -3.850 5.915 9.513 196 HB3 LYS 25 HB3 LYS 25 -4.546 5.807 11.110 197 HG2 LYS 25 HG2 LYS 25 -3.289 3.636 9.466 198 HG3 LYS 25 HG3 LYS 25 -2.627 4.407 10.872 199 HD2 LYS 25 HD2 LYS 25 -5.207 3.045 11.419 200 HD3 LYS 25 HD3 LYS 25 -3.994 1.975 10.736 201 HE2 LYS 25 HE2 LYS 25 -3.842 1.926 13.165 202 HE3 LYS 25 HE3 LYS 25 -2.357 2.592 12.445 203 HZ1 LYS 25 HZ1 LYS 25 -2.791 4.615 13.323 204 HZ2 LYS 25 HZ2 LYS 25 -3.535 3.710 14.450 205 HZ3 LYS 25 HZ3 LYS 25 -4.452 4.438 13.319 206 H ARG 26 HN ARG 26 -5.001 6.089 7.396 207 HA ARG 26 HA ARG 26 -5.780 8.787 7.940 208 HB2 ARG 26 HB2 ARG 26 -3.822 8.080 6.583 209 HB3 ARG 26 HB3 ARG 26 -4.906 7.491 5.326 210 HG2 ARG 26 HG2 ARG 26 -5.278 9.559 4.493 211 HG3 ARG 26 HG3 ARG 26 -5.476 10.307 6.084 212 HD2 ARG 26 HD2 ARG 26 -3.220 10.691 6.414 213 HD3 ARG 26 HD3 ARG 26 -2.739 9.553 5.139 214 HE ARG 26 HE ARG 26 -4.392 11.604 4.037 215 HH11 ARG 26 HH11 ARG 26 -1.144 11.140 5.336 216 HH12 ARG 26 HH12 ARG 26 -0.331 11.928 4.014 217 HH21 ARG 26 HH21 ARG 26 -3.403 12.950 2.485 218 HH22 ARG 26 HH22 ARG 26 -1.686 13.220 2.496 219 H TYR 27 HN TYR 27 -7.956 6.403 7.310 220 HA TYR 27 HA TYR 27 -9.701 8.105 5.625 221 HB2 TYR 27 HB2 TYR 27 -8.932 5.224 5.067 222 HB3 TYR 27 HB3 TYR 27 -10.308 6.057 4.344 223 HD1 TYR 27 HD1 TYR 27 -9.936 8.133 2.932 224 HD2 TYR 27 HD2 TYR 27 -6.692 5.620 4.221 225 HE1 TYR 27 HE1 TYR 27 -8.432 9.225 1.300 226 HE2 TYR 27 HE2 TYR 27 -5.221 6.584 2.510 227 HH TYR 27 HH TYR 27 -5.290 8.033 0.406 228 HA PRO 28 HA PRO 28 -11.404 6.365 9.551 229 HB2 PRO 28 HB2 PRO 28 -12.409 8.714 10.548 230 HB3 PRO 28 HB3 PRO 28 -10.687 8.233 10.722 231 HG2 PRO 28 HG2 PRO 28 -11.916 10.088 8.657 232 HG3 PRO 28 HG3 PRO 28 -10.434 10.342 9.625 233 HD2 PRO 28 HD2 PRO 28 -10.319 9.464 7.111 234 HD3 PRO 28 HD3 PRO 28 -9.197 8.889 8.392 235 H LEU 29 HN LEU 29 -12.604 8.055 6.793 236 HA LEU 29 HA LEU 29 -15.403 7.232 7.306 237 HB2 LEU 29 HB2 LEU 29 -14.286 9.561 5.732 238 HB3 LEU 29 HB3 LEU 29 -15.913 8.919 5.473 239 HG LEU 29 HG LEU 29 -16.622 9.429 7.675 240 HD11 LEU 29 HD11 LEU 29 -14.557 9.337 8.916 241 HD12 LEU 29 HD12 LEU 29 -15.231 10.966 9.095 242 HD13 LEU 29 HD13 LEU 29 -13.880 10.699 7.976 243 HD21 LEU 29 HD21 LEU 29 -16.778 11.841 7.327 244 HD22 LEU 29 HD22 LEU 29 -16.929 11.004 5.791 245 HD23 LEU 29 HD23 LEU 29 -15.396 11.803 6.205 246 H ALA 30 HN ALA 30 -13.442 5.376 6.469 247 HA ALA 30 HA ALA 30 -14.855 4.163 4.410 248 HB1 ALA 30 HB1 ALA 30 -13.081 4.052 2.601 249 HB2 ALA 30 HB2 ALA 30 -13.835 5.616 2.733 250 HB3 ALA 30 HB3 ALA 30 -12.239 5.400 3.425 251 H GLN 31 HN GLN 31 -13.646 2.108 3.614 252 HA GLN 31 HA GLN 31 -11.649 1.085 5.596 253 HB2 GLN 31 HB2 GLN 31 -14.082 -0.360 4.445 254 HB3 GLN 31 HB3 GLN 31 -12.786 -1.131 5.375 255 HG2 GLN 31 HG2 GLN 31 -14.796 0.913 6.338 256 HG3 GLN 31 HG3 GLN 31 -14.664 -0.771 6.822 257 HE21 GLN 31 HE21 GLN 31 -14.008 2.213 7.686 258 HE22 GLN 31 HE22 GLN 31 -12.605 2.114 8.727 259 H VAL 32 HN VAL 32 -9.914 0.008 4.643 260 HA VAL 32 HA VAL 32 -9.890 0.030 1.684 261 HB VAL 32 HB VAL 32 -8.157 1.322 2.609 262 HG11 VAL 32 HG11 VAL 32 -6.463 0.510 4.106 263 HG12 VAL 32 HG12 VAL 32 -8.089 0.658 4.786 264 HG13 VAL 32 HG13 VAL 32 -7.410 -0.957 4.377 265 HG21 VAL 32 HG21 VAL 32 -7.510 -0.077 0.665 266 HG22 VAL 32 HG22 VAL 32 -6.149 0.307 1.719 267 HG23 VAL 32 HG23 VAL 32 -6.882 -1.311 1.781 268 H LEU 33 HN LEU 33 -10.026 -1.935 0.580 269 HA LEU 33 HA LEU 33 -9.798 -4.425 2.211 270 HB2 LEU 33 HB2 LEU 33 -11.801 -4.536 0.133 271 HB3 LEU 33 HB3 LEU 33 -11.858 -5.076 1.772 272 HG LEU 33 HG LEU 33 -12.173 -2.093 1.188 273 HD11 LEU 33 HD11 LEU 33 -14.569 -2.521 1.060 274 HD12 LEU 33 HD12 LEU 33 -14.227 -4.234 0.724 275 HD13 LEU 33 HD13 LEU 33 -13.629 -2.933 -0.372 276 HD21 LEU 33 HD21 LEU 33 -11.992 -2.774 3.557 277 HD22 LEU 33 HD22 LEU 33 -13.357 -3.898 3.339 278 HD23 LEU 33 HD23 LEU 33 -13.590 -2.144 3.181 279 H PHE 34 HN PHE 34 -8.799 -2.896 -0.645 280 HA PHE 34 HA PHE 34 -8.325 -5.404 -2.115 281 HB2 PHE 34 HB2 PHE 34 -8.914 -2.717 -2.813 282 HB3 PHE 34 HB3 PHE 34 -7.245 -2.938 -3.275 283 HD1 PHE 34 HD2 PHE 34 -10.109 -5.399 -3.338 284 HD2 PHE 34 HD1 PHE 34 -7.315 -3.027 -5.627 285 HE1 PHE 34 HE2 PHE 34 -10.842 -6.526 -5.399 286 HE2 PHE 34 HE1 PHE 34 -8.077 -4.160 -7.692 287 HZ PHE 34 HZ PHE 34 -9.786 -5.941 -7.591 288 H LYS 35 HN LYS 35 -6.120 -5.780 -3.108 289 HA LYS 35 HA LYS 35 -3.821 -4.441 -1.955 290 HB2 LYS 35 HB2 LYS 35 -4.145 -7.433 -1.394 291 HB3 LYS 35 HB3 LYS 35 -2.744 -6.439 -1.033 292 HG2 LYS 35 HG2 LYS 35 -4.164 -5.221 0.670 293 HG3 LYS 35 HG3 LYS 35 -5.414 -6.456 0.364 294 HD2 LYS 35 HD2 LYS 35 -3.488 -8.192 0.781 295 HD3 LYS 35 HD3 LYS 35 -2.585 -6.820 1.411 296 HE2 LYS 35 HE2 LYS 35 -3.515 -7.873 3.298 297 HE3 LYS 35 HE3 LYS 35 -4.499 -6.424 3.044 298 HZ1 LYS 35 HZ1 LYS 35 -5.814 -8.365 3.548 299 HZ2 LYS 35 HZ2 LYS 35 -5.317 -9.151 2.177 300 HZ3 LYS 35 HZ3 LYS 35 -6.214 -7.774 2.101 301 H GLN 36 HN GLN 36 -3.371 -4.015 -4.350 302 HA GLN 36 HA GLN 36 -2.951 -6.527 -5.913 303 HB2 GLN 36 HB2 GLN 36 -2.961 -5.383 -7.882 304 HB3 GLN 36 HB3 GLN 36 -4.405 -4.890 -7.017 305 HG2 GLN 36 HG2 GLN 36 -3.823 -2.692 -6.986 306 HG3 GLN 36 HG3 GLN 36 -2.108 -3.011 -6.703 307 HE21 GLN 36 HE21 GLN 36 -3.569 -4.529 -9.568 308 HE22 GLN 36 HE22 GLN 36 -2.705 -3.535 -10.716 309 H LYS 37 HN LYS 37 -0.958 -6.308 -7.451 310 HA LYS 37 HA LYS 37 1.441 -5.451 -5.906 311 HB2 LYS 37 HB2 LYS 37 0.868 -7.030 -8.428 312 HB3 LYS 37 HB3 LYS 37 2.379 -6.150 -8.353 313 HG2 LYS 37 HG2 LYS 37 2.735 -8.421 -7.826 314 HG3 LYS 37 HG3 LYS 37 3.086 -7.459 -6.384 315 HD2 LYS 37 HD2 LYS 37 0.397 -8.801 -6.808 316 HD3 LYS 37 HD3 LYS 37 1.796 -9.728 -6.241 317 HE2 LYS 37 HE2 LYS 37 2.083 -8.197 -4.323 318 HE3 LYS 37 HE3 LYS 37 0.705 -7.232 -4.882 319 HZ1 LYS 37 HZ1 LYS 37 -0.031 -8.701 -3.238 320 HZ2 LYS 37 HZ2 LYS 37 0.598 -10.024 -3.960 321 HZ3 LYS 37 HZ3 LYS 37 -0.669 -9.222 -4.664 322 H VAL 38 HN VAL 38 2.866 -3.833 -6.930 323 HA VAL 38 HA VAL 38 1.806 -2.616 -9.372 324 HB VAL 38 HB VAL 38 2.344 -0.354 -8.753 325 HG11 VAL 38 HG11 VAL 38 0.563 -1.583 -6.597 326 HG12 VAL 38 HG12 VAL 38 0.634 0.134 -7.040 327 HG13 VAL 38 HG13 VAL 38 0.060 -1.057 -8.197 328 HG21 VAL 38 HG21 VAL 38 2.883 0.282 -6.401 329 HG22 VAL 38 HG22 VAL 38 3.061 -1.442 -6.031 330 HG23 VAL 38 HG23 VAL 38 4.171 -0.645 -7.157 331 H TRP 39 HN TRP 39 4.005 -0.926 -9.847 332 HA TRP 39 HA TRP 39 6.057 -2.698 -10.729 333 HB2 TRP 39 HB2 TRP 39 5.555 -0.478 -11.672 334 HB3 TRP 39 HB3 TRP 39 6.006 0.280 -10.157 335 HD1 TRP 39 HD1 TRP 39 7.728 -1.911 -12.868 336 HE1 TRP 39 HE1 TRP 39 10.103 -0.949 -13.271 337 HE3 TRP 39 HE3 TRP 39 7.796 1.662 -9.215 338 HZ2 TRP 39 HZ2 TRP 39 11.640 1.300 -12.359 339 HZ3 TRP 39 HZ3 TRP 39 9.709 3.219 -9.004 340 HH2 TRP 39 HH2 TRP 39 11.612 3.080 -10.603 341 H ASP 40 HN ASP 40 8.118 -3.069 -9.889 342 HA ASP 40 HA ASP 40 8.527 -2.581 -6.973 343 HB2 ASP 40 HB2 ASP 40 7.548 -4.828 -7.468 344 HB3 ASP 40 HB3 ASP 40 8.959 -5.212 -8.458 345 H ARG 41 HN ARG 41 10.466 -1.469 -6.809 346 HA ARG 41 HA ARG 41 12.698 -2.372 -8.449 347 HB2 ARG 41 HB2 ARG 41 11.276 -0.635 -9.754 348 HB3 ARG 41 HB3 ARG 41 11.911 0.561 -8.642 349 HG2 ARG 41 HG2 ARG 41 14.002 -1.192 -9.870 350 HG3 ARG 41 HG3 ARG 41 13.011 -0.347 -11.051 351 HD2 ARG 41 HD2 ARG 41 13.479 1.804 -9.823 352 HD3 ARG 41 HD3 ARG 41 14.671 0.939 -8.850 353 HE ARG 41 HE ARG 41 14.785 1.824 -11.618 354 HH11 ARG 41 HH11 ARG 41 16.523 -0.342 -9.341 355 HH12 ARG 41 HH12 ARG 41 17.521 -1.012 -10.576 356 HH21 ARG 41 HH21 ARG 41 16.200 0.982 -13.196 357 HH22 ARG 41 HH22 ARG 41 17.416 -0.173 -12.757 358 H LYS 42 HN LYS 42 14.754 -1.737 -7.517 359 HA LYS 42 HA LYS 42 14.554 -0.019 -5.111 360 HB2 LYS 42 HB2 LYS 42 14.891 -2.102 -4.234 361 HB3 LYS 42 HB3 LYS 42 15.941 -2.652 -5.532 362 HG2 LYS 42 HG2 LYS 42 16.905 -0.477 -3.708 363 HG3 LYS 42 HG3 LYS 42 16.826 -2.139 -3.110 364 HD2 LYS 42 HD2 LYS 42 18.273 -2.945 -4.902 365 HD3 LYS 42 HD3 LYS 42 18.295 -1.346 -5.643 366 HE2 LYS 42 HE2 LYS 42 19.259 -0.473 -3.426 367 HE3 LYS 42 HE3 LYS 42 19.451 -2.167 -2.940 368 HZ1 LYS 42 HZ1 LYS 42 20.873 -2.472 -4.863 369 HZ2 LYS 42 HZ2 LYS 42 21.455 -1.282 -3.881 370 HZ3 LYS 42 HZ3 LYS 42 20.683 -0.908 -5.303 371 H ARG 43 HN ARG 43 16.388 1.243 -4.724 372 HA ARG 43 HA ARG 43 17.502 2.205 -7.292 373 HB2 ARG 43 HB2 ARG 43 16.718 3.975 -4.943 374 HB3 ARG 43 HB3 ARG 43 17.611 4.466 -6.371 375 HG2 ARG 43 HG2 ARG 43 15.586 5.131 -7.015 376 HG3 ARG 43 HG3 ARG 43 15.662 3.554 -7.779 377 HD2 ARG 43 HD2 ARG 43 13.740 3.032 -6.757 378 HD3 ARG 43 HD3 ARG 43 14.614 3.056 -5.221 379 HE ARG 43 HE ARG 43 13.655 5.101 -4.667 380 HH11 ARG 43 HH11 ARG 43 12.973 4.603 -8.171 381 HH12 ARG 43 HH12 ARG 43 11.887 5.964 -8.179 382 HH21 ARG 43 HH21 ARG 43 12.307 6.821 -4.837 383 HH22 ARG 43 HH22 ARG 43 11.597 7.308 -6.351 384 H LYS 44 HN LYS 44 19.486 4.045 -5.906 385 HA LYS 44 HA LYS 44 21.462 1.881 -5.434 386 HB2 LYS 44 HB2 LYS 44 21.664 4.913 -5.523 387 HB3 LYS 44 HB3 LYS 44 22.999 3.855 -5.040 388 HG2 LYS 44 HG2 LYS 44 22.917 2.677 -7.215 389 HG3 LYS 44 HG3 LYS 44 21.558 3.712 -7.730 390 HD2 LYS 44 HD2 LYS 44 22.957 5.695 -7.413 391 HD3 LYS 44 HD3 LYS 44 24.337 4.673 -6.943 392 HE2 LYS 44 HE2 LYS 44 24.197 3.588 -9.236 393 HE3 LYS 44 HE3 LYS 44 22.969 4.801 -9.653 394 HZ1 LYS 44 HZ1 LYS 44 24.901 5.751 -10.389 395 HZ2 LYS 44 HZ2 LYS 44 25.813 5.206 -9.115 396 HZ3 LYS 44 HZ3 LYS 44 24.769 6.442 -8.892 397 H ASP 45 HN ASP 45 19.844 4.519 -3.661 398 HA ASP 45 HA ASP 45 20.704 3.419 -1.049 399 HB2 ASP 45 HB2 ASP 45 20.991 5.864 -0.454 400 HB3 ASP 45 HB3 ASP 45 22.194 5.166 -1.522 401 H GLU 46 HN GLU 46 18.053 3.523 -2.790 402 HA GLU 46 HA GLU 46 16.469 3.723 -0.409 403 HB2 GLU 46 HB2 GLU 46 16.509 6.036 -1.905 404 HB3 GLU 46 HB3 GLU 46 15.167 5.186 -2.667 405 HG2 GLU 46 HG2 GLU 46 13.971 5.060 -0.560 406 HG3 GLU 46 HG3 GLU 46 15.409 5.551 0.356 407 H ALA 47 HN ALA 47 14.153 2.843 -1.069 408 HA ALA 47 HA ALA 47 14.119 1.337 -3.581 409 HB1 ALA 47 HB1 ALA 47 15.231 -0.177 -1.931 410 HB2 ALA 47 HB2 ALA 47 13.884 0.075 -0.819 411 HB3 ALA 47 HB3 ALA 47 13.613 -0.767 -2.372 412 H VAL 48 HN VAL 48 11.941 0.720 -4.174 413 HA VAL 48 HA VAL 48 9.829 2.022 -2.591 414 HB VAL 48 HB VAL 48 8.889 2.874 -4.774 415 HG11 VAL 48 HG11 VAL 48 11.513 4.067 -3.874 416 HG12 VAL 48 HG12 VAL 48 10.204 4.918 -4.729 417 HG13 VAL 48 HG13 VAL 48 9.945 4.315 -3.084 418 HG21 VAL 48 HG21 VAL 48 10.413 3.345 -6.638 419 HG22 VAL 48 HG22 VAL 48 11.703 2.419 -5.848 420 HG23 VAL 48 HG23 VAL 48 10.231 1.602 -6.404 421 H LYS 49 HN LYS 49 8.182 0.859 -2.265 422 HA LYS 49 HA LYS 49 7.377 -1.308 -4.068 423 HB2 LYS 49 HB2 LYS 49 9.278 -2.083 -2.662 424 HB3 LYS 49 HB3 LYS 49 8.352 -1.811 -1.205 425 HG2 LYS 49 HG2 LYS 49 7.224 -3.730 -1.415 426 HG3 LYS 49 HG3 LYS 49 7.037 -3.599 -3.187 427 HD2 LYS 49 HD2 LYS 49 9.305 -4.220 -3.544 428 HD3 LYS 49 HD3 LYS 49 9.727 -4.146 -1.822 429 HE2 LYS 49 HE2 LYS 49 8.634 -6.124 -1.308 430 HE3 LYS 49 HE3 LYS 49 7.557 -6.044 -2.728 431 HZ1 LYS 49 HZ1 LYS 49 9.335 -6.574 -4.137 432 HZ2 LYS 49 HZ2 LYS 49 9.330 -7.710 -2.934 433 HZ3 LYS 49 HZ3 LYS 49 10.463 -6.510 -2.947 434 H GLN 50 HN GLN 50 6.080 0.723 -4.061 435 HA GLN 50 HA GLN 50 4.169 1.284 -1.959 436 HB2 GLN 50 HB2 GLN 50 4.023 1.768 -4.981 437 HB3 GLN 50 HB3 GLN 50 3.047 2.531 -3.771 438 HG2 GLN 50 HG2 GLN 50 4.536 4.234 -3.923 439 HG3 GLN 50 HG3 GLN 50 5.565 3.262 -2.874 440 HE21 GLN 50 HE21 GLN 50 6.169 5.280 -5.202 441 HE22 GLN 50 HE22 GLN 50 7.114 4.338 -6.323 442 H TYR 51 HN TYR 51 1.743 0.999 -2.771 443 HA TYR 51 HA TYR 51 1.306 -1.202 -4.542 444 HB2 TYR 51 HB2 TYR 51 -0.056 -1.300 -1.823 445 HB3 TYR 51 HB3 TYR 51 -0.278 -2.421 -3.154 446 HD1 TYR 51 HD1 TYR 51 1.584 -4.057 -3.749 447 HD2 TYR 51 HD2 TYR 51 1.893 -1.331 -0.456 448 HE1 TYR 51 HE1 TYR 51 3.606 -5.261 -2.956 449 HE2 TYR 51 HE2 TYR 51 3.893 -2.451 0.343 450 HH TYR 51 HH TYR 51 5.553 -3.886 -0.418 451 H HIS 52 HN HIS 52 -1.142 -1.281 -4.874 452 HA HIS 52 HA HIS 52 -2.442 1.367 -4.626 453 HB2 HIS 52 HB2 HIS 52 -1.719 1.038 -6.954 454 HB3 HIS 52 HB3 HIS 52 -2.370 -0.583 -6.952 455 HD1 HIS 52 HD1 HIS 52 -4.248 2.706 -5.957 456 HD2 HIS 52 HD2 HIS 52 -4.233 -0.477 -8.722 457 HE1 HIS 52 HE1 HIS 52 -6.237 3.074 -7.492 458 H LEU 53 HN LEU 53 -4.481 1.146 -3.806 459 HA LEU 53 HA LEU 53 -5.595 -1.538 -3.348 460 HB2 LEU 53 HB2 LEU 53 -5.688 0.475 -1.092 461 HB3 LEU 53 HB3 LEU 53 -6.038 -1.234 -1.068 462 HG LEU 53 HG LEU 53 -3.314 -1.227 -1.728 463 HD11 LEU 53 HD11 LEU 53 -3.319 1.267 -1.268 464 HD12 LEU 53 HD12 LEU 53 -2.201 0.315 -0.271 465 HD13 LEU 53 HD13 LEU 53 -3.734 0.875 0.426 466 HD21 LEU 53 HD21 LEU 53 -4.667 -1.539 0.958 467 HD22 LEU 53 HD22 LEU 53 -2.906 -1.675 0.752 468 HD23 LEU 53 HD23 LEU 53 -3.955 -2.766 -0.118 469 H THR 54 HN THR 54 -8.033 -0.725 -2.157 470 HA THR 54 HA THR 54 -8.782 1.832 -3.288 471 HB THR 54 HB THR 54 -9.540 -0.025 -4.947 472 HG1 THR 54 HG1 THR 54 -11.085 1.298 -5.523 473 HG21 THR 54 HG21 THR 54 -11.916 -0.720 -4.428 474 HG22 THR 54 HG22 THR 54 -11.611 -0.272 -2.737 475 HG23 THR 54 HG23 THR 54 -10.667 -1.585 -3.540 476 H LEU 55 HN LEU 55 -10.195 2.832 -1.983 477 HA LEU 55 HA LEU 55 -10.688 1.649 0.755 478 HB2 LEU 55 HB2 LEU 55 -10.545 4.425 -0.378 479 HB3 LEU 55 HB3 LEU 55 -11.734 4.164 0.859 480 HG LEU 55 HG LEU 55 -9.727 5.063 1.786 481 HD11 LEU 55 HD11 LEU 55 -9.195 3.480 3.565 482 HD12 LEU 55 HD12 LEU 55 -10.110 2.259 2.680 483 HD13 LEU 55 HD13 LEU 55 -10.920 3.672 3.334 484 HD21 LEU 55 HD21 LEU 55 -8.300 2.574 0.811 485 HD22 LEU 55 HD22 LEU 55 -7.602 3.867 1.837 486 HD23 LEU 55 HD23 LEU 55 -8.162 4.216 0.202 487 H ARG 56 HN ARG 56 -12.896 1.626 1.420 488 HA ARG 56 HA ARG 56 -15.085 2.096 -0.561 489 HB2 ARG 56 HB2 ARG 56 -14.498 -0.303 -0.316 490 HB3 ARG 56 HB3 ARG 56 -14.788 -0.184 1.424 491 HG2 ARG 56 HG2 ARG 56 -17.171 0.441 0.967 492 HG3 ARG 56 HG3 ARG 56 -16.865 0.270 -0.772 493 HD2 ARG 56 HD2 ARG 56 -16.218 -2.066 -0.484 494 HD3 ARG 56 HD3 ARG 56 -16.527 -1.942 1.268 495 HE ARG 56 HE ARG 56 -18.456 -2.176 -0.900 496 HH11 ARG 56 HH11 ARG 56 -17.978 -1.309 2.537 497 HH12 ARG 56 HH12 ARG 56 -19.678 -1.406 2.883 498 HH21 ARG 56 HH21 ARG 56 -20.626 -2.470 -0.329 499 HH22 ARG 56 HH22 ARG 56 -21.190 -2.291 1.299 500 H GLU 57 HN GLU 57 -16.059 3.910 0.248 501 HA GLU 57 HA GLU 57 -16.691 3.986 3.129 502 HB2 GLU 57 HB2 GLU 57 -15.885 6.113 2.321 503 HB3 GLU 57 HB3 GLU 57 -17.170 6.175 1.148 504 HG2 GLU 57 HG2 GLU 57 -17.584 7.469 3.237 505 HG3 GLU 57 HG3 GLU 57 -18.872 6.354 2.824 506 H GLY 58 HN GLY 58 -18.734 3.153 3.507 507 HA2 GLY 58 HA1 GLY 58 -20.848 2.270 3.233 508 HA3 GLY 58 HA2 GLY 58 -21.091 3.783 2.378 509 H SER 59 HN SER 59 -20.921 3.760 0.075 510 HA SER 59 HA SER 59 -21.396 1.187 -1.309 511 HB2 SER 59 HB2 SER 59 -23.515 2.505 -0.335 512 HB3 SER 59 HB3 SER 59 -23.309 3.478 -1.792 513 HG SER 59 HG SER 59 -23.711 1.677 -3.025 514 H LYS 60 HN LYS 60 -19.104 3.124 -1.261 515 HA LYS 60 HA LYS 60 -18.946 3.580 -4.182 516 HB2 LYS 60 HB2 LYS 60 -19.275 5.750 -3.319 517 HB3 LYS 60 HB3 LYS 60 -18.284 5.471 -1.892 518 HG2 LYS 60 HG2 LYS 60 -16.285 5.713 -3.024 519 HG3 LYS 60 HG3 LYS 60 -16.964 5.391 -4.600 520 HD2 LYS 60 HD2 LYS 60 -16.267 7.689 -4.386 521 HD3 LYS 60 HD3 LYS 60 -17.997 7.542 -4.731 522 HE2 LYS 60 HE2 LYS 60 -18.596 8.055 -2.467 523 HE3 LYS 60 HE3 LYS 60 -16.915 7.951 -1.911 524 HZ1 LYS 60 HZ1 LYS 60 -17.873 10.247 -2.378 525 HZ2 LYS 60 HZ2 LYS 60 -17.678 9.882 -3.987 526 HZ3 LYS 60 HZ3 LYS 60 -16.389 9.920 -3.012 527 H GLU 61 HN GLU 61 -16.626 3.469 -4.887 528 HA GLU 61 HA GLU 61 -14.696 2.622 -2.921 529 HB2 GLU 61 HB2 GLU 61 -15.451 0.948 -5.266 530 HB3 GLU 61 HB3 GLU 61 -13.729 1.137 -4.932 531 HG2 GLU 61 HG2 GLU 61 -13.777 -0.047 -3.001 532 HG3 GLU 61 HG3 GLU 61 -15.272 0.630 -2.467 533 H PHE 62 HN PHE 62 -12.585 3.413 -3.449 534 HA PHE 62 HA PHE 62 -12.188 5.104 -5.827 535 HB2 PHE 62 HB2 PHE 62 -11.383 7.010 -4.498 536 HB3 PHE 62 HB3 PHE 62 -13.115 6.800 -4.494 537 HD1 PHE 62 HD1 PHE 62 -14.274 6.111 -2.500 538 HD2 PHE 62 HD2 PHE 62 -10.078 6.751 -2.394 539 HE1 PHE 62 HE1 PHE 62 -14.448 6.441 0.003 540 HE2 PHE 62 HE2 PHE 62 -10.185 7.173 0.069 541 HZ PHE 62 HZ PHE 62 -12.355 6.990 1.273 542 H GLY 63 HN GLY 63 -10.297 4.567 -6.563 543 HA2 GLY 63 HA1 GLY 63 -8.587 2.717 -5.258 544 HA3 GLY 63 HA2 GLY 63 -8.221 3.654 -6.710 545 H VAL 64 HN VAL 64 -6.756 3.052 -3.996 546 HA VAL 64 HA VAL 64 -5.700 5.840 -3.871 547 HB VAL 64 HB VAL 64 -5.287 5.604 -1.534 548 HG11 VAL 64 HG11 VAL 64 -8.219 4.989 -1.945 549 HG12 VAL 64 HG12 VAL 64 -7.455 6.064 -0.741 550 HG13 VAL 64 HG13 VAL 64 -7.481 6.497 -2.453 551 HG21 VAL 64 HG21 VAL 64 -5.987 3.814 -0.143 552 HG22 VAL 64 HG22 VAL 64 -6.863 3.011 -1.477 553 HG23 VAL 64 HG23 VAL 64 -5.082 3.079 -1.452 554 H PHE 65 HN PHE 65 -3.519 5.952 -2.898 555 HA PHE 65 HA PHE 65 -1.796 3.668 -3.681 556 HB2 PHE 65 HB2 PHE 65 -1.467 6.615 -4.418 557 HB3 PHE 65 HB3 PHE 65 -0.249 5.367 -4.656 558 HD1 PHE 65 HD2 PHE 65 -0.838 3.362 -6.212 559 HD2 PHE 65 HD1 PHE 65 -3.203 6.946 -5.963 560 HE1 PHE 65 HE2 PHE 65 -1.730 2.936 -8.498 561 HE2 PHE 65 HE1 PHE 65 -4.130 6.490 -8.244 562 HZ PHE 65 HZ PHE 65 -3.360 4.496 -9.506 563 H VAL 66 HN VAL 66 0.279 3.758 -2.578 564 HA VAL 66 HA VAL 66 0.333 5.498 -0.175 565 HB VAL 66 HB VAL 66 0.900 2.497 -0.185 566 HG11 VAL 66 HG11 VAL 66 2.142 3.611 1.547 567 HG12 VAL 66 HG12 VAL 66 0.774 4.672 1.921 568 HG13 VAL 66 HG13 VAL 66 0.704 2.977 2.355 569 HG21 VAL 66 HG21 VAL 66 -1.190 2.256 1.182 570 HG22 VAL 66 HG22 VAL 66 -1.584 3.940 0.851 571 HG23 VAL 66 HG23 VAL 66 -1.532 2.763 -0.472 572 H THR 67 HN THR 67 2.550 5.998 0.509 573 HA THR 67 HA THR 67 4.616 5.062 -1.404 574 HB THR 67 HB THR 67 4.421 7.979 -0.647 575 HG1 THR 67 HG1 THR 67 3.357 8.355 -2.495 576 HG21 THR 67 HG21 THR 67 5.882 8.160 -2.679 577 HG22 THR 67 HG22 THR 67 5.812 6.407 -2.890 578 HG23 THR 67 HG23 THR 67 6.602 7.098 -1.457 579 H ILE 68 HN ILE 68 4.968 3.634 0.287 580 HA ILE 68 HA ILE 68 6.571 4.431 2.613 581 HB ILE 68 HB ILE 68 6.143 1.818 1.096 582 HG12 ILE 68 HG12 ILE 68 4.981 2.597 3.796 583 HG13 ILE 68 HG13 ILE 68 4.097 2.702 2.279 584 HG21 ILE 68 HG21 ILE 68 8.319 1.830 2.350 585 HG22 ILE 68 HG22 ILE 68 7.436 2.230 3.829 586 HG23 ILE 68 HG23 ILE 68 7.176 0.665 3.042 587 HD11 ILE 68 HD11 ILE 68 3.422 0.670 3.239 588 HD12 ILE 68 HD12 ILE 68 4.507 0.233 1.913 589 HD13 ILE 68 HD13 ILE 68 5.072 0.173 3.611 590 H SER 69 HN SER 69 8.650 5.151 2.226 591 HA SER 69 HA SER 69 10.163 4.080 -0.124 592 HB2 SER 69 HB2 SER 69 10.073 6.822 1.006 593 HB3 SER 69 HB3 SER 69 11.687 6.102 1.047 594 HG SER 69 HG SER 69 11.712 6.872 -0.841 595 H PHE 70 HN PHE 70 11.730 2.651 0.526 596 HA PHE 70 HA PHE 70 12.477 2.666 3.404 597 HB2 PHE 70 HB2 PHE 70 12.384 0.313 3.569 598 HB3 PHE 70 HB3 PHE 70 10.824 0.872 3.018 599 HD1 PHE 70 HD2 PHE 70 10.312 0.733 0.472 600 HD2 PHE 70 HD1 PHE 70 13.634 -1.306 2.293 601 HE1 PHE 70 HE2 PHE 70 10.438 -0.787 -1.432 602 HE2 PHE 70 HE1 PHE 70 13.646 -2.960 0.395 603 HZ PHE 70 HZ PHE 70 12.013 -2.726 -1.432 604 H ASP 71 HN ASP 71 14.420 1.311 3.777 605 HA ASP 71 HA ASP 71 16.443 2.371 1.953 606 HB2 ASP 71 HB2 ASP 71 16.223 2.706 4.511 607 HB3 ASP 71 HB3 ASP 71 16.781 1.038 4.664 608 HA PRO 72 HA PRO 72 17.159 -1.759 0.535 609 HB2 PRO 72 HB2 PRO 72 19.417 -1.525 -0.918 610 HB3 PRO 72 HB3 PRO 72 17.876 -0.726 -1.373 611 HG2 PRO 72 HG2 PRO 72 20.241 0.509 0.096 612 HG3 PRO 72 HG3 PRO 72 19.365 1.159 -1.328 613 HD2 PRO 72 HD2 PRO 72 18.768 1.923 1.226 614 HD3 PRO 72 HD3 PRO 72 17.504 1.771 -0.025 615 H TYR 73 HN TYR 73 19.650 -0.152 2.483 616 HA TYR 73 HA TYR 73 21.493 -2.223 2.782 617 HB2 TYR 73 HB2 TYR 73 20.628 -0.090 4.767 618 HB3 TYR 73 HB3 TYR 73 21.892 -1.233 5.095 619 HD1 TYR 73 HD1 TYR 73 21.032 1.624 2.727 620 HD2 TYR 73 HD2 TYR 73 24.112 -0.909 4.423 621 HE1 TYR 73 HE1 TYR 73 22.744 3.115 1.847 622 HE2 TYR 73 HE2 TYR 73 25.834 0.616 3.513 623 HH TYR 73 HH TYR 73 25.240 3.737 2.406 624 H SER 74 HN SER 74 18.586 -1.569 4.815 625 HA SER 74 HA SER 74 18.463 -4.426 5.615 626 HB2 SER 74 HB2 SER 74 20.234 -3.226 6.940 627 HB3 SER 74 HB3 SER 74 18.988 -2.175 7.588 628 HG SER 74 HG SER 74 19.513 -3.784 8.980 629 H GLN 75 HN GLN 75 16.539 -2.411 4.244 630 HA GLN 75 HA GLN 75 14.356 -1.757 4.368 631 HB2 GLN 75 HB2 GLN 75 14.286 -4.455 5.772 632 HB3 GLN 75 HB3 GLN 75 12.850 -3.467 5.743 633 HG2 GLN 75 HG2 GLN 75 12.401 -4.670 3.945 634 HG3 GLN 75 HG3 GLN 75 13.211 -3.332 3.159 635 HE21 GLN 75 HE21 GLN 75 15.379 -3.668 2.244 636 HE22 GLN 75 HE22 GLN 75 15.758 -5.337 1.857 637 H LYS 76 HN LYS 76 15.799 -0.083 5.911 638 HA LYS 76 HA LYS 76 14.159 0.274 8.380 639 HB2 LYS 76 HB2 LYS 76 16.691 1.556 7.301 640 HB3 LYS 76 HB3 LYS 76 15.601 2.457 8.353 641 HG2 LYS 76 HG2 LYS 76 17.394 1.402 9.651 642 HG3 LYS 76 HG3 LYS 76 15.798 0.830 10.132 643 HD2 LYS 76 HD2 LYS 76 16.161 -1.259 8.809 644 HD3 LYS 76 HD3 LYS 76 17.762 -0.650 8.369 645 HE2 LYS 76 HE2 LYS 76 17.979 -2.271 10.132 646 HE3 LYS 76 HE3 LYS 76 18.367 -0.686 10.812 647 HZ1 LYS 76 HZ1 LYS 76 16.816 -2.181 12.134 648 HZ2 LYS 76 HZ2 LYS 76 15.639 -1.806 11.023 649 HZ3 LYS 76 HZ3 LYS 76 16.338 -0.630 11.913 650 H VAL 77 HN VAL 77 12.253 1.381 8.003 651 HA VAL 77 HA VAL 77 11.753 2.289 5.266 652 HB VAL 77 HB VAL 77 9.974 1.266 6.131 653 HG11 VAL 77 HG11 VAL 77 9.920 2.979 8.623 654 HG12 VAL 77 HG12 VAL 77 8.715 1.750 8.127 655 HG13 VAL 77 HG13 VAL 77 10.352 1.252 8.538 656 HG21 VAL 77 HG21 VAL 77 9.341 4.210 6.380 657 HG22 VAL 77 HG22 VAL 77 9.518 3.310 4.854 658 HG23 VAL 77 HG23 VAL 77 8.231 2.880 5.968 659 H ASN 78 HN ASN 78 12.335 4.175 4.488 660 HA ASN 78 HA ASN 78 13.784 6.030 6.204 661 HB2 ASN 78 HB2 ASN 78 13.147 6.000 3.217 662 HB3 ASN 78 HB3 ASN 78 13.933 7.360 4.020 663 HD21 ASN 78 HD21 ASN 78 14.836 4.657 2.228 664 HD22 ASN 78 HD22 ASN 78 16.333 4.360 3.099 665 H LYS 79 HN LYS 79 10.775 6.179 4.189 666 HA LYS 79 HA LYS 79 9.556 8.019 6.115 667 HB2 LYS 79 HB2 LYS 79 10.830 8.913 3.583 668 HB3 LYS 79 HB3 LYS 79 9.151 9.367 3.666 669 HG2 LYS 79 HG2 LYS 79 10.614 9.936 6.206 670 HG3 LYS 79 HG3 LYS 79 11.309 10.729 4.793 671 HD2 LYS 79 HD2 LYS 79 9.065 11.599 4.182 672 HD3 LYS 79 HD3 LYS 79 8.393 10.899 5.673 673 HE2 LYS 79 HE2 LYS 79 9.766 12.391 7.023 674 HE3 LYS 79 HE3 LYS 79 10.668 12.917 5.589 675 HZ1 LYS 79 HZ1 LYS 79 8.651 13.881 4.718 676 HZ2 LYS 79 HZ2 LYS 79 8.993 14.534 6.196 677 HZ3 LYS 79 HZ3 LYS 79 7.778 13.422 6.000 678 H ILE 80 HN ILE 80 7.267 8.536 5.447 679 HA ILE 80 HA ILE 80 6.022 6.411 3.836 680 HB ILE 80 HB ILE 80 5.407 6.882 6.796 681 HG12 ILE 80 HG12 ILE 80 6.795 4.548 5.420 682 HG13 ILE 80 HG13 ILE 80 7.495 5.639 6.631 683 HG21 ILE 80 HG21 ILE 80 4.319 4.806 4.847 684 HG22 ILE 80 HG22 ILE 80 3.795 5.079 6.532 685 HG23 ILE 80 HG23 ILE 80 3.486 6.300 5.329 686 HD11 ILE 80 HD11 ILE 80 5.355 3.551 7.085 687 HD12 ILE 80 HD12 ILE 80 6.984 3.627 7.772 688 HD13 ILE 80 HD13 ILE 80 5.765 4.812 8.275 689 H ALA 81 HN ALA 81 4.493 7.383 2.629 690 HA ALA 81 HA ALA 81 2.887 9.620 3.726 691 HB1 ALA 81 HB1 ALA 81 2.885 10.559 1.373 692 HB2 ALA 81 HB2 ALA 81 4.439 10.664 2.193 693 HB3 ALA 81 HB3 ALA 81 4.169 9.407 0.967 694 H ILE 82 HN ILE 82 0.893 9.874 2.336 695 HA ILE 82 HA ILE 82 -0.254 7.322 1.351 696 HB ILE 82 HB ILE 82 -1.205 9.203 3.501 697 HG12 ILE 82 HG12 ILE 82 0.064 7.096 4.046 698 HG13 ILE 82 HG13 ILE 82 -1.475 7.302 4.847 699 HG21 ILE 82 HG21 ILE 82 -3.456 8.079 3.446 700 HG22 ILE 82 HG22 ILE 82 -3.140 9.211 2.129 701 HG23 ILE 82 HG23 ILE 82 -3.041 7.468 1.841 702 HD11 ILE 82 HD11 ILE 82 -2.526 5.608 3.593 703 HD12 ILE 82 HD12 ILE 82 -1.302 5.659 2.311 704 HD13 ILE 82 HD13 ILE 82 -0.917 4.953 3.894 705 H LEU 83 HN LEU 83 -1.857 7.682 -0.371 706 HA LEU 83 HA LEU 83 -2.290 10.454 -1.222 707 HB2 LEU 83 HB2 LEU 83 -0.353 9.298 -2.473 708 HB3 LEU 83 HB3 LEU 83 -1.520 8.120 -2.996 709 HG LEU 83 HG LEU 83 -2.568 10.736 -3.583 710 HD11 LEU 83 HD11 LEU 83 0.213 10.337 -4.729 711 HD12 LEU 83 HD12 LEU 83 -0.217 11.540 -3.482 712 HD13 LEU 83 HD13 LEU 83 -0.910 11.636 -5.115 713 HD21 LEU 83 HD21 LEU 83 -1.511 8.680 -5.532 714 HD22 LEU 83 HD22 LEU 83 -2.680 9.982 -5.837 715 HD23 LEU 83 HD23 LEU 83 -3.131 8.683 -4.754 716 H GLU 84 HN GLU 84 -4.209 10.391 -2.868 717 HA GLU 84 HA GLU 84 -5.961 8.091 -2.661 718 HB2 GLU 84 HB2 GLU 84 -6.546 10.229 -1.048 719 HB3 GLU 84 HB3 GLU 84 -7.153 10.858 -2.572 720 HG2 GLU 84 HG2 GLU 84 -8.413 8.585 -2.784 721 HG3 GLU 84 HG3 GLU 84 -8.010 8.356 -1.079 722 H GLU 85 HN GLU 85 -7.169 7.965 -4.739 723 HA GLU 85 HA GLU 85 -6.192 9.764 -6.852 724 HB2 GLU 85 HB2 GLU 85 -6.365 7.388 -7.350 725 HB3 GLU 85 HB3 GLU 85 -8.066 7.367 -6.862 726 HG2 GLU 85 HG2 GLU 85 -8.801 8.522 -8.659 727 HG3 GLU 85 HG3 GLU 85 -7.203 9.207 -9.085 728 H TYR 86 HN TYR 86 -7.944 10.865 -8.140 729 HA TYR 86 HA TYR 86 -10.507 11.398 -6.984 730 HB2 TYR 86 HB2 TYR 86 -10.025 13.919 -7.005 731 HB3 TYR 86 HB3 TYR 86 -9.369 13.043 -5.645 732 HD1 TYR 86 HD2 TYR 86 -6.953 12.676 -5.373 733 HD2 TYR 86 HD1 TYR 86 -8.535 14.902 -8.704 734 HE1 TYR 86 HE2 TYR 86 -4.700 13.543 -5.832 735 HE2 TYR 86 HE1 TYR 86 -6.271 15.821 -9.174 736 HH TYR 86 HH TYR 86 -4.036 15.972 -8.378 737 H GLN 87 HN GLN 87 -11.830 12.306 -8.703 738 HA GLN 87 HA GLN 87 -10.808 13.320 -11.091 739 HB2 GLN 87 HB2 GLN 87 -11.439 11.536 -12.638 740 HB3 GLN 87 HB3 GLN 87 -9.996 11.208 -11.709 741 HG2 GLN 87 HG2 GLN 87 -12.100 10.047 -10.229 742 HG3 GLN 87 HG3 GLN 87 -12.502 9.715 -11.911 743 HE21 GLN 87 HE21 GLN 87 -11.418 8.007 -9.551 744 HE22 GLN 87 HE22 GLN 87 -9.925 7.307 -10.151 Start of MODEL 12 1 H1 GLY 1 HN GLY 1 -19.766 -8.241 -3.835 2 HA2 GLY 1 HA1 GLY 1 -18.040 -9.875 -4.408 3 HA3 GLY 1 HA2 GLY 1 -17.350 -8.357 -3.800 4 H GLU 2 HN GLU 2 -15.491 -9.085 -2.810 5 HA GLU 2 HA GLU 2 -15.915 -10.542 -0.277 6 HB2 GLU 2 HB2 GLU 2 -13.872 -11.093 -2.425 7 HB3 GLU 2 HB3 GLU 2 -13.291 -10.985 -0.799 8 HG2 GLU 2 HG2 GLU 2 -13.627 -13.206 -0.887 9 HG3 GLU 2 HG3 GLU 2 -15.137 -12.701 -0.145 10 H GLU 3 HN GLU 3 -14.266 -9.849 1.335 11 HA GLU 3 HA GLU 3 -13.669 -7.030 1.373 12 HB2 GLU 3 HB2 GLU 3 -14.396 -8.484 3.313 13 HB3 GLU 3 HB3 GLU 3 -12.893 -9.403 3.145 14 HG2 GLU 3 HG2 GLU 3 -11.624 -7.270 3.593 15 HG3 GLU 3 HG3 GLU 3 -13.182 -6.478 3.897 16 H THR 4 HN THR 4 -12.010 -10.004 0.370 17 HA THR 4 HA THR 4 -9.612 -8.452 -0.242 18 HB THR 4 HB THR 4 -8.259 -10.427 0.811 19 HG1 THR 4 HG1 THR 4 -10.577 -11.303 1.561 20 HG21 THR 4 HG21 THR 4 -7.932 -9.285 2.874 21 HG22 THR 4 HG22 THR 4 -9.496 -8.487 2.782 22 HG23 THR 4 HG23 THR 4 -8.221 -8.062 1.632 23 HA PRO 5 HA PRO 5 -9.692 -11.529 -3.527 24 HB2 PRO 5 HB2 PRO 5 -7.367 -11.015 -4.789 25 HB3 PRO 5 HB3 PRO 5 -8.662 -9.786 -4.750 26 HG2 PRO 5 HG2 PRO 5 -6.257 -9.999 -2.887 27 HG3 PRO 5 HG3 PRO 5 -6.762 -8.580 -3.843 28 HD2 PRO 5 HD2 PRO 5 -7.517 -8.922 -1.229 29 HD3 PRO 5 HD3 PRO 5 -8.618 -8.178 -2.433 30 H LEU 6 HN LEU 6 -7.603 -11.447 -0.811 31 HA LEU 6 HA LEU 6 -5.817 -13.669 -1.505 32 HB2 LEU 6 HB2 LEU 6 -6.157 -12.116 1.091 33 HB3 LEU 6 HB3 LEU 6 -4.827 -13.189 0.656 34 HG LEU 6 HG LEU 6 -5.447 -10.482 -0.567 35 HD11 LEU 6 HD11 LEU 6 -4.380 -10.486 1.677 36 HD12 LEU 6 HD12 LEU 6 -3.298 -9.841 0.424 37 HD13 LEU 6 HD13 LEU 6 -3.063 -11.485 1.041 38 HD21 LEU 6 HD21 LEU 6 -4.578 -11.955 -2.352 39 HD22 LEU 6 HD22 LEU 6 -3.225 -12.435 -1.308 40 HD23 LEU 6 HD23 LEU 6 -3.370 -10.760 -1.883 41 H VAL 7 HN VAL 7 -8.226 -14.620 -1.803 42 HA VAL 7 HA VAL 7 -9.420 -15.893 0.456 43 HB VAL 7 HB VAL 7 -10.799 -16.973 -1.281 44 HG11 VAL 7 HG11 VAL 7 -11.261 -14.633 -0.521 45 HG12 VAL 7 HG12 VAL 7 -10.397 -14.024 -1.947 46 HG13 VAL 7 HG13 VAL 7 -11.863 -14.999 -2.142 47 HG21 VAL 7 HG21 VAL 7 -9.149 -17.373 -3.060 48 HG22 VAL 7 HG22 VAL 7 -10.523 -16.435 -3.659 49 HG23 VAL 7 HG23 VAL 7 -8.987 -15.628 -3.343 50 H THR 8 HN THR 8 -6.413 -16.542 -0.137 51 HA THR 8 HA THR 8 -6.709 -19.420 0.370 52 HB THR 8 HB THR 8 -5.025 -18.423 -1.976 53 HG1 THR 8 HG1 THR 8 -7.647 -19.171 -1.771 54 HG21 THR 8 HG21 THR 8 -4.114 -20.493 -0.984 55 HG22 THR 8 HG22 THR 8 -4.805 -20.793 -2.585 56 HG23 THR 8 HG23 THR 8 -5.699 -21.276 -1.130 57 H ALA 9 HN ALA 9 -4.895 -20.261 1.496 58 HA ALA 9 HA ALA 9 -3.503 -18.331 3.079 59 HB1 ALA 9 HB1 ALA 9 -3.126 -21.343 2.813 60 HB2 ALA 9 HB2 ALA 9 -2.480 -20.323 4.115 61 HB3 ALA 9 HB3 ALA 9 -4.231 -20.524 3.943 62 H ARG 10 HN ARG 10 -1.811 -17.145 2.322 63 HA ARG 10 HA ARG 10 0.517 -18.504 1.262 64 HB2 ARG 10 HB2 ARG 10 -0.693 -16.172 -0.304 65 HB3 ARG 10 HB3 ARG 10 0.903 -16.875 -0.557 66 HG2 ARG 10 HG2 ARG 10 -0.272 -19.096 -1.068 67 HG3 ARG 10 HG3 ARG 10 -1.782 -18.158 -1.111 68 HD2 ARG 10 HD2 ARG 10 -0.586 -16.637 -2.811 69 HD3 ARG 10 HD3 ARG 10 0.671 -17.875 -2.909 70 HE ARG 10 HE ARG 10 -1.921 -17.846 -4.124 71 HH11 ARG 10 HH11 ARG 10 0.658 -20.142 -3.170 72 HH12 ARG 10 HH12 ARG 10 -0.145 -21.477 -3.932 73 HH21 ARG 10 HH21 ARG 10 -2.871 -19.629 -5.090 74 HH22 ARG 10 HH22 ARG 10 -2.078 -21.204 -5.062 75 H HIS 11 HN HIS 11 2.424 -17.084 1.428 76 HA HIS 11 HA HIS 11 2.408 -15.332 3.711 77 HB2 HIS 11 HB2 HIS 11 4.420 -15.857 1.512 78 HB3 HIS 11 HB3 HIS 11 4.689 -14.683 2.792 79 HD1 HIS 11 HD1 HIS 11 4.178 -18.501 2.453 80 HD2 HIS 11 HD2 HIS 11 5.543 -15.519 5.112 81 HE1 HIS 11 HE1 HIS 11 5.412 -19.711 4.373 82 H MET 12 HN MET 12 2.905 -13.134 3.719 83 HA MET 12 HA MET 12 1.623 -11.498 1.591 84 HB2 MET 12 HB2 MET 12 2.220 -11.139 4.552 85 HB3 MET 12 HB3 MET 12 1.963 -9.727 3.525 86 HG2 MET 12 HG2 MET 12 0.028 -12.005 3.422 87 HG3 MET 12 HG3 MET 12 -0.091 -10.817 4.730 88 HE1 MET 12 HE1 MET 12 -0.589 -8.341 4.441 89 HE2 MET 12 HE2 MET 12 -1.847 -7.898 3.267 90 HE3 MET 12 HE3 MET 12 -2.125 -9.237 4.412 91 H SER 13 HN SER 13 2.728 -9.354 1.419 92 HA SER 13 HA SER 13 5.588 -9.687 0.729 93 HB2 SER 13 HB2 SER 13 3.741 -8.139 -0.428 94 HB3 SER 13 HB3 SER 13 4.242 -7.004 0.853 95 HG SER 13 HG SER 13 5.871 -8.259 -1.083 96 H LYS 14 HN LYS 14 7.212 -8.317 1.696 97 HA LYS 14 HA LYS 14 7.346 -8.254 4.518 98 HB2 LYS 14 HB2 LYS 14 9.332 -8.131 2.990 99 HB3 LYS 14 HB3 LYS 14 8.847 -6.504 2.507 100 HG2 LYS 14 HG2 LYS 14 10.527 -6.093 4.033 101 HG3 LYS 14 HG3 LYS 14 9.082 -5.822 4.971 102 HD2 LYS 14 HD2 LYS 14 9.673 -8.568 5.406 103 HD3 LYS 14 HD3 LYS 14 11.249 -7.778 5.321 104 HE2 LYS 14 HE2 LYS 14 10.175 -6.018 6.950 105 HE3 LYS 14 HE3 LYS 14 8.939 -7.252 7.215 106 HZ1 LYS 14 HZ1 LYS 14 10.578 -7.524 8.865 107 HZ2 LYS 14 HZ2 LYS 14 11.836 -7.408 7.838 108 HZ3 LYS 14 HZ3 LYS 14 10.894 -8.752 7.811 109 H TRP 15 HN TRP 15 6.421 -5.674 2.222 110 HA TRP 15 HA TRP 15 5.907 -3.832 4.454 111 HB2 TRP 15 HB2 TRP 15 6.035 -3.396 1.478 112 HB3 TRP 15 HB3 TRP 15 5.879 -2.148 2.688 113 HD1 TRP 15 HD1 TRP 15 8.416 -4.013 0.775 114 HE1 TRP 15 HE1 TRP 15 10.815 -3.347 1.556 115 HE3 TRP 15 HE3 TRP 15 7.185 -1.438 4.999 116 HZ2 TRP 15 HZ2 TRP 15 11.973 -2.147 3.967 117 HZ3 TRP 15 HZ3 TRP 15 8.902 -0.654 6.531 118 HH2 TRP 15 HH2 TRP 15 11.324 -1.077 6.051 119 H GLU 16 HN GLU 16 3.959 -6.143 3.061 120 HA GLU 16 HA GLU 16 1.685 -4.636 2.144 121 HB2 GLU 16 HB2 GLU 16 2.097 -7.443 3.144 122 HB3 GLU 16 HB3 GLU 16 0.465 -6.824 3.072 123 HG2 GLU 16 HG2 GLU 16 2.258 -6.603 0.669 124 HG3 GLU 16 HG3 GLU 16 1.509 -8.143 1.058 125 H GLU 17 HN GLU 17 2.141 -6.245 5.447 126 HA GLU 17 HA GLU 17 -0.107 -4.910 6.474 127 HB2 GLU 17 HB2 GLU 17 2.194 -6.465 7.643 128 HB3 GLU 17 HB3 GLU 17 1.149 -5.540 8.736 129 HG2 GLU 17 HG2 GLU 17 -0.856 -6.552 7.756 130 HG3 GLU 17 HG3 GLU 17 0.138 -7.557 6.691 131 H ILE 18 HN ILE 18 2.692 -3.349 5.659 132 HA ILE 18 HA ILE 18 2.459 -1.189 7.705 133 HB ILE 18 HB ILE 18 4.567 -1.778 5.589 134 HG12 ILE 18 HG12 ILE 18 4.703 -2.045 8.639 135 HG13 ILE 18 HG13 ILE 18 4.453 -3.410 7.568 136 HG21 ILE 18 HG21 ILE 18 5.881 0.013 6.669 137 HG22 ILE 18 HG22 ILE 18 4.354 0.653 6.075 138 HG23 ILE 18 HG23 ILE 18 4.555 0.319 7.805 139 HD11 ILE 18 HD11 ILE 18 6.738 -3.363 8.274 140 HD12 ILE 18 HD12 ILE 18 6.626 -3.110 6.529 141 HD13 ILE 18 HD13 ILE 18 6.964 -1.734 7.614 142 H ALA 19 HN ALA 19 2.328 -1.806 4.126 143 HA ALA 19 HA ALA 19 1.391 0.816 3.529 144 HB1 ALA 19 HB1 ALA 19 0.910 -1.836 2.076 145 HB2 ALA 19 HB2 ALA 19 0.583 -0.222 1.417 146 HB3 ALA 19 HB3 ALA 19 2.252 -0.710 1.785 147 H VAL 20 HN VAL 20 -0.165 -2.201 4.307 148 HA VAL 20 HA VAL 20 -2.868 -1.533 3.741 149 HB VAL 20 HB VAL 20 -1.482 -3.681 5.353 150 HG11 VAL 20 HG11 VAL 20 -3.549 -3.665 6.398 151 HG12 VAL 20 HG12 VAL 20 -4.452 -3.475 4.894 152 HG13 VAL 20 HG13 VAL 20 -3.626 -5.005 5.236 153 HG21 VAL 20 HG21 VAL 20 -2.984 -4.164 2.765 154 HG22 VAL 20 HG22 VAL 20 -1.308 -3.626 2.744 155 HG23 VAL 20 HG23 VAL 20 -1.751 -5.142 3.529 156 H LYS 21 HN LYS 21 -0.877 -0.988 6.703 157 HA LYS 21 HA LYS 21 -3.300 -0.467 8.228 158 HB2 LYS 21 HB2 LYS 21 -1.750 0.614 9.906 159 HB3 LYS 21 HB3 LYS 21 -1.631 -1.126 9.641 160 HG2 LYS 21 HG2 LYS 21 0.239 -0.786 8.123 161 HG3 LYS 21 HG3 LYS 21 0.171 0.937 8.305 162 HD2 LYS 21 HD2 LYS 21 1.968 0.009 9.603 163 HD3 LYS 21 HD3 LYS 21 0.768 0.725 10.688 164 HE2 LYS 21 HE2 LYS 21 0.012 -2.017 10.316 165 HE3 LYS 21 HE3 LYS 21 1.751 -2.056 10.468 166 HZ1 LYS 21 HZ1 LYS 21 0.116 -0.548 12.410 167 HZ2 LYS 21 HZ2 LYS 21 1.641 -1.175 12.596 168 HZ3 LYS 21 HZ3 LYS 21 0.348 -2.177 12.556 169 H GLU 22 HN GLU 22 -0.852 1.458 6.383 170 HA GLU 22 HA GLU 22 -1.798 3.979 7.313 171 HB2 GLU 22 HB2 GLU 22 -0.301 3.255 4.807 172 HB3 GLU 22 HB3 GLU 22 -0.556 4.902 5.420 173 HG2 GLU 22 HG2 GLU 22 0.816 2.712 6.962 174 HG3 GLU 22 HG3 GLU 22 1.709 3.811 5.984 175 H ALA 23 HN ALA 23 -2.510 2.156 4.300 176 HA ALA 23 HA ALA 23 -4.427 3.997 3.309 177 HB1 ALA 23 HB1 ALA 23 -5.048 1.971 1.860 178 HB2 ALA 23 HB2 ALA 23 -3.395 2.598 1.763 179 HB3 ALA 23 HB3 ALA 23 -3.719 1.128 2.704 180 H LYS 24 HN LYS 24 -4.906 1.924 6.002 181 HA LYS 24 HA LYS 24 -7.877 2.310 5.637 182 HB2 LYS 24 HB2 LYS 24 -8.361 0.658 7.170 183 HB3 LYS 24 HB3 LYS 24 -7.268 0.017 5.953 184 HG2 LYS 24 HG2 LYS 24 -5.829 -0.682 7.501 185 HG3 LYS 24 HG3 LYS 24 -5.668 0.949 8.128 186 HD2 LYS 24 HD2 LYS 24 -6.269 -0.229 9.962 187 HD3 LYS 24 HD3 LYS 24 -7.780 0.556 9.453 188 HE2 LYS 24 HE2 LYS 24 -8.789 -1.408 8.887 189 HE3 LYS 24 HE3 LYS 24 -7.300 -2.161 8.311 190 HZ1 LYS 24 HZ1 LYS 24 -8.279 -3.040 10.480 191 HZ2 LYS 24 HZ2 LYS 24 -7.768 -1.680 11.183 192 HZ3 LYS 24 HZ3 LYS 24 -6.677 -2.703 10.500 193 H LYS 25 HN LYS 25 -5.072 2.944 7.809 194 HA LYS 25 HA LYS 25 -6.804 3.890 9.879 195 HB2 LYS 25 HB2 LYS 25 -4.871 4.414 11.144 196 HB3 LYS 25 HB3 LYS 25 -4.525 2.945 10.244 197 HG2 LYS 25 HG2 LYS 25 -3.381 4.522 8.533 198 HG3 LYS 25 HG3 LYS 25 -3.491 5.765 9.756 199 HD2 LYS 25 HD2 LYS 25 -2.303 3.263 10.822 200 HD3 LYS 25 HD3 LYS 25 -1.439 3.869 9.419 201 HE2 LYS 25 HE2 LYS 25 -1.508 6.182 10.537 202 HE3 LYS 25 HE3 LYS 25 -1.993 5.336 12.011 203 HZ1 LYS 25 HZ1 LYS 25 0.480 4.800 10.467 204 HZ2 LYS 25 HZ2 LYS 25 0.093 4.132 11.928 205 HZ3 LYS 25 HZ3 LYS 25 0.393 5.731 11.830 206 H ARG 26 HN ARG 26 -4.903 5.453 7.331 207 HA ARG 26 HA ARG 26 -5.568 8.159 8.040 208 HB2 ARG 26 HB2 ARG 26 -3.494 7.306 6.843 209 HB3 ARG 26 HB3 ARG 26 -4.476 7.104 5.392 210 HG2 ARG 26 HG2 ARG 26 -4.740 9.413 5.094 211 HG3 ARG 26 HG3 ARG 26 -4.524 9.763 6.823 212 HD2 ARG 26 HD2 ARG 26 -2.127 9.201 6.636 213 HD3 ARG 26 HD3 ARG 26 -2.346 8.852 4.906 214 HE ARG 26 HE ARG 26 -3.290 11.340 5.029 215 HH11 ARG 26 HH11 ARG 26 -0.167 9.906 6.032 216 HH12 ARG 26 HH12 ARG 26 0.642 11.464 5.984 217 HH21 ARG 26 HH21 ARG 26 -2.166 13.342 5.096 218 HH22 ARG 26 HH22 ARG 26 -0.436 13.355 5.179 219 H TYR 27 HN TYR 27 -7.783 6.037 7.284 220 HA TYR 27 HA TYR 27 -9.309 7.786 5.475 221 HB2 TYR 27 HB2 TYR 27 -8.797 4.812 5.097 222 HB3 TYR 27 HB3 TYR 27 -10.132 5.686 4.358 223 HD1 TYR 27 HD1 TYR 27 -9.774 7.338 2.589 224 HD2 TYR 27 HD2 TYR 27 -6.438 5.338 4.439 225 HE1 TYR 27 HE1 TYR 27 -8.282 8.262 0.873 226 HE2 TYR 27 HE2 TYR 27 -4.920 6.247 2.691 227 HH TYR 27 HH TYR 27 -6.116 8.319 0.038 228 HA PRO 28 HA PRO 28 -11.766 6.637 9.140 229 HB2 PRO 28 HB2 PRO 28 -12.480 9.189 9.846 230 HB3 PRO 28 HB3 PRO 28 -10.961 8.403 10.387 231 HG2 PRO 28 HG2 PRO 28 -11.351 10.423 8.179 232 HG3 PRO 28 HG3 PRO 28 -9.995 10.257 9.353 233 HD2 PRO 28 HD2 PRO 28 -9.892 9.375 6.769 234 HD3 PRO 28 HD3 PRO 28 -8.927 8.721 8.129 235 H LEU 29 HN LEU 29 -12.162 8.455 6.168 236 HA LEU 29 HA LEU 29 -15.119 8.118 6.191 237 HB2 LEU 29 HB2 LEU 29 -13.296 10.248 5.043 238 HB3 LEU 29 HB3 LEU 29 -14.801 9.884 4.233 239 HG LEU 29 HG LEU 29 -14.947 11.807 5.685 240 HD11 LEU 29 HD11 LEU 29 -16.779 9.551 6.520 241 HD12 LEU 29 HD12 LEU 29 -16.950 10.523 5.055 242 HD13 LEU 29 HD13 LEU 29 -17.121 11.289 6.641 243 HD21 LEU 29 HD21 LEU 29 -15.025 11.655 8.095 244 HD22 LEU 29 HD22 LEU 29 -13.490 10.983 7.538 245 HD23 LEU 29 HD23 LEU 29 -14.803 9.904 8.046 246 H ALA 30 HN ALA 30 -13.490 5.893 5.790 247 HA ALA 30 HA ALA 30 -14.784 4.853 3.684 248 HB1 ALA 30 HB1 ALA 30 -12.927 4.228 2.117 249 HB2 ALA 30 HB2 ALA 30 -13.311 5.930 2.038 250 HB3 ALA 30 HB3 ALA 30 -11.863 5.401 2.926 251 H GLN 31 HN GLN 31 -14.075 2.549 3.278 252 HA GLN 31 HA GLN 31 -12.450 1.402 5.530 253 HB2 GLN 31 HB2 GLN 31 -14.553 -0.166 4.008 254 HB3 GLN 31 HB3 GLN 31 -13.727 -0.571 5.500 255 HG2 GLN 31 HG2 GLN 31 -15.695 0.163 6.436 256 HG3 GLN 31 HG3 GLN 31 -14.747 1.641 6.351 257 HE21 GLN 31 HE21 GLN 31 -16.333 0.224 3.513 258 HE22 GLN 31 HE22 GLN 31 -17.483 1.577 3.336 259 H VAL 32 HN VAL 32 -10.966 -0.245 4.954 260 HA VAL 32 HA VAL 32 -10.338 -0.349 2.066 261 HB VAL 32 HB VAL 32 -8.539 -0.073 3.706 262 HG11 VAL 32 HG11 VAL 32 -9.157 -2.927 4.609 263 HG12 VAL 32 HG12 VAL 32 -7.720 -2.000 5.036 264 HG13 VAL 32 HG13 VAL 32 -9.317 -1.463 5.595 265 HG21 VAL 32 HG21 VAL 32 -7.071 -1.560 2.585 266 HG22 VAL 32 HG22 VAL 32 -8.338 -2.710 2.205 267 HG23 VAL 32 HG23 VAL 32 -8.286 -1.098 1.423 268 H LEU 33 HN LEU 33 -10.582 -2.127 0.737 269 HA LEU 33 HA LEU 33 -11.371 -4.736 1.839 270 HB2 LEU 33 HB2 LEU 33 -13.109 -4.750 -0.128 271 HB3 LEU 33 HB3 LEU 33 -13.539 -4.199 1.469 272 HG LEU 33 HG LEU 33 -12.525 -2.139 -0.474 273 HD11 LEU 33 HD11 LEU 33 -14.624 -1.851 -1.566 274 HD12 LEU 33 HD12 LEU 33 -15.360 -3.188 -0.658 275 HD13 LEU 33 HD13 LEU 33 -14.080 -3.515 -1.819 276 HD21 LEU 33 HD21 LEU 33 -13.660 -0.668 0.853 277 HD22 LEU 33 HD22 LEU 33 -13.482 -1.886 2.085 278 HD23 LEU 33 HD23 LEU 33 -14.996 -1.785 1.229 279 H PHE 34 HN PHE 34 -8.847 -3.795 0.698 280 HA PHE 34 HA PHE 34 -8.561 -5.967 -1.171 281 HB2 PHE 34 HB2 PHE 34 -9.008 -3.323 -2.190 282 HB3 PHE 34 HB3 PHE 34 -7.339 -3.721 -2.529 283 HD1 PHE 34 HD1 PHE 34 -6.921 -6.059 -3.777 284 HD2 PHE 34 HD2 PHE 34 -10.763 -4.149 -3.433 285 HE1 PHE 34 HE1 PHE 34 -7.794 -7.446 -5.643 286 HE2 PHE 34 HE2 PHE 34 -11.624 -5.523 -5.305 287 HZ PHE 34 HZ PHE 34 -10.139 -7.210 -6.372 288 H LYS 35 HN LYS 35 -6.140 -6.189 -1.760 289 HA LYS 35 HA LYS 35 -4.121 -5.021 -0.033 290 HB2 LYS 35 HB2 LYS 35 -4.887 -7.928 0.420 291 HB3 LYS 35 HB3 LYS 35 -3.460 -7.099 1.048 292 HG2 LYS 35 HG2 LYS 35 -5.046 -5.562 2.319 293 HG3 LYS 35 HG3 LYS 35 -6.366 -6.625 1.792 294 HD2 LYS 35 HD2 LYS 35 -4.914 -8.531 2.804 295 HD3 LYS 35 HD3 LYS 35 -4.038 -7.204 3.614 296 HE2 LYS 35 HE2 LYS 35 -6.042 -6.501 4.775 297 HE3 LYS 35 HE3 LYS 35 -7.073 -7.475 3.731 298 HZ1 LYS 35 HZ1 LYS 35 -6.922 -8.571 5.758 299 HZ2 LYS 35 HZ2 LYS 35 -5.286 -8.475 5.842 300 HZ3 LYS 35 HZ3 LYS 35 -6.017 -9.469 4.727 301 H GLN 36 HN GLN 36 -3.065 -4.603 -2.189 302 HA GLN 36 HA GLN 36 -1.731 -6.959 -3.159 303 HB2 GLN 36 HB2 GLN 36 -4.085 -6.747 -4.305 304 HB3 GLN 36 HB3 GLN 36 -3.344 -5.440 -5.232 305 HG2 GLN 36 HG2 GLN 36 -1.900 -6.880 -6.345 306 HG3 GLN 36 HG3 GLN 36 -1.921 -8.092 -5.053 307 HE21 GLN 36 HE21 GLN 36 -2.827 -7.812 -8.209 308 HE22 GLN 36 HE22 GLN 36 -4.230 -8.876 -8.150 309 H LYS 37 HN LYS 37 -0.329 -6.419 -5.051 310 HA LYS 37 HA LYS 37 1.122 -3.876 -4.555 311 HB2 LYS 37 HB2 LYS 37 2.558 -6.254 -5.714 312 HB3 LYS 37 HB3 LYS 37 3.128 -4.974 -4.666 313 HG2 LYS 37 HG2 LYS 37 3.315 -6.844 -3.341 314 HG3 LYS 37 HG3 LYS 37 1.766 -6.177 -2.797 315 HD2 LYS 37 HD2 LYS 37 0.520 -7.858 -3.971 316 HD3 LYS 37 HD3 LYS 37 1.964 -8.399 -4.845 317 HE2 LYS 37 HE2 LYS 37 2.937 -9.318 -2.879 318 HE3 LYS 37 HE3 LYS 37 1.751 -8.489 -1.822 319 HZ1 LYS 37 HZ1 LYS 37 1.325 -10.924 -2.284 320 HZ2 LYS 37 HZ2 LYS 37 0.865 -10.460 -3.812 321 HZ3 LYS 37 HZ3 LYS 37 0.078 -9.877 -2.504 322 H VAL 38 HN VAL 38 1.154 -2.607 -6.421 323 HA VAL 38 HA VAL 38 0.864 -3.920 -9.068 324 HB VAL 38 HB VAL 38 -0.867 -1.527 -8.389 325 HG11 VAL 38 HG11 VAL 38 -1.119 -3.807 -10.417 326 HG12 VAL 38 HG12 VAL 38 -2.238 -2.443 -10.263 327 HG13 VAL 38 HG13 VAL 38 -0.566 -2.165 -10.776 328 HG21 VAL 38 HG21 VAL 38 -1.621 -3.181 -6.744 329 HG22 VAL 38 HG22 VAL 38 -2.809 -2.961 -8.020 330 HG23 VAL 38 HG23 VAL 38 -1.777 -4.408 -8.029 331 H TRP 39 HN TRP 39 3.274 -2.953 -8.005 332 HA TRP 39 HA TRP 39 3.965 -0.803 -9.783 333 HB2 TRP 39 HB2 TRP 39 2.808 0.352 -7.796 334 HB3 TRP 39 HB3 TRP 39 4.096 -0.272 -6.782 335 HD1 TRP 39 HD1 TRP 39 3.461 2.109 -9.682 336 HE1 TRP 39 HE1 TRP 39 5.255 3.989 -9.658 337 HE3 TRP 39 HE3 TRP 39 6.649 0.179 -6.227 338 HZ2 TRP 39 HZ2 TRP 39 7.335 4.838 -7.841 339 HZ3 TRP 39 HZ3 TRP 39 8.521 1.576 -5.372 340 HH2 TRP 39 HH2 TRP 39 8.740 3.970 -6.060 341 H ASP 40 HN ASP 40 6.335 -0.448 -9.747 342 HA ASP 40 HA ASP 40 8.019 -2.140 -8.118 343 HB2 ASP 40 HB2 ASP 40 8.874 -3.532 -9.963 344 HB3 ASP 40 HB3 ASP 40 7.226 -3.899 -9.526 345 H ARG 41 HN ARG 41 9.247 -0.385 -7.606 346 HA ARG 41 HA ARG 41 11.070 0.480 -9.766 347 HB2 ARG 41 HB2 ARG 41 9.209 2.209 -9.095 348 HB3 ARG 41 HB3 ARG 41 10.121 2.343 -7.603 349 HG2 ARG 41 HG2 ARG 41 12.039 2.680 -9.684 350 HG3 ARG 41 HG3 ARG 41 10.575 3.517 -10.210 351 HD2 ARG 41 HD2 ARG 41 10.507 4.584 -7.901 352 HD3 ARG 41 HD3 ARG 41 12.198 4.035 -7.710 353 HE ARG 41 HE ARG 41 11.056 6.149 -9.378 354 HH11 ARG 41 HH11 ARG 41 13.983 4.128 -9.159 355 HH12 ARG 41 HH12 ARG 41 14.890 5.090 -10.237 356 HH21 ARG 41 HH21 ARG 41 12.249 7.502 -10.632 357 HH22 ARG 41 HH22 ARG 41 13.908 7.208 -11.004 358 H LYS 42 HN LYS 42 13.154 1.258 -8.740 359 HA LYS 42 HA LYS 42 13.578 0.897 -5.930 360 HB2 LYS 42 HB2 LYS 42 14.320 -1.245 -7.619 361 HB3 LYS 42 HB3 LYS 42 15.791 -0.283 -7.537 362 HG2 LYS 42 HG2 LYS 42 15.582 -0.345 -5.013 363 HG3 LYS 42 HG3 LYS 42 14.214 -1.466 -5.215 364 HD2 LYS 42 HD2 LYS 42 15.759 -3.001 -6.507 365 HD3 LYS 42 HD3 LYS 42 17.074 -1.851 -6.171 366 HE2 LYS 42 HE2 LYS 42 16.197 -2.222 -3.649 367 HE3 LYS 42 HE3 LYS 42 15.683 -3.779 -4.321 368 HZ1 LYS 42 HZ1 LYS 42 18.031 -4.061 -5.055 369 HZ2 LYS 42 HZ2 LYS 42 17.900 -3.919 -3.442 370 HZ3 LYS 42 HZ3 LYS 42 18.400 -2.620 -4.355 371 H ARG 43 HN ARG 43 16.079 1.742 -5.635 372 HA ARG 43 HA ARG 43 16.838 3.578 -7.785 373 HB2 ARG 43 HB2 ARG 43 16.753 4.467 -4.882 374 HB3 ARG 43 HB3 ARG 43 17.345 5.398 -6.250 375 HG2 ARG 43 HG2 ARG 43 14.610 4.702 -6.814 376 HG3 ARG 43 HG3 ARG 43 14.671 5.280 -5.169 377 HD2 ARG 43 HD2 ARG 43 15.981 6.809 -7.461 378 HD3 ARG 43 HD3 ARG 43 14.244 6.923 -7.143 379 HE ARG 43 HE ARG 43 15.051 7.505 -4.719 380 HH11 ARG 43 HH11 ARG 43 16.210 8.889 -7.849 381 HH12 ARG 43 HH12 ARG 43 16.559 10.401 -7.120 382 HH21 ARG 43 HH21 ARG 43 15.398 9.523 -3.909 383 HH22 ARG 43 HH22 ARG 43 15.959 10.836 -4.909 384 H LYS 44 HN LYS 44 19.237 4.503 -6.534 385 HA LYS 44 HA LYS 44 20.801 2.202 -7.176 386 HB2 LYS 44 HB2 LYS 44 21.149 4.884 -7.236 387 HB3 LYS 44 HB3 LYS 44 21.971 4.590 -5.721 388 HG2 LYS 44 HG2 LYS 44 23.604 3.143 -6.761 389 HG3 LYS 44 HG3 LYS 44 22.622 2.967 -8.216 390 HD2 LYS 44 HD2 LYS 44 24.332 4.495 -8.813 391 HD3 LYS 44 HD3 LYS 44 22.839 5.440 -8.617 392 HE2 LYS 44 HE2 LYS 44 23.591 5.976 -6.252 393 HE3 LYS 44 HE3 LYS 44 25.125 5.169 -6.606 394 HZ1 LYS 44 HZ1 LYS 44 25.214 7.570 -6.900 395 HZ2 LYS 44 HZ2 LYS 44 24.060 7.527 -8.035 396 HZ3 LYS 44 HZ3 LYS 44 25.537 6.817 -8.313 397 H ASP 45 HN ASP 45 20.282 4.000 -4.172 398 HA ASP 45 HA ASP 45 21.143 1.757 -2.451 399 HB2 ASP 45 HB2 ASP 45 22.261 3.579 -1.110 400 HB3 ASP 45 HB3 ASP 45 23.031 3.140 -2.612 401 H GLU 46 HN GLU 46 18.496 2.851 -3.326 402 HA GLU 46 HA GLU 46 17.293 2.945 -0.704 403 HB2 GLU 46 HB2 GLU 46 17.565 5.372 -1.686 404 HB3 GLU 46 HB3 GLU 46 16.242 4.878 -2.762 405 HG2 GLU 46 HG2 GLU 46 14.780 4.473 -0.890 406 HG3 GLU 46 HG3 GLU 46 16.108 4.797 0.256 407 H ALA 47 HN ALA 47 14.910 2.404 -1.107 408 HA ALA 47 HA ALA 47 14.232 1.330 -3.729 409 HB1 ALA 47 HB1 ALA 47 13.618 -0.861 -2.890 410 HB2 ALA 47 HB2 ALA 47 15.354 -0.580 -2.646 411 HB3 ALA 47 HB3 ALA 47 14.254 -0.434 -1.264 412 H VAL 48 HN VAL 48 11.912 0.605 -3.663 413 HA VAL 48 HA VAL 48 10.218 2.098 -1.819 414 HB VAL 48 HB VAL 48 9.275 3.198 -3.999 415 HG11 VAL 48 HG11 VAL 48 11.823 4.429 -2.905 416 HG12 VAL 48 HG12 VAL 48 10.440 5.233 -3.690 417 HG13 VAL 48 HG13 VAL 48 10.232 4.481 -2.126 418 HG21 VAL 48 HG21 VAL 48 10.925 2.074 -5.577 419 HG22 VAL 48 HG22 VAL 48 10.913 3.850 -5.695 420 HG23 VAL 48 HG23 VAL 48 12.223 3.041 -4.847 421 H LYS 49 HN LYS 49 8.238 0.993 -1.792 422 HA LYS 49 HA LYS 49 7.518 -0.775 -4.028 423 HB2 LYS 49 HB2 LYS 49 8.037 -1.781 -1.205 424 HB3 LYS 49 HB3 LYS 49 6.797 -2.513 -2.231 425 HG2 LYS 49 HG2 LYS 49 8.408 -3.137 -3.932 426 HG3 LYS 49 HG3 LYS 49 9.691 -2.251 -3.117 427 HD2 LYS 49 HD2 LYS 49 10.142 -4.454 -2.551 428 HD3 LYS 49 HD3 LYS 49 9.395 -3.770 -1.127 429 HE2 LYS 49 HE2 LYS 49 8.145 -5.702 -1.216 430 HE3 LYS 49 HE3 LYS 49 7.155 -4.744 -2.327 431 HZ1 LYS 49 HZ1 LYS 49 7.662 -6.865 -3.316 432 HZ2 LYS 49 HZ2 LYS 49 9.253 -6.708 -3.060 433 HZ3 LYS 49 HZ3 LYS 49 8.496 -5.760 -4.158 434 H GLN 50 HN GLN 50 5.937 0.771 -4.452 435 HA GLN 50 HA GLN 50 4.116 1.556 -2.300 436 HB2 GLN 50 HB2 GLN 50 4.367 2.152 -5.261 437 HB3 GLN 50 HB3 GLN 50 2.887 2.552 -4.385 438 HG2 GLN 50 HG2 GLN 50 3.834 4.187 -3.140 439 HG3 GLN 50 HG3 GLN 50 5.430 3.439 -3.052 440 HE21 GLN 50 HE21 GLN 50 6.517 5.498 -3.610 441 HE22 GLN 50 HE22 GLN 50 6.264 6.201 -5.207 442 H TYR 51 HN TYR 51 1.910 0.958 -2.332 443 HA TYR 51 HA TYR 51 1.231 -1.596 -3.675 444 HB2 TYR 51 HB2 TYR 51 0.709 -0.795 -0.784 445 HB3 TYR 51 HB3 TYR 51 -0.026 -2.173 -1.580 446 HD1 TYR 51 HD1 TYR 51 3.290 -0.753 -0.522 447 HD2 TYR 51 HD2 TYR 51 1.090 -4.274 -1.662 448 HE1 TYR 51 HE1 TYR 51 5.299 -2.099 -0.157 449 HE2 TYR 51 HE2 TYR 51 3.104 -5.662 -1.199 450 HH TYR 51 HH TYR 51 5.354 -5.685 -0.665 451 H HIS 52 HN HIS 52 -1.221 -1.735 -3.832 452 HA HIS 52 HA HIS 52 -2.493 0.947 -3.978 453 HB2 HIS 52 HB2 HIS 52 -1.707 0.258 -6.259 454 HB3 HIS 52 HB3 HIS 52 -2.635 -1.222 -6.106 455 HD1 HIS 52 HD1 HIS 52 -3.182 2.555 -6.670 456 HD2 HIS 52 HD2 HIS 52 -5.309 -1.089 -6.342 457 HE1 HIS 52 HE1 HIS 52 -5.521 3.021 -7.478 458 H LEU 53 HN LEU 53 -4.162 0.781 -2.553 459 HA LEU 53 HA LEU 53 -5.506 -1.845 -2.175 460 HB2 LEU 53 HB2 LEU 53 -5.375 0.586 -0.337 461 HB3 LEU 53 HB3 LEU 53 -6.116 -0.961 0.014 462 HG LEU 53 HG LEU 53 -4.155 -0.869 1.216 463 HD11 LEU 53 HD11 LEU 53 -4.584 -3.015 -0.060 464 HD12 LEU 53 HD12 LEU 53 -2.926 -2.839 0.569 465 HD13 LEU 53 HD13 LEU 53 -3.278 -2.558 -1.149 466 HD21 LEU 53 HD21 LEU 53 -3.010 0.923 -0.082 467 HD22 LEU 53 HD22 LEU 53 -2.295 -0.352 -1.083 468 HD23 LEU 53 HD23 LEU 53 -1.985 -0.324 0.663 469 H THR 54 HN THR 54 -7.934 -1.545 -1.842 470 HA THR 54 HA THR 54 -8.924 0.895 -3.209 471 HB THR 54 HB THR 54 -10.149 -1.859 -3.400 472 HG1 THR 54 HG1 THR 54 -8.541 -0.410 -5.233 473 HG21 THR 54 HG21 THR 54 -10.700 0.775 -4.847 474 HG22 THR 54 HG22 THR 54 -11.771 -0.048 -3.696 475 HG23 THR 54 HG23 THR 54 -11.424 -0.801 -5.262 476 H LEU 55 HN LEU 55 -10.065 2.103 -2.084 477 HA LEU 55 HA LEU 55 -11.139 1.262 0.549 478 HB2 LEU 55 HB2 LEU 55 -10.512 3.902 -0.783 479 HB3 LEU 55 HB3 LEU 55 -11.632 3.868 0.520 480 HG LEU 55 HG LEU 55 -9.435 4.520 1.257 481 HD11 LEU 55 HD11 LEU 55 -10.930 3.235 2.850 482 HD12 LEU 55 HD12 LEU 55 -9.204 3.248 3.225 483 HD13 LEU 55 HD13 LEU 55 -9.925 1.816 2.488 484 HD21 LEU 55 HD21 LEU 55 -8.180 3.111 -0.382 485 HD22 LEU 55 HD22 LEU 55 -8.466 1.701 0.657 486 HD23 LEU 55 HD23 LEU 55 -7.543 3.085 1.278 487 H ARG 56 HN ARG 56 -13.366 1.974 1.132 488 HA ARG 56 HA ARG 56 -15.249 2.453 -1.160 489 HB2 ARG 56 HB2 ARG 56 -15.365 0.098 -0.474 490 HB3 ARG 56 HB3 ARG 56 -15.516 0.588 1.236 491 HG2 ARG 56 HG2 ARG 56 -17.724 1.601 0.732 492 HG3 ARG 56 HG3 ARG 56 -17.528 1.118 -0.957 493 HD2 ARG 56 HD2 ARG 56 -17.022 -1.256 0.402 494 HD3 ARG 56 HD3 ARG 56 -18.244 -0.507 1.438 495 HE ARG 56 HE ARG 56 -19.594 -0.204 -0.649 496 HH11 ARG 56 HH11 ARG 56 -17.496 -3.077 -0.277 497 HH12 ARG 56 HH12 ARG 56 -17.936 -3.705 -1.853 498 HH21 ARG 56 HH21 ARG 56 -20.330 -1.216 -2.558 499 HH22 ARG 56 HH22 ARG 56 -19.779 -2.769 -3.020 500 H GLU 57 HN GLU 57 -16.619 4.139 -0.762 501 HA GLU 57 HA GLU 57 -17.322 4.569 1.991 502 HB2 GLU 57 HB2 GLU 57 -15.521 6.167 1.780 503 HB3 GLU 57 HB3 GLU 57 -16.367 6.964 0.452 504 HG2 GLU 57 HG2 GLU 57 -16.712 8.064 2.583 505 HG3 GLU 57 HG3 GLU 57 -18.250 7.504 1.942 506 H GLY 58 HN GLY 58 -19.359 4.508 2.006 507 HA2 GLY 58 HA1 GLY 58 -21.572 5.091 1.706 508 HA3 GLY 58 HA2 GLY 58 -21.072 6.244 0.471 509 H SER 59 HN SER 59 -20.700 5.425 -1.661 510 HA SER 59 HA SER 59 -21.320 2.634 -2.339 511 HB2 SER 59 HB2 SER 59 -22.836 4.903 -3.678 512 HB3 SER 59 HB3 SER 59 -22.901 3.200 -4.140 513 HG SER 59 HG SER 59 -23.862 2.682 -2.213 514 H LYS 60 HN LYS 60 -19.164 5.033 -2.456 515 HA LYS 60 HA LYS 60 -18.326 4.659 -5.272 516 HB2 LYS 60 HB2 LYS 60 -18.259 6.926 -4.512 517 HB3 LYS 60 HB3 LYS 60 -17.438 6.516 -3.013 518 HG2 LYS 60 HG2 LYS 60 -15.469 6.227 -4.109 519 HG3 LYS 60 HG3 LYS 60 -16.169 5.970 -5.705 520 HD2 LYS 60 HD2 LYS 60 -15.010 8.112 -5.563 521 HD3 LYS 60 HD3 LYS 60 -16.735 8.345 -5.870 522 HE2 LYS 60 HE2 LYS 60 -17.147 9.069 -3.620 523 HE3 LYS 60 HE3 LYS 60 -15.572 8.481 -3.068 524 HZ1 LYS 60 HZ1 LYS 60 -15.936 10.779 -4.893 525 HZ2 LYS 60 HZ2 LYS 60 -14.498 10.165 -4.344 526 HZ3 LYS 60 HZ3 LYS 60 -15.559 10.865 -3.316 527 H GLU 61 HN GLU 61 -16.278 3.724 -5.658 528 HA GLU 61 HA GLU 61 -14.714 2.766 -3.400 529 HB2 GLU 61 HB2 GLU 61 -15.824 1.081 -5.593 530 HB3 GLU 61 HB3 GLU 61 -14.066 0.957 -5.416 531 HG2 GLU 61 HG2 GLU 61 -14.166 0.120 -3.244 532 HG3 GLU 61 HG3 GLU 61 -15.758 0.811 -2.931 533 H PHE 62 HN PHE 62 -12.553 3.057 -3.766 534 HA PHE 62 HA PHE 62 -11.623 4.310 -6.253 535 HB2 PHE 62 HB2 PHE 62 -10.871 6.356 -5.144 536 HB3 PHE 62 HB3 PHE 62 -12.622 6.224 -5.131 537 HD1 PHE 62 HD1 PHE 62 -13.800 5.515 -2.945 538 HD2 PHE 62 HD2 PHE 62 -9.635 6.599 -3.111 539 HE1 PHE 62 HE1 PHE 62 -13.856 6.028 -0.530 540 HE2 PHE 62 HE2 PHE 62 -9.680 7.069 -0.674 541 HZ PHE 62 HZ PHE 62 -11.743 6.777 0.622 542 H GLY 63 HN GLY 63 -9.352 4.138 -6.431 543 HA2 GLY 63 HA1 GLY 63 -8.134 2.278 -4.495 544 HA3 GLY 63 HA2 GLY 63 -7.512 2.751 -6.064 545 H VAL 64 HN VAL 64 -6.311 2.828 -3.226 546 HA VAL 64 HA VAL 64 -5.166 5.540 -3.574 547 HB VAL 64 HB VAL 64 -5.138 5.964 -1.322 548 HG11 VAL 64 HG11 VAL 64 -7.890 4.776 -1.809 549 HG12 VAL 64 HG12 VAL 64 -7.464 6.010 -0.626 550 HG13 VAL 64 HG13 VAL 64 -7.325 6.356 -2.355 551 HG21 VAL 64 HG21 VAL 64 -5.975 3.141 -0.747 552 HG22 VAL 64 HG22 VAL 64 -4.457 3.957 -0.301 553 HG23 VAL 64 HG23 VAL 64 -5.969 4.481 0.444 554 H PHE 65 HN PHE 65 -2.995 5.690 -3.320 555 HA PHE 65 HA PHE 65 -1.517 3.095 -3.320 556 HB2 PHE 65 HB2 PHE 65 -0.755 5.759 -4.533 557 HB3 PHE 65 HB3 PHE 65 0.360 4.430 -4.364 558 HD1 PHE 65 HD2 PHE 65 -0.026 2.295 -5.693 559 HD2 PHE 65 HD1 PHE 65 -2.349 5.882 -6.293 560 HE1 PHE 65 HE2 PHE 65 -0.633 1.518 -7.983 561 HE2 PHE 65 HE1 PHE 65 -2.952 5.099 -8.569 562 HZ PHE 65 HZ PHE 65 -2.084 2.945 -9.431 563 H VAL 66 HN VAL 66 0.451 2.943 -2.130 564 HA VAL 66 HA VAL 66 0.637 4.897 0.134 565 HB VAL 66 HB VAL 66 1.223 1.929 0.350 566 HG11 VAL 66 HG11 VAL 66 2.318 3.043 2.113 567 HG12 VAL 66 HG12 VAL 66 1.090 4.293 2.257 568 HG13 VAL 66 HG13 VAL 66 0.744 2.667 2.837 569 HG21 VAL 66 HG21 VAL 66 -0.975 1.791 1.534 570 HG22 VAL 66 HG22 VAL 66 -1.361 3.421 0.940 571 HG23 VAL 66 HG23 VAL 66 -1.108 2.100 -0.198 572 H THR 67 HN THR 67 2.346 6.123 -0.090 573 HA THR 67 HA THR 67 4.711 5.409 -1.570 574 HB THR 67 HB THR 67 4.057 7.749 0.249 575 HG1 THR 67 HG1 THR 67 3.536 8.763 -1.751 576 HG21 THR 67 HG21 THR 67 6.029 7.549 -2.046 577 HG22 THR 67 HG22 THR 67 6.497 7.498 -0.334 578 HG23 THR 67 HG23 THR 67 5.779 8.956 -0.993 579 H ILE 68 HN ILE 68 5.424 3.476 -0.392 580 HA ILE 68 HA ILE 68 6.762 4.071 2.216 581 HB ILE 68 HB ILE 68 6.454 1.494 0.638 582 HG12 ILE 68 HG12 ILE 68 5.069 2.561 3.153 583 HG13 ILE 68 HG13 ILE 68 4.337 2.217 1.586 584 HG21 ILE 68 HG21 ILE 68 7.449 0.391 2.691 585 HG22 ILE 68 HG22 ILE 68 8.573 1.579 2.057 586 HG23 ILE 68 HG23 ILE 68 7.586 1.973 3.479 587 HD11 ILE 68 HD11 ILE 68 4.770 -0.197 1.895 588 HD12 ILE 68 HD12 ILE 68 5.398 0.147 3.536 589 HD13 ILE 68 HD13 ILE 68 3.724 0.515 3.142 590 H SER 69 HN SER 69 8.829 4.780 2.118 591 HA SER 69 HA SER 69 10.549 3.949 -0.160 592 HB2 SER 69 HB2 SER 69 10.792 6.488 1.489 593 HB3 SER 69 HB3 SER 69 11.814 5.979 0.129 594 HG SER 69 HG SER 69 10.178 7.531 -0.398 595 H PHE 70 HN PHE 70 12.374 2.827 0.443 596 HA PHE 70 HA PHE 70 12.977 2.543 3.276 597 HB2 PHE 70 HB2 PHE 70 12.496 0.247 3.436 598 HB3 PHE 70 HB3 PHE 70 11.044 0.960 2.779 599 HD1 PHE 70 HD2 PHE 70 10.533 0.652 0.293 600 HD2 PHE 70 HD1 PHE 70 13.788 -1.373 2.236 601 HE1 PHE 70 HE2 PHE 70 10.653 -0.997 -1.567 602 HE2 PHE 70 HE1 PHE 70 13.806 -3.095 0.430 603 HZ PHE 70 HZ PHE 70 12.217 -2.907 -1.468 604 H ASP 71 HN ASP 71 14.760 0.801 3.405 605 HA ASP 71 HA ASP 71 16.688 1.648 1.291 606 HB2 ASP 71 HB2 ASP 71 16.640 2.144 3.977 607 HB3 ASP 71 HB3 ASP 71 17.682 0.718 3.928 608 HA PRO 72 HA PRO 72 17.349 -2.619 0.270 609 HB2 PRO 72 HB2 PRO 72 19.669 -2.514 -1.170 610 HB3 PRO 72 HB3 PRO 72 18.119 -1.806 -1.769 611 HG2 PRO 72 HG2 PRO 72 20.399 -0.353 -0.396 612 HG3 PRO 72 HG3 PRO 72 19.543 0.089 -1.898 613 HD2 PRO 72 HD2 PRO 72 18.851 1.176 0.486 614 HD3 PRO 72 HD3 PRO 72 17.617 0.750 -0.735 615 H TYR 73 HN TYR 73 19.785 -0.746 1.964 616 HA TYR 73 HA TYR 73 21.781 -2.551 2.533 617 HB2 TYR 73 HB2 TYR 73 20.620 -0.242 4.083 618 HB3 TYR 73 HB3 TYR 73 21.877 -1.220 4.799 619 HD1 TYR 73 HD2 TYR 73 21.222 0.719 1.609 620 HD2 TYR 73 HD1 TYR 73 24.118 -0.682 4.491 621 HE1 TYR 73 HE2 TYR 73 22.938 2.109 0.555 622 HE2 TYR 73 HE1 TYR 73 25.832 0.748 3.464 623 HH TYR 73 HH TYR 73 26.326 1.898 1.435 624 H SER 74 HN SER 74 18.848 -1.987 4.556 625 HA SER 74 HA SER 74 18.728 -4.763 5.219 626 HB2 SER 74 HB2 SER 74 20.522 -3.371 6.816 627 HB3 SER 74 HB3 SER 74 19.053 -3.331 7.792 628 HG SER 74 HG SER 74 20.193 -5.661 6.569 629 H GLN 75 HN GLN 75 16.959 -2.695 4.079 630 HA GLN 75 HA GLN 75 14.825 -1.960 4.215 631 HB2 GLN 75 HB2 GLN 75 14.730 -4.687 5.491 632 HB3 GLN 75 HB3 GLN 75 13.317 -3.678 5.615 633 HG2 GLN 75 HG2 GLN 75 12.856 -4.931 3.776 634 HG3 GLN 75 HG3 GLN 75 13.350 -3.401 3.103 635 HE21 GLN 75 HE21 GLN 75 15.760 -3.233 2.304 636 HE22 GLN 75 HE22 GLN 75 16.218 -4.707 1.464 637 H LYS 76 HN LYS 76 16.363 -0.369 5.736 638 HA LYS 76 HA LYS 76 14.704 0.279 8.096 639 HB2 LYS 76 HB2 LYS 76 16.796 1.841 6.499 640 HB3 LYS 76 HB3 LYS 76 15.668 2.602 7.618 641 HG2 LYS 76 HG2 LYS 76 16.551 0.812 9.339 642 HG3 LYS 76 HG3 LYS 76 17.954 0.743 8.242 643 HD2 LYS 76 HD2 LYS 76 18.000 3.307 8.418 644 HD3 LYS 76 HD3 LYS 76 16.808 3.168 9.703 645 HE2 LYS 76 HE2 LYS 76 18.393 1.815 11.032 646 HE3 LYS 76 HE3 LYS 76 19.591 1.911 9.731 647 HZ1 LYS 76 HZ1 LYS 76 19.774 4.260 10.079 648 HZ2 LYS 76 HZ2 LYS 76 19.916 3.561 11.549 649 HZ3 LYS 76 HZ3 LYS 76 18.531 4.318 11.121 650 H VAL 77 HN VAL 77 12.694 1.248 7.763 651 HA VAL 77 HA VAL 77 11.996 2.153 5.047 652 HB VAL 77 HB VAL 77 10.317 1.037 5.980 653 HG11 VAL 77 HG11 VAL 77 9.169 1.446 8.091 654 HG12 VAL 77 HG12 VAL 77 10.829 0.876 8.272 655 HG13 VAL 77 HG13 VAL 77 10.459 2.606 8.540 656 HG21 VAL 77 HG21 VAL 77 9.507 3.922 6.375 657 HG22 VAL 77 HG22 VAL 77 9.629 3.085 4.813 658 HG23 VAL 77 HG23 VAL 77 8.449 2.546 6.006 659 H ASN 78 HN ASN 78 12.434 4.107 4.419 660 HA ASN 78 HA ASN 78 13.909 5.896 6.220 661 HB2 ASN 78 HB2 ASN 78 13.356 5.946 3.216 662 HB3 ASN 78 HB3 ASN 78 14.337 7.126 4.074 663 HD21 ASN 78 HD21 ASN 78 14.935 4.724 2.015 664 HD22 ASN 78 HD22 ASN 78 16.328 4.016 2.803 665 H LYS 79 HN LYS 79 10.930 5.953 4.160 666 HA LYS 79 HA LYS 79 9.766 7.961 5.925 667 HB2 LYS 79 HB2 LYS 79 11.013 8.653 3.337 668 HB3 LYS 79 HB3 LYS 79 9.307 9.014 3.307 669 HG2 LYS 79 HG2 LYS 79 11.175 9.970 5.533 670 HG3 LYS 79 HG3 LYS 79 10.826 10.889 4.064 671 HD2 LYS 79 HD2 LYS 79 8.360 10.716 4.634 672 HD3 LYS 79 HD3 LYS 79 8.827 10.064 6.213 673 HE2 LYS 79 HE2 LYS 79 10.014 12.095 6.781 674 HE3 LYS 79 HE3 LYS 79 9.851 12.717 5.131 675 HZ1 LYS 79 HZ1 LYS 79 7.553 12.190 6.911 676 HZ2 LYS 79 HZ2 LYS 79 7.490 12.868 5.434 677 HZ3 LYS 79 HZ3 LYS 79 8.245 13.684 6.663 678 H ILE 80 HN ILE 80 7.451 8.267 5.447 679 HA ILE 80 HA ILE 80 6.267 6.366 3.585 680 HB ILE 80 HB ILE 80 5.318 6.626 6.461 681 HG12 ILE 80 HG12 ILE 80 6.696 4.297 5.037 682 HG13 ILE 80 HG13 ILE 80 7.361 5.269 6.359 683 HG21 ILE 80 HG21 ILE 80 3.455 6.303 4.851 684 HG22 ILE 80 HG22 ILE 80 4.285 4.896 4.158 685 HG23 ILE 80 HG23 ILE 80 3.680 4.878 5.833 686 HD11 ILE 80 HD11 ILE 80 5.098 3.275 6.538 687 HD12 ILE 80 HD12 ILE 80 6.670 3.244 7.342 688 HD13 ILE 80 HD13 ILE 80 5.473 4.455 7.826 689 H ALA 81 HN ALA 81 4.462 7.264 2.593 690 HA ALA 81 HA ALA 81 2.943 9.474 3.698 691 HB1 ALA 81 HB1 ALA 81 2.999 10.668 1.417 692 HB2 ALA 81 HB2 ALA 81 4.433 10.836 2.424 693 HB3 ALA 81 HB3 ALA 81 4.441 9.719 1.050 694 H ILE 82 HN ILE 82 1.046 9.816 1.877 695 HA ILE 82 HA ILE 82 0.155 7.203 0.807 696 HB ILE 82 HB ILE 82 -1.167 9.080 2.758 697 HG12 ILE 82 HG12 ILE 82 0.080 6.992 3.494 698 HG13 ILE 82 HG13 ILE 82 -1.558 7.150 4.076 699 HG21 ILE 82 HG21 ILE 82 -2.784 7.228 0.977 700 HG22 ILE 82 HG22 ILE 82 -3.355 8.008 2.471 701 HG23 ILE 82 HG23 ILE 82 -2.891 8.995 1.097 702 HD11 ILE 82 HD11 ILE 82 -0.906 5.485 1.653 703 HD12 ILE 82 HD12 ILE 82 -0.899 4.837 3.303 704 HD13 ILE 82 HD13 ILE 82 -2.396 5.476 2.619 705 H LEU 83 HN LEU 83 -1.586 7.545 -0.899 706 HA LEU 83 HA LEU 83 -1.725 10.160 -2.202 707 HB2 LEU 83 HB2 LEU 83 0.273 8.907 -3.162 708 HB3 LEU 83 HB3 LEU 83 -0.768 7.572 -3.501 709 HG LEU 83 HG LEU 83 -0.076 9.018 -5.415 710 HD11 LEU 83 HD11 LEU 83 -1.743 8.156 -6.562 711 HD12 LEU 83 HD12 LEU 83 -2.905 9.271 -5.875 712 HD13 LEU 83 HD13 LEU 83 -2.569 7.737 -5.053 713 HD21 LEU 83 HD21 LEU 83 -1.147 11.110 -5.878 714 HD22 LEU 83 HD22 LEU 83 -0.323 11.210 -4.311 715 HD23 LEU 83 HD23 LEU 83 -2.092 11.038 -4.377 716 H GLU 84 HN GLU 84 -3.749 10.178 -3.529 717 HA GLU 84 HA GLU 84 -5.526 7.851 -3.114 718 HB2 GLU 84 HB2 GLU 84 -5.778 10.011 -1.515 719 HB3 GLU 84 HB3 GLU 84 -6.455 10.730 -2.981 720 HG2 GLU 84 HG2 GLU 84 -8.092 8.660 -2.934 721 HG3 GLU 84 HG3 GLU 84 -7.499 8.456 -1.306 722 H GLU 85 HN GLU 85 -6.941 7.533 -4.845 723 HA GLU 85 HA GLU 85 -6.230 8.811 -7.384 724 HB2 GLU 85 HB2 GLU 85 -6.939 6.398 -7.197 725 HB3 GLU 85 HB3 GLU 85 -8.573 6.946 -6.800 726 HG2 GLU 85 HG2 GLU 85 -8.661 8.072 -9.026 727 HG3 GLU 85 HG3 GLU 85 -7.003 7.547 -9.359 728 H TYR 86 HN TYR 86 -7.561 10.336 -8.531 729 HA TYR 86 HA TYR 86 -9.921 11.485 -7.261 730 HB2 TYR 86 HB2 TYR 86 -8.975 13.753 -7.614 731 HB3 TYR 86 HB3 TYR 86 -8.143 12.859 -6.346 732 HD1 TYR 86 HD1 TYR 86 -5.813 12.077 -6.704 733 HD2 TYR 86 HD2 TYR 86 -7.903 14.363 -9.702 734 HE1 TYR 86 HE1 TYR 86 -3.695 12.333 -7.973 735 HE2 TYR 86 HE2 TYR 86 -5.828 14.618 -10.977 736 HH TYR 86 HH TYR 86 -3.577 14.171 -11.057 737 H GLN 87 HN GLN 87 -11.269 12.347 -8.899 738 HA GLN 87 HA GLN 87 -10.527 11.428 -11.643 739 HB2 GLN 87 HB2 GLN 87 -13.325 11.818 -10.647 740 HB3 GLN 87 HB3 GLN 87 -12.760 10.832 -11.978 741 HG2 GLN 87 HG2 GLN 87 -12.410 10.245 -9.018 742 HG3 GLN 87 HG3 GLN 87 -13.609 9.536 -10.093 743 HE21 GLN 87 HE21 GLN 87 -11.474 8.367 -8.337 744 HE22 GLN 87 HE22 GLN 87 -10.701 7.208 -9.402 Start of MODEL 13 1 H1 GLY 1 HN GLY 1 -15.295 -12.860 10.063 2 HA2 GLY 1 HA1 GLY 1 -14.940 -14.831 8.646 3 HA3 GLY 1 HA2 GLY 1 -15.750 -13.527 7.754 4 H GLU 2 HN GLU 2 -14.352 -12.063 6.412 5 HA GLU 2 HA GLU 2 -11.781 -13.250 5.551 6 HB2 GLU 2 HB2 GLU 2 -12.410 -12.849 3.254 7 HB3 GLU 2 HB3 GLU 2 -13.651 -13.849 4.018 8 HG2 GLU 2 HG2 GLU 2 -14.956 -11.652 4.420 9 HG3 GLU 2 HG3 GLU 2 -13.780 -10.870 3.360 10 H GLU 3 HN GLU 3 -10.528 -11.458 4.256 11 HA GLU 3 HA GLU 3 -11.186 -8.740 5.351 12 HB2 GLU 3 HB2 GLU 3 -8.512 -9.844 4.400 13 HB3 GLU 3 HB3 GLU 3 -8.850 -8.194 4.926 14 HG2 GLU 3 HG2 GLU 3 -9.370 -8.993 7.212 15 HG3 GLU 3 HG3 GLU 3 -9.103 -10.664 6.709 16 H THR 4 HN THR 4 -10.706 -10.762 2.479 17 HA THR 4 HA THR 4 -11.190 -8.467 0.685 18 HB THR 4 HB THR 4 -9.470 -9.732 -0.807 19 HG1 THR 4 HG1 THR 4 -8.504 -11.386 0.078 20 HG21 THR 4 HG21 THR 4 -7.560 -8.558 0.189 21 HG22 THR 4 HG22 THR 4 -8.460 -8.326 1.705 22 HG23 THR 4 HG23 THR 4 -9.004 -7.530 0.215 23 HA PRO 5 HA PRO 5 -13.821 -11.594 -1.319 24 HB2 PRO 5 HB2 PRO 5 -14.115 -10.552 -3.817 25 HB3 PRO 5 HB3 PRO 5 -14.851 -9.794 -2.377 26 HG2 PRO 5 HG2 PRO 5 -12.244 -9.088 -3.728 27 HG3 PRO 5 HG3 PRO 5 -13.560 -7.976 -3.239 28 HD2 PRO 5 HD2 PRO 5 -11.321 -8.408 -1.707 29 HD3 PRO 5 HD3 PRO 5 -12.918 -8.066 -0.988 30 H LEU 6 HN LEU 6 -10.533 -11.351 -1.653 31 HA LEU 6 HA LEU 6 -10.507 -13.877 -3.122 32 HB2 LEU 6 HB2 LEU 6 -8.207 -13.410 -3.801 33 HB3 LEU 6 HB3 LEU 6 -9.431 -12.587 -4.728 34 HG LEU 6 HG LEU 6 -8.309 -10.964 -2.473 35 HD11 LEU 6 HD11 LEU 6 -6.523 -11.724 -4.815 36 HD12 LEU 6 HD12 LEU 6 -6.305 -12.199 -3.118 37 HD13 LEU 6 HD13 LEU 6 -6.193 -10.495 -3.581 38 HD21 LEU 6 HD21 LEU 6 -8.644 -10.361 -5.436 39 HD22 LEU 6 HD22 LEU 6 -8.274 -9.200 -4.144 40 HD23 LEU 6 HD23 LEU 6 -9.834 -10.032 -4.160 41 H VAL 7 HN VAL 7 -10.629 -15.044 -1.241 42 HA VAL 7 HA VAL 7 -8.695 -14.708 0.917 43 HB VAL 7 HB VAL 7 -10.437 -17.053 0.034 44 HG11 VAL 7 HG11 VAL 7 -10.027 -17.928 2.346 45 HG12 VAL 7 HG12 VAL 7 -8.587 -17.961 1.317 46 HG13 VAL 7 HG13 VAL 7 -8.767 -16.690 2.545 47 HG21 VAL 7 HG21 VAL 7 -11.837 -16.415 1.972 48 HG22 VAL 7 HG22 VAL 7 -10.764 -15.035 2.309 49 HG23 VAL 7 HG23 VAL 7 -11.725 -15.076 0.824 50 H THR 8 HN THR 8 -8.951 -16.447 -2.205 51 HA THR 8 HA THR 8 -6.565 -17.982 -1.987 52 HB THR 8 HB THR 8 -8.236 -17.084 -4.356 53 HG1 THR 8 HG1 THR 8 -8.869 -19.265 -4.230 54 HG21 THR 8 HG21 THR 8 -5.863 -19.016 -4.268 55 HG22 THR 8 HG22 THR 8 -5.922 -17.469 -5.136 56 HG23 THR 8 HG23 THR 8 -6.973 -18.805 -5.647 57 H ALA 9 HN ALA 9 -4.873 -16.789 -1.304 58 HA ALA 9 HA ALA 9 -3.093 -15.698 -3.149 59 HB1 ALA 9 HB1 ALA 9 -4.727 -13.606 -1.686 60 HB2 ALA 9 HB2 ALA 9 -3.073 -13.297 -2.258 61 HB3 ALA 9 HB3 ALA 9 -4.346 -13.733 -3.417 62 H ARG 10 HN ARG 10 -1.961 -17.319 -1.893 63 HA ARG 10 HA ARG 10 -1.338 -16.658 0.949 64 HB2 ARG 10 HB2 ARG 10 -0.505 -18.941 -0.904 65 HB3 ARG 10 HB3 ARG 10 0.211 -18.692 0.684 66 HG2 ARG 10 HG2 ARG 10 -1.920 -18.965 1.813 67 HG3 ARG 10 HG3 ARG 10 -2.754 -19.158 0.276 68 HD2 ARG 10 HD2 ARG 10 -0.507 -20.946 1.247 69 HD3 ARG 10 HD3 ARG 10 -2.219 -21.324 1.480 70 HE ARG 10 HE ARG 10 -2.404 -21.153 -1.045 71 HH11 ARG 10 HH11 ARG 10 0.593 -22.449 0.506 72 HH12 ARG 10 HH12 ARG 10 1.089 -23.287 -0.932 73 HH21 ARG 10 HH21 ARG 10 -1.691 -22.321 -2.883 74 HH22 ARG 10 HH22 ARG 10 -0.195 -23.198 -2.835 75 H HIS 11 HN HIS 11 0.906 -16.507 1.535 76 HA HIS 11 HA HIS 11 3.043 -15.991 1.463 77 HB2 HIS 11 HB2 HIS 11 2.863 -17.753 -0.444 78 HB3 HIS 11 HB3 HIS 11 3.267 -16.402 -1.500 79 HD1 HIS 11 HD1 HIS 11 5.727 -15.173 -0.812 80 HD2 HIS 11 HD2 HIS 11 4.747 -18.943 0.788 81 HE1 HIS 11 HE1 HIS 11 7.904 -16.163 0.068 82 H MET 12 HN MET 12 3.161 -13.955 2.059 83 HA MET 12 HA MET 12 2.338 -11.765 0.229 84 HB2 MET 12 HB2 MET 12 1.812 -12.467 3.089 85 HB3 MET 12 HB3 MET 12 2.189 -10.799 2.823 86 HG2 MET 12 HG2 MET 12 0.089 -12.306 1.229 87 HG3 MET 12 HG3 MET 12 -0.236 -11.445 2.731 88 HE1 MET 12 HE1 MET 12 -1.155 -9.572 2.842 89 HE2 MET 12 HE2 MET 12 -1.071 -8.094 1.884 90 HE3 MET 12 HE3 MET 12 -2.123 -9.437 1.360 91 H SER 13 HN SER 13 3.331 -9.590 1.210 92 HA SER 13 HA SER 13 6.222 -9.824 0.680 93 HB2 SER 13 HB2 SER 13 4.146 -7.626 0.578 94 HB3 SER 13 HB3 SER 13 5.835 -7.262 0.418 95 HG SER 13 HG SER 13 5.858 -8.824 -1.341 96 H LYS 14 HN LYS 14 7.603 -8.031 1.760 97 HA LYS 14 HA LYS 14 7.481 -8.208 4.679 98 HB2 LYS 14 HB2 LYS 14 9.638 -8.105 3.358 99 HB3 LYS 14 HB3 LYS 14 9.187 -6.491 2.792 100 HG2 LYS 14 HG2 LYS 14 10.692 -6.089 4.492 101 HG3 LYS 14 HG3 LYS 14 9.158 -5.706 5.196 102 HD2 LYS 14 HD2 LYS 14 9.549 -8.459 5.825 103 HD3 LYS 14 HD3 LYS 14 11.141 -7.715 5.995 104 HE2 LYS 14 HE2 LYS 14 10.151 -5.961 7.458 105 HE3 LYS 14 HE3 LYS 14 8.568 -6.747 7.311 106 HZ1 LYS 14 HZ1 LYS 14 10.923 -8.139 8.461 107 HZ2 LYS 14 HZ2 LYS 14 9.373 -8.645 8.468 108 HZ3 LYS 14 HZ3 LYS 14 9.800 -7.335 9.352 109 H TRP 15 HN TRP 15 6.711 -5.828 2.213 110 HA TRP 15 HA TRP 15 6.053 -3.783 4.225 111 HB2 TRP 15 HB2 TRP 15 6.360 -3.640 1.194 112 HB3 TRP 15 HB3 TRP 15 6.103 -2.277 2.260 113 HD1 TRP 15 HD1 TRP 15 8.983 -4.328 0.851 114 HE1 TRP 15 HE1 TRP 15 11.149 -3.698 1.962 115 HE3 TRP 15 HE3 TRP 15 7.128 -1.329 4.603 116 HZ2 TRP 15 HZ2 TRP 15 11.993 -2.058 4.249 117 HZ3 TRP 15 HZ3 TRP 15 8.655 -0.417 6.325 118 HH2 TRP 15 HH2 TRP 15 11.091 -0.855 6.195 119 H GLU 16 HN GLU 16 4.171 -6.179 3.266 120 HA GLU 16 HA GLU 16 2.023 -4.851 1.913 121 HB2 GLU 16 HB2 GLU 16 0.854 -6.979 2.140 122 HB3 GLU 16 HB3 GLU 16 2.448 -7.174 1.550 123 HG2 GLU 16 HG2 GLU 16 2.669 -8.777 3.000 124 HG3 GLU 16 HG3 GLU 16 2.943 -7.565 4.215 125 H GLU 17 HN GLU 17 2.300 -6.048 5.319 126 HA GLU 17 HA GLU 17 -0.286 -5.103 6.058 127 HB2 GLU 17 HB2 GLU 17 2.226 -5.628 7.711 128 HB3 GLU 17 HB3 GLU 17 0.716 -5.049 8.401 129 HG2 GLU 17 HG2 GLU 17 -0.388 -7.110 7.268 130 HG3 GLU 17 HG3 GLU 17 1.265 -7.738 7.174 131 H ILE 18 HN ILE 18 2.907 -3.536 5.989 132 HA ILE 18 HA ILE 18 2.165 -1.146 7.392 133 HB ILE 18 HB ILE 18 4.276 -1.718 5.295 134 HG12 ILE 18 HG12 ILE 18 4.688 -1.205 8.256 135 HG13 ILE 18 HG13 ILE 18 4.255 -2.804 7.718 136 HG21 ILE 18 HG21 ILE 18 3.982 0.775 7.024 137 HG22 ILE 18 HG22 ILE 18 5.392 0.393 6.009 138 HG23 ILE 18 HG23 ILE 18 3.823 0.710 5.259 139 HD11 ILE 18 HD11 ILE 18 6.252 -2.843 6.221 140 HD12 ILE 18 HD12 ILE 18 6.718 -1.264 6.933 141 HD13 ILE 18 HD13 ILE 18 6.650 -2.710 7.935 142 H ALA 19 HN ALA 19 2.068 -1.986 3.893 143 HA ALA 19 HA ALA 19 0.964 0.508 3.091 144 HB1 ALA 19 HB1 ALA 19 2.029 -1.082 1.492 145 HB2 ALA 19 HB2 ALA 19 0.713 -2.240 1.761 146 HB3 ALA 19 HB3 ALA 19 0.373 -0.681 0.991 147 H VAL 20 HN VAL 20 -0.709 -2.667 3.761 148 HA VAL 20 HA VAL 20 -3.267 -1.599 3.244 149 HB VAL 20 HB VAL 20 -2.341 -3.890 5.052 150 HG11 VAL 20 HG11 VAL 20 -4.669 -3.287 5.639 151 HG12 VAL 20 HG12 VAL 20 -5.142 -3.384 3.929 152 HG13 VAL 20 HG13 VAL 20 -4.611 -4.838 4.812 153 HG21 VAL 20 HG21 VAL 20 -1.745 -4.041 2.565 154 HG22 VAL 20 HG22 VAL 20 -2.711 -5.354 3.211 155 HG23 VAL 20 HG23 VAL 20 -3.476 -4.075 2.240 156 H LYS 21 HN LYS 21 -1.443 -1.854 6.397 157 HA LYS 21 HA LYS 21 -3.508 -0.956 8.050 158 HB2 LYS 21 HB2 LYS 21 -0.506 -0.809 8.386 159 HB3 LYS 21 HB3 LYS 21 -1.617 -0.170 9.590 160 HG2 LYS 21 HG2 LYS 21 -2.707 -2.327 9.890 161 HG3 LYS 21 HG3 LYS 21 -1.717 -3.063 8.628 162 HD2 LYS 21 HD2 LYS 21 0.331 -2.574 9.974 163 HD3 LYS 21 HD3 LYS 21 -0.710 -1.894 11.254 164 HE2 LYS 21 HE2 LYS 21 -1.904 -4.142 11.332 165 HE3 LYS 21 HE3 LYS 21 -0.681 -4.773 10.232 166 HZ1 LYS 21 HZ1 LYS 21 0.683 -5.074 11.944 167 HZ2 LYS 21 HZ2 LYS 21 -0.515 -4.710 12.964 168 HZ3 LYS 21 HZ3 LYS 21 0.520 -3.522 12.476 169 H GLU 22 HN GLU 22 -1.062 1.003 6.262 170 HA GLU 22 HA GLU 22 -1.933 3.552 7.182 171 HB2 GLU 22 HB2 GLU 22 -0.362 2.469 4.889 172 HB3 GLU 22 HB3 GLU 22 -1.131 4.020 4.640 173 HG2 GLU 22 HG2 GLU 22 0.392 3.677 7.177 174 HG3 GLU 22 HG3 GLU 22 1.311 3.811 5.690 175 H ALA 23 HN ALA 23 -2.808 1.802 4.149 176 HA ALA 23 HA ALA 23 -4.725 3.717 3.308 177 HB1 ALA 23 HB1 ALA 23 -3.647 2.141 1.790 178 HB2 ALA 23 HB2 ALA 23 -4.445 0.768 2.600 179 HB3 ALA 23 HB3 ALA 23 -5.409 1.959 1.696 180 H LYS 24 HN LYS 24 -5.099 1.276 5.766 181 HA LYS 24 HA LYS 24 -8.073 1.674 5.704 182 HB2 LYS 24 HB2 LYS 24 -8.352 -0.255 6.937 183 HB3 LYS 24 HB3 LYS 24 -7.119 -0.646 5.722 184 HG2 LYS 24 HG2 LYS 24 -5.360 -0.198 7.391 185 HG3 LYS 24 HG3 LYS 24 -6.589 0.140 8.610 186 HD2 LYS 24 HD2 LYS 24 -6.541 -2.505 7.094 187 HD3 LYS 24 HD3 LYS 24 -5.428 -2.257 8.445 188 HE2 LYS 24 HE2 LYS 24 -8.430 -1.815 8.678 189 HE3 LYS 24 HE3 LYS 24 -7.643 -3.372 9.019 190 HZ1 LYS 24 HZ1 LYS 24 -6.720 -0.931 10.360 191 HZ2 LYS 24 HZ2 LYS 24 -6.536 -2.501 10.811 192 HZ3 LYS 24 HZ3 LYS 24 -8.010 -1.778 10.927 193 H LYS 25 HN LYS 25 -5.335 3.034 7.347 194 HA LYS 25 HA LYS 25 -7.081 3.550 9.708 195 HB2 LYS 25 HB2 LYS 25 -5.203 4.266 10.947 196 HB3 LYS 25 HB3 LYS 25 -4.978 2.666 10.303 197 HG2 LYS 25 HG2 LYS 25 -2.920 3.381 9.941 198 HG3 LYS 25 HG3 LYS 25 -3.592 4.028 8.450 199 HD2 LYS 25 HD2 LYS 25 -3.656 6.261 9.346 200 HD3 LYS 25 HD3 LYS 25 -3.330 5.665 10.996 201 HE2 LYS 25 HE2 LYS 25 -1.132 4.945 10.431 202 HE3 LYS 25 HE3 LYS 25 -1.409 5.139 8.704 203 HZ1 LYS 25 HZ1 LYS 25 -0.089 6.915 9.850 204 HZ2 LYS 25 HZ2 LYS 25 -1.491 7.461 10.519 205 HZ3 LYS 25 HZ3 LYS 25 -1.254 7.429 8.869 206 H ARG 26 HN ARG 26 -5.230 5.175 7.181 207 HA ARG 26 HA ARG 26 -5.771 7.837 8.162 208 HB2 ARG 26 HB2 ARG 26 -3.839 7.165 6.745 209 HB3 ARG 26 HB3 ARG 26 -4.922 7.096 5.337 210 HG2 ARG 26 HG2 ARG 26 -5.339 9.439 5.410 211 HG3 ARG 26 HG3 ARG 26 -4.865 9.553 7.117 212 HD2 ARG 26 HD2 ARG 26 -2.513 8.966 6.325 213 HD3 ARG 26 HD3 ARG 26 -3.082 9.267 4.675 214 HE ARG 26 HE ARG 26 -2.237 11.169 6.584 215 HH11 ARG 26 HH11 ARG 26 -5.045 10.956 4.289 216 HH12 ARG 26 HH12 ARG 26 -5.021 12.628 3.971 217 HH21 ARG 26 HH21 ARG 26 -2.531 13.431 6.362 218 HH22 ARG 26 HH22 ARG 26 -3.713 14.044 5.268 219 H TYR 27 HN TYR 27 -8.180 5.861 7.341 220 HA TYR 27 HA TYR 27 -9.684 7.810 5.676 221 HB2 TYR 27 HB2 TYR 27 -9.145 4.875 5.048 222 HB3 TYR 27 HB3 TYR 27 -10.408 5.834 4.275 223 HD1 TYR 27 HD1 TYR 27 -9.820 8.010 3.195 224 HD2 TYR 27 HD2 TYR 27 -6.887 5.032 4.159 225 HE1 TYR 27 HE1 TYR 27 -8.151 9.211 1.809 226 HE2 TYR 27 HE2 TYR 27 -5.282 6.072 2.582 227 HH TYR 27 HH TYR 27 -5.904 9.260 1.105 228 HA PRO 28 HA PRO 28 -11.704 5.991 9.415 229 HB2 PRO 28 HB2 PRO 28 -12.637 8.322 10.539 230 HB3 PRO 28 HB3 PRO 28 -10.966 7.716 10.750 231 HG2 PRO 28 HG2 PRO 28 -11.957 9.846 8.838 232 HG3 PRO 28 HG3 PRO 28 -10.444 9.816 9.812 233 HD2 PRO 28 HD2 PRO 28 -10.468 9.188 7.200 234 HD3 PRO 28 HD3 PRO 28 -9.356 8.462 8.398 235 H LEU 29 HN LEU 29 -12.855 7.919 6.804 236 HA LEU 29 HA LEU 29 -15.713 7.629 7.449 237 HB2 LEU 29 HB2 LEU 29 -14.449 9.046 5.084 238 HB3 LEU 29 HB3 LEU 29 -16.034 9.295 5.798 239 HG LEU 29 HG LEU 29 -13.333 10.144 6.900 240 HD11 LEU 29 HD11 LEU 29 -14.207 12.354 6.770 241 HD12 LEU 29 HD12 LEU 29 -15.824 11.768 6.353 242 HD13 LEU 29 HD13 LEU 29 -14.489 11.584 5.193 243 HD21 LEU 29 HD21 LEU 29 -14.575 9.384 8.863 244 HD22 LEU 29 HD22 LEU 29 -16.037 10.218 8.296 245 HD23 LEU 29 HD23 LEU 29 -14.609 11.139 8.829 246 H ALA 30 HN ALA 30 -13.513 5.623 6.152 247 HA ALA 30 HA ALA 30 -15.271 4.438 4.124 248 HB1 ALA 30 HB1 ALA 30 -13.400 4.476 2.467 249 HB2 ALA 30 HB2 ALA 30 -13.938 6.098 2.891 250 HB3 ALA 30 HB3 ALA 30 -12.430 5.475 3.572 251 H GLN 31 HN GLN 31 -13.837 2.454 3.209 252 HA GLN 31 HA GLN 31 -12.357 1.035 5.368 253 HB2 GLN 31 HB2 GLN 31 -14.547 -0.257 3.718 254 HB3 GLN 31 HB3 GLN 31 -13.727 -0.917 5.129 255 HG2 GLN 31 HG2 GLN 31 -14.884 0.769 6.573 256 HG3 GLN 31 HG3 GLN 31 -15.694 1.403 5.124 257 HE21 GLN 31 HE21 GLN 31 -16.572 -0.558 3.707 258 HE22 GLN 31 HE22 GLN 31 -17.790 -1.473 4.605 259 H VAL 32 HN VAL 32 -11.039 -0.761 4.385 260 HA VAL 32 HA VAL 32 -10.454 -0.145 1.532 261 HB VAL 32 HB VAL 32 -8.676 0.174 3.349 262 HG11 VAL 32 HG11 VAL 32 -8.820 -1.979 4.515 263 HG12 VAL 32 HG12 VAL 32 -8.348 -2.845 3.036 264 HG13 VAL 32 HG13 VAL 32 -7.212 -1.745 3.811 265 HG21 VAL 32 HG21 VAL 32 -8.193 0.295 0.965 266 HG22 VAL 32 HG22 VAL 32 -6.869 -0.473 1.839 267 HG23 VAL 32 HG23 VAL 32 -7.989 -1.471 0.887 268 H LEU 33 HN LEU 33 -10.671 -1.912 0.016 269 HA LEU 33 HA LEU 33 -11.721 -4.488 0.986 270 HB2 LEU 33 HB2 LEU 33 -12.134 -2.923 -1.603 271 HB3 LEU 33 HB3 LEU 33 -13.002 -4.347 -1.069 272 HG LEU 33 HG LEU 33 -13.537 -2.856 1.086 273 HD11 LEU 33 HD11 LEU 33 -13.408 -0.768 -1.129 274 HD12 LEU 33 HD12 LEU 33 -12.210 -0.822 0.137 275 HD13 LEU 33 HD13 LEU 33 -13.862 -0.552 0.603 276 HD21 LEU 33 HD21 LEU 33 -14.852 -2.536 -1.602 277 HD22 LEU 33 HD22 LEU 33 -15.602 -2.160 -0.022 278 HD23 LEU 33 HD23 LEU 33 -15.182 -3.840 -0.427 279 H PHE 34 HN PHE 34 -8.788 -3.589 -0.145 280 HA PHE 34 HA PHE 34 -8.344 -5.866 -1.964 281 HB2 PHE 34 HB2 PHE 34 -8.776 -3.043 -2.683 282 HB3 PHE 34 HB3 PHE 34 -7.172 -3.479 -3.081 283 HD1 PHE 34 HD2 PHE 34 -6.864 -5.725 -4.515 284 HD2 PHE 34 HD1 PHE 34 -10.604 -3.605 -4.100 285 HE1 PHE 34 HE2 PHE 34 -7.697 -6.787 -6.575 286 HE2 PHE 34 HE1 PHE 34 -11.420 -4.658 -6.166 287 HZ PHE 34 HZ PHE 34 -9.980 -6.249 -7.424 288 H LYS 35 HN LYS 35 -5.993 -6.359 -1.982 289 HA LYS 35 HA LYS 35 -4.194 -4.769 -0.325 290 HB2 LYS 35 HB2 LYS 35 -4.699 -7.669 0.462 291 HB3 LYS 35 HB3 LYS 35 -3.520 -6.576 1.162 292 HG2 LYS 35 HG2 LYS 35 -5.451 -5.209 2.061 293 HG3 LYS 35 HG3 LYS 35 -6.554 -6.460 1.458 294 HD2 LYS 35 HD2 LYS 35 -4.323 -6.885 3.500 295 HD3 LYS 35 HD3 LYS 35 -6.037 -6.741 3.861 296 HE2 LYS 35 HE2 LYS 35 -6.510 -8.817 2.655 297 HE3 LYS 35 HE3 LYS 35 -4.845 -8.932 2.126 298 HZ1 LYS 35 HZ1 LYS 35 -4.150 -9.209 4.402 299 HZ2 LYS 35 HZ2 LYS 35 -5.317 -10.339 4.018 300 HZ3 LYS 35 HZ3 LYS 35 -5.691 -9.021 4.940 301 H GLN 36 HN GLN 36 -3.146 -4.627 -2.558 302 HA GLN 36 HA GLN 36 -1.536 -7.032 -3.228 303 HB2 GLN 36 HB2 GLN 36 -3.116 -5.407 -5.255 304 HB3 GLN 36 HB3 GLN 36 -2.076 -6.782 -5.580 305 HG2 GLN 36 HG2 GLN 36 -3.582 -8.173 -4.091 306 HG3 GLN 36 HG3 GLN 36 -4.690 -6.794 -4.069 307 HE21 GLN 36 HE21 GLN 36 -5.007 -9.643 -5.165 308 HE22 GLN 36 HE22 GLN 36 -5.550 -9.363 -6.813 309 H LYS 37 HN LYS 37 0.413 -6.591 -4.352 310 HA LYS 37 HA LYS 37 1.517 -3.878 -3.974 311 HB2 LYS 37 HB2 LYS 37 3.577 -4.711 -4.792 312 HB3 LYS 37 HB3 LYS 37 3.000 -5.882 -3.618 313 HG2 LYS 37 HG2 LYS 37 2.619 -7.503 -5.297 314 HG3 LYS 37 HG3 LYS 37 2.496 -6.298 -6.574 315 HD2 LYS 37 HD2 LYS 37 4.941 -5.844 -6.410 316 HD3 LYS 37 HD3 LYS 37 5.070 -7.256 -5.310 317 HE2 LYS 37 HE2 LYS 37 3.906 -8.640 -7.054 318 HE3 LYS 37 HE3 LYS 37 3.784 -7.234 -8.094 319 HZ1 LYS 37 HZ1 LYS 37 6.187 -7.225 -8.297 320 HZ2 LYS 37 HZ2 LYS 37 5.493 -8.609 -8.794 321 HZ3 LYS 37 HZ3 LYS 37 6.313 -8.596 -7.361 322 H VAL 38 HN VAL 38 2.533 -2.777 -5.939 323 HA VAL 38 HA VAL 38 1.706 -3.967 -8.507 324 HB VAL 38 HB VAL 38 1.445 -1.611 -9.457 325 HG11 VAL 38 HG11 VAL 38 -0.386 -3.259 -9.240 326 HG12 VAL 38 HG12 VAL 38 -0.699 -2.707 -7.591 327 HG13 VAL 38 HG13 VAL 38 -0.973 -1.609 -8.960 328 HG21 VAL 38 HG21 VAL 38 0.580 0.135 -8.012 329 HG22 VAL 38 HG22 VAL 38 0.794 -0.875 -6.585 330 HG23 VAL 38 HG23 VAL 38 2.206 -0.299 -7.492 331 H TRP 39 HN TRP 39 4.043 -1.917 -6.716 332 HA TRP 39 HA TRP 39 5.835 -2.133 -9.098 333 HB2 TRP 39 HB2 TRP 39 4.672 0.062 -8.592 334 HB3 TRP 39 HB3 TRP 39 5.601 0.135 -7.102 335 HD1 TRP 39 HD1 TRP 39 6.573 -0.582 -10.800 336 HE1 TRP 39 HE1 TRP 39 8.440 0.967 -11.505 337 HE3 TRP 39 HE3 TRP 39 7.171 1.941 -6.391 338 HZ2 TRP 39 HZ2 TRP 39 9.866 3.250 -10.369 339 HZ3 TRP 39 HZ3 TRP 39 8.725 3.890 -6.271 340 HH2 TRP 39 HH2 TRP 39 10.099 4.507 -8.246 341 H ASP 40 HN ASP 40 7.874 -2.827 -8.807 342 HA ASP 40 HA ASP 40 8.984 -3.180 -6.119 343 HB2 ASP 40 HB2 ASP 40 9.488 -5.493 -6.408 344 HB3 ASP 40 HB3 ASP 40 7.763 -5.206 -6.468 345 H ARG 41 HN ARG 41 10.708 -1.859 -6.298 346 HA ARG 41 HA ARG 41 12.838 -2.558 -8.180 347 HB2 ARG 41 HB2 ARG 41 13.053 -0.166 -8.979 348 HB3 ARG 41 HB3 ARG 41 11.671 -1.051 -9.576 349 HG2 ARG 41 HG2 ARG 41 10.855 1.019 -9.155 350 HG3 ARG 41 HG3 ARG 41 10.287 0.130 -7.759 351 HD2 ARG 41 HD2 ARG 41 10.992 2.094 -6.825 352 HD3 ARG 41 HD3 ARG 41 12.420 1.126 -6.568 353 HE ARG 41 HE ARG 41 12.835 2.341 -9.047 354 HH11 ARG 41 HH11 ARG 41 11.843 3.710 -5.892 355 HH12 ARG 41 HH12 ARG 41 12.607 5.243 -6.231 356 HH21 ARG 41 HH21 ARG 41 13.901 4.398 -9.328 357 HH22 ARG 41 HH22 ARG 41 13.603 5.668 -8.174 358 H LYS 42 HN LYS 42 14.682 -0.805 -7.712 359 HA LYS 42 HA LYS 42 14.588 0.598 -5.277 360 HB2 LYS 42 HB2 LYS 42 16.418 -0.456 -4.034 361 HB3 LYS 42 HB3 LYS 42 15.050 -1.495 -4.206 362 HG2 LYS 42 HG2 LYS 42 16.497 -3.021 -4.717 363 HG3 LYS 42 HG3 LYS 42 16.497 -2.321 -6.344 364 HD2 LYS 42 HD2 LYS 42 18.594 -1.538 -6.168 365 HD3 LYS 42 HD3 LYS 42 18.491 -1.213 -4.412 366 HE2 LYS 42 HE2 LYS 42 18.669 -3.534 -3.889 367 HE3 LYS 42 HE3 LYS 42 18.432 -4.035 -5.559 368 HZ1 LYS 42 HZ1 LYS 42 20.663 -4.168 -4.596 369 HZ2 LYS 42 HZ2 LYS 42 20.840 -2.552 -4.717 370 HZ3 LYS 42 HZ3 LYS 42 20.609 -3.467 -6.082 371 H ARG 43 HN ARG 43 17.006 1.479 -4.924 372 HA ARG 43 HA ARG 43 17.914 2.490 -7.562 373 HB2 ARG 43 HB2 ARG 43 17.815 3.905 -4.854 374 HB3 ARG 43 HB3 ARG 43 18.639 4.515 -6.284 375 HG2 ARG 43 HG2 ARG 43 16.053 3.987 -7.232 376 HG3 ARG 43 HG3 ARG 43 15.787 4.633 -5.617 377 HD2 ARG 43 HD2 ARG 43 17.376 5.882 -7.891 378 HD3 ARG 43 HD3 ARG 43 15.822 6.461 -7.272 379 HE ARG 43 HE ARG 43 18.498 6.852 -6.131 380 HH11 ARG 43 HH11 ARG 43 15.016 7.260 -5.411 381 HH12 ARG 43 HH12 ARG 43 15.331 7.774 -3.793 382 HH21 ARG 43 HH21 ARG 43 18.819 7.515 -4.041 383 HH22 ARG 43 HH22 ARG 43 17.490 8.102 -3.063 384 H LYS 44 HN LYS 44 20.294 3.711 -6.424 385 HA LYS 44 HA LYS 44 22.088 1.428 -6.213 386 HB2 LYS 44 HB2 LYS 44 22.489 4.391 -5.619 387 HB3 LYS 44 HB3 LYS 44 23.754 3.177 -5.647 388 HG2 LYS 44 HG2 LYS 44 23.969 3.308 -7.888 389 HG3 LYS 44 HG3 LYS 44 22.242 3.067 -8.152 390 HD2 LYS 44 HD2 LYS 44 21.867 5.521 -7.635 391 HD3 LYS 44 HD3 LYS 44 23.634 5.698 -7.524 392 HE2 LYS 44 HE2 LYS 44 23.525 4.494 -9.918 393 HE3 LYS 44 HE3 LYS 44 21.892 5.184 -9.937 394 HZ1 LYS 44 HZ1 LYS 44 23.495 6.644 -10.925 395 HZ2 LYS 44 HZ2 LYS 44 24.449 6.573 -9.611 396 HZ3 LYS 44 HZ3 LYS 44 22.985 7.358 -9.486 397 H ASP 45 HN ASP 45 21.313 4.060 -3.835 398 HA ASP 45 HA ASP 45 21.110 2.064 -1.700 399 HB2 ASP 45 HB2 ASP 45 22.125 4.773 -0.980 400 HB3 ASP 45 HB3 ASP 45 22.399 3.210 -0.296 401 H GLU 46 HN GLU 46 18.865 2.248 -2.567 402 HA GLU 46 HA GLU 46 17.401 3.422 -0.556 403 HB2 GLU 46 HB2 GLU 46 17.590 5.280 -2.801 404 HB3 GLU 46 HB3 GLU 46 15.965 4.621 -2.748 405 HG2 GLU 46 HG2 GLU 46 15.765 5.218 -0.362 406 HG3 GLU 46 HG3 GLU 46 17.390 5.925 -0.396 407 H ALA 47 HN ALA 47 15.047 2.659 -0.865 408 HA ALA 47 HA ALA 47 14.553 1.032 -3.252 409 HB1 ALA 47 HB1 ALA 47 13.771 -0.838 -1.920 410 HB2 ALA 47 HB2 ALA 47 15.488 -0.548 -1.588 411 HB3 ALA 47 HB3 ALA 47 14.267 0.000 -0.421 412 H VAL 48 HN VAL 48 12.283 0.877 -3.699 413 HA VAL 48 HA VAL 48 10.465 2.235 -1.887 414 HB VAL 48 HB VAL 48 10.627 3.115 -4.791 415 HG11 VAL 48 HG11 VAL 48 8.381 3.285 -3.698 416 HG12 VAL 48 HG12 VAL 48 9.094 4.358 -2.476 417 HG13 VAL 48 HG13 VAL 48 9.040 4.853 -4.166 418 HG21 VAL 48 HG21 VAL 48 11.586 4.695 -2.368 419 HG22 VAL 48 HG22 VAL 48 12.603 4.108 -3.691 420 HG23 VAL 48 HG23 VAL 48 11.374 5.342 -3.996 421 H LYS 49 HN LYS 49 8.476 1.191 -2.057 422 HA LYS 49 HA LYS 49 7.927 -0.522 -4.373 423 HB2 LYS 49 HB2 LYS 49 8.404 -1.527 -1.550 424 HB3 LYS 49 HB3 LYS 49 7.042 -2.177 -2.426 425 HG2 LYS 49 HG2 LYS 49 8.350 -3.602 -3.507 426 HG3 LYS 49 HG3 LYS 49 9.141 -2.255 -4.321 427 HD2 LYS 49 HD2 LYS 49 10.911 -2.138 -2.814 428 HD3 LYS 49 HD3 LYS 49 10.053 -3.121 -1.580 429 HE2 LYS 49 HE2 LYS 49 10.823 -4.998 -2.369 430 HE3 LYS 49 HE3 LYS 49 10.196 -4.663 -3.995 431 HZ1 LYS 49 HZ1 LYS 49 12.367 -4.778 -4.474 432 HZ2 LYS 49 HZ2 LYS 49 12.899 -4.300 -3.015 433 HZ3 LYS 49 HZ3 LYS 49 12.349 -3.195 -4.137 434 H GLN 50 HN GLN 50 5.775 -0.432 -4.839 435 HA GLN 50 HA GLN 50 4.108 1.068 -2.905 436 HB2 GLN 50 HB2 GLN 50 4.699 1.898 -5.753 437 HB3 GLN 50 HB3 GLN 50 3.300 2.478 -4.824 438 HG2 GLN 50 HG2 GLN 50 4.716 3.290 -3.030 439 HG3 GLN 50 HG3 GLN 50 6.172 2.720 -3.778 440 HE21 GLN 50 HE21 GLN 50 6.128 3.699 -6.459 441 HE22 GLN 50 HE22 GLN 50 5.889 5.412 -6.367 442 H TYR 51 HN TYR 51 1.917 0.904 -3.187 443 HA TYR 51 HA TYR 51 1.027 -1.720 -4.265 444 HB2 TYR 51 HB2 TYR 51 0.561 -0.412 -1.557 445 HB3 TYR 51 HB3 TYR 51 -0.402 -1.738 -2.155 446 HD1 TYR 51 HD1 TYR 51 3.260 -0.931 -1.608 447 HD2 TYR 51 HD2 TYR 51 0.143 -3.893 -1.384 448 HE1 TYR 51 HE1 TYR 51 4.863 -2.512 -0.677 449 HE2 TYR 51 HE2 TYR 51 1.779 -5.517 -0.435 450 HH TYR 51 HH TYR 51 4.917 -5.272 -0.848 451 H HIS 52 HN HIS 52 -1.475 -1.762 -4.324 452 HA HIS 52 HA HIS 52 -2.647 0.812 -5.203 453 HB2 HIS 52 HB2 HIS 52 -1.921 -0.344 -7.221 454 HB3 HIS 52 HB3 HIS 52 -2.461 -1.904 -6.571 455 HD1 HIS 52 HD1 HIS 52 -4.772 1.262 -7.040 456 HD2 HIS 52 HD2 HIS 52 -4.106 -2.705 -8.333 457 HE1 HIS 52 HE1 HIS 52 -6.720 0.644 -8.478 458 H LEU 53 HN LEU 53 -4.431 0.973 -3.797 459 HA LEU 53 HA LEU 53 -5.813 -1.506 -3.058 460 HB2 LEU 53 HB2 LEU 53 -5.293 0.611 -0.928 461 HB3 LEU 53 HB3 LEU 53 -6.136 -0.918 -0.779 462 HG LEU 53 HG LEU 53 -3.701 -1.893 -1.503 463 HD11 LEU 53 HD11 LEU 53 -1.910 -0.690 -0.445 464 HD12 LEU 53 HD12 LEU 53 -3.020 0.449 0.287 465 HD13 LEU 53 HD13 LEU 53 -2.734 0.501 -1.476 466 HD21 LEU 53 HD21 LEU 53 -4.782 -2.659 0.508 467 HD22 LEU 53 HD22 LEU 53 -4.539 -1.109 1.311 468 HD23 LEU 53 HD23 LEU 53 -3.149 -2.160 0.919 469 H THR 54 HN THR 54 -8.125 -0.757 -2.189 470 HA THR 54 HA THR 54 -8.851 1.842 -3.360 471 HB THR 54 HB THR 54 -9.309 -0.229 -4.928 472 HG1 THR 54 HG1 THR 54 -10.368 1.325 -5.767 473 HG21 THR 54 HG21 THR 54 -11.783 -0.270 -3.150 474 HG22 THR 54 HG22 THR 54 -10.539 -1.538 -3.125 475 HG23 THR 54 HG23 THR 54 -11.496 -1.238 -4.600 476 H LEU 55 HN LEU 55 -10.376 2.827 -2.252 477 HA LEU 55 HA LEU 55 -11.271 1.632 0.333 478 HB2 LEU 55 HB2 LEU 55 -10.919 4.481 -0.624 479 HB3 LEU 55 HB3 LEU 55 -12.060 4.127 0.653 480 HG LEU 55 HG LEU 55 -10.050 4.880 1.611 481 HD11 LEU 55 HD11 LEU 55 -9.579 3.387 3.246 482 HD12 LEU 55 HD12 LEU 55 -10.154 2.022 2.273 483 HD13 LEU 55 HD13 LEU 55 -11.307 3.289 2.822 484 HD21 LEU 55 HD21 LEU 55 -7.904 3.895 1.412 485 HD22 LEU 55 HD22 LEU 55 -8.553 4.165 -0.215 486 HD23 LEU 55 HD23 LEU 55 -8.548 2.523 0.463 487 H ARG 56 HN ARG 56 -13.496 1.975 0.898 488 HA ARG 56 HA ARG 56 -15.358 2.717 -1.294 489 HB2 ARG 56 HB2 ARG 56 -15.398 0.279 -0.959 490 HB3 ARG 56 HB3 ARG 56 -15.784 0.519 0.763 491 HG2 ARG 56 HG2 ARG 56 -17.955 1.475 0.158 492 HG3 ARG 56 HG3 ARG 56 -17.544 1.377 -1.567 493 HD2 ARG 56 HD2 ARG 56 -17.215 -1.082 -1.328 494 HD3 ARG 56 HD3 ARG 56 -17.752 -0.970 0.349 495 HE ARG 56 HE ARG 56 -19.899 -0.079 -0.509 496 HH11 ARG 56 HH11 ARG 56 -17.937 -1.886 -2.935 497 HH12 ARG 56 HH12 ARG 56 -19.313 -2.516 -3.729 498 HH21 ARG 56 HH21 ARG 56 -21.689 -1.037 -1.516 499 HH22 ARG 56 HH22 ARG 56 -21.484 -1.939 -2.978 500 H GLU 57 HN GLU 57 -16.887 4.167 -0.685 501 HA GLU 57 HA GLU 57 -17.368 4.737 2.180 502 HB2 GLU 57 HB2 GLU 57 -15.906 6.538 1.431 503 HB3 GLU 57 HB3 GLU 57 -16.843 6.784 -0.038 504 HG2 GLU 57 HG2 GLU 57 -18.508 7.015 2.406 505 HG3 GLU 57 HG3 GLU 57 -17.136 8.113 2.425 506 H GLY 58 HN GLY 58 -19.368 3.975 2.332 507 HA2 GLY 58 HA1 GLY 58 -21.464 3.229 1.838 508 HA3 GLY 58 HA2 GLY 58 -21.648 4.724 0.909 509 H SER 59 HN SER 59 -21.585 4.664 -1.290 510 HA SER 59 HA SER 59 -21.488 2.013 -2.629 511 HB2 SER 59 HB2 SER 59 -23.066 3.295 -4.223 512 HB3 SER 59 HB3 SER 59 -23.686 2.745 -2.654 513 HG SER 59 HG SER 59 -24.317 4.849 -3.022 514 H LYS 60 HN LYS 60 -19.474 4.680 -2.370 515 HA LYS 60 HA LYS 60 -18.680 4.515 -5.256 516 HB2 LYS 60 HB2 LYS 60 -18.877 6.776 -4.426 517 HB3 LYS 60 HB3 LYS 60 -17.856 6.437 -3.028 518 HG2 LYS 60 HG2 LYS 60 -15.997 6.388 -4.354 519 HG3 LYS 60 HG3 LYS 60 -16.856 6.059 -5.864 520 HD2 LYS 60 HD2 LYS 60 -16.002 8.310 -5.927 521 HD3 LYS 60 HD3 LYS 60 -17.759 8.354 -5.827 522 HE2 LYS 60 HE2 LYS 60 -17.532 8.731 -3.317 523 HE3 LYS 60 HE3 LYS 60 -15.783 8.845 -3.556 524 HZ1 LYS 60 HZ1 LYS 60 -16.735 11.022 -3.569 525 HZ2 LYS 60 HZ2 LYS 60 -17.799 10.655 -4.757 526 HZ3 LYS 60 HZ3 LYS 60 -16.185 10.685 -5.075 527 H GLU 61 HN GLU 61 -16.615 3.798 -5.718 528 HA GLU 61 HA GLU 61 -14.835 2.990 -3.536 529 HB2 GLU 61 HB2 GLU 61 -15.632 1.238 -5.854 530 HB3 GLU 61 HB3 GLU 61 -13.933 1.235 -5.340 531 HG2 GLU 61 HG2 GLU 61 -14.556 0.664 -3.044 532 HG3 GLU 61 HG3 GLU 61 -16.268 0.706 -3.481 533 H PHE 62 HN PHE 62 -12.701 3.485 -3.937 534 HA PHE 62 HA PHE 62 -11.946 5.071 -6.278 535 HB2 PHE 62 HB2 PHE 62 -11.471 7.058 -4.886 536 HB3 PHE 62 HB3 PHE 62 -13.170 6.725 -5.082 537 HD1 PHE 62 HD2 PHE 62 -14.362 5.422 -3.110 538 HD2 PHE 62 HD1 PHE 62 -10.559 7.446 -2.649 539 HE1 PHE 62 HE2 PHE 62 -14.680 5.506 -0.666 540 HE2 PHE 62 HE1 PHE 62 -11.043 7.649 -0.228 541 HZ PHE 62 HZ PHE 62 -12.982 6.615 0.778 542 H GLY 63 HN GLY 63 -9.839 4.799 -6.626 543 HA2 GLY 63 HA1 GLY 63 -8.310 2.973 -5.054 544 HA3 GLY 63 HA2 GLY 63 -7.792 3.846 -6.478 545 H VAL 64 HN VAL 64 -6.657 3.356 -3.610 546 HA VAL 64 HA VAL 64 -5.355 6.066 -3.654 547 HB VAL 64 HB VAL 64 -4.703 5.676 -1.295 548 HG11 VAL 64 HG11 VAL 64 -6.744 6.367 -0.411 549 HG12 VAL 64 HG12 VAL 64 -6.728 6.961 -2.072 550 HG13 VAL 64 HG13 VAL 64 -7.709 5.562 -1.689 551 HG21 VAL 64 HG21 VAL 64 -4.875 3.221 -1.158 552 HG22 VAL 64 HG22 VAL 64 -5.878 4.038 0.060 553 HG23 VAL 64 HG23 VAL 64 -6.640 3.337 -1.377 554 H PHE 65 HN PHE 65 -3.129 6.192 -3.072 555 HA PHE 65 HA PHE 65 -1.544 3.786 -3.827 556 HB2 PHE 65 HB2 PHE 65 -1.189 6.637 -4.801 557 HB3 PHE 65 HB3 PHE 65 -0.087 5.321 -5.111 558 HD1 PHE 65 HD1 PHE 65 -1.450 3.074 -6.021 559 HD2 PHE 65 HD2 PHE 65 -2.623 7.199 -6.547 560 HE1 PHE 65 HE1 PHE 65 -2.688 2.470 -8.071 561 HE2 PHE 65 HE2 PHE 65 -3.849 6.580 -8.592 562 HZ PHE 65 HZ PHE 65 -3.850 4.253 -9.384 563 H VAL 66 HN VAL 66 -0.851 3.240 -1.900 564 HA VAL 66 HA VAL 66 0.212 4.965 0.155 565 HB VAL 66 HB VAL 66 0.655 2.030 -0.539 566 HG11 VAL 66 HG11 VAL 66 1.639 1.627 1.475 567 HG12 VAL 66 HG12 VAL 66 2.207 3.288 1.281 568 HG13 VAL 66 HG13 VAL 66 0.819 2.953 2.305 569 HG21 VAL 66 HG21 VAL 66 -1.740 2.468 -0.162 570 HG22 VAL 66 HG22 VAL 66 -1.052 1.521 1.159 571 HG23 VAL 66 HG23 VAL 66 -1.368 3.250 1.383 572 H THR 67 HN THR 67 2.354 5.730 0.386 573 HA THR 67 HA THR 67 4.300 5.099 -1.778 574 HB THR 67 HB THR 67 3.943 7.635 -0.148 575 HG1 THR 67 HG1 THR 67 2.351 7.341 -1.777 576 HG21 THR 67 HG21 THR 67 6.274 7.428 -0.676 577 HG22 THR 67 HG22 THR 67 5.588 8.549 -1.861 578 HG23 THR 67 HG23 THR 67 5.930 6.890 -2.328 579 H ILE 68 HN ILE 68 6.010 3.891 -0.991 580 HA ILE 68 HA ILE 68 6.805 4.178 1.858 581 HB ILE 68 HB ILE 68 6.398 1.569 0.351 582 HG12 ILE 68 HG12 ILE 68 4.974 2.623 2.858 583 HG13 ILE 68 HG13 ILE 68 4.278 2.507 1.252 584 HG21 ILE 68 HG21 ILE 68 7.240 1.963 3.252 585 HG22 ILE 68 HG22 ILE 68 7.230 0.431 2.349 586 HG23 ILE 68 HG23 ILE 68 8.424 1.649 1.956 587 HD11 ILE 68 HD11 ILE 68 3.481 0.632 2.538 588 HD12 ILE 68 HD12 ILE 68 4.618 -0.015 1.333 589 HD13 ILE 68 HD13 ILE 68 5.101 0.168 3.030 590 H SER 69 HN SER 69 8.748 5.148 1.599 591 HA SER 69 HA SER 69 10.730 3.983 -0.282 592 HB2 SER 69 HB2 SER 69 10.803 6.599 1.275 593 HB3 SER 69 HB3 SER 69 12.033 5.987 0.161 594 HG SER 69 HG SER 69 9.848 7.420 -0.412 595 H PHE 70 HN PHE 70 12.384 2.831 0.630 596 HA PHE 70 HA PHE 70 12.978 2.959 3.485 597 HB2 PHE 70 HB2 PHE 70 12.760 0.597 3.864 598 HB3 PHE 70 HB3 PHE 70 11.232 1.233 3.392 599 HD1 PHE 70 HD2 PHE 70 10.617 0.873 0.776 600 HD2 PHE 70 HD1 PHE 70 13.865 -1.138 2.765 601 HE1 PHE 70 HE2 PHE 70 10.720 -0.782 -1.036 602 HE2 PHE 70 HE1 PHE 70 13.852 -2.909 1.032 603 HZ PHE 70 HZ PHE 70 12.280 -2.763 -0.854 604 H ASP 71 HN ASP 71 14.807 1.043 3.659 605 HA ASP 71 HA ASP 71 16.804 1.970 1.656 606 HB2 ASP 71 HB2 ASP 71 16.670 2.636 4.199 607 HB3 ASP 71 HB3 ASP 71 17.402 1.055 4.446 608 HA PRO 72 HA PRO 72 17.309 -2.294 0.725 609 HB2 PRO 72 HB2 PRO 72 19.470 -2.323 -0.884 610 HB3 PRO 72 HB3 PRO 72 17.973 -1.468 -1.339 611 HG2 PRO 72 HG2 PRO 72 20.458 -0.259 -0.056 612 HG3 PRO 72 HG3 PRO 72 19.594 0.295 -1.529 613 HD2 PRO 72 HD2 PRO 72 19.086 1.388 0.909 614 HD3 PRO 72 HD3 PRO 72 17.767 1.096 -0.259 615 H TYR 73 HN TYR 73 19.808 -0.595 2.528 616 HA TYR 73 HA TYR 73 21.749 -2.534 2.937 617 HB2 TYR 73 HB2 TYR 73 20.656 -0.325 4.679 618 HB3 TYR 73 HB3 TYR 73 21.812 -1.453 5.335 619 HD1 TYR 73 HD2 TYR 73 21.525 0.676 2.194 620 HD2 TYR 73 HD1 TYR 73 23.981 -0.688 5.475 621 HE1 TYR 73 HE2 TYR 73 23.270 2.259 1.536 622 HE2 TYR 73 HE1 TYR 73 25.742 0.899 4.813 623 HH TYR 73 HH TYR 73 25.223 3.462 2.467 624 H SER 74 HN SER 74 18.913 -1.891 5.067 625 HA SER 74 HA SER 74 18.513 -4.733 5.660 626 HB2 SER 74 HB2 SER 74 20.524 -4.043 7.010 627 HB3 SER 74 HB3 SER 74 19.522 -2.785 7.775 628 HG SER 74 HG SER 74 18.194 -4.370 8.546 629 H GLN 75 HN GLN 75 16.943 -2.317 4.607 630 HA GLN 75 HA GLN 75 14.875 -1.434 4.794 631 HB2 GLN 75 HB2 GLN 75 14.379 -3.928 6.489 632 HB3 GLN 75 HB3 GLN 75 13.158 -2.747 6.115 633 HG2 GLN 75 HG2 GLN 75 12.696 -4.286 4.524 634 HG3 GLN 75 HG3 GLN 75 13.741 -3.198 3.618 635 HE21 GLN 75 HE21 GLN 75 16.024 -3.921 3.174 636 HE22 GLN 75 HE22 GLN 75 16.242 -5.658 3.127 637 H LYS 76 HN LYS 76 16.396 0.238 5.967 638 HA LYS 76 HA LYS 76 14.936 1.025 8.446 639 HB2 LYS 76 HB2 LYS 76 16.908 2.439 6.573 640 HB3 LYS 76 HB3 LYS 76 15.866 3.284 7.716 641 HG2 LYS 76 HG2 LYS 76 16.986 1.409 9.388 642 HG3 LYS 76 HG3 LYS 76 18.300 1.648 8.232 643 HD2 LYS 76 HD2 LYS 76 18.170 4.097 8.584 644 HD3 LYS 76 HD3 LYS 76 16.828 3.859 9.728 645 HE2 LYS 76 HE2 LYS 76 18.279 2.669 11.264 646 HE3 LYS 76 HE3 LYS 76 19.607 2.630 10.091 647 HZ1 LYS 76 HZ1 LYS 76 19.858 4.971 10.298 648 HZ2 LYS 76 HZ2 LYS 76 19.815 4.385 11.830 649 HZ3 LYS 76 HZ3 LYS 76 18.508 5.141 11.214 650 H VAL 77 HN VAL 77 13.035 2.069 8.227 651 HA VAL 77 HA VAL 77 11.740 2.622 5.645 652 HB VAL 77 HB VAL 77 11.290 3.608 8.452 653 HG11 VAL 77 HG11 VAL 77 10.267 5.169 6.951 654 HG12 VAL 77 HG12 VAL 77 9.491 3.879 6.043 655 HG13 VAL 77 HG13 VAL 77 9.000 4.212 7.708 656 HG21 VAL 77 HG21 VAL 77 11.025 1.265 8.538 657 HG22 VAL 77 HG22 VAL 77 9.414 1.989 8.603 658 HG23 VAL 77 HG23 VAL 77 9.993 1.265 7.091 659 H ASN 78 HN ASN 78 12.125 4.435 4.466 660 HA ASN 78 HA ASN 78 14.006 6.477 5.581 661 HB2 ASN 78 HB2 ASN 78 13.290 5.713 2.719 662 HB3 ASN 78 HB3 ASN 78 13.925 7.309 3.120 663 HD21 ASN 78 HD21 ASN 78 15.123 4.405 1.973 664 HD22 ASN 78 HD22 ASN 78 16.649 4.462 2.804 665 H LYS 79 HN LYS 79 10.908 6.215 3.719 666 HA LYS 79 HA LYS 79 9.705 8.324 5.339 667 HB2 LYS 79 HB2 LYS 79 10.828 8.868 2.650 668 HB3 LYS 79 HB3 LYS 79 9.127 9.253 2.747 669 HG2 LYS 79 HG2 LYS 79 11.138 10.344 4.727 670 HG3 LYS 79 HG3 LYS 79 10.755 11.125 3.191 671 HD2 LYS 79 HD2 LYS 79 8.311 11.185 3.933 672 HD3 LYS 79 HD3 LYS 79 8.862 10.630 5.512 673 HE2 LYS 79 HE2 LYS 79 8.785 12.944 5.806 674 HE3 LYS 79 HE3 LYS 79 10.486 12.644 5.468 675 HZ1 LYS 79 HZ1 LYS 79 8.503 14.022 3.872 676 HZ2 LYS 79 HZ2 LYS 79 9.667 13.206 3.023 677 HZ3 LYS 79 HZ3 LYS 79 10.076 14.367 4.110 678 H ILE 80 HN ILE 80 7.404 8.486 4.850 679 HA ILE 80 HA ILE 80 6.239 6.459 3.087 680 HB ILE 80 HB ILE 80 5.655 6.731 6.073 681 HG12 ILE 80 HG12 ILE 80 6.648 4.383 4.371 682 HG13 ILE 80 HG13 ILE 80 7.577 5.281 5.579 683 HG21 ILE 80 HG21 ILE 80 4.180 5.025 4.037 684 HG22 ILE 80 HG22 ILE 80 3.833 5.122 5.776 685 HG23 ILE 80 HG23 ILE 80 3.543 6.513 4.772 686 HD11 ILE 80 HD11 ILE 80 6.958 3.266 6.629 687 HD12 ILE 80 HD12 ILE 80 5.907 4.535 7.311 688 HD13 ILE 80 HD13 ILE 80 5.277 3.394 6.100 689 H ALA 81 HN ALA 81 4.232 7.275 2.252 690 HA ALA 81 HA ALA 81 2.989 9.636 3.405 691 HB1 ALA 81 HB1 ALA 81 3.900 9.753 0.500 692 HB2 ALA 81 HB2 ALA 81 2.974 10.979 1.378 693 HB3 ALA 81 HB3 ALA 81 4.649 10.666 1.830 694 H ILE 82 HN ILE 82 0.905 10.109 1.950 695 HA ILE 82 HA ILE 82 -0.167 7.627 0.748 696 HB ILE 82 HB ILE 82 -1.290 9.322 2.993 697 HG12 ILE 82 HG12 ILE 82 0.031 7.206 3.404 698 HG13 ILE 82 HG13 ILE 82 -1.540 7.290 4.158 699 HG21 ILE 82 HG21 ILE 82 -2.979 7.598 1.139 700 HG22 ILE 82 HG22 ILE 82 -3.470 8.076 2.760 701 HG23 ILE 82 HG23 ILE 82 -3.178 9.317 1.532 702 HD11 ILE 82 HD11 ILE 82 -0.775 5.088 2.938 703 HD12 ILE 82 HD12 ILE 82 -2.452 5.628 2.783 704 HD13 ILE 82 HD13 ILE 82 -1.292 5.911 1.474 705 H LEU 83 HN LEU 83 -1.757 8.004 -0.871 706 HA LEU 83 HA LEU 83 -2.036 10.712 -1.981 707 HB2 LEU 83 HB2 LEU 83 0.013 9.337 -2.808 708 HB3 LEU 83 HB3 LEU 83 -1.145 8.229 -3.466 709 HG LEU 83 HG LEU 83 -0.182 9.584 -5.137 710 HD11 LEU 83 HD11 LEU 83 -2.024 10.167 -6.407 711 HD12 LEU 83 HD12 LEU 83 -2.969 10.728 -5.032 712 HD13 LEU 83 HD13 LEU 83 -2.693 8.990 -5.284 713 HD21 LEU 83 HD21 LEU 83 -0.367 11.967 -5.282 714 HD22 LEU 83 HD22 LEU 83 0.370 11.546 -3.734 715 HD23 LEU 83 HD23 LEU 83 -1.335 12.047 -3.775 716 H GLU 84 HN GLU 84 -3.949 10.813 -3.162 717 HA GLU 84 HA GLU 84 -5.853 8.527 -3.104 718 HB2 GLU 84 HB2 GLU 84 -6.032 10.962 -1.605 719 HB3 GLU 84 HB3 GLU 84 -7.154 11.140 -2.945 720 HG2 GLU 84 HG2 GLU 84 -8.251 8.963 -2.281 721 HG3 GLU 84 HG3 GLU 84 -7.150 8.845 -0.954 722 H GLU 85 HN GLU 85 -6.796 8.178 -5.018 723 HA GLU 85 HA GLU 85 -6.115 9.785 -7.356 724 HB2 GLU 85 HB2 GLU 85 -6.300 7.290 -7.389 725 HB3 GLU 85 HB3 GLU 85 -7.998 7.414 -6.917 726 HG2 GLU 85 HG2 GLU 85 -7.828 6.953 -9.271 727 HG3 GLU 85 HG3 GLU 85 -8.562 8.514 -9.026 728 H TYR 86 HN TYR 86 -7.749 10.916 -8.637 729 HA TYR 86 HA TYR 86 -10.423 11.251 -7.754 730 HB2 TYR 86 HB2 TYR 86 -10.350 13.677 -7.254 731 HB3 TYR 86 HB3 TYR 86 -9.560 12.690 -6.053 732 HD1 TYR 86 HD2 TYR 86 -8.901 15.026 -8.916 733 HD2 TYR 86 HD1 TYR 86 -7.302 13.038 -5.438 734 HE1 TYR 86 HE2 TYR 86 -6.924 16.459 -9.027 735 HE2 TYR 86 HE1 TYR 86 -5.326 14.509 -5.495 736 HH TYR 86 HH TYR 86 -4.389 16.371 -6.466 737 H GLN 87 HN GLN 87 -11.544 12.867 -9.152 738 HA GLN 87 HA GLN 87 -10.393 12.997 -11.861 739 HB2 GLN 87 HB2 GLN 87 -12.957 11.704 -10.932 740 HB3 GLN 87 HB3 GLN 87 -12.785 12.335 -12.559 741 HG2 GLN 87 HG2 GLN 87 -11.440 10.665 -13.247 742 HG3 GLN 87 HG3 GLN 87 -10.493 10.695 -11.766 743 HE21 GLN 87 HE21 GLN 87 -10.635 8.855 -10.637 744 HE22 GLN 87 HE22 GLN 87 -12.037 7.825 -10.528 Start of MODEL 14 1 H1 GLY 1 HN GLY 1 -19.534 -7.965 -3.501 2 HA2 GLY 1 HA1 GLY 1 -19.291 -8.789 -5.828 3 HA3 GLY 1 HA2 GLY 1 -17.903 -7.677 -5.960 4 H GLU 2 HN GLU 2 -15.957 -8.153 -4.673 5 HA GLU 2 HA GLU 2 -15.992 -10.865 -3.448 6 HB2 GLU 2 HB2 GLU 2 -13.802 -9.601 -5.128 7 HB3 GLU 2 HB3 GLU 2 -13.732 -11.168 -4.302 8 HG2 GLU 2 HG2 GLU 2 -15.927 -11.711 -5.641 9 HG3 GLU 2 HG3 GLU 2 -15.465 -10.343 -6.663 10 H GLU 3 HN GLU 3 -14.253 -11.169 -1.783 11 HA GLU 3 HA GLU 3 -14.065 -8.868 -0.034 12 HB2 GLU 3 HB2 GLU 3 -13.193 -11.735 0.049 13 HB3 GLU 3 HB3 GLU 3 -12.254 -10.616 1.027 14 HG2 GLU 3 HG2 GLU 3 -15.277 -10.934 1.195 15 HG3 GLU 3 HG3 GLU 3 -14.111 -11.672 2.287 16 H THR 4 HN THR 4 -11.538 -10.668 -1.975 17 HA THR 4 HA THR 4 -10.000 -8.340 -2.570 18 HB THR 4 HB THR 4 -8.140 -9.843 -1.038 19 HG1 THR 4 HG1 THR 4 -10.290 -9.018 0.574 20 HG21 THR 4 HG21 THR 4 -7.781 -7.834 0.253 21 HG22 THR 4 HG22 THR 4 -9.344 -7.165 -0.249 22 HG23 THR 4 HG23 THR 4 -8.040 -7.371 -1.432 23 HA PRO 5 HA PRO 5 -8.593 -11.499 -5.407 24 HB2 PRO 5 HB2 PRO 5 -6.078 -10.765 -6.205 25 HB3 PRO 5 HB3 PRO 5 -7.509 -9.756 -6.529 26 HG2 PRO 5 HG2 PRO 5 -5.516 -9.484 -4.292 27 HG3 PRO 5 HG3 PRO 5 -6.099 -8.236 -5.417 28 HD2 PRO 5 HD2 PRO 5 -7.169 -8.609 -2.911 29 HD3 PRO 5 HD3 PRO 5 -8.202 -8.091 -4.285 30 H LEU 6 HN LEU 6 -7.233 -11.459 -2.362 31 HA LEU 6 HA LEU 6 -5.575 -13.871 -2.752 32 HB2 LEU 6 HB2 LEU 6 -4.016 -12.818 -0.964 33 HB3 LEU 6 HB3 LEU 6 -3.866 -12.451 -2.654 34 HG LEU 6 HG LEU 6 -4.988 -10.263 -2.338 35 HD11 LEU 6 HD11 LEU 6 -5.464 -9.364 -0.131 36 HD12 LEU 6 HD12 LEU 6 -4.958 -10.898 0.617 37 HD13 LEU 6 HD13 LEU 6 -6.414 -10.840 -0.364 38 HD21 LEU 6 HD21 LEU 6 -2.700 -10.651 -0.381 39 HD22 LEU 6 HD22 LEU 6 -3.191 -9.137 -1.165 40 HD23 LEU 6 HD23 LEU 6 -2.527 -10.447 -2.128 41 H VAL 7 HN VAL 7 -7.969 -14.298 -2.170 42 HA VAL 7 HA VAL 7 -8.865 -14.083 0.505 43 HB VAL 7 HB VAL 7 -9.557 -16.087 -1.682 44 HG11 VAL 7 HG11 VAL 7 -11.138 -15.277 0.793 45 HG12 VAL 7 HG12 VAL 7 -11.795 -16.193 -0.578 46 HG13 VAL 7 HG13 VAL 7 -10.515 -16.904 0.374 47 HG21 VAL 7 HG21 VAL 7 -10.661 -13.317 -1.025 48 HG22 VAL 7 HG22 VAL 7 -9.913 -13.868 -2.548 49 HG23 VAL 7 HG23 VAL 7 -11.487 -14.469 -2.090 50 H THR 8 HN THR 8 -6.192 -15.926 -0.626 51 HA THR 8 HA THR 8 -5.890 -16.987 2.014 52 HB THR 8 HB THR 8 -6.062 -18.882 -0.371 53 HG1 THR 8 HG1 THR 8 -7.789 -18.145 1.439 54 HG21 THR 8 HG21 THR 8 -4.077 -19.491 0.885 55 HG22 THR 8 HG22 THR 8 -5.364 -20.651 1.285 56 HG23 THR 8 HG23 THR 8 -4.939 -19.339 2.423 57 H ALA 9 HN ALA 9 -3.592 -17.460 2.375 58 HA ALA 9 HA ALA 9 -1.698 -17.527 0.304 59 HB1 ALA 9 HB1 ALA 9 -0.486 -15.439 0.968 60 HB2 ALA 9 HB2 ALA 9 -2.082 -15.093 0.275 61 HB3 ALA 9 HB3 ALA 9 -1.854 -15.033 2.038 62 H ARG 10 HN ARG 10 0.588 -17.253 1.627 63 HA ARG 10 HA ARG 10 0.393 -17.641 4.487 64 HB2 ARG 10 HB2 ARG 10 0.758 -19.973 2.811 65 HB3 ARG 10 HB3 ARG 10 2.296 -19.645 3.567 66 HG2 ARG 10 HG2 ARG 10 1.311 -19.706 5.781 67 HG3 ARG 10 HG3 ARG 10 -0.332 -19.795 5.120 68 HD2 ARG 10 HD2 ARG 10 1.759 -21.875 4.451 69 HD3 ARG 10 HD3 ARG 10 0.824 -21.987 5.938 70 HE ARG 10 HE ARG 10 -1.208 -21.794 4.391 71 HH11 ARG 10 HH11 ARG 10 1.752 -23.551 3.429 72 HH12 ARG 10 HH12 ARG 10 0.936 -24.618 2.354 73 HH21 ARG 10 HH21 ARG 10 -2.323 -23.447 3.206 74 HH22 ARG 10 HH22 ARG 10 -1.418 -24.506 2.174 75 H HIS 11 HN HIS 11 2.395 -16.936 5.443 76 HA HIS 11 HA HIS 11 3.992 -15.393 5.673 77 HB2 HIS 11 HB2 HIS 11 5.373 -17.313 5.240 78 HB3 HIS 11 HB3 HIS 11 5.315 -17.056 3.504 79 HD1 HIS 11 HD1 HIS 11 6.280 -14.435 2.886 80 HD2 HIS 11 HD2 HIS 11 7.405 -16.217 6.512 81 HE1 HIS 11 HE1 HIS 11 8.424 -13.217 3.653 82 H MET 12 HN MET 12 2.995 -13.493 5.200 83 HA MET 12 HA MET 12 2.860 -12.480 2.451 84 HB2 MET 12 HB2 MET 12 1.568 -11.923 4.959 85 HB3 MET 12 HB3 MET 12 2.372 -10.462 4.492 86 HG2 MET 12 HG2 MET 12 1.138 -10.349 2.413 87 HG3 MET 12 HG3 MET 12 0.690 -12.021 2.523 88 HE1 MET 12 HE1 MET 12 -0.497 -8.756 2.469 89 HE2 MET 12 HE2 MET 12 -2.109 -8.833 3.205 90 HE3 MET 12 HE3 MET 12 -0.742 -8.319 4.189 91 H SER 13 HN SER 13 3.735 -10.009 2.333 92 HA SER 13 HA SER 13 6.544 -10.381 2.089 93 HB2 SER 13 HB2 SER 13 4.771 -8.977 0.706 94 HB3 SER 13 HB3 SER 13 5.249 -7.667 1.801 95 HG SER 13 HG SER 13 6.739 -9.219 -0.017 96 H LYS 14 HN LYS 14 7.508 -7.792 2.549 97 HA LYS 14 HA LYS 14 7.862 -7.704 5.505 98 HB2 LYS 14 HB2 LYS 14 9.867 -7.760 4.011 99 HB3 LYS 14 HB3 LYS 14 9.295 -6.309 3.205 100 HG2 LYS 14 HG2 LYS 14 10.938 -5.580 4.558 101 HG3 LYS 14 HG3 LYS 14 9.553 -5.067 5.437 102 HD2 LYS 14 HD2 LYS 14 10.769 -7.767 6.127 103 HD3 LYS 14 HD3 LYS 14 11.590 -6.301 6.669 104 HE2 LYS 14 HE2 LYS 14 9.782 -5.564 7.967 105 HE3 LYS 14 HE3 LYS 14 8.617 -6.612 7.174 106 HZ1 LYS 14 HZ1 LYS 14 9.758 -8.535 8.246 107 HZ2 LYS 14 HZ2 LYS 14 9.100 -7.463 9.295 108 HZ3 LYS 14 HZ3 LYS 14 10.727 -7.495 9.066 109 H TRP 15 HN TRP 15 6.690 -5.801 2.805 110 HA TRP 15 HA TRP 15 6.181 -3.467 4.537 111 HB2 TRP 15 HB2 TRP 15 6.663 -3.638 1.561 112 HB3 TRP 15 HB3 TRP 15 6.441 -2.149 2.487 113 HD1 TRP 15 HD1 TRP 15 9.070 -4.351 1.239 114 HE1 TRP 15 HE1 TRP 15 11.335 -3.653 2.130 115 HE3 TRP 15 HE3 TRP 15 7.489 -1.372 5.073 116 HZ2 TRP 15 HZ2 TRP 15 12.336 -2.125 4.477 117 HZ3 TRP 15 HZ3 TRP 15 9.082 -0.529 6.755 118 HH2 TRP 15 HH2 TRP 15 11.532 -0.913 6.458 119 H GLU 16 HN GLU 16 4.304 -5.775 3.735 120 HA GLU 16 HA GLU 16 2.234 -4.553 2.091 121 HB2 GLU 16 HB2 GLU 16 1.495 -6.751 1.774 122 HB3 GLU 16 HB3 GLU 16 3.234 -6.863 1.791 123 HG2 GLU 16 HG2 GLU 16 1.262 -7.782 3.853 124 HG3 GLU 16 HG3 GLU 16 2.404 -8.740 2.915 125 H GLU 17 HN GLU 17 2.540 -5.749 5.492 126 HA GLU 17 HA GLU 17 -0.204 -5.278 6.170 127 HB2 GLU 17 HB2 GLU 17 2.262 -6.335 7.344 128 HB3 GLU 17 HB3 GLU 17 1.548 -5.189 8.450 129 HG2 GLU 17 HG2 GLU 17 -0.302 -7.213 7.170 130 HG3 GLU 17 HG3 GLU 17 0.907 -7.788 8.303 131 H ILE 18 HN ILE 18 2.876 -3.527 6.453 132 HA ILE 18 HA ILE 18 2.032 -1.175 7.782 133 HB ILE 18 HB ILE 18 4.121 -1.576 5.613 134 HG12 ILE 18 HG12 ILE 18 4.535 -1.263 8.619 135 HG13 ILE 18 HG13 ILE 18 4.279 -2.842 7.903 136 HG21 ILE 18 HG21 ILE 18 3.782 0.786 7.529 137 HG22 ILE 18 HG22 ILE 18 5.147 0.541 6.421 138 HG23 ILE 18 HG23 ILE 18 3.540 0.836 5.773 139 HD11 ILE 18 HD11 ILE 18 6.256 -2.611 6.499 140 HD12 ILE 18 HD12 ILE 18 6.583 -0.998 7.198 141 HD13 ILE 18 HD13 ILE 18 6.666 -2.453 8.195 142 H ALA 19 HN ALA 19 1.845 -1.960 4.274 143 HA ALA 19 HA ALA 19 0.620 0.530 3.570 144 HB1 ALA 19 HB1 ALA 19 0.426 -2.172 2.160 145 HB2 ALA 19 HB2 ALA 19 0.068 -0.585 1.451 146 HB3 ALA 19 HB3 ALA 19 1.733 -0.982 1.930 147 H VAL 20 HN VAL 20 -0.749 -2.442 4.956 148 HA VAL 20 HA VAL 20 -3.464 -1.863 4.010 149 HB VAL 20 HB VAL 20 -2.207 -3.985 5.799 150 HG11 VAL 20 HG11 VAL 20 -4.359 -3.665 6.846 151 HG12 VAL 20 HG12 VAL 20 -5.191 -3.651 5.265 152 HG13 VAL 20 HG13 VAL 20 -4.422 -5.137 5.881 153 HG21 VAL 20 HG21 VAL 20 -3.845 -4.318 3.265 154 HG22 VAL 20 HG22 VAL 20 -2.097 -4.066 3.240 155 HG23 VAL 20 HG23 VAL 20 -2.755 -5.491 4.056 156 H LYS 21 HN LYS 21 -1.610 -1.684 7.111 157 HA LYS 21 HA LYS 21 -3.848 -0.747 8.577 158 HB2 LYS 21 HB2 LYS 21 -2.263 -0.114 10.329 159 HB3 LYS 21 HB3 LYS 21 -2.149 -1.792 9.763 160 HG2 LYS 21 HG2 LYS 21 -0.316 -0.960 8.202 161 HG3 LYS 21 HG3 LYS 21 -0.316 0.519 9.080 162 HD2 LYS 21 HD2 LYS 21 1.382 -0.788 10.098 163 HD3 LYS 21 HD3 LYS 21 0.002 -1.002 11.194 164 HE2 LYS 21 HE2 LYS 21 -0.305 -3.040 9.243 165 HE3 LYS 21 HE3 LYS 21 1.440 -2.941 9.468 166 HZ1 LYS 21 HZ1 LYS 21 -0.597 -3.561 11.502 167 HZ2 LYS 21 HZ2 LYS 21 0.970 -3.208 11.894 168 HZ3 LYS 21 HZ3 LYS 21 0.621 -4.511 10.960 169 H GLU 22 HN GLU 22 -1.186 1.098 6.929 170 HA GLU 22 HA GLU 22 -2.197 3.605 7.744 171 HB2 GLU 22 HB2 GLU 22 -0.315 2.632 5.675 172 HB3 GLU 22 HB3 GLU 22 -0.989 4.225 5.422 173 HG2 GLU 22 HG2 GLU 22 0.173 3.453 8.108 174 HG3 GLU 22 HG3 GLU 22 1.216 3.996 6.810 175 H ALA 23 HN ALA 23 -2.869 1.755 4.693 176 HA ALA 23 HA ALA 23 -4.702 3.686 3.693 177 HB1 ALA 23 HB1 ALA 23 -3.566 2.019 2.304 178 HB2 ALA 23 HB2 ALA 23 -4.495 0.726 3.113 179 HB3 ALA 23 HB3 ALA 23 -5.323 1.931 2.102 180 H LYS 24 HN LYS 24 -5.263 1.724 6.424 181 HA LYS 24 HA LYS 24 -8.204 2.162 6.019 182 HB2 LYS 24 HB2 LYS 24 -8.826 0.460 7.377 183 HB3 LYS 24 HB3 LYS 24 -7.576 -0.173 6.304 184 HG2 LYS 24 HG2 LYS 24 -5.926 -0.004 8.151 185 HG3 LYS 24 HG3 LYS 24 -7.211 0.672 9.163 186 HD2 LYS 24 HD2 LYS 24 -6.872 -1.712 9.688 187 HD3 LYS 24 HD3 LYS 24 -8.471 -1.466 8.967 188 HE2 LYS 24 HE2 LYS 24 -7.617 -2.188 6.771 189 HE3 LYS 24 HE3 LYS 24 -6.004 -2.434 7.445 190 HZ1 LYS 24 HZ1 LYS 24 -8.406 -3.881 8.413 191 HZ2 LYS 24 HZ2 LYS 24 -6.825 -4.288 8.680 192 HZ3 LYS 24 HZ3 LYS 24 -7.476 -4.422 7.190 193 H LYS 25 HN LYS 25 -5.442 2.742 8.179 194 HA LYS 25 HA LYS 25 -7.048 3.924 10.247 195 HB2 LYS 25 HB2 LYS 25 -5.031 4.301 11.347 196 HB3 LYS 25 HB3 LYS 25 -4.712 2.890 10.399 197 HG2 LYS 25 HG2 LYS 25 -2.779 4.093 10.057 198 HG3 LYS 25 HG3 LYS 25 -3.725 4.559 8.664 199 HD2 LYS 25 HD2 LYS 25 -3.386 6.706 9.165 200 HD3 LYS 25 HD3 LYS 25 -4.405 6.489 10.601 201 HE2 LYS 25 HE2 LYS 25 -2.331 5.633 11.795 202 HE3 LYS 25 HE3 LYS 25 -1.397 6.112 10.377 203 HZ1 LYS 25 HZ1 LYS 25 -3.053 7.985 11.969 204 HZ2 LYS 25 HZ2 LYS 25 -2.050 8.378 10.743 205 HZ3 LYS 25 HZ3 LYS 25 -1.411 7.773 12.131 206 H ARG 26 HN ARG 26 -5.316 5.224 7.448 207 HA ARG 26 HA ARG 26 -5.676 7.975 8.119 208 HB2 ARG 26 HB2 ARG 26 -3.973 6.920 6.581 209 HB3 ARG 26 HB3 ARG 26 -5.235 6.680 5.407 210 HG2 ARG 26 HG2 ARG 26 -4.789 8.688 4.562 211 HG3 ARG 26 HG3 ARG 26 -5.347 9.448 6.060 212 HD2 ARG 26 HD2 ARG 26 -3.170 9.443 7.010 213 HD3 ARG 26 HD3 ARG 26 -2.511 8.492 5.664 214 HE ARG 26 HE ARG 26 -3.694 10.829 4.600 215 HH11 ARG 26 HH11 ARG 26 -0.915 9.928 6.616 216 HH12 ARG 26 HH12 ARG 26 0.018 11.353 6.205 217 HH21 ARG 26 HH21 ARG 26 -2.428 12.571 3.932 218 HH22 ARG 26 HH22 ARG 26 -0.805 12.837 4.494 219 H TYR 27 HN TYR 27 -8.168 5.805 7.418 220 HA TYR 27 HA TYR 27 -9.800 7.805 5.954 221 HB2 TYR 27 HB2 TYR 27 -9.319 4.893 5.241 222 HB3 TYR 27 HB3 TYR 27 -10.602 5.890 4.564 223 HD1 TYR 27 HD2 TYR 27 -10.082 7.889 3.181 224 HD2 TYR 27 HD1 TYR 27 -7.045 5.098 4.412 225 HE1 TYR 27 HE2 TYR 27 -8.481 8.965 1.631 226 HE2 TYR 27 HE1 TYR 27 -5.442 6.138 2.838 227 HH TYR 27 HH TYR 27 -6.266 9.065 0.964 228 HA PRO 28 HA PRO 28 -11.975 6.037 9.608 229 HB2 PRO 28 HB2 PRO 28 -13.132 8.482 10.353 230 HB3 PRO 28 HB3 PRO 28 -11.642 7.762 11.011 231 HG2 PRO 28 HG2 PRO 28 -11.903 10.032 9.119 232 HG3 PRO 28 HG3 PRO 28 -10.524 9.532 10.166 233 HD2 PRO 28 HD2 PRO 28 -10.774 9.177 7.379 234 HD3 PRO 28 HD3 PRO 28 -9.506 8.549 8.483 235 H LEU 29 HN LEU 29 -13.049 8.376 7.119 236 HA LEU 29 HA LEU 29 -15.838 7.854 7.284 237 HB2 LEU 29 HB2 LEU 29 -13.971 9.078 5.249 238 HB3 LEU 29 HB3 LEU 29 -15.617 8.756 4.768 239 HG LEU 29 HG LEU 29 -16.482 10.187 6.505 240 HD11 LEU 29 HD11 LEU 29 -14.963 9.837 8.390 241 HD12 LEU 29 HD12 LEU 29 -15.059 11.560 8.004 242 HD13 LEU 29 HD13 LEU 29 -13.648 10.641 7.475 243 HD21 LEU 29 HD21 LEU 29 -15.706 11.278 4.420 244 HD22 LEU 29 HD22 LEU 29 -14.110 11.528 5.190 245 HD23 LEU 29 HD23 LEU 29 -15.515 12.360 5.833 246 H ALA 30 HN ALA 30 -13.417 5.697 6.241 247 HA ALA 30 HA ALA 30 -15.278 4.192 4.535 248 HB1 ALA 30 HB1 ALA 30 -13.493 4.061 2.780 249 HB2 ALA 30 HB2 ALA 30 -14.036 5.732 3.041 250 HB3 ALA 30 HB3 ALA 30 -12.504 5.192 3.718 251 H GLN 31 HN GLN 31 -14.024 2.152 3.753 252 HA GLN 31 HA GLN 31 -12.312 0.993 5.895 253 HB2 GLN 31 HB2 GLN 31 -14.443 -0.587 4.434 254 HB3 GLN 31 HB3 GLN 31 -13.462 -1.081 5.804 255 HG2 GLN 31 HG2 GLN 31 -15.027 -0.433 7.249 256 HG3 GLN 31 HG3 GLN 31 -14.915 1.226 6.654 257 HE21 GLN 31 HE21 GLN 31 -16.080 0.995 3.988 258 HE22 GLN 31 HE22 GLN 31 -17.703 0.365 4.231 259 H VAL 32 HN VAL 32 -10.859 -0.703 4.931 260 HA VAL 32 HA VAL 32 -10.414 -0.176 2.049 261 HB VAL 32 HB VAL 32 -8.622 0.330 3.765 262 HG11 VAL 32 HG11 VAL 32 -8.187 -2.687 3.770 263 HG12 VAL 32 HG12 VAL 32 -7.136 -1.460 4.493 264 HG13 VAL 32 HG13 VAL 32 -8.777 -1.718 5.139 265 HG21 VAL 32 HG21 VAL 32 -7.852 -1.601 1.555 266 HG22 VAL 32 HG22 VAL 32 -8.216 0.121 1.329 267 HG23 VAL 32 HG23 VAL 32 -6.831 -0.356 2.315 268 H LEU 33 HN LEU 33 -10.512 -1.841 0.572 269 HA LEU 33 HA LEU 33 -11.085 -4.602 1.526 270 HB2 LEU 33 HB2 LEU 33 -12.904 -4.463 -0.406 271 HB3 LEU 33 HB3 LEU 33 -13.257 -4.131 1.263 272 HG LEU 33 HG LEU 33 -12.484 -1.828 -0.523 273 HD11 LEU 33 HD11 LEU 33 -15.321 -2.930 -0.439 274 HD12 LEU 33 HD12 LEU 33 -14.200 -3.176 -1.776 275 HD13 LEU 33 HD13 LEU 33 -14.688 -1.541 -1.371 276 HD21 LEU 33 HD21 LEU 33 -13.083 -1.733 2.080 277 HD22 LEU 33 HD22 LEU 33 -14.737 -1.897 1.536 278 HD23 LEU 33 HD23 LEU 33 -13.737 -0.532 0.976 279 H PHE 34 HN PHE 34 -8.703 -3.262 0.039 280 HA PHE 34 HA PHE 34 -8.567 -5.238 -2.170 281 HB2 PHE 34 HB2 PHE 34 -9.053 -2.402 -2.404 282 HB3 PHE 34 HB3 PHE 34 -7.477 -2.772 -3.107 283 HD1 PHE 34 HD2 PHE 34 -11.111 -3.626 -3.223 284 HD2 PHE 34 HD1 PHE 34 -7.362 -3.600 -5.331 285 HE1 PHE 34 HE2 PHE 34 -12.258 -4.460 -5.256 286 HE2 PHE 34 HE1 PHE 34 -8.483 -4.536 -7.325 287 HZ PHE 34 HZ PHE 34 -10.941 -4.934 -7.308 288 H LYS 35 HN LYS 35 -6.332 -5.644 -2.768 289 HA LYS 35 HA LYS 35 -4.170 -4.251 -1.467 290 HB2 LYS 35 HB2 LYS 35 -4.404 -7.247 -0.928 291 HB3 LYS 35 HB3 LYS 35 -3.116 -6.145 -0.417 292 HG2 LYS 35 HG2 LYS 35 -4.770 -5.046 1.126 293 HG3 LYS 35 HG3 LYS 35 -5.961 -6.282 0.657 294 HD2 LYS 35 HD2 LYS 35 -4.244 -8.046 1.371 295 HD3 LYS 35 HD3 LYS 35 -3.260 -6.726 1.971 296 HE2 LYS 35 HE2 LYS 35 -4.300 -7.437 3.893 297 HE3 LYS 35 HE3 LYS 35 -5.329 -6.076 3.422 298 HZ1 LYS 35 HZ1 LYS 35 -6.947 -7.601 2.642 299 HZ2 LYS 35 HZ2 LYS 35 -6.498 -8.089 4.135 300 HZ3 LYS 35 HZ3 LYS 35 -5.937 -8.930 2.862 301 H GLN 36 HN GLN 36 -3.745 -3.769 -3.763 302 HA GLN 36 HA GLN 36 -3.111 -6.175 -5.418 303 HB2 GLN 36 HB2 GLN 36 -4.998 -4.151 -5.947 304 HB3 GLN 36 HB3 GLN 36 -3.604 -3.742 -6.950 305 HG2 GLN 36 HG2 GLN 36 -3.603 -6.049 -7.861 306 HG3 GLN 36 HG3 GLN 36 -4.981 -6.474 -6.837 307 HE21 GLN 36 HE21 GLN 36 -6.923 -6.623 -8.211 308 HE22 GLN 36 HE22 GLN 36 -7.023 -5.604 -9.617 309 H LYS 37 HN LYS 37 -1.197 -6.229 -6.520 310 HA LYS 37 HA LYS 37 1.019 -4.804 -5.305 311 HB2 LYS 37 HB2 LYS 37 0.813 -6.550 -7.786 312 HB3 LYS 37 HB3 LYS 37 2.346 -6.002 -7.124 313 HG2 LYS 37 HG2 LYS 37 2.261 -7.447 -5.300 314 HG3 LYS 37 HG3 LYS 37 0.502 -7.475 -5.253 315 HD2 LYS 37 HD2 LYS 37 1.187 -9.642 -5.960 316 HD3 LYS 37 HD3 LYS 37 0.432 -8.836 -7.312 317 HE2 LYS 37 HE2 LYS 37 2.257 -9.986 -8.207 318 HE3 LYS 37 HE3 LYS 37 2.748 -8.297 -8.204 319 HZ1 LYS 37 HZ1 LYS 37 4.119 -8.736 -6.294 320 HZ2 LYS 37 HZ2 LYS 37 4.427 -9.914 -7.425 321 HZ3 LYS 37 HZ3 LYS 37 3.506 -10.233 -6.087 322 H VAL 38 HN VAL 38 2.615 -3.467 -6.522 323 HA VAL 38 HA VAL 38 1.602 -2.125 -8.933 324 HB VAL 38 HB VAL 38 2.087 0.081 -8.162 325 HG11 VAL 38 HG11 VAL 38 -0.176 -0.815 -7.664 326 HG12 VAL 38 HG12 VAL 38 0.379 -1.265 -6.040 327 HG13 VAL 38 HG13 VAL 38 0.343 0.442 -6.535 328 HG21 VAL 38 HG21 VAL 38 3.949 -0.246 -6.640 329 HG22 VAL 38 HG22 VAL 38 2.645 0.569 -5.785 330 HG23 VAL 38 HG23 VAL 38 2.921 -1.165 -5.521 331 H TRP 39 HN TRP 39 3.614 -0.421 -9.450 332 HA TRP 39 HA TRP 39 5.725 -1.764 -10.579 333 HB2 TRP 39 HB2 TRP 39 4.944 0.616 -10.897 334 HB3 TRP 39 HB3 TRP 39 5.718 1.036 -9.376 335 HD1 TRP 39 HD1 TRP 39 6.685 -0.513 -12.763 336 HE1 TRP 39 HE1 TRP 39 8.952 0.395 -13.529 337 HE3 TRP 39 HE3 TRP 39 7.762 2.438 -8.727 338 HZ2 TRP 39 HZ2 TRP 39 10.766 2.462 -12.692 339 HZ3 TRP 39 HZ3 TRP 39 9.729 3.945 -8.777 340 HH2 TRP 39 HH2 TRP 39 11.213 4.009 -10.773 341 H ASP 40 HN ASP 40 7.920 -2.239 -9.963 342 HA ASP 40 HA ASP 40 8.694 -1.826 -7.157 343 HB2 ASP 40 HB2 ASP 40 8.442 -3.912 -6.476 344 HB3 ASP 40 HB3 ASP 40 7.617 -4.315 -7.955 345 H ARG 41 HN ARG 41 10.721 -0.999 -7.254 346 HA ARG 41 HA ARG 41 12.694 -1.855 -9.193 347 HB2 ARG 41 HB2 ARG 41 11.157 -0.409 -10.558 348 HB3 ARG 41 HB3 ARG 41 11.364 0.903 -9.439 349 HG2 ARG 41 HG2 ARG 41 13.805 -0.243 -10.809 350 HG3 ARG 41 HG3 ARG 41 12.657 0.685 -11.755 351 HD2 ARG 41 HD2 ARG 41 12.928 2.641 -10.355 352 HD3 ARG 41 HD3 ARG 41 13.942 1.750 -9.223 353 HE ARG 41 HE ARG 41 15.742 2.040 -10.556 354 HH11 ARG 41 HH11 ARG 41 12.913 2.745 -12.590 355 HH12 ARG 41 HH12 ARG 41 13.875 3.045 -14.011 356 HH21 ARG 41 HH21 ARG 41 16.932 2.579 -12.301 357 HH22 ARG 41 HH22 ARG 41 16.245 2.992 -13.855 358 H LYS 42 HN LYS 42 14.799 -1.028 -8.478 359 HA LYS 42 HA LYS 42 14.625 0.738 -6.068 360 HB2 LYS 42 HB2 LYS 42 16.291 -0.266 -4.933 361 HB3 LYS 42 HB3 LYS 42 15.379 -1.612 -5.529 362 HG2 LYS 42 HG2 LYS 42 17.161 -2.456 -6.640 363 HG3 LYS 42 HG3 LYS 42 17.651 -0.895 -7.298 364 HD2 LYS 42 HD2 LYS 42 18.517 -0.370 -4.897 365 HD3 LYS 42 HD3 LYS 42 18.347 -2.106 -4.606 366 HE2 LYS 42 HE2 LYS 42 19.892 -2.602 -6.449 367 HE3 LYS 42 HE3 LYS 42 19.930 -0.888 -6.920 368 HZ1 LYS 42 HZ1 LYS 42 21.873 -1.561 -5.619 369 HZ2 LYS 42 HZ2 LYS 42 20.913 -1.935 -4.341 370 HZ3 LYS 42 HZ3 LYS 42 21.034 -0.373 -4.867 371 H ARG 43 HN ARG 43 16.152 2.294 -5.805 372 HA ARG 43 HA ARG 43 17.395 3.394 -8.256 373 HB2 ARG 43 HB2 ARG 43 16.846 4.526 -5.477 374 HB3 ARG 43 HB3 ARG 43 18.020 5.250 -6.555 375 HG2 ARG 43 HG2 ARG 43 16.232 6.530 -6.980 376 HG3 ARG 43 HG3 ARG 43 16.206 5.428 -8.339 377 HD2 ARG 43 HD2 ARG 43 14.254 4.354 -7.580 378 HD3 ARG 43 HD3 ARG 43 14.576 4.785 -5.884 379 HE ARG 43 HE ARG 43 14.260 7.224 -6.987 380 HH11 ARG 43 HH11 ARG 43 12.046 4.412 -6.908 381 HH12 ARG 43 HH12 ARG 43 10.754 5.435 -6.291 382 HH21 ARG 43 HH21 ARG 43 12.499 8.405 -6.525 383 HH22 ARG 43 HH22 ARG 43 10.944 7.648 -6.161 384 H LYS 44 HN LYS 44 19.695 4.467 -6.953 385 HA LYS 44 HA LYS 44 21.434 2.157 -6.869 386 HB2 LYS 44 HB2 LYS 44 21.767 5.103 -6.245 387 HB3 LYS 44 HB3 LYS 44 22.975 3.951 -5.690 388 HG2 LYS 44 HG2 LYS 44 23.628 4.950 -7.825 389 HG3 LYS 44 HG3 LYS 44 23.478 3.191 -7.894 390 HD2 LYS 44 HD2 LYS 44 21.295 3.383 -8.990 391 HD3 LYS 44 HD3 LYS 44 21.376 5.153 -8.909 392 HE2 LYS 44 HE2 LYS 44 23.652 3.673 -10.209 393 HE3 LYS 44 HE3 LYS 44 22.102 3.651 -11.049 394 HZ1 LYS 44 HZ1 LYS 44 23.542 6.108 -10.270 395 HZ2 LYS 44 HZ2 LYS 44 22.086 6.031 -11.046 396 HZ3 LYS 44 HZ3 LYS 44 23.444 5.443 -11.779 397 H ASP 45 HN ASP 45 20.254 4.318 -4.215 398 HA ASP 45 HA ASP 45 21.265 2.292 -2.272 399 HB2 ASP 45 HB2 ASP 45 21.138 5.328 -2.244 400 HB3 ASP 45 HB3 ASP 45 21.490 4.358 -0.817 401 H GLU 46 HN GLU 46 18.348 2.642 -3.463 402 HA GLU 46 HA GLU 46 16.958 2.564 -0.958 403 HB2 GLU 46 HB2 GLU 46 17.295 5.129 -1.895 404 HB3 GLU 46 HB3 GLU 46 15.743 4.680 -2.626 405 HG2 GLU 46 HG2 GLU 46 14.827 4.060 -0.501 406 HG3 GLU 46 HG3 GLU 46 16.398 4.197 0.320 407 H ALA 47 HN ALA 47 14.724 1.901 -1.317 408 HA ALA 47 HA ALA 47 14.245 0.668 -3.966 409 HB1 ALA 47 HB1 ALA 47 15.464 -0.980 -2.656 410 HB2 ALA 47 HB2 ALA 47 14.340 -0.750 -1.286 411 HB3 ALA 47 HB3 ALA 47 13.756 -1.440 -2.825 412 H VAL 48 HN VAL 48 12.163 0.050 -4.378 413 HA VAL 48 HA VAL 48 10.034 1.258 -2.723 414 HB VAL 48 HB VAL 48 10.828 1.911 -5.587 415 HG11 VAL 48 HG11 VAL 48 8.316 2.771 -4.151 416 HG12 VAL 48 HG12 VAL 48 8.874 3.383 -5.714 417 HG13 VAL 48 HG13 VAL 48 8.398 1.691 -5.564 418 HG21 VAL 48 HG21 VAL 48 10.719 4.302 -4.562 419 HG22 VAL 48 HG22 VAL 48 10.725 3.507 -3.000 420 HG23 VAL 48 HG23 VAL 48 12.095 3.301 -4.097 421 H LYS 49 HN LYS 49 8.341 -0.026 -2.647 422 HA LYS 49 HA LYS 49 7.264 -1.535 -4.769 423 HB2 LYS 49 HB2 LYS 49 7.281 -3.728 -3.335 424 HB3 LYS 49 HB3 LYS 49 8.676 -3.380 -4.347 425 HG2 LYS 49 HG2 LYS 49 10.039 -2.746 -2.591 426 HG3 LYS 49 HG3 LYS 49 8.688 -2.512 -1.471 427 HD2 LYS 49 HD2 LYS 49 9.767 -4.335 -0.688 428 HD3 LYS 49 HD3 LYS 49 8.357 -5.033 -1.464 429 HE2 LYS 49 HE2 LYS 49 11.081 -4.803 -2.823 430 HE3 LYS 49 HE3 LYS 49 10.730 -6.084 -1.654 431 HZ1 LYS 49 HZ1 LYS 49 9.031 -5.676 -4.035 432 HZ2 LYS 49 HZ2 LYS 49 9.183 -7.029 -3.104 433 HZ3 LYS 49 HZ3 LYS 49 10.400 -6.544 -4.101 434 H GLN 50 HN GLN 50 5.014 -1.700 -4.199 435 HA GLN 50 HA GLN 50 4.206 -1.155 -1.455 436 HB2 GLN 50 HB2 GLN 50 3.350 0.819 -3.601 437 HB3 GLN 50 HB3 GLN 50 2.730 0.705 -1.977 438 HG2 GLN 50 HG2 GLN 50 4.109 2.311 -1.518 439 HG3 GLN 50 HG3 GLN 50 5.253 1.041 -1.233 440 HE21 GLN 50 HE21 GLN 50 5.177 0.801 -4.461 441 HE22 GLN 50 HE22 GLN 50 6.107 2.137 -4.996 442 H TYR 51 HN TYR 51 1.568 -0.702 -1.822 443 HA TYR 51 HA TYR 51 0.497 -2.568 -3.770 444 HB2 TYR 51 HB2 TYR 51 -0.337 -2.513 -0.837 445 HB3 TYR 51 HB3 TYR 51 -1.087 -3.470 -2.108 446 HD1 TYR 51 HD1 TYR 51 1.932 -3.076 0.043 447 HD2 TYR 51 HD2 TYR 51 0.005 -5.512 -2.961 448 HE1 TYR 51 HE1 TYR 51 3.670 -4.806 0.353 449 HE2 TYR 51 HE2 TYR 51 1.712 -7.281 -2.618 450 HH TYR 51 HH TYR 51 4.655 -6.720 -1.113 451 H HIS 52 HN HIS 52 -1.366 -1.652 -4.619 452 HA HIS 52 HA HIS 52 -2.301 1.035 -3.778 453 HB2 HIS 52 HB2 HIS 52 -2.031 0.532 -6.209 454 HB3 HIS 52 HB3 HIS 52 -3.070 -0.885 -6.029 455 HD1 HIS 52 HD1 HIS 52 -5.166 -0.227 -7.392 456 HD2 HIS 52 HD2 HIS 52 -3.648 2.886 -4.998 457 HE1 HIS 52 HE1 HIS 52 -6.822 1.718 -7.564 458 H LEU 53 HN LEU 53 -4.469 1.149 -2.843 459 HA LEU 53 HA LEU 53 -5.802 -1.389 -2.281 460 HB2 LEU 53 HB2 LEU 53 -5.204 0.603 -0.042 461 HB3 LEU 53 HB3 LEU 53 -6.238 -0.814 0.009 462 HG LEU 53 HG LEU 53 -4.002 -2.097 -0.687 463 HD11 LEU 53 HD11 LEU 53 -2.023 -1.206 0.378 464 HD12 LEU 53 HD12 LEU 53 -2.928 0.163 1.047 465 HD13 LEU 53 HD13 LEU 53 -2.642 0.070 -0.699 466 HD21 LEU 53 HD21 LEU 53 -4.464 -1.220 2.178 467 HD22 LEU 53 HD22 LEU 53 -3.563 -2.650 1.612 468 HD23 LEU 53 HD23 LEU 53 -5.307 -2.547 1.397 469 H THR 54 HN THR 54 -8.085 -0.973 -1.849 470 HA THR 54 HA THR 54 -9.013 1.654 -2.881 471 HB THR 54 HB THR 54 -10.225 -1.086 -3.364 472 HG1 THR 54 HG1 THR 54 -8.197 -0.442 -4.493 473 HG21 THR 54 HG21 THR 54 -11.659 -0.036 -4.970 474 HG22 THR 54 HG22 THR 54 -11.033 1.568 -4.537 475 HG23 THR 54 HG23 THR 54 -11.942 0.609 -3.337 476 H LEU 55 HN LEU 55 -10.341 2.655 -1.724 477 HA LEU 55 HA LEU 55 -11.347 1.500 0.840 478 HB2 LEU 55 HB2 LEU 55 -10.940 4.303 -0.245 479 HB3 LEU 55 HB3 LEU 55 -12.025 4.041 1.111 480 HG LEU 55 HG LEU 55 -9.911 4.811 1.876 481 HD11 LEU 55 HD11 LEU 55 -11.195 3.209 3.306 482 HD12 LEU 55 HD12 LEU 55 -9.455 3.281 3.635 483 HD13 LEU 55 HD13 LEU 55 -10.109 1.942 2.713 484 HD21 LEU 55 HD21 LEU 55 -8.599 2.288 0.823 485 HD22 LEU 55 HD22 LEU 55 -7.829 3.623 1.694 486 HD23 LEU 55 HD23 LEU 55 -8.503 3.876 0.063 487 H ARG 56 HN ARG 56 -13.604 2.065 1.488 488 HA ARG 56 HA ARG 56 -15.461 3.021 -0.640 489 HB2 ARG 56 HB2 ARG 56 -15.607 0.632 -0.852 490 HB3 ARG 56 HB3 ARG 56 -15.696 0.383 0.920 491 HG2 ARG 56 HG2 ARG 56 -17.899 1.131 1.047 492 HG3 ARG 56 HG3 ARG 56 -17.914 1.837 -0.569 493 HD2 ARG 56 HD2 ARG 56 -17.967 -0.205 -1.664 494 HD3 ARG 56 HD3 ARG 56 -17.257 -1.085 -0.285 495 HE ARG 56 HE ARG 56 -19.794 -0.109 0.524 496 HH11 ARG 56 HH11 ARG 56 -18.499 -2.325 -1.911 497 HH12 ARG 56 HH12 ARG 56 -19.713 -3.512 -1.726 498 HH21 ARG 56 HH21 ARG 56 -21.522 -1.636 0.682 499 HH22 ARG 56 HH22 ARG 56 -21.465 -3.164 -0.148 500 H GLU 57 HN GLU 57 -16.734 4.572 0.236 501 HA GLU 57 HA GLU 57 -16.538 5.070 3.101 502 HB2 GLU 57 HB2 GLU 57 -17.276 7.313 2.764 503 HB3 GLU 57 HB3 GLU 57 -15.774 6.877 2.039 504 HG2 GLU 57 HG2 GLU 57 -16.446 7.105 0.109 505 HG3 GLU 57 HG3 GLU 57 -17.981 6.267 0.196 506 H GLY 58 HN GLY 58 -18.549 3.419 1.389 507 HA2 GLY 58 HA1 GLY 58 -20.867 3.061 2.761 508 HA3 GLY 58 HA2 GLY 58 -21.167 4.635 2.045 509 H SER 59 HN SER 59 -21.647 4.760 -0.195 510 HA SER 59 HA SER 59 -21.666 2.201 -1.667 511 HB2 SER 59 HB2 SER 59 -23.672 4.135 -1.279 512 HB3 SER 59 HB3 SER 59 -23.161 4.314 -2.951 513 HG SER 59 HG SER 59 -23.727 2.269 -3.376 514 H LYS 60 HN LYS 60 -19.984 5.269 -1.503 515 HA LYS 60 HA LYS 60 -18.995 4.957 -4.264 516 HB2 LYS 60 HB2 LYS 60 -19.218 7.241 -3.654 517 HB3 LYS 60 HB3 LYS 60 -18.425 7.022 -2.106 518 HG2 LYS 60 HG2 LYS 60 -16.390 6.923 -3.070 519 HG3 LYS 60 HG3 LYS 60 -16.942 6.315 -4.643 520 HD2 LYS 60 HD2 LYS 60 -15.964 8.482 -4.766 521 HD3 LYS 60 HD3 LYS 60 -17.643 8.470 -5.356 522 HE2 LYS 60 HE2 LYS 60 -18.399 9.758 -3.528 523 HE3 LYS 60 HE3 LYS 60 -16.992 9.317 -2.527 524 HZ1 LYS 60 HZ1 LYS 60 -15.584 10.626 -3.868 525 HZ2 LYS 60 HZ2 LYS 60 -16.855 11.566 -3.390 526 HZ3 LYS 60 HZ3 LYS 60 -16.746 11.001 -4.943 527 H GLU 61 HN GLU 61 -16.922 4.278 -4.715 528 HA GLU 61 HA GLU 61 -15.284 2.971 -2.673 529 HB2 GLU 61 HB2 GLU 61 -16.823 1.355 -3.873 530 HB3 GLU 61 HB3 GLU 61 -16.140 1.942 -5.389 531 HG2 GLU 61 HG2 GLU 61 -13.870 1.182 -4.444 532 HG3 GLU 61 HG3 GLU 61 -14.801 0.324 -3.191 533 H PHE 62 HN PHE 62 -13.030 3.391 -3.155 534 HA PHE 62 HA PHE 62 -12.353 5.009 -5.506 535 HB2 PHE 62 HB2 PHE 62 -11.905 6.995 -4.266 536 HB3 PHE 62 HB3 PHE 62 -13.572 6.579 -4.095 537 HD1 PHE 62 HD1 PHE 62 -14.514 5.774 -2.010 538 HD2 PHE 62 HD2 PHE 62 -10.385 7.020 -2.214 539 HE1 PHE 62 HE1 PHE 62 -14.472 6.079 0.440 540 HE2 PHE 62 HE2 PHE 62 -10.348 7.302 0.237 541 HZ PHE 62 HZ PHE 62 -12.434 6.888 1.585 542 H GLY 63 HN GLY 63 -10.129 5.123 -5.838 543 HA2 GLY 63 HA1 GLY 63 -8.580 3.161 -4.268 544 HA3 GLY 63 HA2 GLY 63 -8.182 3.811 -5.829 545 H VAL 64 HN VAL 64 -6.702 3.529 -3.136 546 HA VAL 64 HA VAL 64 -5.451 6.198 -3.339 547 HB VAL 64 HB VAL 64 -5.219 6.385 -1.019 548 HG11 VAL 64 HG11 VAL 64 -7.424 7.074 -1.898 549 HG12 VAL 64 HG12 VAL 64 -8.099 5.497 -1.472 550 HG13 VAL 64 HG13 VAL 64 -7.513 6.579 -0.208 551 HG21 VAL 64 HG21 VAL 64 -6.143 4.796 0.633 552 HG22 VAL 64 HG22 VAL 64 -6.372 3.619 -0.694 553 HG23 VAL 64 HG23 VAL 64 -4.744 4.175 -0.251 554 H PHE 65 HN PHE 65 -3.307 6.324 -3.243 555 HA PHE 65 HA PHE 65 -1.736 3.818 -3.636 556 HB2 PHE 65 HB2 PHE 65 -1.433 6.682 -4.613 557 HB3 PHE 65 HB3 PHE 65 -0.129 5.495 -4.730 558 HD1 PHE 65 HD1 PHE 65 -0.824 3.186 -5.885 559 HD2 PHE 65 HD2 PHE 65 -2.824 6.951 -6.410 560 HE1 PHE 65 HE1 PHE 65 -1.584 2.454 -8.132 561 HE2 PHE 65 HE2 PHE 65 -3.684 6.187 -8.620 562 HZ PHE 65 HZ PHE 65 -3.055 3.945 -9.486 563 H VAL 66 HN VAL 66 -1.140 3.350 -1.541 564 HA VAL 66 HA VAL 66 0.169 5.023 0.359 565 HB VAL 66 HB VAL 66 0.394 2.077 -0.369 566 HG11 VAL 66 HG11 VAL 66 1.562 3.451 2.078 567 HG12 VAL 66 HG12 VAL 66 1.404 1.696 1.855 568 HG13 VAL 66 HG13 VAL 66 2.453 2.605 0.788 569 HG21 VAL 66 HG21 VAL 66 -0.992 1.741 1.656 570 HG22 VAL 66 HG22 VAL 66 -1.055 3.493 1.916 571 HG23 VAL 66 HG23 VAL 66 -1.824 2.769 0.491 572 H THR 67 HN THR 67 2.524 5.387 0.687 573 HA THR 67 HA THR 67 4.247 4.380 -1.513 574 HB THR 67 HB THR 67 3.675 6.999 -1.643 575 HG1 THR 67 HG1 THR 67 5.755 7.159 -2.611 576 HG21 THR 67 HG21 THR 67 5.214 8.392 -0.551 577 HG22 THR 67 HG22 THR 67 6.076 7.026 0.188 578 HG23 THR 67 HG23 THR 67 4.405 7.398 0.658 579 H ILE 68 HN ILE 68 6.282 3.658 -0.683 580 HA ILE 68 HA ILE 68 6.911 4.026 2.169 581 HB ILE 68 HB ILE 68 6.604 1.251 0.935 582 HG12 ILE 68 HG12 ILE 68 5.191 2.529 3.332 583 HG13 ILE 68 HG13 ILE 68 4.469 2.234 1.751 584 HG21 ILE 68 HG21 ILE 68 7.654 2.032 3.697 585 HG22 ILE 68 HG22 ILE 68 7.481 0.383 3.062 586 HG23 ILE 68 HG23 ILE 68 8.665 1.461 2.354 587 HD11 ILE 68 HD11 ILE 68 4.803 -0.208 2.042 588 HD12 ILE 68 HD12 ILE 68 5.341 0.097 3.713 589 HD13 ILE 68 HD13 ILE 68 3.699 0.532 3.220 590 H SER 69 HN SER 69 8.843 4.980 1.873 591 HA SER 69 HA SER 69 10.724 4.155 -0.292 592 HB2 SER 69 HB2 SER 69 10.436 6.496 1.656 593 HB3 SER 69 HB3 SER 69 11.973 6.134 0.876 594 HG SER 69 HG SER 69 11.323 7.031 -0.801 595 H PHE 70 HN PHE 70 12.219 2.499 0.357 596 HA PHE 70 HA PHE 70 13.097 2.602 3.185 597 HB2 PHE 70 HB2 PHE 70 12.757 0.316 3.570 598 HB3 PHE 70 HB3 PHE 70 11.228 0.936 2.984 599 HD1 PHE 70 HD2 PHE 70 10.680 0.586 0.454 600 HD2 PHE 70 HD1 PHE 70 13.842 -1.504 2.502 601 HE1 PHE 70 HE2 PHE 70 10.692 -1.114 -1.301 602 HE2 PHE 70 HE1 PHE 70 13.709 -3.347 0.828 603 HZ PHE 70 HZ PHE 70 12.081 -3.185 -1.048 604 H ASP 71 HN ASP 71 15.042 1.608 3.599 605 HA ASP 71 HA ASP 71 16.981 1.968 1.427 606 HB2 ASP 71 HB2 ASP 71 16.969 2.016 4.316 607 HB3 ASP 71 HB3 ASP 71 18.116 0.774 3.814 608 HA PRO 72 HA PRO 72 17.009 -2.462 0.607 609 HB2 PRO 72 HB2 PRO 72 18.979 -2.819 -1.072 610 HB3 PRO 72 HB3 PRO 72 17.557 -1.819 -1.516 611 HG2 PRO 72 HG2 PRO 72 20.231 -0.776 -0.460 612 HG3 PRO 72 HG3 PRO 72 19.352 -0.246 -1.937 613 HD2 PRO 72 HD2 PRO 72 19.020 1.068 0.428 614 HD3 PRO 72 HD3 PRO 72 17.645 0.760 -0.674 615 H TYR 73 HN TYR 73 19.677 -0.833 2.150 616 HA TYR 73 HA TYR 73 21.543 -2.844 2.571 617 HB2 TYR 73 HB2 TYR 73 20.732 -0.492 4.259 618 HB3 TYR 73 HB3 TYR 73 22.117 -1.503 4.625 619 HD1 TYR 73 HD1 TYR 73 20.720 0.547 1.748 620 HD2 TYR 73 HD2 TYR 73 24.211 -0.810 3.859 621 HE1 TYR 73 HE1 TYR 73 22.098 1.959 0.303 622 HE2 TYR 73 HE2 TYR 73 25.628 0.632 2.411 623 HH TYR 73 HH TYR 73 24.266 2.705 -0.210 624 H SER 74 HN SER 74 18.909 -1.866 4.893 625 HA SER 74 HA SER 74 18.809 -4.640 5.945 626 HB2 SER 74 HB2 SER 74 20.631 -3.123 7.049 627 HB3 SER 74 HB3 SER 74 19.252 -2.307 7.816 628 HG SER 74 HG SER 74 19.885 -3.843 9.162 629 H GLN 75 HN GLN 75 16.913 -2.652 4.530 630 HA GLN 75 HA GLN 75 14.790 -1.907 4.648 631 HB2 GLN 75 HB2 GLN 75 14.771 -4.596 6.053 632 HB3 GLN 75 HB3 GLN 75 13.322 -3.624 6.124 633 HG2 GLN 75 HG2 GLN 75 12.684 -4.311 4.152 634 HG3 GLN 75 HG3 GLN 75 14.053 -3.554 3.395 635 HE21 GLN 75 HE21 GLN 75 15.467 -4.855 2.453 636 HE22 GLN 75 HE22 GLN 75 15.561 -6.562 2.416 637 H LYS 76 HN LYS 76 16.003 -0.066 5.812 638 HA LYS 76 HA LYS 76 14.443 0.545 8.281 639 HB2 LYS 76 HB2 LYS 76 16.800 1.921 6.904 640 HB3 LYS 76 HB3 LYS 76 15.586 2.822 7.811 641 HG2 LYS 76 HG2 LYS 76 16.069 1.225 9.784 642 HG3 LYS 76 HG3 LYS 76 17.536 0.774 8.893 643 HD2 LYS 76 HD2 LYS 76 18.075 3.251 8.765 644 HD3 LYS 76 HD3 LYS 76 16.666 3.569 9.778 645 HE2 LYS 76 HE2 LYS 76 17.689 2.376 11.633 646 HE3 LYS 76 HE3 LYS 76 19.013 1.788 10.605 647 HZ1 LYS 76 HZ1 LYS 76 19.649 3.716 11.970 648 HZ2 LYS 76 HZ2 LYS 76 18.527 4.640 11.250 649 HZ3 LYS 76 HZ3 LYS 76 19.781 4.055 10.367 650 H VAL 77 HN VAL 77 12.586 1.655 7.789 651 HA VAL 77 HA VAL 77 12.072 2.390 4.981 652 HB VAL 77 HB VAL 77 10.306 1.333 5.912 653 HG11 VAL 77 HG11 VAL 77 10.757 1.320 8.247 654 HG12 VAL 77 HG12 VAL 77 10.450 3.071 8.362 655 HG13 VAL 77 HG13 VAL 77 9.126 1.923 7.984 656 HG21 VAL 77 HG21 VAL 77 9.714 3.362 4.635 657 HG22 VAL 77 HG22 VAL 77 8.498 2.889 5.803 658 HG23 VAL 77 HG23 VAL 77 9.579 4.262 6.165 659 H ASN 78 HN ASN 78 12.544 4.338 4.287 660 HA ASN 78 HA ASN 78 13.863 6.229 6.081 661 HB2 ASN 78 HB2 ASN 78 13.353 6.255 3.070 662 HB3 ASN 78 HB3 ASN 78 14.179 7.541 3.949 663 HD21 ASN 78 HD21 ASN 78 14.953 4.940 2.123 664 HD22 ASN 78 HD22 ASN 78 16.395 4.405 3.025 665 H LYS 79 HN LYS 79 10.922 6.180 3.952 666 HA LYS 79 HA LYS 79 9.519 7.982 5.803 667 HB2 LYS 79 HB2 LYS 79 10.536 8.755 3.083 668 HB3 LYS 79 HB3 LYS 79 8.907 9.244 3.456 669 HG2 LYS 79 HG2 LYS 79 11.031 9.868 5.495 670 HG3 LYS 79 HG3 LYS 79 11.016 10.760 3.981 671 HD2 LYS 79 HD2 LYS 79 8.485 11.223 4.520 672 HD3 LYS 79 HD3 LYS 79 8.912 10.688 6.149 673 HE2 LYS 79 HE2 LYS 79 9.216 13.018 6.257 674 HE3 LYS 79 HE3 LYS 79 10.853 12.405 6.000 675 HZ1 LYS 79 HZ1 LYS 79 9.077 13.700 4.025 676 HZ2 LYS 79 HZ2 LYS 79 10.448 12.887 3.570 677 HZ3 LYS 79 HZ3 LYS 79 10.551 14.191 4.546 678 H ILE 80 HN ILE 80 7.232 8.266 5.085 679 HA ILE 80 HA ILE 80 6.082 6.180 3.373 680 HB ILE 80 HB ILE 80 5.414 6.561 6.333 681 HG12 ILE 80 HG12 ILE 80 6.618 4.180 4.860 682 HG13 ILE 80 HG13 ILE 80 7.402 5.196 6.078 683 HG21 ILE 80 HG21 ILE 80 3.378 6.188 5.030 684 HG22 ILE 80 HG22 ILE 80 4.084 4.720 4.302 685 HG23 ILE 80 HG23 ILE 80 3.693 4.814 6.043 686 HD11 ILE 80 HD11 ILE 80 5.175 3.213 6.530 687 HD12 ILE 80 HD12 ILE 80 6.799 3.219 7.217 688 HD13 ILE 80 HD13 ILE 80 5.631 4.463 7.721 689 H ALA 81 HN ALA 81 3.984 6.884 2.575 690 HA ALA 81 HA ALA 81 2.568 9.133 3.668 691 HB1 ALA 81 HB1 ALA 81 4.327 10.251 2.108 692 HB2 ALA 81 HB2 ALA 81 3.517 9.392 0.761 693 HB3 ALA 81 HB3 ALA 81 2.630 10.569 1.729 694 H ILE 82 HN ILE 82 0.719 9.546 1.878 695 HA ILE 82 HA ILE 82 -0.034 7.151 0.411 696 HB ILE 82 HB ILE 82 -1.909 8.650 2.298 697 HG12 ILE 82 HG12 ILE 82 -0.585 5.940 2.579 698 HG13 ILE 82 HG13 ILE 82 -0.420 7.356 3.625 699 HG21 ILE 82 HG21 ILE 82 -2.363 6.175 0.523 700 HG22 ILE 82 HG22 ILE 82 -3.514 6.747 1.738 701 HG23 ILE 82 HG23 ILE 82 -3.173 7.755 0.377 702 HD11 ILE 82 HD11 ILE 82 -1.782 6.126 4.916 703 HD12 ILE 82 HD12 ILE 82 -2.979 7.062 4.002 704 HD13 ILE 82 HD13 ILE 82 -2.624 5.375 3.538 705 H LEU 83 HN LEU 83 -1.783 7.854 -1.177 706 HA LEU 83 HA LEU 83 -2.014 10.691 -1.844 707 HB2 LEU 83 HB2 LEU 83 -0.088 9.802 -3.204 708 HB3 LEU 83 HB3 LEU 83 -1.062 8.482 -3.701 709 HG LEU 83 HG LEU 83 -2.504 10.886 -4.354 710 HD11 LEU 83 HD11 LEU 83 0.404 10.891 -5.229 711 HD12 LEU 83 HD12 LEU 83 -0.416 12.124 -4.249 712 HD13 LEU 83 HD13 LEU 83 -0.858 11.886 -5.950 713 HD21 LEU 83 HD21 LEU 83 -2.848 8.894 -5.530 714 HD22 LEU 83 HD22 LEU 83 -1.130 8.776 -6.023 715 HD23 LEU 83 HD23 LEU 83 -2.160 10.054 -6.678 716 H GLU 84 HN GLU 84 -4.117 10.965 -2.826 717 HA GLU 84 HA GLU 84 -5.832 8.523 -2.906 718 HB2 GLU 84 HB2 GLU 84 -6.088 10.279 -0.986 719 HB3 GLU 84 HB3 GLU 84 -6.620 11.348 -2.304 720 HG2 GLU 84 HG2 GLU 84 -8.263 9.160 -2.601 721 HG3 GLU 84 HG3 GLU 84 -8.010 9.171 -0.867 722 H GLU 85 HN GLU 85 -7.139 8.424 -4.638 723 HA GLU 85 HA GLU 85 -6.600 10.053 -7.029 724 HB2 GLU 85 HB2 GLU 85 -6.947 7.598 -7.109 725 HB3 GLU 85 HB3 GLU 85 -8.560 7.796 -6.462 726 HG2 GLU 85 HG2 GLU 85 -9.426 8.796 -8.370 727 HG3 GLU 85 HG3 GLU 85 -7.817 9.226 -9.013 728 H TYR 86 HN TYR 86 -8.215 11.497 -8.072 729 HA TYR 86 HA TYR 86 -10.673 12.087 -6.655 730 HB2 TYR 86 HB2 TYR 86 -10.051 14.533 -6.477 731 HB3 TYR 86 HB3 TYR 86 -9.143 13.502 -5.394 732 HD1 TYR 86 HD1 TYR 86 -8.899 15.370 -8.606 733 HD2 TYR 86 HD2 TYR 86 -6.744 13.459 -5.417 734 HE1 TYR 86 HE1 TYR 86 -6.828 16.054 -9.648 735 HE2 TYR 86 HE2 TYR 86 -4.593 14.216 -6.443 736 HH TYR 86 HH TYR 86 -4.607 15.476 -9.768 737 H GLN 87 HN GLN 87 -12.210 13.002 -8.145 738 HA GLN 87 HA GLN 87 -11.337 12.929 -10.984 739 HB2 GLN 87 HB2 GLN 87 -13.204 11.033 -9.505 740 HB3 GLN 87 HB3 GLN 87 -13.131 11.107 -11.259 741 HG2 GLN 87 HG2 GLN 87 -10.876 10.355 -11.351 742 HG3 GLN 87 HG3 GLN 87 -10.648 10.507 -9.615 743 HE21 GLN 87 HE21 GLN 87 -12.393 9.234 -8.236 744 HE22 GLN 87 HE22 GLN 87 -12.269 7.541 -8.647 Start of MODEL 15 1 H1 GLY 1 HN GLY 1 -12.328 -7.246 -1.045 2 HA2 GLY 1 HA1 GLY 1 -14.512 -8.390 -0.681 3 HA3 GLY 1 HA2 GLY 1 -15.011 -7.704 -2.245 4 H GLU 2 HN GLU 2 -13.491 -8.205 -4.128 5 HA GLU 2 HA GLU 2 -12.004 -10.705 -4.063 6 HB2 GLU 2 HB2 GLU 2 -12.742 -9.383 -6.117 7 HB3 GLU 2 HB3 GLU 2 -11.489 -8.202 -5.721 8 HG2 GLU 2 HG2 GLU 2 -9.749 -9.926 -5.945 9 HG3 GLU 2 HG3 GLU 2 -10.998 -11.181 -6.143 10 H GLU 3 HN GLU 3 -9.634 -10.760 -3.718 11 HA GLU 3 HA GLU 3 -8.725 -8.677 -1.741 12 HB2 GLU 3 HB2 GLU 3 -8.606 -11.708 -1.647 13 HB3 GLU 3 HB3 GLU 3 -7.670 -10.678 -0.576 14 HG2 GLU 3 HG2 GLU 3 -10.710 -10.517 -0.704 15 HG3 GLU 3 HG3 GLU 3 -9.852 -11.728 0.272 16 H THR 4 HN THR 4 -7.288 -11.633 -3.106 17 HA THR 4 HA THR 4 -5.200 -10.093 -4.504 18 HB THR 4 HB THR 4 -3.718 -12.158 -3.546 19 HG1 THR 4 HG1 THR 4 -5.614 -12.633 -2.052 20 HG21 THR 4 HG21 THR 4 -3.122 -9.800 -3.496 21 HG22 THR 4 HG22 THR 4 -2.727 -10.595 -1.976 22 HG23 THR 4 HG23 THR 4 -4.167 -9.530 -2.094 23 HA PRO 5 HA PRO 5 -6.077 -13.047 -7.573 24 HB2 PRO 5 HB2 PRO 5 -3.771 -13.296 -9.005 25 HB3 PRO 5 HB3 PRO 5 -4.786 -11.835 -9.011 26 HG2 PRO 5 HG2 PRO 5 -2.310 -12.348 -7.327 27 HG3 PRO 5 HG3 PRO 5 -2.702 -10.899 -8.327 28 HD2 PRO 5 HD2 PRO 5 -3.168 -10.953 -5.650 29 HD3 PRO 5 HD3 PRO 5 -4.309 -10.145 -6.781 30 H LEU 6 HN LEU 6 -3.710 -13.762 -5.112 31 HA LEU 6 HA LEU 6 -4.203 -16.651 -5.473 32 HB2 LEU 6 HB2 LEU 6 -2.141 -17.061 -4.277 33 HB3 LEU 6 HB3 LEU 6 -1.881 -16.359 -5.855 34 HG LEU 6 HG LEU 6 -1.948 -14.189 -3.922 35 HD11 LEU 6 HD11 LEU 6 -0.010 -16.410 -3.166 36 HD12 LEU 6 HD12 LEU 6 -1.429 -15.925 -2.230 37 HD13 LEU 6 HD13 LEU 6 -0.100 -14.790 -2.455 38 HD21 LEU 6 HD21 LEU 6 0.317 -13.770 -4.713 39 HD22 LEU 6 HD22 LEU 6 -0.762 -14.146 -6.070 40 HD23 LEU 6 HD23 LEU 6 0.375 -15.380 -5.470 41 H VAL 7 HN VAL 7 -6.019 -16.730 -4.289 42 HA VAL 7 HA VAL 7 -6.263 -15.674 -1.579 43 HB VAL 7 HB VAL 7 -7.799 -17.754 -3.205 44 HG11 VAL 7 HG11 VAL 7 -9.573 -17.629 -1.494 45 HG12 VAL 7 HG12 VAL 7 -8.087 -18.318 -0.819 46 HG13 VAL 7 HG13 VAL 7 -8.525 -16.634 -0.465 47 HG21 VAL 7 HG21 VAL 7 -8.542 -14.915 -2.314 48 HG22 VAL 7 HG22 VAL 7 -8.042 -15.372 -3.949 49 HG23 VAL 7 HG23 VAL 7 -9.544 -16.007 -3.285 50 H THR 8 HN THR 8 -4.923 -18.574 -3.196 51 HA THR 8 HA THR 8 -4.325 -20.014 -0.792 52 HB THR 8 HB THR 8 -2.978 -20.036 -3.534 53 HG1 THR 8 HG1 THR 8 -4.452 -21.484 -4.094 54 HG21 THR 8 HG21 THR 8 -2.278 -22.324 -2.883 55 HG22 THR 8 HG22 THR 8 -3.022 -22.104 -1.278 56 HG23 THR 8 HG23 THR 8 -1.624 -21.121 -1.758 57 H ALA 9 HN ALA 9 -3.594 -18.204 0.577 58 HA ALA 9 HA ALA 9 -0.972 -18.927 1.036 59 HB1 ALA 9 HB1 ALA 9 -1.235 -15.978 0.289 60 HB2 ALA 9 HB2 ALA 9 0.168 -16.693 1.132 61 HB3 ALA 9 HB3 ALA 9 -0.213 -17.213 -0.505 62 H ARG 10 HN ARG 10 -0.151 -17.914 3.038 63 HA ARG 10 HA ARG 10 -2.245 -16.928 4.911 64 HB2 ARG 10 HB2 ARG 10 -0.306 -19.209 5.310 65 HB3 ARG 10 HB3 ARG 10 -1.404 -18.609 6.529 66 HG2 ARG 10 HG2 ARG 10 -2.311 -19.936 3.946 67 HG3 ARG 10 HG3 ARG 10 -2.052 -20.747 5.472 68 HD2 ARG 10 HD2 ARG 10 -3.718 -18.466 6.037 69 HD3 ARG 10 HD3 ARG 10 -4.375 -19.235 4.593 70 HE ARG 10 HE ARG 10 -4.423 -20.194 7.304 71 HH11 ARG 10 HH11 ARG 10 -4.583 -21.258 3.919 72 HH12 ARG 10 HH12 ARG 10 -4.775 -22.935 4.240 73 HH21 ARG 10 HH21 ARG 10 -5.079 -22.395 7.792 74 HH22 ARG 10 HH22 ARG 10 -4.902 -23.613 6.554 75 H HIS 11 HN HIS 11 -0.036 -15.499 3.539 76 HA HIS 11 HA HIS 11 0.928 -14.203 5.793 77 HB2 HIS 11 HB2 HIS 11 3.327 -14.286 5.505 78 HB3 HIS 11 HB3 HIS 11 2.687 -15.873 5.877 79 HD1 HIS 11 HD1 HIS 11 5.314 -16.308 4.783 80 HD2 HIS 11 HD2 HIS 11 2.056 -15.419 2.317 81 HE1 HIS 11 HE1 HIS 11 5.959 -17.135 2.458 82 H MET 12 HN MET 12 2.354 -12.305 5.140 83 HA MET 12 HA MET 12 1.608 -11.282 2.450 84 HB2 MET 12 HB2 MET 12 1.636 -9.693 5.026 85 HB3 MET 12 HB3 MET 12 1.201 -9.107 3.419 86 HG2 MET 12 HG2 MET 12 -0.813 -10.514 3.442 87 HG3 MET 12 HG3 MET 12 -0.372 -11.092 5.052 88 HE1 MET 12 HE1 MET 12 -1.462 -7.941 2.947 89 HE2 MET 12 HE2 MET 12 -2.908 -8.830 3.492 90 HE3 MET 12 HE3 MET 12 -2.582 -7.204 4.098 91 H SER 13 HN SER 13 2.999 -9.459 1.884 92 HA SER 13 HA SER 13 5.790 -9.852 2.240 93 HB2 SER 13 HB2 SER 13 4.152 -8.492 0.449 94 HB3 SER 13 HB3 SER 13 4.865 -7.165 1.362 95 HG SER 13 HG SER 13 6.084 -9.178 -0.195 96 H LYS 14 HN LYS 14 7.149 -7.858 2.773 97 HA LYS 14 HA LYS 14 7.143 -7.465 5.609 98 HB2 LYS 14 HB2 LYS 14 9.159 -7.480 4.071 99 HB3 LYS 14 HB3 LYS 14 8.623 -5.947 3.403 100 HG2 LYS 14 HG2 LYS 14 10.263 -5.347 4.844 101 HG3 LYS 14 HG3 LYS 14 8.840 -4.933 5.723 102 HD2 LYS 14 HD2 LYS 14 9.624 -7.700 6.358 103 HD3 LYS 14 HD3 LYS 14 10.988 -6.597 6.585 104 HE2 LYS 14 HE2 LYS 14 9.651 -5.177 8.060 105 HE3 LYS 14 HE3 LYS 14 8.214 -6.188 7.804 106 HZ1 LYS 14 HZ1 LYS 14 9.124 -6.895 9.800 107 HZ2 LYS 14 HZ2 LYS 14 10.701 -6.789 9.274 108 HZ3 LYS 14 HZ3 LYS 14 9.734 -8.019 8.752 109 H TRP 15 HN TRP 15 6.090 -5.478 2.932 110 HA TRP 15 HA TRP 15 5.539 -3.182 4.690 111 HB2 TRP 15 HB2 TRP 15 5.764 -3.481 1.666 112 HB3 TRP 15 HB3 TRP 15 5.589 -1.950 2.536 113 HD1 TRP 15 HD1 TRP 15 8.135 -4.018 1.054 114 HE1 TRP 15 HE1 TRP 15 10.484 -3.417 1.870 115 HE3 TRP 15 HE3 TRP 15 6.810 -1.261 5.124 116 HZ2 TRP 15 HZ2 TRP 15 11.613 -1.846 4.145 117 HZ3 TRP 15 HZ3 TRP 15 8.517 -0.373 6.678 118 HH2 TRP 15 HH2 TRP 15 10.950 -0.664 6.157 119 H GLU 16 HN GLU 16 3.661 -5.686 3.540 120 HA GLU 16 HA GLU 16 1.485 -4.391 2.183 121 HB2 GLU 16 HB2 GLU 16 1.856 -7.006 3.690 122 HB3 GLU 16 HB3 GLU 16 0.290 -6.553 3.010 123 HG2 GLU 16 HG2 GLU 16 2.373 -6.249 0.982 124 HG3 GLU 16 HG3 GLU 16 2.512 -7.773 1.778 125 H GLU 17 HN GLU 17 1.880 -5.511 5.616 126 HA GLU 17 HA GLU 17 -0.734 -4.597 6.357 127 HB2 GLU 17 HB2 GLU 17 1.729 -5.220 8.052 128 HB3 GLU 17 HB3 GLU 17 0.120 -4.844 8.694 129 HG2 GLU 17 HG2 GLU 17 -0.781 -6.745 7.227 130 HG3 GLU 17 HG3 GLU 17 0.895 -7.242 6.986 131 H ILE 18 HN ILE 18 2.429 -3.016 6.275 132 HA ILE 18 HA ILE 18 1.648 -0.725 7.862 133 HB ILE 18 HB ILE 18 3.855 -1.138 5.794 134 HG12 ILE 18 HG12 ILE 18 3.993 -0.910 8.842 135 HG13 ILE 18 HG13 ILE 18 3.838 -2.466 8.031 136 HG21 ILE 18 HG21 ILE 18 3.295 1.295 5.969 137 HG22 ILE 18 HG22 ILE 18 3.466 1.211 7.724 138 HG23 ILE 18 HG23 ILE 18 4.865 0.960 6.663 139 HD11 ILE 18 HD11 ILE 18 6.173 -0.593 7.550 140 HD12 ILE 18 HD12 ILE 18 6.153 -1.952 8.662 141 HD13 ILE 18 HD13 ILE 18 5.937 -2.246 6.931 142 H ALA 19 HN ALA 19 1.596 -1.460 4.323 143 HA ALA 19 HA ALA 19 0.573 1.092 3.617 144 HB1 ALA 19 HB1 ALA 19 0.288 -1.567 2.169 145 HB2 ALA 19 HB2 ALA 19 -0.045 0.030 1.471 146 HB3 ALA 19 HB3 ALA 19 1.610 -0.389 1.976 147 H VAL 20 HN VAL 20 -1.109 -2.017 4.246 148 HA VAL 20 HA VAL 20 -3.755 -1.050 3.830 149 HB VAL 20 HB VAL 20 -2.619 -3.343 5.496 150 HG11 VAL 20 HG11 VAL 20 -4.874 -2.776 6.346 151 HG12 VAL 20 HG12 VAL 20 -5.533 -2.921 4.711 152 HG13 VAL 20 HG13 VAL 20 -4.854 -4.338 5.523 153 HG21 VAL 20 HG21 VAL 20 -2.286 -3.498 2.999 154 HG22 VAL 20 HG22 VAL 20 -3.344 -4.762 3.627 155 HG23 VAL 20 HG23 VAL 20 -4.039 -3.358 2.786 156 H LYS 21 HN LYS 21 -1.734 -1.152 6.838 157 HA LYS 21 HA LYS 21 -3.740 -0.166 8.573 158 HB2 LYS 21 HB2 LYS 21 -0.709 -0.088 8.681 159 HB3 LYS 21 HB3 LYS 21 -1.693 0.646 9.944 160 HG2 LYS 21 HG2 LYS 21 -2.679 -1.399 10.607 161 HG3 LYS 21 HG3 LYS 21 -2.142 -2.250 9.156 162 HD2 LYS 21 HD2 LYS 21 0.242 -1.933 9.879 163 HD3 LYS 21 HD3 LYS 21 -0.333 -1.219 11.380 164 HE2 LYS 21 HE2 LYS 21 -0.966 -4.047 10.413 165 HE3 LYS 21 HE3 LYS 21 0.310 -3.628 11.562 166 HZ1 LYS 21 HZ1 LYS 21 -1.485 -4.270 12.863 167 HZ2 LYS 21 HZ2 LYS 21 -2.591 -3.438 11.958 168 HZ3 LYS 21 HZ3 LYS 21 -1.526 -2.654 12.955 169 H GLU 22 HN GLU 22 -1.124 1.658 6.794 170 HA GLU 22 HA GLU 22 -1.990 4.184 7.719 171 HB2 GLU 22 HB2 GLU 22 -0.533 3.492 5.171 172 HB3 GLU 22 HB3 GLU 22 -0.901 5.138 5.747 173 HG2 GLU 22 HG2 GLU 22 0.688 3.154 7.338 174 HG3 GLU 22 HG3 GLU 22 1.422 4.353 6.312 175 H ALA 23 HN ALA 23 -3.037 2.313 4.825 176 HA ALA 23 HA ALA 23 -4.803 4.302 3.833 177 HB1 ALA 23 HB1 ALA 23 -4.026 2.421 2.477 178 HB2 ALA 23 HB2 ALA 23 -4.916 1.277 3.503 179 HB3 ALA 23 HB3 ALA 23 -5.792 2.475 2.522 180 H LYS 24 HN LYS 24 -5.308 2.008 6.534 181 HA LYS 24 HA LYS 24 -8.192 2.734 6.489 182 HB2 LYS 24 HB2 LYS 24 -8.664 1.164 8.065 183 HB3 LYS 24 HB3 LYS 24 -7.665 0.405 6.857 184 HG2 LYS 24 HG2 LYS 24 -6.055 -0.182 8.330 185 HG3 LYS 24 HG3 LYS 24 -6.068 1.404 9.086 186 HD2 LYS 24 HD2 LYS 24 -6.743 0.005 10.804 187 HD3 LYS 24 HD3 LYS 24 -8.205 0.821 10.225 188 HE2 LYS 24 HE2 LYS 24 -8.633 -1.308 8.823 189 HE3 LYS 24 HE3 LYS 24 -7.378 -2.064 9.822 190 HZ1 LYS 24 HZ1 LYS 24 -8.797 -1.309 11.786 191 HZ2 LYS 24 HZ2 LYS 24 -9.444 -2.500 10.847 192 HZ3 LYS 24 HZ3 LYS 24 -9.971 -0.962 10.694 193 H LYS 25 HN LYS 25 -5.269 3.412 8.413 194 HA LYS 25 HA LYS 25 -6.746 4.584 10.609 195 HB2 LYS 25 HB2 LYS 25 -4.550 5.310 11.435 196 HB3 LYS 25 HB3 LYS 25 -4.568 3.613 10.956 197 HG2 LYS 25 HG2 LYS 25 -2.643 4.115 9.919 198 HG3 LYS 25 HG3 LYS 25 -3.698 4.742 8.688 199 HD2 LYS 25 HD2 LYS 25 -2.313 6.469 8.801 200 HD3 LYS 25 HD3 LYS 25 -3.469 7.030 10.009 201 HE2 LYS 25 HE2 LYS 25 -1.994 6.592 11.793 202 HE3 LYS 25 HE3 LYS 25 -1.179 5.296 10.916 203 HZ1 LYS 25 HZ1 LYS 25 -0.881 8.141 10.262 204 HZ2 LYS 25 HZ2 LYS 25 -0.161 6.859 9.497 205 HZ3 LYS 25 HZ3 LYS 25 0.251 7.172 11.028 206 H ARG 26 HN ARG 26 -5.223 5.889 7.697 207 HA ARG 26 HA ARG 26 -5.699 8.647 8.493 208 HB2 ARG 26 HB2 ARG 26 -3.742 7.854 7.203 209 HB3 ARG 26 HB3 ARG 26 -4.788 7.529 5.811 210 HG2 ARG 26 HG2 ARG 26 -5.175 9.803 5.431 211 HG3 ARG 26 HG3 ARG 26 -4.810 10.264 7.109 212 HD2 ARG 26 HD2 ARG 26 -2.417 9.785 6.692 213 HD3 ARG 26 HD3 ARG 26 -2.833 9.238 5.052 214 HE ARG 26 HE ARG 26 -3.820 11.780 5.118 215 HH11 ARG 26 HH11 ARG 26 -0.549 10.449 5.700 216 HH12 ARG 26 HH12 ARG 26 0.235 11.910 5.143 217 HH21 ARG 26 HH21 ARG 26 -2.821 13.506 4.328 218 HH22 ARG 26 HH22 ARG 26 -1.095 13.728 4.316 219 H TYR 27 HN TYR 27 -8.003 6.516 7.781 220 HA TYR 27 HA TYR 27 -9.633 8.280 6.046 221 HB2 TYR 27 HB2 TYR 27 -9.026 5.370 5.523 222 HB3 TYR 27 HB3 TYR 27 -10.410 6.224 4.846 223 HD1 TYR 27 HD2 TYR 27 -6.690 6.150 4.955 224 HD2 TYR 27 HD1 TYR 27 -10.176 7.826 3.033 225 HE1 TYR 27 HE2 TYR 27 -5.266 7.090 3.243 226 HE2 TYR 27 HE1 TYR 27 -8.752 8.831 1.325 227 HH TYR 27 HH TYR 27 -6.577 9.075 0.540 228 HA PRO 28 HA PRO 28 -11.816 6.729 9.763 229 HB2 PRO 28 HB2 PRO 28 -12.927 9.122 10.518 230 HB3 PRO 28 HB3 PRO 28 -11.276 8.611 10.929 231 HG2 PRO 28 HG2 PRO 28 -12.135 10.589 8.843 232 HG3 PRO 28 HG3 PRO 28 -10.616 10.525 9.822 233 HD2 PRO 28 HD2 PRO 28 -10.869 9.713 7.182 234 HD3 PRO 28 HD3 PRO 28 -9.543 9.332 8.323 235 H LEU 29 HN LEU 29 -13.014 8.796 7.084 236 HA LEU 29 HA LEU 29 -15.786 8.247 7.553 237 HB2 LEU 29 HB2 LEU 29 -14.227 9.430 5.259 238 HB3 LEU 29 HB3 LEU 29 -15.890 8.931 5.029 239 HG LEU 29 HG LEU 29 -16.620 10.350 6.938 240 HD11 LEU 29 HD11 LEU 29 -13.753 11.402 6.814 241 HD12 LEU 29 HD12 LEU 29 -14.555 10.607 8.203 242 HD13 LEU 29 HD13 LEU 29 -15.107 12.182 7.660 243 HD21 LEU 29 HD21 LEU 29 -16.481 12.466 5.682 244 HD22 LEU 29 HD22 LEU 29 -16.819 11.112 4.603 245 HD23 LEU 29 HD23 LEU 29 -15.182 11.802 4.667 246 H ALA 30 HN ALA 30 -13.263 6.425 5.965 247 HA ALA 30 HA ALA 30 -15.229 4.738 4.500 248 HB1 ALA 30 HB1 ALA 30 -13.533 4.626 2.738 249 HB2 ALA 30 HB2 ALA 30 -13.868 6.326 3.095 250 HB3 ALA 30 HB3 ALA 30 -12.396 5.577 3.716 251 H GLN 31 HN GLN 31 -14.276 2.535 3.956 252 HA GLN 31 HA GLN 31 -12.366 1.543 6.062 253 HB2 GLN 31 HB2 GLN 31 -14.633 -0.011 4.781 254 HB3 GLN 31 HB3 GLN 31 -13.438 -0.653 5.904 255 HG2 GLN 31 HG2 GLN 31 -15.628 1.349 6.475 256 HG3 GLN 31 HG3 GLN 31 -15.479 -0.282 7.084 257 HE21 GLN 31 HE21 GLN 31 -14.803 2.966 7.704 258 HE22 GLN 31 HE22 GLN 31 -13.707 2.815 9.073 259 H VAL 32 HN VAL 32 -10.782 0.057 5.347 260 HA VAL 32 HA VAL 32 -10.134 0.165 2.494 261 HB VAL 32 HB VAL 32 -8.817 -0.893 5.035 262 HG11 VAL 32 HG11 VAL 32 -6.745 -1.344 3.669 263 HG12 VAL 32 HG12 VAL 32 -8.048 -2.501 3.384 264 HG13 VAL 32 HG13 VAL 32 -7.726 -1.218 2.211 265 HG21 VAL 32 HG21 VAL 32 -8.701 1.503 4.723 266 HG22 VAL 32 HG22 VAL 32 -7.110 0.731 4.604 267 HG23 VAL 32 HG23 VAL 32 -7.926 1.295 3.152 268 H LEU 33 HN LEU 33 -10.703 -1.674 1.085 269 HA LEU 33 HA LEU 33 -11.135 -4.298 2.342 270 HB2 LEU 33 HB2 LEU 33 -13.291 -4.377 0.818 271 HB3 LEU 33 HB3 LEU 33 -13.315 -3.962 2.483 272 HG LEU 33 HG LEU 33 -13.018 -1.621 0.643 273 HD11 LEU 33 HD11 LEU 33 -15.573 -3.289 0.663 274 HD12 LEU 33 HD12 LEU 33 -14.480 -3.033 -0.720 275 HD13 LEU 33 HD13 LEU 33 -15.366 -1.674 -0.051 276 HD21 LEU 33 HD21 LEU 33 -13.430 -1.623 3.193 277 HD22 LEU 33 HD22 LEU 33 -15.057 -2.216 2.853 278 HD23 LEU 33 HD23 LEU 33 -14.524 -0.637 2.247 279 H PHE 34 HN PHE 34 -8.929 -3.524 0.736 280 HA PHE 34 HA PHE 34 -9.215 -5.496 -1.367 281 HB2 PHE 34 HB2 PHE 34 -9.727 -2.787 -1.978 282 HB3 PHE 34 HB3 PHE 34 -8.075 -3.055 -2.522 283 HD1 PHE 34 HD2 PHE 34 -11.630 -4.022 -2.892 284 HD2 PHE 34 HD1 PHE 34 -7.636 -4.518 -4.467 285 HE1 PHE 34 HE2 PHE 34 -12.550 -5.196 -4.886 286 HE2 PHE 34 HE1 PHE 34 -8.573 -5.682 -6.456 287 HZ PHE 34 HZ PHE 34 -11.012 -6.042 -6.647 288 H LYS 35 HN LYS 35 -6.951 -5.624 -2.543 289 HA LYS 35 HA LYS 35 -4.626 -4.700 -1.017 290 HB2 LYS 35 HB2 LYS 35 -5.447 -6.590 0.322 291 HB3 LYS 35 HB3 LYS 35 -5.456 -7.606 -1.118 292 HG2 LYS 35 HG2 LYS 35 -2.951 -7.469 -1.198 293 HG3 LYS 35 HG3 LYS 35 -2.996 -6.427 0.247 294 HD2 LYS 35 HD2 LYS 35 -3.850 -8.139 1.613 295 HD3 LYS 35 HD3 LYS 35 -4.448 -9.067 0.240 296 HE2 LYS 35 HE2 LYS 35 -2.028 -9.425 -0.471 297 HE3 LYS 35 HE3 LYS 35 -1.553 -8.852 1.118 298 HZ1 LYS 35 HZ1 LYS 35 -1.868 -11.339 0.854 299 HZ2 LYS 35 HZ2 LYS 35 -3.488 -11.074 0.729 300 HZ3 LYS 35 HZ3 LYS 35 -2.723 -10.687 2.102 301 H GLN 36 HN GLN 36 -4.602 -3.709 -3.308 302 HA GLN 36 HA GLN 36 -3.827 -5.655 -5.399 303 HB2 GLN 36 HB2 GLN 36 -5.566 -3.662 -5.646 304 HB3 GLN 36 HB3 GLN 36 -4.096 -2.720 -5.929 305 HG2 GLN 36 HG2 GLN 36 -3.494 -4.530 -7.664 306 HG3 GLN 36 HG3 GLN 36 -5.140 -5.134 -7.468 307 HE21 GLN 36 HE21 GLN 36 -6.750 -2.744 -7.451 308 HE22 GLN 36 HE22 GLN 36 -6.469 -1.989 -8.992 309 H LYS 37 HN LYS 37 -1.785 -5.501 -6.422 310 HA LYS 37 HA LYS 37 0.363 -4.109 -4.932 311 HB2 LYS 37 HB2 LYS 37 0.238 -5.986 -7.321 312 HB3 LYS 37 HB3 LYS 37 1.707 -5.050 -7.022 313 HG2 LYS 37 HG2 LYS 37 2.015 -5.945 -4.827 314 HG3 LYS 37 HG3 LYS 37 0.445 -6.737 -4.840 315 HD2 LYS 37 HD2 LYS 37 2.842 -7.473 -6.558 316 HD3 LYS 37 HD3 LYS 37 2.216 -8.347 -5.146 317 HE2 LYS 37 HE2 LYS 37 -0.026 -8.475 -6.492 318 HE3 LYS 37 HE3 LYS 37 0.967 -8.072 -7.902 319 HZ1 LYS 37 HZ1 LYS 37 0.830 -10.400 -7.717 320 HZ2 LYS 37 HZ2 LYS 37 1.172 -10.398 -6.126 321 HZ3 LYS 37 HZ3 LYS 37 2.365 -10.014 -7.253 322 H VAL 38 HN VAL 38 1.904 -2.809 -6.236 323 HA VAL 38 HA VAL 38 0.918 -1.667 -8.658 324 HB VAL 38 HB VAL 38 1.632 0.641 -8.113 325 HG11 VAL 38 HG11 VAL 38 -0.362 1.285 -6.932 326 HG12 VAL 38 HG12 VAL 38 -0.759 -0.015 -8.063 327 HG13 VAL 38 HG13 VAL 38 -0.608 -0.359 -6.326 328 HG21 VAL 38 HG21 VAL 38 1.550 -0.239 -5.220 329 HG22 VAL 38 HG22 VAL 38 3.061 0.105 -6.111 330 HG23 VAL 38 HG23 VAL 38 1.872 1.387 -5.820 331 H TRP 39 HN TRP 39 3.113 -0.031 -9.188 332 HA TRP 39 HA TRP 39 5.087 -1.702 -10.125 333 HB2 TRP 39 HB2 TRP 39 4.606 0.672 -10.732 334 HB3 TRP 39 HB3 TRP 39 5.327 1.190 -9.224 335 HD1 TRP 39 HD1 TRP 39 6.527 -0.995 -12.212 336 HE1 TRP 39 HE1 TRP 39 8.790 -0.092 -13.039 337 HE3 TRP 39 HE3 TRP 39 7.321 2.661 -8.701 338 HZ2 TRP 39 HZ2 TRP 39 10.501 2.140 -12.501 339 HZ3 TRP 39 HZ3 TRP 39 9.358 4.076 -8.832 340 HH2 TRP 39 HH2 TRP 39 10.901 3.889 -10.763 341 H ASP 40 HN ASP 40 7.343 -1.955 -9.524 342 HA ASP 40 HA ASP 40 8.224 -1.243 -6.926 343 HB2 ASP 40 HB2 ASP 40 8.754 -3.341 -6.002 344 HB3 ASP 40 HB3 ASP 40 7.027 -3.359 -6.340 345 H ARG 41 HN ARG 41 10.365 -0.859 -7.051 346 HA ARG 41 HA ARG 41 12.061 -1.981 -9.137 347 HB2 ARG 41 HB2 ARG 41 10.514 -0.385 -10.297 348 HB3 ARG 41 HB3 ARG 41 11.117 0.924 -9.281 349 HG2 ARG 41 HG2 ARG 41 12.948 -0.787 -11.012 350 HG3 ARG 41 HG3 ARG 41 12.021 0.560 -11.676 351 HD2 ARG 41 HD2 ARG 41 13.039 2.145 -10.214 352 HD3 ARG 41 HD3 ARG 41 13.983 0.908 -9.370 353 HE ARG 41 HE ARG 41 14.505 2.226 -11.913 354 HH11 ARG 41 HH11 ARG 41 15.378 -0.754 -10.172 355 HH12 ARG 41 HH12 ARG 41 16.177 -1.471 -11.540 356 HH21 ARG 41 HH21 ARG 41 15.899 1.442 -13.536 357 HH22 ARG 41 HH22 ARG 41 16.766 -0.023 -13.318 358 H LYS 42 HN LYS 42 13.938 -2.204 -7.956 359 HA LYS 42 HA LYS 42 14.458 -0.371 -5.743 360 HB2 LYS 42 HB2 LYS 42 15.015 -2.873 -5.814 361 HB3 LYS 42 HB3 LYS 42 16.399 -2.445 -6.824 362 HG2 LYS 42 HG2 LYS 42 17.204 -0.941 -4.972 363 HG3 LYS 42 HG3 LYS 42 15.794 -1.460 -4.033 364 HD2 LYS 42 HD2 LYS 42 17.491 -2.725 -3.170 365 HD3 LYS 42 HD3 LYS 42 16.726 -3.845 -4.306 366 HE2 LYS 42 HE2 LYS 42 18.486 -3.401 -5.962 367 HE3 LYS 42 HE3 LYS 42 19.183 -2.115 -4.948 368 HZ1 LYS 42 HZ1 LYS 42 20.251 -4.392 -4.898 369 HZ2 LYS 42 HZ2 LYS 42 18.979 -4.911 -4.036 370 HZ3 LYS 42 HZ3 LYS 42 19.966 -3.720 -3.419 371 H ARG 43 HN ARG 43 16.291 0.910 -5.476 372 HA ARG 43 HA ARG 43 17.364 2.218 -7.935 373 HB2 ARG 43 HB2 ARG 43 17.152 3.254 -5.096 374 HB3 ARG 43 HB3 ARG 43 17.847 4.136 -6.451 375 HG2 ARG 43 HG2 ARG 43 14.922 3.358 -6.210 376 HG3 ARG 43 HG3 ARG 43 15.629 4.954 -5.949 377 HD2 ARG 43 HD2 ARG 43 16.495 4.855 -8.352 378 HD3 ARG 43 HD3 ARG 43 15.520 3.397 -8.566 379 HE ARG 43 HE ARG 43 13.548 4.614 -8.253 380 HH11 ARG 43 HH11 ARG 43 16.366 6.822 -8.248 381 HH12 ARG 43 HH12 ARG 43 15.424 8.229 -8.537 382 HH21 ARG 43 HH21 ARG 43 12.342 6.514 -8.507 383 HH22 ARG 43 HH22 ARG 43 13.074 8.014 -8.965 384 H LYS 44 HN LYS 44 19.614 3.391 -6.524 385 HA LYS 44 HA LYS 44 21.495 1.157 -6.453 386 HB2 LYS 44 HB2 LYS 44 21.689 4.146 -5.865 387 HB3 LYS 44 HB3 LYS 44 22.895 3.025 -5.240 388 HG2 LYS 44 HG2 LYS 44 23.861 3.738 -7.216 389 HG3 LYS 44 HG3 LYS 44 23.209 2.145 -7.579 390 HD2 LYS 44 HD2 LYS 44 21.132 3.914 -8.285 391 HD3 LYS 44 HD3 LYS 44 22.583 4.788 -8.750 392 HE2 LYS 44 HE2 LYS 44 21.804 1.970 -9.606 393 HE3 LYS 44 HE3 LYS 44 21.703 3.429 -10.605 394 HZ1 LYS 44 HZ1 LYS 44 24.129 3.591 -10.478 395 HZ2 LYS 44 HZ2 LYS 44 23.664 2.158 -11.113 396 HZ3 LYS 44 HZ3 LYS 44 24.222 2.235 -9.576 397 H ASP 45 HN ASP 45 20.474 3.532 -3.979 398 HA ASP 45 HA ASP 45 20.637 1.398 -1.888 399 HB2 ASP 45 HB2 ASP 45 21.784 4.225 -1.869 400 HB3 ASP 45 HB3 ASP 45 21.530 3.255 -0.413 401 H GLU 46 HN GLU 46 18.300 1.632 -2.950 402 HA GLU 46 HA GLU 46 16.617 2.707 -0.923 403 HB2 GLU 46 HB2 GLU 46 17.185 4.429 -3.207 404 HB3 GLU 46 HB3 GLU 46 15.506 3.850 -3.331 405 HG2 GLU 46 HG2 GLU 46 14.918 4.780 -1.256 406 HG3 GLU 46 HG3 GLU 46 16.599 5.033 -0.765 407 H ALA 47 HN ALA 47 14.455 1.811 -1.263 408 HA ALA 47 HA ALA 47 14.045 0.070 -3.608 409 HB1 ALA 47 HB1 ALA 47 15.113 -1.329 -1.887 410 HB2 ALA 47 HB2 ALA 47 13.934 -0.775 -0.703 411 HB3 ALA 47 HB3 ALA 47 13.402 -1.759 -2.108 412 H VAL 48 HN VAL 48 11.896 -0.329 -4.054 413 HA VAL 48 HA VAL 48 9.881 1.262 -2.620 414 HB VAL 48 HB VAL 48 10.525 1.470 -5.606 415 HG11 VAL 48 HG11 VAL 48 8.692 3.166 -5.637 416 HG12 VAL 48 HG12 VAL 48 8.099 1.547 -5.257 417 HG13 VAL 48 HG13 VAL 48 8.311 2.740 -3.956 418 HG21 VAL 48 HG21 VAL 48 10.747 3.527 -3.358 419 HG22 VAL 48 HG22 VAL 48 12.080 2.868 -4.321 420 HG23 VAL 48 HG23 VAL 48 10.881 3.903 -5.080 421 H LYS 49 HN LYS 49 8.301 -0.038 -2.174 422 HA LYS 49 HA LYS 49 7.152 -1.955 -4.021 423 HB2 LYS 49 HB2 LYS 49 8.262 -2.685 -1.249 424 HB3 LYS 49 HB3 LYS 49 6.978 -3.600 -2.054 425 HG2 LYS 49 HG2 LYS 49 8.431 -4.143 -3.945 426 HG3 LYS 49 HG3 LYS 49 9.723 -3.121 -3.271 427 HD2 LYS 49 HD2 LYS 49 10.323 -5.321 -2.837 428 HD3 LYS 49 HD3 LYS 49 9.861 -4.615 -1.292 429 HE2 LYS 49 HE2 LYS 49 8.062 -5.959 -1.028 430 HE3 LYS 49 HE3 LYS 49 7.625 -5.936 -2.761 431 HZ1 LYS 49 HZ1 LYS 49 8.269 -8.117 -2.306 432 HZ2 LYS 49 HZ2 LYS 49 9.609 -7.698 -1.478 433 HZ3 LYS 49 HZ3 LYS 49 9.553 -7.495 -3.105 434 H GLN 50 HN GLN 50 5.031 -1.360 -3.891 435 HA GLN 50 HA GLN 50 3.916 -0.128 -1.451 436 HB2 GLN 50 HB2 GLN 50 4.199 1.160 -4.202 437 HB3 GLN 50 HB3 GLN 50 2.918 1.638 -3.084 438 HG2 GLN 50 HG2 GLN 50 4.517 2.380 -1.427 439 HG3 GLN 50 HG3 GLN 50 5.870 1.721 -2.342 440 HE21 GLN 50 HE21 GLN 50 3.093 3.914 -3.129 441 HE22 GLN 50 HE22 GLN 50 4.068 5.129 -3.897 442 H TYR 51 HN TYR 51 1.435 0.271 -1.990 443 HA TYR 51 HA TYR 51 0.345 -1.900 -3.635 444 HB2 TYR 51 HB2 TYR 51 -0.277 -1.533 -0.673 445 HB3 TYR 51 HB3 TYR 51 -1.005 -2.713 -1.742 446 HD1 TYR 51 HD2 TYR 51 0.394 -4.619 -2.666 447 HD2 TYR 51 HD1 TYR 51 1.933 -1.868 0.271 448 HE1 TYR 51 HE2 TYR 51 2.438 -6.015 -2.431 449 HE2 TYR 51 HE1 TYR 51 3.953 -3.234 0.520 450 HH TYR 51 HH TYR 51 4.826 -5.607 -1.804 451 H HIS 52 HN HIS 52 -2.008 -1.605 -3.840 452 HA HIS 52 HA HIS 52 -2.970 1.173 -3.524 453 HB2 HIS 52 HB2 HIS 52 -2.526 1.008 -5.856 454 HB3 HIS 52 HB3 HIS 52 -3.080 -0.660 -5.946 455 HD1 HIS 52 HD1 HIS 52 -5.441 -0.814 -7.082 456 HD2 HIS 52 HD2 HIS 52 -4.668 2.836 -5.117 457 HE1 HIS 52 HE1 HIS 52 -7.525 0.631 -7.353 458 H LEU 53 HN LEU 53 -4.878 1.121 -2.320 459 HA LEU 53 HA LEU 53 -6.318 -1.468 -2.087 460 HB2 LEU 53 HB2 LEU 53 -6.008 0.653 0.048 461 HB3 LEU 53 HB3 LEU 53 -6.630 -0.982 0.201 462 HG LEU 53 HG LEU 53 -4.644 -0.714 1.361 463 HD11 LEU 53 HD11 LEU 53 -4.898 -2.925 0.446 464 HD12 LEU 53 HD12 LEU 53 -3.184 -2.523 0.490 465 HD13 LEU 53 HD13 LEU 53 -4.067 -2.456 -1.049 466 HD21 LEU 53 HD21 LEU 53 -3.654 1.134 0.017 467 HD22 LEU 53 HD22 LEU 53 -2.891 -0.121 -0.984 468 HD23 LEU 53 HD23 LEU 53 -2.553 -0.046 0.750 469 H THR 54 HN THR 54 -8.538 -1.205 -2.654 470 HA THR 54 HA THR 54 -9.613 1.448 -3.197 471 HB THR 54 HB THR 54 -10.772 -1.333 -3.158 472 HG1 THR 54 HG1 THR 54 -10.494 0.378 -5.385 473 HG21 THR 54 HG21 THR 54 -12.763 -0.559 -4.273 474 HG22 THR 54 HG22 THR 54 -12.236 1.139 -4.124 475 HG23 THR 54 HG23 THR 54 -12.635 0.166 -2.690 476 H LEU 55 HN LEU 55 -10.363 2.692 -1.672 477 HA LEU 55 HA LEU 55 -11.360 1.693 0.971 478 HB2 LEU 55 HB2 LEU 55 -11.124 4.480 -0.187 479 HB3 LEU 55 HB3 LEU 55 -12.202 4.174 1.093 480 HG LEU 55 HG LEU 55 -10.462 5.177 2.083 481 HD11 LEU 55 HD11 LEU 55 -9.589 3.788 3.739 482 HD12 LEU 55 HD12 LEU 55 -10.022 2.339 2.795 483 HD13 LEU 55 HD13 LEU 55 -11.300 3.413 3.427 484 HD21 LEU 55 HD21 LEU 55 -8.519 3.265 0.830 485 HD22 LEU 55 HD22 LEU 55 -8.114 4.447 2.102 486 HD23 LEU 55 HD23 LEU 55 -8.691 5.010 0.543 487 H ARG 56 HN ARG 56 -13.589 2.148 1.583 488 HA ARG 56 HA ARG 56 -15.477 2.981 -0.563 489 HB2 ARG 56 HB2 ARG 56 -15.540 0.517 -0.273 490 HB3 ARG 56 HB3 ARG 56 -15.911 0.746 1.448 491 HG2 ARG 56 HG2 ARG 56 -18.063 1.801 0.875 492 HG3 ARG 56 HG3 ARG 56 -17.711 1.589 -0.856 493 HD2 ARG 56 HD2 ARG 56 -17.430 -0.871 -0.460 494 HD3 ARG 56 HD3 ARG 56 -17.843 -0.630 1.240 495 HE ARG 56 HE ARG 56 -20.060 -0.124 0.677 496 HH11 ARG 56 HH11 ARG 56 -18.190 -1.013 -2.291 497 HH12 ARG 56 HH12 ARG 56 -19.530 -1.800 -3.004 498 HH21 ARG 56 HH21 ARG 56 -21.852 -1.048 -0.432 499 HH22 ARG 56 HH22 ARG 56 -21.672 -1.583 -2.077 500 H GLU 57 HN GLU 57 -16.799 4.597 0.171 501 HA GLU 57 HA GLU 57 -17.116 5.098 3.098 502 HB2 GLU 57 HB2 GLU 57 -15.760 6.908 2.189 503 HB3 GLU 57 HB3 GLU 57 -16.848 7.162 0.841 504 HG2 GLU 57 HG2 GLU 57 -17.888 7.378 3.688 505 HG3 GLU 57 HG3 GLU 57 -16.915 8.666 3.010 506 H GLY 58 HN GLY 58 -19.144 4.150 3.308 507 HA2 GLY 58 HA1 GLY 58 -21.312 3.595 2.973 508 HA3 GLY 58 HA2 GLY 58 -21.473 5.274 2.445 509 H SER 59 HN SER 59 -21.630 5.727 0.254 510 HA SER 59 HA SER 59 -22.303 3.392 -1.472 511 HB2 SER 59 HB2 SER 59 -24.003 4.904 -2.457 512 HB3 SER 59 HB3 SER 59 -24.235 4.550 -0.745 513 HG SER 59 HG SER 59 -23.216 6.611 -0.307 514 H LYS 60 HN LYS 60 -19.646 4.893 -1.165 515 HA LYS 60 HA LYS 60 -19.168 5.288 -4.059 516 HB2 LYS 60 HB2 LYS 60 -19.241 7.514 -3.164 517 HB3 LYS 60 HB3 LYS 60 -18.381 7.017 -1.701 518 HG2 LYS 60 HG2 LYS 60 -16.305 6.733 -2.883 519 HG3 LYS 60 HG3 LYS 60 -17.084 7.010 -4.431 520 HD2 LYS 60 HD2 LYS 60 -15.822 8.946 -3.753 521 HD3 LYS 60 HD3 LYS 60 -17.533 9.363 -3.780 522 HE2 LYS 60 HE2 LYS 60 -16.524 8.351 -1.157 523 HE3 LYS 60 HE3 LYS 60 -15.740 9.848 -1.697 524 HZ1 LYS 60 HZ1 LYS 60 -17.607 11.016 -1.401 525 HZ2 LYS 60 HZ2 LYS 60 -18.015 9.817 -0.346 526 HZ3 LYS 60 HZ3 LYS 60 -18.627 9.844 -1.876 527 H GLU 61 HN GLU 61 -17.210 4.490 -4.705 528 HA GLU 61 HA GLU 61 -15.280 3.456 -2.711 529 HB2 GLU 61 HB2 GLU 61 -16.236 2.115 -5.248 530 HB3 GLU 61 HB3 GLU 61 -14.572 1.876 -4.682 531 HG2 GLU 61 HG2 GLU 61 -15.378 1.121 -2.495 532 HG3 GLU 61 HG3 GLU 61 -17.043 1.373 -3.008 533 H PHE 62 HN PHE 62 -13.097 3.592 -3.487 534 HA PHE 62 HA PHE 62 -12.360 5.185 -5.763 535 HB2 PHE 62 HB2 PHE 62 -11.385 7.076 -4.464 536 HB3 PHE 62 HB3 PHE 62 -13.125 7.063 -4.441 537 HD1 PHE 62 HD1 PHE 62 -14.307 6.090 -2.333 538 HD2 PHE 62 HD2 PHE 62 -10.165 7.265 -2.437 539 HE1 PHE 62 HE1 PHE 62 -14.344 6.330 0.108 540 HE2 PHE 62 HE2 PHE 62 -10.175 7.469 0.033 541 HZ PHE 62 HZ PHE 62 -12.255 7.001 1.327 542 H GLY 63 HN GLY 63 -9.848 5.575 -5.586 543 HA2 GLY 63 HA1 GLY 63 -8.639 3.209 -4.197 544 HA3 GLY 63 HA2 GLY 63 -8.158 3.831 -5.751 545 H VAL 64 HN VAL 64 -6.718 3.434 -3.118 546 HA VAL 64 HA VAL 64 -5.383 6.115 -3.139 547 HB VAL 64 HB VAL 64 -4.676 5.581 -0.786 548 HG11 VAL 64 HG11 VAL 64 -6.909 6.342 0.190 549 HG12 VAL 64 HG12 VAL 64 -6.168 7.341 -1.045 550 HG13 VAL 64 HG13 VAL 64 -7.535 6.295 -1.468 551 HG21 VAL 64 HG21 VAL 64 -6.129 4.176 0.606 552 HG22 VAL 64 HG22 VAL 64 -7.054 3.721 -0.822 553 HG23 VAL 64 HG23 VAL 64 -5.369 3.191 -0.658 554 H PHE 65 HN PHE 65 -3.326 6.213 -3.366 555 HA PHE 65 HA PHE 65 -1.800 3.680 -3.806 556 HB2 PHE 65 HB2 PHE 65 -1.351 6.486 -4.893 557 HB3 PHE 65 HB3 PHE 65 -0.322 5.106 -5.195 558 HD1 PHE 65 HD1 PHE 65 -1.359 3.053 -6.328 559 HD2 PHE 65 HD2 PHE 65 -3.358 6.852 -6.170 560 HE1 PHE 65 HE1 PHE 65 -2.876 2.323 -8.183 561 HE2 PHE 65 HE2 PHE 65 -4.870 6.116 -8.003 562 HZ PHE 65 HZ PHE 65 -4.648 3.868 -8.997 563 H VAL 66 HN VAL 66 -1.160 3.253 -1.705 564 HA VAL 66 HA VAL 66 -0.181 5.296 0.095 565 HB VAL 66 HB VAL 66 0.122 2.248 0.182 566 HG11 VAL 66 HG11 VAL 66 0.589 4.466 2.174 567 HG12 VAL 66 HG12 VAL 66 0.072 2.894 2.751 568 HG13 VAL 66 HG13 VAL 66 1.588 3.035 1.834 569 HG21 VAL 66 HG21 VAL 66 -2.054 3.961 1.457 570 HG22 VAL 66 HG22 VAL 66 -2.284 2.928 0.038 571 HG23 VAL 66 HG23 VAL 66 -1.859 2.210 1.591 572 H THR 67 HN THR 67 1.983 5.779 0.722 573 HA THR 67 HA THR 67 4.050 4.823 -1.143 574 HB THR 67 HB THR 67 4.201 7.422 0.347 575 HG1 THR 67 HG1 THR 67 3.216 8.488 -1.285 576 HG21 THR 67 HG21 THR 67 5.608 8.029 -1.578 577 HG22 THR 67 HG22 THR 67 5.182 6.535 -2.433 578 HG23 THR 67 HG23 THR 67 6.164 6.482 -0.955 579 H ILE 68 HN ILE 68 5.785 3.869 -0.306 580 HA ILE 68 HA ILE 68 6.636 4.327 2.444 581 HB ILE 68 HB ILE 68 6.282 1.538 1.238 582 HG12 ILE 68 HG12 ILE 68 4.921 2.721 3.704 583 HG13 ILE 68 HG13 ILE 68 4.140 2.509 2.138 584 HG21 ILE 68 HG21 ILE 68 8.388 1.824 2.560 585 HG22 ILE 68 HG22 ILE 68 7.427 2.383 3.945 586 HG23 ILE 68 HG23 ILE 68 7.270 0.720 3.336 587 HD11 ILE 68 HD11 ILE 68 5.142 0.259 3.908 588 HD12 ILE 68 HD12 ILE 68 3.469 0.711 3.547 589 HD13 ILE 68 HD13 ILE 68 4.491 0.075 2.256 590 H SER 69 HN SER 69 8.738 4.940 2.133 591 HA SER 69 HA SER 69 10.213 4.029 -0.310 592 HB2 SER 69 HB2 SER 69 10.734 6.613 1.210 593 HB3 SER 69 HB3 SER 69 11.353 6.117 -0.371 594 HG SER 69 HG SER 69 9.092 6.180 -1.093 595 H PHE 70 HN PHE 70 11.918 2.654 0.340 596 HA PHE 70 HA PHE 70 12.848 2.952 3.127 597 HB2 PHE 70 HB2 PHE 70 12.553 0.676 3.658 598 HB3 PHE 70 HB3 PHE 70 11.009 1.305 3.215 599 HD1 PHE 70 HD2 PHE 70 10.274 0.775 0.641 600 HD2 PHE 70 HD1 PHE 70 13.493 -1.217 2.672 601 HE1 PHE 70 HE2 PHE 70 10.189 -1.079 -1.009 602 HE2 PHE 70 HE1 PHE 70 13.274 -3.170 1.134 603 HZ PHE 70 HZ PHE 70 11.600 -3.094 -0.709 604 H ASP 71 HN ASP 71 14.658 1.508 3.514 605 HA ASP 71 HA ASP 71 16.634 1.898 1.376 606 HB2 ASP 71 HB2 ASP 71 16.725 2.979 3.654 607 HB3 ASP 71 HB3 ASP 71 16.865 1.357 4.338 608 HA PRO 72 HA PRO 72 16.863 -2.519 1.053 609 HB2 PRO 72 HB2 PRO 72 19.200 -2.917 -0.302 610 HB3 PRO 72 HB3 PRO 72 17.723 -2.216 -1.022 611 HG2 PRO 72 HG2 PRO 72 20.128 -0.739 0.065 612 HG3 PRO 72 HG3 PRO 72 19.298 -0.499 -1.509 613 HD2 PRO 72 HD2 PRO 72 18.761 1.065 0.664 614 HD3 PRO 72 HD3 PRO 72 17.470 0.570 -0.470 615 H TYR 73 HN TYR 73 19.398 -0.713 2.784 616 HA TYR 73 HA TYR 73 21.167 -2.812 3.258 617 HB2 TYR 73 HB2 TYR 73 20.642 -0.352 4.983 618 HB3 TYR 73 HB3 TYR 73 21.864 -1.524 5.347 619 HD1 TYR 73 HD1 TYR 73 21.052 -0.003 1.958 620 HD2 TYR 73 HD2 TYR 73 23.848 -0.353 5.228 621 HE1 TYR 73 HE1 TYR 73 22.761 1.117 0.610 622 HE2 TYR 73 HE2 TYR 73 25.553 0.857 3.879 623 HH TYR 73 HH TYR 73 25.952 1.992 1.887 624 H SER 74 HN SER 74 18.428 -1.745 5.196 625 HA SER 74 HA SER 74 18.137 -4.375 6.418 626 HB2 SER 74 HB2 SER 74 19.984 -2.949 7.702 627 HB3 SER 74 HB3 SER 74 18.576 -2.194 8.456 628 HG SER 74 HG SER 74 19.714 -4.258 9.265 629 H GLN 75 HN GLN 75 16.522 -2.531 4.723 630 HA GLN 75 HA GLN 75 14.470 -1.509 4.629 631 HB2 GLN 75 HB2 GLN 75 14.035 -3.816 6.532 632 HB3 GLN 75 HB3 GLN 75 12.723 -2.761 6.080 633 HG2 GLN 75 HG2 GLN 75 12.754 -4.778 4.706 634 HG3 GLN 75 HG3 GLN 75 12.932 -3.336 3.744 635 HE21 GLN 75 HE21 GLN 75 15.147 -2.737 2.814 636 HE22 GLN 75 HE22 GLN 75 15.992 -4.162 2.283 637 H LYS 76 HN LYS 76 16.061 0.188 5.670 638 HA LYS 76 HA LYS 76 14.912 1.296 8.136 639 HB2 LYS 76 HB2 LYS 76 17.290 1.907 6.424 640 HB3 LYS 76 HB3 LYS 76 16.412 3.287 7.056 641 HG2 LYS 76 HG2 LYS 76 18.189 2.702 8.602 642 HG3 LYS 76 HG3 LYS 76 16.615 2.420 9.351 643 HD2 LYS 76 HD2 LYS 76 16.878 -0.043 8.715 644 HD3 LYS 76 HD3 LYS 76 18.564 0.320 8.290 645 HE2 LYS 76 HE2 LYS 76 17.340 1.051 11.000 646 HE3 LYS 76 HE3 LYS 76 17.927 -0.582 10.662 647 HZ1 LYS 76 HZ1 LYS 76 19.624 1.841 10.604 648 HZ2 LYS 76 HZ2 LYS 76 20.093 0.290 10.235 649 HZ3 LYS 76 HZ3 LYS 76 19.584 0.644 11.738 650 H VAL 77 HN VAL 77 13.044 2.270 7.972 651 HA VAL 77 HA VAL 77 11.725 2.881 5.441 652 HB VAL 77 HB VAL 77 11.102 3.515 8.339 653 HG11 VAL 77 HG11 VAL 77 8.852 4.098 7.619 654 HG12 VAL 77 HG12 VAL 77 10.006 5.167 6.842 655 HG13 VAL 77 HG13 VAL 77 9.302 3.827 5.908 656 HG21 VAL 77 HG21 VAL 77 10.995 1.107 7.855 657 HG22 VAL 77 HG22 VAL 77 9.391 1.770 8.170 658 HG23 VAL 77 HG23 VAL 77 9.901 1.460 6.487 659 H ASN 78 HN ASN 78 12.284 4.625 4.290 660 HA ASN 78 HA ASN 78 13.910 6.775 5.520 661 HB2 ASN 78 HB2 ASN 78 13.136 6.211 2.630 662 HB3 ASN 78 HB3 ASN 78 14.173 7.524 3.187 663 HD21 ASN 78 HD21 ASN 78 14.740 5.011 1.439 664 HD22 ASN 78 HD22 ASN 78 16.082 4.257 2.306 665 H LYS 79 HN LYS 79 10.831 6.255 3.724 666 HA LYS 79 HA LYS 79 9.643 8.435 5.272 667 HB2 LYS 79 HB2 LYS 79 9.697 8.455 2.220 668 HB3 LYS 79 HB3 LYS 79 8.480 9.318 3.166 669 HG2 LYS 79 HG2 LYS 79 10.365 10.562 4.317 670 HG3 LYS 79 HG3 LYS 79 11.467 9.854 3.128 671 HD2 LYS 79 HD2 LYS 79 10.042 10.786 1.306 672 HD3 LYS 79 HD3 LYS 79 9.025 11.590 2.514 673 HE2 LYS 79 HE2 LYS 79 10.770 13.046 3.207 674 HE3 LYS 79 HE3 LYS 79 12.018 12.031 2.461 675 HZ1 LYS 79 HZ1 LYS 79 11.182 12.601 0.311 676 HZ2 LYS 79 HZ2 LYS 79 11.583 13.983 1.082 677 HZ3 LYS 79 HZ3 LYS 79 9.993 13.536 0.913 678 H ILE 80 HN ILE 80 7.326 8.372 5.180 679 HA ILE 80 HA ILE 80 5.982 6.247 3.688 680 HB ILE 80 HB ILE 80 5.751 6.774 6.695 681 HG12 ILE 80 HG12 ILE 80 6.200 4.244 5.027 682 HG13 ILE 80 HG13 ILE 80 7.401 5.112 5.974 683 HG21 ILE 80 HG21 ILE 80 3.752 5.391 6.783 684 HG22 ILE 80 HG22 ILE 80 3.455 6.721 5.696 685 HG23 ILE 80 HG23 ILE 80 3.840 5.110 5.029 686 HD11 ILE 80 HD11 ILE 80 6.151 4.627 8.045 687 HD12 ILE 80 HD12 ILE 80 5.044 3.595 7.096 688 HD13 ILE 80 HD13 ILE 80 6.750 3.169 7.201 689 H ALA 81 HN ALA 81 4.176 7.162 2.700 690 HA ALA 81 HA ALA 81 2.920 9.568 3.738 691 HB1 ALA 81 HB1 ALA 81 4.764 10.534 2.346 692 HB2 ALA 81 HB2 ALA 81 4.150 9.615 0.955 693 HB3 ALA 81 HB3 ALA 81 3.163 10.892 1.686 694 H ILE 82 HN ILE 82 1.046 10.133 1.919 695 HA ILE 82 HA ILE 82 -0.172 7.570 1.053 696 HB ILE 82 HB ILE 82 -1.198 9.660 2.989 697 HG12 ILE 82 HG12 ILE 82 0.007 7.587 3.770 698 HG13 ILE 82 HG13 ILE 82 -1.536 7.840 4.477 699 HG21 ILE 82 HG21 ILE 82 -2.963 7.791 1.380 700 HG22 ILE 82 HG22 ILE 82 -3.453 8.589 2.889 701 HG23 ILE 82 HG23 ILE 82 -3.033 9.558 1.475 702 HD11 ILE 82 HD11 ILE 82 -2.534 6.029 3.513 703 HD12 ILE 82 HD12 ILE 82 -1.417 6.024 2.109 704 HD13 ILE 82 HD13 ILE 82 -0.891 5.440 3.685 705 H LEU 83 HN LEU 83 -1.727 7.910 -0.754 706 HA LEU 83 HA LEU 83 -2.031 10.630 -1.775 707 HB2 LEU 83 HB2 LEU 83 -0.165 9.171 -2.996 708 HB3 LEU 83 HB3 LEU 83 -1.537 8.211 -3.493 709 HG LEU 83 HG LEU 83 -2.539 10.562 -4.269 710 HD11 LEU 83 HD11 LEU 83 0.452 11.100 -4.316 711 HD12 LEU 83 HD12 LEU 83 -0.735 11.927 -3.291 712 HD13 LEU 83 HD13 LEU 83 -0.810 12.098 -5.061 713 HD21 LEU 83 HD21 LEU 83 -0.446 8.890 -5.632 714 HD22 LEU 83 HD22 LEU 83 -1.423 10.125 -6.473 715 HD23 LEU 83 HD23 LEU 83 -2.222 8.743 -5.673 716 H GLU 84 HN GLU 84 -4.083 10.694 -3.030 717 HA GLU 84 HA GLU 84 -5.754 8.279 -2.925 718 HB2 GLU 84 HB2 GLU 84 -6.261 10.083 -1.048 719 HB3 GLU 84 HB3 GLU 84 -6.774 11.082 -2.392 720 HG2 GLU 84 HG2 GLU 84 -8.327 8.879 -2.877 721 HG3 GLU 84 HG3 GLU 84 -8.026 8.633 -1.175 722 H GLU 85 HN GLU 85 -7.292 8.202 -4.628 723 HA GLU 85 HA GLU 85 -6.869 10.146 -6.850 724 HB2 GLU 85 HB2 GLU 85 -6.012 7.932 -7.328 725 HB3 GLU 85 HB3 GLU 85 -7.533 7.168 -6.847 726 HG2 GLU 85 HG2 GLU 85 -8.714 8.168 -8.713 727 HG3 GLU 85 HG3 GLU 85 -7.295 9.157 -9.142 728 H TYR 86 HN TYR 86 -8.634 11.198 -7.548 729 HA TYR 86 HA TYR 86 -11.342 10.337 -6.813 730 HB2 TYR 86 HB2 TYR 86 -11.901 12.701 -6.292 731 HB3 TYR 86 HB3 TYR 86 -10.744 12.029 -5.159 732 HD1 TYR 86 HD1 TYR 86 -11.143 14.329 -8.076 733 HD2 TYR 86 HD2 TYR 86 -8.513 12.949 -4.937 734 HE1 TYR 86 HE1 TYR 86 -9.574 16.163 -8.594 735 HE2 TYR 86 HE2 TYR 86 -6.936 14.788 -5.451 736 HH TYR 86 HH TYR 86 -6.382 16.290 -7.521 737 H GLN 87 HN GLN 87 -12.809 12.061 -8.214 738 HA GLN 87 HA GLN 87 -11.664 12.374 -10.907 739 HB2 GLN 87 HB2 GLN 87 -14.317 10.952 -10.417 740 HB3 GLN 87 HB3 GLN 87 -13.539 11.276 -11.952 741 HG2 GLN 87 HG2 GLN 87 -13.046 9.063 -11.723 742 HG3 GLN 87 HG3 GLN 87 -11.585 9.771 -11.052 743 HE21 GLN 87 HE21 GLN 87 -11.655 7.282 -10.212 744 HE22 GLN 87 HE22 GLN 87 -12.546 7.063 -8.731 Start of MODEL 16 1 H1 GLY 1 HN GLY 1 -17.830 -7.883 0.854 2 HA2 GLY 1 HA1 GLY 1 -19.885 -10.017 0.768 3 HA3 GLY 1 HA2 GLY 1 -18.942 -9.448 -0.621 4 H GLU 2 HN GLU 2 -16.929 -10.400 -1.008 5 HA GLU 2 HA GLU 2 -15.879 -12.539 0.695 6 HB2 GLU 2 HB2 GLU 2 -14.824 -10.975 -1.687 7 HB3 GLU 2 HB3 GLU 2 -13.864 -12.208 -0.869 8 HG2 GLU 2 HG2 GLU 2 -15.321 -13.969 -1.478 9 HG3 GLU 2 HG3 GLU 2 -16.629 -12.865 -1.924 10 H GLU 3 HN GLU 3 -13.596 -12.295 1.549 11 HA GLU 3 HA GLU 3 -12.935 -9.706 2.805 12 HB2 GLU 3 HB2 GLU 3 -11.433 -12.294 2.362 13 HB3 GLU 3 HB3 GLU 3 -10.693 -10.855 3.081 14 HG2 GLU 3 HG2 GLU 3 -12.309 -10.965 4.949 15 HG3 GLU 3 HG3 GLU 3 -13.011 -12.441 4.242 16 H THR 4 HN THR 4 -10.791 -11.615 0.698 17 HA THR 4 HA THR 4 -10.720 -9.533 -1.358 18 HB THR 4 HB THR 4 -8.039 -10.056 -0.956 19 HG1 THR 4 HG1 THR 4 -8.711 -11.022 1.165 20 HG21 THR 4 HG21 THR 4 -9.141 -7.856 -1.375 21 HG22 THR 4 HG22 THR 4 -7.901 -7.753 -0.139 22 HG23 THR 4 HG23 THR 4 -9.605 -7.787 0.341 23 HA PRO 5 HA PRO 5 -10.797 -12.910 -3.852 24 HB2 PRO 5 HB2 PRO 5 -9.919 -12.039 -6.238 25 HB3 PRO 5 HB3 PRO 5 -11.239 -11.216 -5.388 26 HG2 PRO 5 HG2 PRO 5 -8.301 -10.433 -5.336 27 HG3 PRO 5 HG3 PRO 5 -9.716 -9.397 -5.732 28 HD2 PRO 5 HD2 PRO 5 -8.691 -9.468 -3.220 29 HD3 PRO 5 HD3 PRO 5 -10.455 -9.359 -3.513 30 H LEU 6 HN LEU 6 -7.880 -12.446 -2.515 31 HA LEU 6 HA LEU 6 -6.100 -13.967 -4.275 32 HB2 LEU 6 HB2 LEU 6 -5.827 -13.080 -1.357 33 HB3 LEU 6 HB3 LEU 6 -4.647 -13.999 -2.275 34 HG LEU 6 HG LEU 6 -4.776 -11.979 -3.986 35 HD11 LEU 6 HD11 LEU 6 -6.546 -10.656 -2.982 36 HD12 LEU 6 HD12 LEU 6 -5.031 -9.801 -2.689 37 HD13 LEU 6 HD13 LEU 6 -5.768 -10.731 -1.381 38 HD21 LEU 6 HD21 LEU 6 -2.891 -10.954 -2.789 39 HD22 LEU 6 HD22 LEU 6 -2.812 -12.729 -2.724 40 HD23 LEU 6 HD23 LEU 6 -3.354 -11.808 -1.303 41 H VAL 7 HN VAL 7 -6.980 -15.995 -4.629 42 HA VAL 7 HA VAL 7 -8.061 -17.567 -2.454 43 HB VAL 7 HB VAL 7 -8.623 -17.688 -4.941 44 HG11 VAL 7 HG11 VAL 7 -6.245 -17.948 -5.754 45 HG12 VAL 7 HG12 VAL 7 -6.248 -19.586 -5.082 46 HG13 VAL 7 HG13 VAL 7 -7.377 -19.163 -6.375 47 HG21 VAL 7 HG21 VAL 7 -8.091 -20.334 -3.541 48 HG22 VAL 7 HG22 VAL 7 -9.477 -19.263 -3.234 49 HG23 VAL 7 HG23 VAL 7 -9.272 -20.001 -4.819 50 H THR 8 HN THR 8 -4.834 -16.717 -3.170 51 HA THR 8 HA THR 8 -3.617 -19.239 -2.357 52 HB THR 8 HB THR 8 -2.524 -17.246 -3.716 53 HG1 THR 8 HG1 THR 8 -1.444 -19.176 -2.829 54 HG21 THR 8 HG21 THR 8 -1.263 -15.646 -2.331 55 HG22 THR 8 HG22 THR 8 -1.896 -16.401 -0.846 56 HG23 THR 8 HG23 THR 8 -2.990 -15.525 -1.919 57 H ALA 9 HN ALA 9 -2.579 -19.547 -0.257 58 HA ALA 9 HA ALA 9 -2.837 -17.393 1.701 59 HB1 ALA 9 HB1 ALA 9 -4.088 -20.119 2.113 60 HB2 ALA 9 HB2 ALA 9 -3.766 -18.931 3.394 61 HB3 ALA 9 HB3 ALA 9 -4.881 -18.520 2.061 62 H ARG 10 HN ARG 10 -0.640 -17.274 1.363 63 HA ARG 10 HA ARG 10 0.991 -19.249 2.825 64 HB2 ARG 10 HB2 ARG 10 1.065 -19.024 -0.012 65 HB3 ARG 10 HB3 ARG 10 2.385 -18.019 0.530 66 HG2 ARG 10 HG2 ARG 10 3.351 -20.055 0.175 67 HG3 ARG 10 HG3 ARG 10 3.167 -20.077 1.920 68 HD2 ARG 10 HD2 ARG 10 1.246 -21.420 -0.046 69 HD3 ARG 10 HD3 ARG 10 2.660 -22.224 0.627 70 HE ARG 10 HE ARG 10 1.292 -21.300 2.845 71 HH11 ARG 10 HH11 ARG 10 0.784 -23.726 0.299 72 HH12 ARG 10 HH12 ARG 10 -0.540 -24.494 1.079 73 HH21 ARG 10 HH21 ARG 10 -0.437 -22.309 3.896 74 HH22 ARG 10 HH22 ARG 10 -1.383 -23.533 3.120 75 H HIS 11 HN HIS 11 3.361 -17.807 2.948 76 HA HIS 11 HA HIS 11 2.884 -15.725 4.616 77 HB2 HIS 11 HB2 HIS 11 5.191 -15.043 4.339 78 HB3 HIS 11 HB3 HIS 11 5.029 -16.783 4.438 79 HD1 HIS 11 HD1 HIS 11 7.647 -16.478 3.230 80 HD2 HIS 11 HD2 HIS 11 4.140 -15.883 0.983 81 HE1 HIS 11 HE1 HIS 11 8.357 -16.473 0.824 82 H MET 12 HN MET 12 3.563 -13.375 4.431 83 HA MET 12 HA MET 12 2.748 -12.121 1.873 84 HB2 MET 12 HB2 MET 12 1.842 -11.409 4.683 85 HB3 MET 12 HB3 MET 12 1.944 -10.195 3.409 86 HG2 MET 12 HG2 MET 12 0.479 -11.515 1.967 87 HG3 MET 12 HG3 MET 12 0.364 -12.753 3.212 88 HE1 MET 12 HE1 MET 12 -0.660 -8.496 3.936 89 HE2 MET 12 HE2 MET 12 -0.271 -9.053 2.281 90 HE3 MET 12 HE3 MET 12 -1.956 -8.838 2.793 91 H SER 13 HN SER 13 3.642 -9.643 2.209 92 HA SER 13 HA SER 13 6.458 -10.114 1.806 93 HB2 SER 13 HB2 SER 13 4.795 -8.729 0.397 94 HB3 SER 13 HB3 SER 13 4.990 -7.470 1.619 95 HG SER 13 HG SER 13 6.518 -8.065 -0.456 96 H LYS 14 HN LYS 14 7.216 -7.451 2.374 97 HA LYS 14 HA LYS 14 7.806 -7.553 5.284 98 HB2 LYS 14 HB2 LYS 14 9.729 -7.443 3.695 99 HB3 LYS 14 HB3 LYS 14 9.077 -5.941 3.058 100 HG2 LYS 14 HG2 LYS 14 10.842 -5.409 4.568 101 HG3 LYS 14 HG3 LYS 14 9.368 -4.880 5.337 102 HD2 LYS 14 HD2 LYS 14 10.322 -7.679 5.971 103 HD3 LYS 14 HD3 LYS 14 11.282 -6.338 6.604 104 HE2 LYS 14 HE2 LYS 14 9.468 -5.415 7.815 105 HE3 LYS 14 HE3 LYS 14 8.269 -6.434 7.006 106 HZ1 LYS 14 HZ1 LYS 14 10.366 -7.548 8.760 107 HZ2 LYS 14 HZ2 LYS 14 9.036 -8.323 8.125 108 HZ3 LYS 14 HZ3 LYS 14 8.860 -7.153 9.250 109 H TRP 15 HN TRP 15 6.684 -5.334 2.699 110 HA TRP 15 HA TRP 15 6.077 -3.326 4.778 111 HB2 TRP 15 HB2 TRP 15 6.455 -2.915 1.794 112 HB3 TRP 15 HB3 TRP 15 6.325 -1.684 3.030 113 HD1 TRP 15 HD1 TRP 15 8.895 -3.844 1.365 114 HE1 TRP 15 HE1 TRP 15 11.207 -3.418 2.341 115 HE3 TRP 15 HE3 TRP 15 7.530 -0.939 5.358 116 HZ2 TRP 15 HZ2 TRP 15 12.296 -1.912 4.602 117 HZ3 TRP 15 HZ3 TRP 15 9.185 -0.171 6.986 118 HH2 TRP 15 HH2 TRP 15 11.610 -0.680 6.628 119 H GLU 16 HN GLU 16 4.290 -5.642 3.356 120 HA GLU 16 HA GLU 16 2.267 -4.120 1.953 121 HB2 GLU 16 HB2 GLU 16 1.349 -6.185 1.394 122 HB3 GLU 16 HB3 GLU 16 3.078 -6.477 1.394 123 HG2 GLU 16 HG2 GLU 16 0.965 -7.321 3.354 124 HG3 GLU 16 HG3 GLU 16 1.968 -8.334 2.289 125 H GLU 17 HN GLU 17 2.499 -5.712 5.240 126 HA GLU 17 HA GLU 17 -0.058 -4.977 6.032 127 HB2 GLU 17 HB2 GLU 17 2.415 -6.052 7.105 128 HB3 GLU 17 HB3 GLU 17 1.904 -4.754 8.186 129 HG2 GLU 17 HG2 GLU 17 -0.071 -6.824 7.162 130 HG3 GLU 17 HG3 GLU 17 1.021 -7.142 8.491 131 H ILE 18 HN ILE 18 3.031 -3.162 6.265 132 HA ILE 18 HA ILE 18 2.056 -0.913 7.648 133 HB ILE 18 HB ILE 18 4.273 -1.076 5.591 134 HG12 ILE 18 HG12 ILE 18 4.422 -1.131 8.650 135 HG13 ILE 18 HG13 ILE 18 4.297 -2.607 7.731 136 HG21 ILE 18 HG21 ILE 18 3.594 1.298 6.063 137 HG22 ILE 18 HG22 ILE 18 3.829 1.010 7.782 138 HG23 ILE 18 HG23 ILE 18 5.210 0.943 6.666 139 HD11 ILE 18 HD11 ILE 18 6.402 -2.263 6.654 140 HD12 ILE 18 HD12 ILE 18 6.610 -0.676 7.466 141 HD13 ILE 18 HD13 ILE 18 6.598 -2.181 8.396 142 H ALA 19 HN ALA 19 2.021 -1.582 4.147 143 HA ALA 19 HA ALA 19 0.728 0.835 3.382 144 HB1 ALA 19 HB1 ALA 19 0.656 -1.945 2.102 145 HB2 ALA 19 HB2 ALA 19 0.063 -0.468 1.342 146 HB3 ALA 19 HB3 ALA 19 1.785 -0.622 1.728 147 H VAL 20 HN VAL 20 -0.720 -2.473 4.053 148 HA VAL 20 HA VAL 20 -3.365 -1.686 3.741 149 HB VAL 20 HB VAL 20 -1.910 -3.903 5.209 150 HG11 VAL 20 HG11 VAL 20 -4.082 -5.136 5.380 151 HG12 VAL 20 HG12 VAL 20 -3.874 -3.798 6.503 152 HG13 VAL 20 HG13 VAL 20 -4.922 -3.592 5.068 153 HG21 VAL 20 HG21 VAL 20 -3.710 -3.915 2.761 154 HG22 VAL 20 HG22 VAL 20 -1.937 -3.855 2.705 155 HG23 VAL 20 HG23 VAL 20 -2.739 -5.280 3.390 156 H LYS 21 HN LYS 21 -1.376 -1.436 6.810 157 HA LYS 21 HA LYS 21 -3.685 -0.530 8.222 158 HB2 LYS 21 HB2 LYS 21 -1.740 0.331 9.876 159 HB3 LYS 21 HB3 LYS 21 -2.562 -1.221 9.945 160 HG2 LYS 21 HG2 LYS 21 -0.858 -2.319 8.772 161 HG3 LYS 21 HG3 LYS 21 -0.136 -0.772 8.252 162 HD2 LYS 21 HD2 LYS 21 0.839 -0.416 10.336 163 HD3 LYS 21 HD3 LYS 21 -0.181 -1.642 11.140 164 HE2 LYS 21 HE2 LYS 21 0.930 -3.455 10.037 165 HE3 LYS 21 HE3 LYS 21 1.723 -2.379 8.884 166 HZ1 LYS 21 HZ1 LYS 21 2.345 -2.566 11.760 167 HZ2 LYS 21 HZ2 LYS 21 3.005 -1.481 10.752 168 HZ3 LYS 21 HZ3 LYS 21 3.308 -3.081 10.529 169 H GLU 22 HN GLU 22 -0.900 1.324 6.744 170 HA GLU 22 HA GLU 22 -1.766 3.867 7.666 171 HB2 GLU 22 HB2 GLU 22 -0.365 2.986 5.119 172 HB3 GLU 22 HB3 GLU 22 -0.789 4.670 5.466 173 HG2 GLU 22 HG2 GLU 22 0.708 3.281 7.585 174 HG3 GLU 22 HG3 GLU 22 1.605 3.595 6.118 175 H ALA 23 HN ALA 23 -2.751 1.971 4.825 176 HA ALA 23 HA ALA 23 -4.378 3.903 3.600 177 HB1 ALA 23 HB1 ALA 23 -3.568 1.898 2.469 178 HB2 ALA 23 HB2 ALA 23 -4.587 0.866 3.494 179 HB3 ALA 23 HB3 ALA 23 -5.326 2.007 2.350 180 H LYS 24 HN LYS 24 -5.168 1.967 6.491 181 HA LYS 24 HA LYS 24 -7.984 2.897 6.241 182 HB2 LYS 24 HB2 LYS 24 -8.511 1.681 8.212 183 HB3 LYS 24 HB3 LYS 24 -7.908 0.676 6.884 184 HG2 LYS 24 HG2 LYS 24 -5.834 0.283 7.931 185 HG3 LYS 24 HG3 LYS 24 -6.111 1.626 9.064 186 HD2 LYS 24 HD2 LYS 24 -6.347 -0.596 10.137 187 HD3 LYS 24 HD3 LYS 24 -7.810 0.415 10.225 188 HE2 LYS 24 HE2 LYS 24 -8.916 -0.880 8.519 189 HE3 LYS 24 HE3 LYS 24 -7.421 -1.728 8.101 190 HZ1 LYS 24 HZ1 LYS 24 -8.830 -1.977 10.685 191 HZ2 LYS 24 HZ2 LYS 24 -7.468 -2.817 10.233 192 HZ3 LYS 24 HZ3 LYS 24 -8.889 -3.068 9.446 193 H LYS 25 HN LYS 25 -5.025 3.465 8.110 194 HA LYS 25 HA LYS 25 -6.149 5.009 10.203 195 HB2 LYS 25 HB2 LYS 25 -3.414 5.221 8.847 196 HB3 LYS 25 HB3 LYS 25 -3.862 6.104 10.300 197 HG2 LYS 25 HG2 LYS 25 -4.263 3.978 11.500 198 HG3 LYS 25 HG3 LYS 25 -3.779 3.075 10.058 199 HD2 LYS 25 HD2 LYS 25 -1.549 4.279 10.143 200 HD3 LYS 25 HD3 LYS 25 -2.055 4.991 11.673 201 HE2 LYS 25 HE2 LYS 25 -1.638 2.039 11.063 202 HE3 LYS 25 HE3 LYS 25 -0.633 3.078 12.079 203 HZ1 LYS 25 HZ1 LYS 25 -2.572 3.305 13.564 204 HZ2 LYS 25 HZ2 LYS 25 -1.989 1.785 13.463 205 HZ3 LYS 25 HZ3 LYS 25 -3.388 2.169 12.696 206 H ARG 26 HN ARG 26 -4.835 6.032 7.044 207 HA ARG 26 HA ARG 26 -5.345 8.811 7.579 208 HB2 ARG 26 HB2 ARG 26 -3.467 7.773 6.236 209 HB3 ARG 26 HB3 ARG 26 -4.621 7.482 4.939 210 HG2 ARG 26 HG2 ARG 26 -4.831 9.714 4.429 211 HG3 ARG 26 HG3 ARG 26 -4.532 10.274 6.079 212 HD2 ARG 26 HD2 ARG 26 -2.202 10.053 5.911 213 HD3 ARG 26 HD3 ARG 26 -2.323 8.948 4.550 214 HE ARG 26 HE ARG 26 -3.467 11.159 3.531 215 HH11 ARG 26 HH11 ARG 26 -0.191 10.434 4.760 216 HH12 ARG 26 HH12 ARG 26 0.492 11.876 4.043 217 HH21 ARG 26 HH21 ARG 26 -2.565 13.015 2.691 218 HH22 ARG 26 HH22 ARG 26 -0.841 13.198 2.557 219 H TYR 27 HN TYR 27 -7.720 6.578 6.959 220 HA TYR 27 HA TYR 27 -9.279 8.386 5.210 221 HB2 TYR 27 HB2 TYR 27 -8.708 5.459 4.744 222 HB3 TYR 27 HB3 TYR 27 -10.062 6.318 4.013 223 HD1 TYR 27 HD2 TYR 27 -9.683 8.279 2.518 224 HD2 TYR 27 HD1 TYR 27 -6.472 5.761 3.871 225 HE1 TYR 27 HE2 TYR 27 -8.142 9.315 0.850 226 HE2 TYR 27 HE1 TYR 27 -5.032 6.561 2.131 227 HH TYR 27 HH TYR 27 -5.026 8.094 -0.029 228 HA PRO 28 HA PRO 28 -11.455 6.880 8.935 229 HB2 PRO 28 HB2 PRO 28 -12.382 9.301 9.833 230 HB3 PRO 28 HB3 PRO 28 -10.722 8.692 10.136 231 HG2 PRO 28 HG2 PRO 28 -11.653 10.711 8.093 232 HG3 PRO 28 HG3 PRO 28 -10.132 10.680 9.061 233 HD2 PRO 28 HD2 PRO 28 -10.317 9.890 6.448 234 HD3 PRO 28 HD3 PRO 28 -9.075 9.356 7.619 235 H LEU 29 HN LEU 29 -12.623 8.717 6.134 236 HA LEU 29 HA LEU 29 -15.441 8.445 6.957 237 HB2 LEU 29 HB2 LEU 29 -14.080 9.715 4.573 238 HB3 LEU 29 HB3 LEU 29 -15.776 9.302 4.521 239 HG LEU 29 HG LEU 29 -16.188 10.639 6.593 240 HD11 LEU 29 HD11 LEU 29 -14.423 12.371 7.139 241 HD12 LEU 29 HD12 LEU 29 -13.283 11.467 6.125 242 HD13 LEU 29 HD13 LEU 29 -14.003 10.731 7.588 243 HD21 LEU 29 HD21 LEU 29 -16.090 12.817 5.407 244 HD22 LEU 29 HD22 LEU 29 -16.707 11.515 4.378 245 HD23 LEU 29 HD23 LEU 29 -15.043 12.079 4.177 246 H ALA 30 HN ALA 30 -13.114 6.430 5.628 247 HA ALA 30 HA ALA 30 -15.021 4.810 4.043 248 HB1 ALA 30 HB1 ALA 30 -13.172 4.563 2.414 249 HB2 ALA 30 HB2 ALA 30 -13.619 6.266 2.588 250 HB3 ALA 30 HB3 ALA 30 -12.148 5.663 3.367 251 H GLN 31 HN GLN 31 -13.871 2.550 3.631 252 HA GLN 31 HA GLN 31 -12.116 1.805 5.948 253 HB2 GLN 31 HB2 GLN 31 -14.234 0.010 4.742 254 HB3 GLN 31 HB3 GLN 31 -13.089 -0.402 6.021 255 HG2 GLN 31 HG2 GLN 31 -15.394 1.529 6.150 256 HG3 GLN 31 HG3 GLN 31 -15.244 -0.028 6.938 257 HE21 GLN 31 HE21 GLN 31 -14.920 3.207 7.410 258 HE22 GLN 31 HE22 GLN 31 -14.050 3.232 8.950 259 H VAL 32 HN VAL 32 -10.726 0.063 5.510 260 HA VAL 32 HA VAL 32 -9.829 -0.141 2.712 261 HB VAL 32 HB VAL 32 -8.648 -0.912 5.401 262 HG11 VAL 32 HG11 VAL 32 -8.075 -2.883 3.968 263 HG12 VAL 32 HG12 VAL 32 -7.424 -1.791 2.734 264 HG13 VAL 32 HG13 VAL 32 -6.666 -1.895 4.328 265 HG21 VAL 32 HG21 VAL 32 -7.631 0.690 3.021 266 HG22 VAL 32 HG22 VAL 32 -8.306 1.346 4.523 267 HG23 VAL 32 HG23 VAL 32 -6.784 0.432 4.555 268 H LEU 33 HN LEU 33 -10.175 -2.030 1.502 269 HA LEU 33 HA LEU 33 -11.208 -4.515 2.579 270 HB2 LEU 33 HB2 LEU 33 -13.234 -4.191 1.119 271 HB3 LEU 33 HB3 LEU 33 -13.261 -3.444 2.658 272 HG LEU 33 HG LEU 33 -12.229 -1.464 0.799 273 HD11 LEU 33 HD11 LEU 33 -14.816 -2.787 -0.016 274 HD12 LEU 33 HD12 LEU 33 -13.271 -2.898 -0.891 275 HD13 LEU 33 HD13 LEU 33 -14.058 -1.335 -0.743 276 HD21 LEU 33 HD21 LEU 33 -14.090 -0.189 1.614 277 HD22 LEU 33 HD22 LEU 33 -13.497 -1.143 2.975 278 HD23 LEU 33 HD23 LEU 33 -14.970 -1.645 2.133 279 H PHE 34 HN PHE 34 -8.983 -3.263 0.573 280 HA PHE 34 HA PHE 34 -9.319 -5.356 -1.483 281 HB2 PHE 34 HB2 PHE 34 -9.925 -2.576 -1.895 282 HB3 PHE 34 HB3 PHE 34 -8.386 -2.869 -2.659 283 HD1 PHE 34 HD2 PHE 34 -11.959 -3.910 -2.583 284 HD2 PHE 34 HD1 PHE 34 -8.324 -3.751 -4.823 285 HE1 PHE 34 HE2 PHE 34 -13.207 -4.539 -4.639 286 HE2 PHE 34 HE1 PHE 34 -9.522 -4.403 -6.869 287 HZ PHE 34 HZ PHE 34 -11.978 -4.745 -6.808 288 H LYS 35 HN LYS 35 -7.214 -5.980 -2.296 289 HA LYS 35 HA LYS 35 -4.809 -4.641 -1.173 290 HB2 LYS 35 HB2 LYS 35 -5.529 -7.557 -0.658 291 HB3 LYS 35 HB3 LYS 35 -3.937 -6.859 -0.370 292 HG2 LYS 35 HG2 LYS 35 -4.831 -5.312 1.282 293 HG3 LYS 35 HG3 LYS 35 -6.480 -5.892 1.010 294 HD2 LYS 35 HD2 LYS 35 -4.281 -7.747 1.986 295 HD3 LYS 35 HD3 LYS 35 -5.307 -6.786 3.079 296 HE2 LYS 35 HE2 LYS 35 -7.340 -7.734 2.044 297 HE3 LYS 35 HE3 LYS 35 -6.346 -8.718 0.962 298 HZ1 LYS 35 HZ1 LYS 35 -5.643 -10.022 2.740 299 HZ2 LYS 35 HZ2 LYS 35 -7.260 -9.863 2.865 300 HZ3 LYS 35 HZ3 LYS 35 -6.294 -8.994 3.890 301 H GLN 36 HN GLN 36 -4.547 -4.012 -3.465 302 HA GLN 36 HA GLN 36 -3.836 -6.328 -5.250 303 HB2 GLN 36 HB2 GLN 36 -4.525 -3.502 -6.081 304 HB3 GLN 36 HB3 GLN 36 -4.152 -4.837 -7.153 305 HG2 GLN 36 HG2 GLN 36 -6.513 -4.722 -5.274 306 HG3 GLN 36 HG3 GLN 36 -6.549 -4.298 -6.983 307 HE21 GLN 36 HE21 GLN 36 -6.586 -6.012 -8.595 308 HE22 GLN 36 HE22 GLN 36 -7.133 -7.573 -8.035 309 H LYS 37 HN LYS 37 -2.190 -5.769 -6.866 310 HA LYS 37 HA LYS 37 0.017 -4.047 -5.864 311 HB2 LYS 37 HB2 LYS 37 0.653 -6.604 -7.327 312 HB3 LYS 37 HB3 LYS 37 1.673 -5.618 -6.295 313 HG2 LYS 37 HG2 LYS 37 0.252 -6.533 -4.318 314 HG3 LYS 37 HG3 LYS 37 -0.468 -7.634 -5.506 315 HD2 LYS 37 HD2 LYS 37 1.803 -8.448 -6.102 316 HD3 LYS 37 HD3 LYS 37 2.505 -7.351 -4.920 317 HE2 LYS 37 HE2 LYS 37 2.469 -9.602 -4.034 318 HE3 LYS 37 HE3 LYS 37 1.401 -8.564 -3.080 319 HZ1 LYS 37 HZ1 LYS 37 -0.474 -9.492 -4.175 320 HZ2 LYS 37 HZ2 LYS 37 0.443 -10.777 -3.720 321 HZ3 LYS 37 HZ3 LYS 37 0.428 -10.271 -5.290 322 H VAL 38 HN VAL 38 0.973 -2.894 -7.480 323 HA VAL 38 HA VAL 38 0.404 -3.457 -10.318 324 HB VAL 38 HB VAL 38 -0.108 -0.669 -9.250 325 HG11 VAL 38 HG11 VAL 38 -1.222 -2.231 -11.643 326 HG12 VAL 38 HG12 VAL 38 -1.596 -0.544 -11.269 327 HG13 VAL 38 HG13 VAL 38 0.043 -0.994 -11.743 328 HG21 VAL 38 HG21 VAL 38 -2.516 -0.991 -9.150 329 HG22 VAL 38 HG22 VAL 38 -2.339 -2.721 -9.469 330 HG23 VAL 38 HG23 VAL 38 -1.735 -2.015 -7.959 331 H TRP 39 HN TRP 39 2.802 -2.929 -8.057 332 HA TRP 39 HA TRP 39 4.666 -1.588 -9.853 333 HB2 TRP 39 HB2 TRP 39 2.987 0.061 -8.412 334 HB3 TRP 39 HB3 TRP 39 4.198 -0.240 -7.189 335 HD1 TRP 39 HD1 TRP 39 4.410 0.575 -10.958 336 HE1 TRP 39 HE1 TRP 39 5.976 2.568 -11.313 337 HE3 TRP 39 HE3 TRP 39 5.598 1.529 -6.071 338 HZ2 TRP 39 HZ2 TRP 39 7.255 4.582 -9.651 339 HZ3 TRP 39 HZ3 TRP 39 7.000 3.469 -5.495 340 HH2 TRP 39 HH2 TRP 39 7.892 4.947 -7.280 341 H ASP 40 HN ASP 40 6.881 -1.875 -9.027 342 HA ASP 40 HA ASP 40 7.232 -2.807 -6.333 343 HB2 ASP 40 HB2 ASP 40 8.162 -4.961 -6.662 344 HB3 ASP 40 HB3 ASP 40 6.546 -4.910 -7.308 345 H ARG 41 HN ARG 41 8.307 -0.587 -7.840 346 HA ARG 41 HA ARG 41 10.845 -1.311 -8.853 347 HB2 ARG 41 HB2 ARG 41 10.998 0.920 -9.599 348 HB3 ARG 41 HB3 ARG 41 9.346 0.402 -9.743 349 HG2 ARG 41 HG2 ARG 41 8.861 2.355 -8.937 350 HG3 ARG 41 HG3 ARG 41 9.347 1.806 -7.326 351 HD2 ARG 41 HD2 ARG 41 11.604 2.808 -7.713 352 HD3 ARG 41 HD3 ARG 41 11.189 3.046 -9.410 353 HE ARG 41 HE ARG 41 9.627 4.486 -7.379 354 HH11 ARG 41 HH11 ARG 41 12.197 4.716 -9.815 355 HH12 ARG 41 HH12 ARG 41 11.648 6.192 -10.489 356 HH21 ARG 41 HH21 ARG 41 9.007 6.703 -8.151 357 HH22 ARG 41 HH22 ARG 41 9.998 7.393 -9.377 358 H LYS 42 HN LYS 42 12.779 0.232 -8.541 359 HA LYS 42 HA LYS 42 13.518 0.604 -5.709 360 HB2 LYS 42 HB2 LYS 42 14.124 -1.717 -6.858 361 HB3 LYS 42 HB3 LYS 42 15.421 -0.800 -7.578 362 HG2 LYS 42 HG2 LYS 42 16.156 -0.150 -5.257 363 HG3 LYS 42 HG3 LYS 42 14.831 -1.176 -4.632 364 HD2 LYS 42 HD2 LYS 42 15.840 -3.132 -5.784 365 HD3 LYS 42 HD3 LYS 42 17.163 -2.093 -6.350 366 HE2 LYS 42 HE2 LYS 42 17.905 -1.651 -4.108 367 HE3 LYS 42 HE3 LYS 42 16.478 -2.446 -3.421 368 HZ1 LYS 42 HZ1 LYS 42 18.497 -3.836 -3.394 369 HZ2 LYS 42 HZ2 LYS 42 18.525 -3.875 -5.024 370 HZ3 LYS 42 HZ3 LYS 42 17.259 -4.529 -4.223 371 H ARG 43 HN ARG 43 15.685 1.752 -5.601 372 HA ARG 43 HA ARG 43 16.378 3.535 -7.835 373 HB2 ARG 43 HB2 ARG 43 15.563 4.593 -5.773 374 HB3 ARG 43 HB3 ARG 43 16.815 3.767 -4.838 375 HG2 ARG 43 HG2 ARG 43 18.473 5.067 -5.560 376 HG3 ARG 43 HG3 ARG 43 17.809 5.180 -7.211 377 HD2 ARG 43 HD2 ARG 43 16.102 6.733 -6.468 378 HD3 ARG 43 HD3 ARG 43 16.741 6.682 -4.820 379 HE ARG 43 HE ARG 43 18.599 7.926 -5.427 380 HH11 ARG 43 HH11 ARG 43 16.687 7.191 -8.365 381 HH12 ARG 43 HH12 ARG 43 17.311 8.560 -9.225 382 HH21 ARG 43 HH21 ARG 43 19.536 9.609 -6.712 383 HH22 ARG 43 HH22 ARG 43 19.147 9.700 -8.414 384 H LYS 44 HN LYS 44 19.129 3.779 -7.027 385 HA LYS 44 HA LYS 44 20.344 1.119 -6.751 386 HB2 LYS 44 HB2 LYS 44 21.295 3.978 -6.671 387 HB3 LYS 44 HB3 LYS 44 22.116 2.838 -5.603 388 HG2 LYS 44 HG2 LYS 44 23.440 2.862 -7.489 389 HG3 LYS 44 HG3 LYS 44 22.574 1.342 -7.514 390 HD2 LYS 44 HD2 LYS 44 22.172 1.855 -9.661 391 HD3 LYS 44 HD3 LYS 44 20.888 2.899 -9.058 392 HE2 LYS 44 HE2 LYS 44 23.767 3.713 -9.686 393 HE3 LYS 44 HE3 LYS 44 22.393 3.959 -10.757 394 HZ1 LYS 44 HZ1 LYS 44 21.450 5.460 -9.108 395 HZ2 LYS 44 HZ2 LYS 44 23.005 5.915 -9.533 396 HZ3 LYS 44 HZ3 LYS 44 22.752 5.226 -8.103 397 H ASP 45 HN ASP 45 20.100 3.898 -4.585 398 HA ASP 45 HA ASP 45 20.786 2.310 -2.373 399 HB2 ASP 45 HB2 ASP 45 20.173 5.284 -2.596 400 HB3 ASP 45 HB3 ASP 45 21.114 4.494 -1.334 401 H GLU 46 HN GLU 46 17.699 2.808 -3.398 402 HA GLU 46 HA GLU 46 16.526 2.626 -0.766 403 HB2 GLU 46 HB2 GLU 46 16.744 5.170 -1.497 404 HB3 GLU 46 HB3 GLU 46 15.344 4.780 -2.519 405 HG2 GLU 46 HG2 GLU 46 14.072 4.040 -0.583 406 HG3 GLU 46 HG3 GLU 46 15.496 4.160 0.453 407 H ALA 47 HN ALA 47 14.125 2.102 -1.120 408 HA ALA 47 HA ALA 47 13.530 0.789 -3.694 409 HB1 ALA 47 HB1 ALA 47 13.133 -1.326 -2.479 410 HB2 ALA 47 HB2 ALA 47 14.832 -0.817 -2.383 411 HB3 ALA 47 HB3 ALA 47 13.774 -0.558 -0.990 412 H VAL 48 HN VAL 48 11.289 0.488 -4.072 413 HA VAL 48 HA VAL 48 9.396 1.656 -2.154 414 HB VAL 48 HB VAL 48 8.841 3.256 -4.179 415 HG11 VAL 48 HG11 VAL 48 10.028 5.067 -3.175 416 HG12 VAL 48 HG12 VAL 48 9.488 3.993 -1.885 417 HG13 VAL 48 HG13 VAL 48 11.181 3.987 -2.394 418 HG21 VAL 48 HG21 VAL 48 10.703 4.120 -5.417 419 HG22 VAL 48 HG22 VAL 48 11.867 3.121 -4.545 420 HG23 VAL 48 HG23 VAL 48 10.712 2.358 -5.646 421 H LYS 49 HN LYS 49 8.483 -0.446 -2.265 422 HA LYS 49 HA LYS 49 7.345 -1.221 -4.910 423 HB2 LYS 49 HB2 LYS 49 7.909 -3.548 -4.444 424 HB3 LYS 49 HB3 LYS 49 9.335 -2.511 -4.504 425 HG2 LYS 49 HG2 LYS 49 9.335 -2.533 -1.981 426 HG3 LYS 49 HG3 LYS 49 8.048 -3.717 -2.010 427 HD2 LYS 49 HD2 LYS 49 10.096 -4.576 -3.843 428 HD3 LYS 49 HD3 LYS 49 10.888 -4.081 -2.350 429 HE2 LYS 49 HE2 LYS 49 10.504 -6.351 -2.073 430 HE3 LYS 49 HE3 LYS 49 9.243 -5.600 -1.110 431 HZ1 LYS 49 HZ1 LYS 49 8.556 -7.480 -2.551 432 HZ2 LYS 49 HZ2 LYS 49 8.948 -6.646 -3.860 433 HZ3 LYS 49 HZ3 LYS 49 7.677 -6.125 -2.941 434 H GLN 50 HN GLN 50 5.763 0.257 -3.520 435 HA GLN 50 HA GLN 50 4.405 -1.169 -1.406 436 HB2 GLN 50 HB2 GLN 50 3.498 1.457 -2.630 437 HB3 GLN 50 HB3 GLN 50 3.209 0.813 -1.020 438 HG2 GLN 50 HG2 GLN 50 4.750 2.424 -0.608 439 HG3 GLN 50 HG3 GLN 50 5.784 0.988 -0.687 440 HE21 GLN 50 HE21 GLN 50 7.399 3.010 -1.067 441 HE22 GLN 50 HE22 GLN 50 7.444 3.625 -2.718 442 H TYR 51 HN TYR 51 1.765 -0.182 -1.933 443 HA TYR 51 HA TYR 51 0.802 -2.120 -3.952 444 HB2 TYR 51 HB2 TYR 51 -0.026 -1.871 -1.027 445 HB3 TYR 51 HB3 TYR 51 -0.750 -2.957 -2.211 446 HD1 TYR 51 HD2 TYR 51 0.684 -4.735 -3.281 447 HD2 TYR 51 HD1 TYR 51 2.072 -2.444 0.069 448 HE1 TYR 51 HE2 TYR 51 2.560 -6.364 -2.936 449 HE2 TYR 51 HE1 TYR 51 3.966 -4.023 0.376 450 HH TYR 51 HH TYR 51 5.000 -6.166 -1.907 451 H HIS 52 HN HIS 52 -1.667 -1.805 -4.112 452 HA HIS 52 HA HIS 52 -2.422 1.046 -3.872 453 HB2 HIS 52 HB2 HIS 52 -1.659 0.799 -6.161 454 HB3 HIS 52 HB3 HIS 52 -2.536 -0.722 -6.329 455 HD1 HIS 52 HD1 HIS 52 -4.854 -0.557 -7.335 456 HD2 HIS 52 HD2 HIS 52 -3.364 3.100 -5.898 457 HE1 HIS 52 HE1 HIS 52 -6.668 1.201 -7.802 458 H LEU 53 HN LEU 53 -4.117 0.951 -2.506 459 HA LEU 53 HA LEU 53 -5.733 -1.545 -2.331 460 HB2 LEU 53 HB2 LEU 53 -5.551 0.743 -0.334 461 HB3 LEU 53 HB3 LEU 53 -6.284 -0.833 -0.126 462 HG LEU 53 HG LEU 53 -4.424 -0.889 1.156 463 HD11 LEU 53 HD11 LEU 53 -2.831 -2.543 0.248 464 HD12 LEU 53 HD12 LEU 53 -3.594 -2.354 -1.349 465 HD13 LEU 53 HD13 LEU 53 -4.531 -2.949 0.050 466 HD21 LEU 53 HD21 LEU 53 -3.243 1.103 0.178 467 HD22 LEU 53 HD22 LEU 53 -2.448 -0.021 -0.941 468 HD23 LEU 53 HD23 LEU 53 -2.254 -0.212 0.827 469 H THR 54 HN THR 54 -8.125 -1.067 -1.996 470 HA THR 54 HA THR 54 -8.969 1.497 -3.253 471 HB THR 54 HB THR 54 -10.017 -1.283 -3.721 472 HG1 THR 54 HG1 THR 54 -8.184 -0.777 -4.903 473 HG21 THR 54 HG21 THR 54 -11.883 0.313 -3.670 474 HG22 THR 54 HG22 THR 54 -11.619 -0.453 -5.233 475 HG23 THR 54 HG23 THR 54 -11.104 1.245 -4.975 476 H LEU 55 HN LEU 55 -9.981 2.607 -1.882 477 HA LEU 55 HA LEU 55 -11.135 1.438 0.642 478 HB2 LEU 55 HB2 LEU 55 -10.736 4.251 -0.405 479 HB3 LEU 55 HB3 LEU 55 -11.795 3.950 0.937 480 HG LEU 55 HG LEU 55 -9.647 4.763 1.564 481 HD11 LEU 55 HD11 LEU 55 -9.811 2.165 2.861 482 HD12 LEU 55 HD12 LEU 55 -10.866 3.585 3.209 483 HD13 LEU 55 HD13 LEU 55 -9.100 3.705 3.399 484 HD21 LEU 55 HD21 LEU 55 -7.598 3.531 1.430 485 HD22 LEU 55 HD22 LEU 55 -8.366 3.506 -0.166 486 HD23 LEU 55 HD23 LEU 55 -8.450 2.060 0.865 487 H ARG 56 HN ARG 56 -13.406 1.990 1.179 488 HA ARG 56 HA ARG 56 -14.917 3.160 -1.045 489 HB2 ARG 56 HB2 ARG 56 -16.459 1.611 -1.437 490 HB3 ARG 56 HB3 ARG 56 -15.176 0.554 -0.942 491 HG2 ARG 56 HG2 ARG 56 -16.251 0.414 1.353 492 HG3 ARG 56 HG3 ARG 56 -17.585 1.374 0.666 493 HD2 ARG 56 HD2 ARG 56 -17.638 -0.379 -1.239 494 HD3 ARG 56 HD3 ARG 56 -16.630 -1.384 -0.206 495 HE ARG 56 HE ARG 56 -18.880 -0.526 1.303 496 HH11 ARG 56 HH11 ARG 56 -18.287 -2.519 -1.610 497 HH12 ARG 56 HH12 ARG 56 -19.615 -3.555 -1.348 498 HH21 ARG 56 HH21 ARG 56 -20.771 -1.730 1.506 499 HH22 ARG 56 HH22 ARG 56 -21.137 -3.072 0.476 500 H GLU 57 HN GLU 57 -16.719 4.358 -0.373 501 HA GLU 57 HA GLU 57 -17.011 4.907 2.535 502 HB2 GLU 57 HB2 GLU 57 -15.670 6.731 1.723 503 HB3 GLU 57 HB3 GLU 57 -16.665 6.931 0.279 504 HG2 GLU 57 HG2 GLU 57 -18.084 7.205 2.927 505 HG3 GLU 57 HG3 GLU 57 -16.910 8.436 2.526 506 H GLY 58 HN GLY 58 -18.802 3.646 2.579 507 HA2 GLY 58 HA1 GLY 58 -20.929 2.948 2.318 508 HA3 GLY 58 HA2 GLY 58 -21.317 4.587 1.765 509 H SER 59 HN SER 59 -21.464 5.015 -0.371 510 HA SER 59 HA SER 59 -21.737 2.673 -2.173 511 HB2 SER 59 HB2 SER 59 -23.775 3.750 -1.535 512 HB3 SER 59 HB3 SER 59 -23.145 5.346 -1.919 513 HG SER 59 HG SER 59 -23.611 3.276 -3.837 514 H LYS 60 HN LYS 60 -19.520 5.290 -1.721 515 HA LYS 60 HA LYS 60 -18.775 5.192 -4.611 516 HB2 LYS 60 HB2 LYS 60 -18.768 7.470 -3.745 517 HB3 LYS 60 HB3 LYS 60 -17.741 7.023 -2.401 518 HG2 LYS 60 HG2 LYS 60 -15.924 6.875 -3.741 519 HG3 LYS 60 HG3 LYS 60 -16.795 6.434 -5.200 520 HD2 LYS 60 HD2 LYS 60 -15.869 8.493 -5.648 521 HD3 LYS 60 HD3 LYS 60 -17.581 8.825 -5.365 522 HE2 LYS 60 HE2 LYS 60 -17.146 9.757 -3.206 523 HE3 LYS 60 HE3 LYS 60 -15.527 9.049 -3.138 524 HZ1 LYS 60 HZ1 LYS 60 -14.852 10.504 -4.916 525 HZ2 LYS 60 HZ2 LYS 60 -15.388 11.363 -3.625 526 HZ3 LYS 60 HZ3 LYS 60 -16.327 11.229 -4.965 527 H GLU 61 HN GLU 61 -16.486 4.626 -5.040 528 HA GLU 61 HA GLU 61 -14.974 3.189 -3.031 529 HB2 GLU 61 HB2 GLU 61 -16.773 1.730 -4.150 530 HB3 GLU 61 HB3 GLU 61 -15.805 1.834 -5.628 531 HG2 GLU 61 HG2 GLU 61 -14.090 0.545 -4.637 532 HG3 GLU 61 HG3 GLU 61 -14.552 0.978 -3.015 533 H PHE 62 HN PHE 62 -12.722 3.433 -3.563 534 HA PHE 62 HA PHE 62 -11.972 4.815 -6.056 535 HB2 PHE 62 HB2 PHE 62 -11.064 6.747 -4.835 536 HB3 PHE 62 HB3 PHE 62 -12.812 6.662 -4.817 537 HD1 PHE 62 HD1 PHE 62 -13.965 5.711 -2.679 538 HD2 PHE 62 HD2 PHE 62 -9.874 7.113 -2.749 539 HE1 PHE 62 HE1 PHE 62 -14.054 6.067 -0.259 540 HE2 PHE 62 HE2 PHE 62 -10.019 7.547 -0.336 541 HZ PHE 62 HZ PHE 62 -12.044 6.977 0.945 542 H GLY 63 HN GLY 63 -9.677 4.808 -6.407 543 HA2 GLY 63 HA1 GLY 63 -8.290 2.722 -4.813 544 HA3 GLY 63 HA2 GLY 63 -7.951 3.181 -6.482 545 H VAL 64 HN VAL 64 -6.454 3.116 -3.693 546 HA VAL 64 HA VAL 64 -5.058 5.700 -4.191 547 HB VAL 64 HB VAL 64 -4.758 5.973 -1.804 548 HG11 VAL 64 HG11 VAL 64 -6.737 6.905 -3.296 549 HG12 VAL 64 HG12 VAL 64 -7.727 5.785 -2.377 550 HG13 VAL 64 HG13 VAL 64 -6.793 7.054 -1.543 551 HG21 VAL 64 HG21 VAL 64 -5.122 3.584 -1.104 552 HG22 VAL 64 HG22 VAL 64 -6.124 4.749 -0.220 553 HG23 VAL 64 HG23 VAL 64 -6.819 3.775 -1.542 554 H PHE 65 HN PHE 65 -2.903 5.852 -4.097 555 HA PHE 65 HA PHE 65 -1.372 3.336 -3.893 556 HB2 PHE 65 HB2 PHE 65 -0.526 6.171 -4.600 557 HB3 PHE 65 HB3 PHE 65 0.515 4.787 -4.665 558 HD1 PHE 65 HD1 PHE 65 -0.340 2.748 -6.237 559 HD2 PHE 65 HD2 PHE 65 -1.771 6.821 -6.478 560 HE1 PHE 65 HE1 PHE 65 -0.888 2.425 -8.638 561 HE2 PHE 65 HE2 PHE 65 -2.296 6.492 -8.871 562 HZ PHE 65 HZ PHE 65 -1.841 4.313 -9.950 563 H VAL 66 HN VAL 66 0.863 3.680 -2.776 564 HA VAL 66 HA VAL 66 0.610 5.017 -0.142 565 HB VAL 66 HB VAL 66 1.327 2.101 -0.700 566 HG11 VAL 66 HG11 VAL 66 2.738 3.041 1.124 567 HG12 VAL 66 HG12 VAL 66 1.250 3.526 1.967 568 HG13 VAL 66 HG13 VAL 66 1.611 1.818 1.687 569 HG21 VAL 66 HG21 VAL 66 -0.606 1.592 0.801 570 HG22 VAL 66 HG22 VAL 66 -1.028 3.298 0.793 571 HG23 VAL 66 HG23 VAL 66 -1.090 2.360 -0.712 572 H THR 67 HN THR 67 2.681 5.706 0.668 573 HA THR 67 HA THR 67 5.045 5.186 -1.067 574 HB THR 67 HB THR 67 4.149 7.697 0.369 575 HG1 THR 67 HG1 THR 67 5.096 8.214 -1.984 576 HG21 THR 67 HG21 THR 67 6.318 8.695 -0.196 577 HG22 THR 67 HG22 THR 67 6.902 7.125 -0.800 578 HG23 THR 67 HG23 THR 67 6.536 7.374 0.926 579 H ILE 68 HN ILE 68 6.189 3.744 0.004 580 HA ILE 68 HA ILE 68 6.956 4.293 2.813 581 HB ILE 68 HB ILE 68 6.262 1.575 1.638 582 HG12 ILE 68 HG12 ILE 68 5.294 2.569 4.334 583 HG13 ILE 68 HG13 ILE 68 4.487 3.168 2.895 584 HG21 ILE 68 HG21 ILE 68 7.703 2.199 4.254 585 HG22 ILE 68 HG22 ILE 68 7.075 0.608 3.773 586 HG23 ILE 68 HG23 ILE 68 8.379 1.343 2.850 587 HD11 ILE 68 HD11 ILE 68 3.942 0.954 2.151 588 HD12 ILE 68 HD12 ILE 68 4.808 0.199 3.512 589 HD13 ILE 68 HD13 ILE 68 3.345 1.203 3.781 590 H SER 69 HN SER 69 8.921 5.097 2.403 591 HA SER 69 HA SER 69 10.487 4.144 0.061 592 HB2 SER 69 HB2 SER 69 10.705 6.705 1.709 593 HB3 SER 69 HB3 SER 69 11.507 6.328 0.165 594 HG SER 69 HG SER 69 9.457 7.655 0.274 595 H PHE 70 HN PHE 70 12.000 2.596 0.678 596 HA PHE 70 HA PHE 70 13.137 2.795 3.417 597 HB2 PHE 70 HB2 PHE 70 12.598 0.559 3.889 598 HB3 PHE 70 HB3 PHE 70 11.108 1.271 3.304 599 HD1 PHE 70 HD2 PHE 70 10.290 0.693 0.969 600 HD2 PHE 70 HD1 PHE 70 13.769 -1.160 2.678 601 HE1 PHE 70 HE2 PHE 70 10.219 -1.036 -0.770 602 HE2 PHE 70 HE1 PHE 70 13.632 -3.000 0.998 603 HZ PHE 70 HZ PHE 70 11.842 -2.957 -0.712 604 H ASP 71 HN ASP 71 14.993 1.451 3.752 605 HA ASP 71 HA ASP 71 16.803 1.809 1.481 606 HB2 ASP 71 HB2 ASP 71 16.972 1.433 4.440 607 HB3 ASP 71 HB3 ASP 71 18.271 0.702 3.545 608 HA PRO 72 HA PRO 72 16.760 -2.510 0.329 609 HB2 PRO 72 HB2 PRO 72 19.029 -2.699 -1.194 610 HB3 PRO 72 HB3 PRO 72 17.588 -1.760 -1.700 611 HG2 PRO 72 HG2 PRO 72 20.090 -0.681 -0.374 612 HG3 PRO 72 HG3 PRO 72 19.276 -0.094 -1.858 613 HD2 PRO 72 HD2 PRO 72 18.774 1.036 0.561 614 HD3 PRO 72 HD3 PRO 72 17.467 0.779 -0.636 615 H TYR 73 HN TYR 73 19.638 -1.124 1.753 616 HA TYR 73 HA TYR 73 21.309 -3.188 2.182 617 HB2 TYR 73 HB2 TYR 73 20.864 -1.068 4.289 618 HB3 TYR 73 HB3 TYR 73 22.309 -1.991 3.986 619 HD1 TYR 73 HD2 TYR 73 20.036 0.578 2.456 620 HD2 TYR 73 HD1 TYR 73 23.967 -1.147 2.539 621 HE1 TYR 73 HE2 TYR 73 20.852 2.490 1.180 622 HE2 TYR 73 HE1 TYR 73 24.863 0.853 1.346 623 HH TYR 73 HH TYR 73 22.808 3.672 0.698 624 H SER 74 HN SER 74 18.919 -2.111 4.670 625 HA SER 74 HA SER 74 18.798 -4.831 5.841 626 HB2 SER 74 HB2 SER 74 20.734 -3.412 6.752 627 HB3 SER 74 HB3 SER 74 19.505 -2.301 7.369 628 HG SER 74 HG SER 74 19.793 -3.557 9.007 629 H GLN 75 HN GLN 75 17.003 -2.424 4.516 630 HA GLN 75 HA GLN 75 14.933 -1.605 4.745 631 HB2 GLN 75 HB2 GLN 75 14.588 -4.255 6.237 632 HB3 GLN 75 HB3 GLN 75 13.288 -3.106 6.101 633 HG2 GLN 75 HG2 GLN 75 12.782 -4.217 4.224 634 HG3 GLN 75 HG3 GLN 75 13.988 -3.183 3.482 635 HE21 GLN 75 HE21 GLN 75 16.022 -4.157 2.738 636 HE22 GLN 75 HE22 GLN 75 16.173 -5.904 2.898 637 H LYS 76 HN LYS 76 16.294 0.075 5.963 638 HA LYS 76 HA LYS 76 14.757 0.613 8.462 639 HB2 LYS 76 HB2 LYS 76 16.972 2.109 6.986 640 HB3 LYS 76 HB3 LYS 76 15.822 2.921 8.053 641 HG2 LYS 76 HG2 LYS 76 16.506 1.107 9.820 642 HG3 LYS 76 HG3 LYS 76 17.931 0.881 8.793 643 HD2 LYS 76 HD2 LYS 76 18.377 3.359 9.018 644 HD3 LYS 76 HD3 LYS 76 16.938 3.490 10.046 645 HE2 LYS 76 HE2 LYS 76 17.963 1.904 11.663 646 HE3 LYS 76 HE3 LYS 76 19.418 1.809 10.650 647 HZ1 LYS 76 HZ1 LYS 76 19.747 4.165 10.995 648 HZ2 LYS 76 HZ2 LYS 76 19.633 3.438 12.469 649 HZ3 LYS 76 HZ3 LYS 76 18.371 4.293 11.865 650 H VAL 77 HN VAL 77 12.807 1.767 8.052 651 HA VAL 77 HA VAL 77 12.266 2.591 5.272 652 HB VAL 77 HB VAL 77 10.456 1.637 6.234 653 HG11 VAL 77 HG11 VAL 77 10.706 3.331 8.702 654 HG12 VAL 77 HG12 VAL 77 9.334 2.256 8.299 655 HG13 VAL 77 HG13 VAL 77 10.935 1.566 8.567 656 HG21 VAL 77 HG21 VAL 77 8.764 3.321 6.156 657 HG22 VAL 77 HG22 VAL 77 9.944 4.602 6.503 658 HG23 VAL 77 HG23 VAL 77 10.008 3.706 4.968 659 H ASN 78 HN ASN 78 12.750 4.508 4.598 660 HA ASN 78 HA ASN 78 14.184 6.432 6.267 661 HB2 ASN 78 HB2 ASN 78 13.252 6.489 3.351 662 HB3 ASN 78 HB3 ASN 78 14.230 7.720 4.086 663 HD21 ASN 78 HD21 ASN 78 14.429 4.849 2.422 664 HD22 ASN 78 HD22 ASN 78 16.066 4.388 2.927 665 H LYS 79 HN LYS 79 11.222 6.461 4.191 666 HA LYS 79 HA LYS 79 9.872 8.168 6.197 667 HB2 LYS 79 HB2 LYS 79 11.375 9.467 4.402 668 HB3 LYS 79 HB3 LYS 79 9.992 9.138 3.344 669 HG2 LYS 79 HG2 LYS 79 8.505 10.289 4.943 670 HG3 LYS 79 HG3 LYS 79 9.875 10.519 6.052 671 HD2 LYS 79 HD2 LYS 79 11.010 11.924 4.304 672 HD3 LYS 79 HD3 LYS 79 9.570 11.733 3.276 673 HE2 LYS 79 HE2 LYS 79 8.187 12.672 5.188 674 HE3 LYS 79 HE3 LYS 79 9.697 13.020 6.036 675 HZ1 LYS 79 HZ1 LYS 79 8.842 14.921 4.864 676 HZ2 LYS 79 HZ2 LYS 79 8.921 14.152 3.408 677 HZ3 LYS 79 HZ3 LYS 79 10.311 14.508 4.284 678 H ILE 80 HN ILE 80 7.562 8.580 5.587 679 HA ILE 80 HA ILE 80 6.412 6.527 3.822 680 HB ILE 80 HB ILE 80 5.638 7.024 6.737 681 HG12 ILE 80 HG12 ILE 80 6.945 4.651 5.339 682 HG13 ILE 80 HG13 ILE 80 7.623 5.641 6.637 683 HG21 ILE 80 HG21 ILE 80 3.922 5.313 6.442 684 HG22 ILE 80 HG22 ILE 80 3.666 6.578 5.271 685 HG23 ILE 80 HG23 ILE 80 4.431 5.055 4.756 686 HD11 ILE 80 HD11 ILE 80 5.760 4.767 8.137 687 HD12 ILE 80 HD12 ILE 80 5.410 3.581 6.858 688 HD13 ILE 80 HD13 ILE 80 6.993 3.592 7.644 689 H ALA 81 HN ALA 81 4.454 7.234 2.882 690 HA ALA 81 HA ALA 81 2.983 9.467 3.872 691 HB1 ALA 81 HB1 ALA 81 4.109 9.731 1.032 692 HB2 ALA 81 HB2 ALA 81 2.962 10.826 1.823 693 HB3 ALA 81 HB3 ALA 81 4.619 10.703 2.411 694 H ILE 82 HN ILE 82 1.074 9.753 2.019 695 HA ILE 82 HA ILE 82 0.257 7.149 0.917 696 HB ILE 82 HB ILE 82 -1.086 8.930 2.903 697 HG12 ILE 82 HG12 ILE 82 0.210 6.924 3.671 698 HG13 ILE 82 HG13 ILE 82 -1.437 6.995 4.210 699 HG21 ILE 82 HG21 ILE 82 -3.237 7.770 2.644 700 HG22 ILE 82 HG22 ILE 82 -2.828 8.808 1.281 701 HG23 ILE 82 HG23 ILE 82 -2.646 7.051 1.126 702 HD11 ILE 82 HD11 ILE 82 -2.140 5.212 2.846 703 HD12 ILE 82 HD12 ILE 82 -0.711 5.355 1.777 704 HD13 ILE 82 HD13 ILE 82 -0.550 4.711 3.409 705 H LEU 83 HN LEU 83 -1.590 7.675 -0.786 706 HA LEU 83 HA LEU 83 -1.472 10.398 -1.826 707 HB2 LEU 83 HB2 LEU 83 0.407 8.905 -2.734 708 HB3 LEU 83 HB3 LEU 83 -0.824 7.875 -3.406 709 HG LEU 83 HG LEU 83 0.424 9.428 -4.906 710 HD11 LEU 83 HD11 LEU 83 -2.161 8.555 -5.178 711 HD12 LEU 83 HD12 LEU 83 -1.128 9.209 -6.432 712 HD13 LEU 83 HD13 LEU 83 -2.256 10.286 -5.599 713 HD21 LEU 83 HD21 LEU 83 0.392 11.434 -3.432 714 HD22 LEU 83 HD22 LEU 83 -1.347 11.618 -3.732 715 HD23 LEU 83 HD23 LEU 83 -0.196 11.800 -5.060 716 H GLU 84 HN GLU 84 -3.245 10.251 -3.886 717 HA GLU 84 HA GLU 84 -5.259 8.286 -3.334 718 HB2 GLU 84 HB2 GLU 84 -5.527 10.390 -1.726 719 HB3 GLU 84 HB3 GLU 84 -5.969 11.242 -3.206 720 HG2 GLU 84 HG2 GLU 84 -7.874 9.405 -3.340 721 HG3 GLU 84 HG3 GLU 84 -7.456 9.125 -1.667 722 H GLU 85 HN GLU 85 -6.797 8.092 -5.064 723 HA GLU 85 HA GLU 85 -5.969 9.266 -7.603 724 HB2 GLU 85 HB2 GLU 85 -6.663 6.969 -7.475 725 HB3 GLU 85 HB3 GLU 85 -8.254 7.432 -6.794 726 HG2 GLU 85 HG2 GLU 85 -8.866 8.479 -8.867 727 HG3 GLU 85 HG3 GLU 85 -7.258 8.192 -9.558 728 H TYR 86 HN TYR 86 -7.133 10.826 -8.810 729 HA TYR 86 HA TYR 86 -9.606 11.946 -7.834 730 HB2 TYR 86 HB2 TYR 86 -8.701 14.263 -7.843 731 HB3 TYR 86 HB3 TYR 86 -8.162 13.295 -6.492 732 HD1 TYR 86 HD1 TYR 86 -7.155 14.898 -9.680 733 HD2 TYR 86 HD2 TYR 86 -5.797 12.708 -6.215 734 HE1 TYR 86 HE1 TYR 86 -4.845 15.464 -10.252 735 HE2 TYR 86 HE2 TYR 86 -3.459 13.281 -6.758 736 HH TYR 86 HH TYR 86 -2.647 15.431 -9.532 737 H GLN 87 HN GLN 87 -10.745 12.796 -9.477 738 HA GLN 87 HA GLN 87 -9.851 13.556 -12.029 739 HB2 GLN 87 HB2 GLN 87 -10.757 11.663 -13.324 740 HB3 GLN 87 HB3 GLN 87 -9.348 11.220 -12.393 741 HG2 GLN 87 HG2 GLN 87 -11.642 10.728 -10.731 742 HG3 GLN 87 HG3 GLN 87 -12.036 10.164 -12.343 743 HE21 GLN 87 HE21 GLN 87 -11.620 8.752 -9.818 744 HE22 GLN 87 HE22 GLN 87 -10.420 7.515 -10.149 Start of MODEL 17 1 H1 GLY 1 HN GLY 1 -15.403 -11.137 5.353 2 HA2 GLY 1 HA1 GLY 1 -14.789 -9.634 7.160 3 HA3 GLY 1 HA2 GLY 1 -15.289 -10.892 8.307 4 H GLU 2 HN GLU 2 -12.564 -9.585 6.663 5 HA GLU 2 HA GLU 2 -10.845 -11.608 7.640 6 HB2 GLU 2 HB2 GLU 2 -12.030 -12.178 5.090 7 HB3 GLU 2 HB3 GLU 2 -10.388 -11.647 4.731 8 HG2 GLU 2 HG2 GLU 2 -9.426 -13.334 6.125 9 HG3 GLU 2 HG3 GLU 2 -10.973 -13.703 6.902 10 H GLU 3 HN GLU 3 -8.576 -11.213 6.498 11 HA GLU 3 HA GLU 3 -7.797 -8.541 7.123 12 HB2 GLU 3 HB2 GLU 3 -6.491 -11.018 5.955 13 HB3 GLU 3 HB3 GLU 3 -5.629 -9.492 5.872 14 HG2 GLU 3 HG2 GLU 3 -4.974 -10.682 7.828 15 HG3 GLU 3 HG3 GLU 3 -5.740 -9.178 8.263 16 H THR 4 HN THR 4 -7.980 -10.306 4.023 17 HA THR 4 HA THR 4 -8.358 -7.970 2.384 18 HB THR 4 HB THR 4 -6.094 -9.208 1.178 19 HG1 THR 4 HG1 THR 4 -5.319 -10.033 3.069 20 HG21 THR 4 HG21 THR 4 -6.281 -6.604 2.799 21 HG22 THR 4 HG22 THR 4 -6.670 -6.772 1.089 22 HG23 THR 4 HG23 THR 4 -5.001 -6.995 1.647 23 HA PRO 5 HA PRO 5 -10.189 -11.359 0.112 24 HB2 PRO 5 HB2 PRO 5 -10.045 -10.690 -2.514 25 HB3 PRO 5 HB3 PRO 5 -11.016 -9.718 -1.339 26 HG2 PRO 5 HG2 PRO 5 -8.190 -9.155 -2.322 27 HG3 PRO 5 HG3 PRO 5 -9.557 -8.042 -2.256 28 HD2 PRO 5 HD2 PRO 5 -7.691 -8.143 -0.285 29 HD3 PRO 5 HD3 PRO 5 -9.423 -7.866 0.111 30 H LEU 6 HN LEU 6 -8.730 -13.048 0.697 31 HA LEU 6 HA LEU 6 -6.913 -13.897 -1.456 32 HB2 LEU 6 HB2 LEU 6 -5.256 -14.469 0.180 33 HB3 LEU 6 HB3 LEU 6 -5.440 -12.770 -0.022 34 HG LEU 6 HG LEU 6 -7.096 -13.688 2.224 35 HD11 LEU 6 HD11 LEU 6 -4.135 -14.402 2.513 36 HD12 LEU 6 HD12 LEU 6 -5.434 -15.580 2.321 37 HD13 LEU 6 HD13 LEU 6 -5.435 -14.553 3.743 38 HD21 LEU 6 HD21 LEU 6 -5.836 -12.027 3.454 39 HD22 LEU 6 HD22 LEU 6 -6.166 -11.422 1.815 40 HD23 LEU 6 HD23 LEU 6 -4.546 -12.017 2.207 41 H VAL 7 HN VAL 7 -8.997 -15.189 -1.768 42 HA VAL 7 HA VAL 7 -9.469 -17.438 -0.095 43 HB VAL 7 HB VAL 7 -10.272 -18.553 -2.185 44 HG11 VAL 7 HG11 VAL 7 -11.836 -17.364 -0.828 45 HG12 VAL 7 HG12 VAL 7 -11.346 -15.798 -1.477 46 HG13 VAL 7 HG13 VAL 7 -12.196 -16.948 -2.516 47 HG21 VAL 7 HG21 VAL 7 -9.581 -15.937 -3.586 48 HG22 VAL 7 HG22 VAL 7 -8.806 -17.510 -3.858 49 HG23 VAL 7 HG23 VAL 7 -10.505 -17.289 -4.256 50 H THR 8 HN THR 8 -6.628 -16.791 -2.008 51 HA THR 8 HA THR 8 -5.484 -19.366 -1.290 52 HB THR 8 HB THR 8 -7.071 -19.759 -3.256 53 HG1 THR 8 HG1 THR 8 -5.585 -21.220 -2.660 54 HG21 THR 8 HG21 THR 8 -6.401 -19.319 -5.466 55 HG22 THR 8 HG22 THR 8 -4.895 -18.542 -4.978 56 HG23 THR 8 HG23 THR 8 -6.461 -17.773 -4.621 57 H ALA 9 HN ALA 9 -4.834 -16.575 -0.807 58 HA ALA 9 HA ALA 9 -2.176 -16.381 -2.112 59 HB1 ALA 9 HB1 ALA 9 -2.550 -13.986 -2.526 60 HB2 ALA 9 HB2 ALA 9 -3.678 -14.980 -3.461 61 HB3 ALA 9 HB3 ALA 9 -4.233 -14.133 -1.999 62 H ARG 10 HN ARG 10 -1.674 -17.348 -0.031 63 HA ARG 10 HA ARG 10 -1.584 -15.442 2.250 64 HB2 ARG 10 HB2 ARG 10 -0.343 -18.222 2.003 65 HB3 ARG 10 HB3 ARG 10 -0.401 -17.211 3.438 66 HG2 ARG 10 HG2 ARG 10 -3.098 -17.412 2.847 67 HG3 ARG 10 HG3 ARG 10 -2.486 -18.971 2.254 68 HD2 ARG 10 HD2 ARG 10 -1.332 -19.219 4.540 69 HD3 ARG 10 HD3 ARG 10 -2.239 -17.779 5.049 70 HE ARG 10 HE ARG 10 -3.715 -20.103 3.943 71 HH11 ARG 10 HH11 ARG 10 -3.137 -18.017 6.790 72 HH12 ARG 10 HH12 ARG 10 -4.380 -18.739 7.727 73 HH21 ARG 10 HH21 ARG 10 -5.342 -21.025 5.196 74 HH22 ARG 10 HH22 ARG 10 -5.608 -20.552 6.834 75 H HIS 11 HN HIS 11 0.847 -15.449 3.129 76 HA HIS 11 HA HIS 11 2.896 -14.585 2.933 77 HB2 HIS 11 HB2 HIS 11 2.846 -16.716 0.875 78 HB3 HIS 11 HB3 HIS 11 4.097 -15.519 0.652 79 HD1 HIS 11 HD1 HIS 11 6.237 -16.490 1.560 80 HD2 HIS 11 HD2 HIS 11 2.857 -17.233 3.980 81 HE1 HIS 11 HE1 HIS 11 7.069 -17.796 3.597 82 H MET 12 HN MET 12 1.689 -12.597 2.759 83 HA MET 12 HA MET 12 1.771 -11.083 0.274 84 HB2 MET 12 HB2 MET 12 1.546 -10.237 3.209 85 HB3 MET 12 HB3 MET 12 1.274 -9.204 1.811 86 HG2 MET 12 HG2 MET 12 -0.644 -10.454 1.108 87 HG3 MET 12 HG3 MET 12 -0.356 -11.694 2.326 88 HE1 MET 12 HE1 MET 12 -2.501 -8.735 1.462 89 HE2 MET 12 HE2 MET 12 -2.543 -7.720 2.923 90 HE3 MET 12 HE3 MET 12 -1.055 -7.811 1.943 91 H SER 13 HN SER 13 3.293 -9.360 -0.094 92 HA SER 13 HA SER 13 6.010 -9.989 0.476 93 HB2 SER 13 HB2 SER 13 4.789 -8.478 -1.426 94 HB3 SER 13 HB3 SER 13 5.302 -7.190 -0.348 95 HG SER 13 HG SER 13 6.946 -9.201 -1.513 96 H LYS 14 HN LYS 14 7.554 -8.583 1.514 97 HA LYS 14 HA LYS 14 7.351 -8.090 4.153 98 HB2 LYS 14 HB2 LYS 14 9.425 -7.958 2.717 99 HB3 LYS 14 HB3 LYS 14 8.939 -6.351 2.207 100 HG2 LYS 14 HG2 LYS 14 10.477 -5.848 3.823 101 HG3 LYS 14 HG3 LYS 14 9.003 -5.767 4.773 102 HD2 LYS 14 HD2 LYS 14 9.504 -8.220 5.464 103 HD3 LYS 14 HD3 LYS 14 11.067 -8.019 4.631 104 HE2 LYS 14 HE2 LYS 14 11.248 -5.843 6.139 105 HE3 LYS 14 HE3 LYS 14 10.002 -6.597 7.102 106 HZ1 LYS 14 HZ1 LYS 14 12.227 -7.079 7.902 107 HZ2 LYS 14 HZ2 LYS 14 12.620 -7.855 6.523 108 HZ3 LYS 14 HZ3 LYS 14 11.461 -8.465 7.522 109 H TRP 15 HN TRP 15 6.689 -5.585 1.711 110 HA TRP 15 HA TRP 15 5.763 -3.722 3.811 111 HB2 TRP 15 HB2 TRP 15 6.305 -3.232 0.869 112 HB3 TRP 15 HB3 TRP 15 6.014 -2.017 2.106 113 HD1 TRP 15 HD1 TRP 15 8.733 -4.008 0.535 114 HE1 TRP 15 HE1 TRP 15 11.004 -3.534 1.632 115 HE3 TRP 15 HE3 TRP 15 7.123 -1.364 4.631 116 HZ2 TRP 15 HZ2 TRP 15 11.958 -2.196 4.034 117 HZ3 TRP 15 HZ3 TRP 15 8.695 -0.687 6.362 118 HH2 TRP 15 HH2 TRP 15 11.146 -1.086 6.088 119 H GLU 16 HN GLU 16 4.175 -6.094 2.118 120 HA GLU 16 HA GLU 16 2.137 -4.582 0.782 121 HB2 GLU 16 HB2 GLU 16 2.554 -7.455 1.518 122 HB3 GLU 16 HB3 GLU 16 0.894 -6.934 1.324 123 HG2 GLU 16 HG2 GLU 16 1.495 -5.992 -0.922 124 HG3 GLU 16 HG3 GLU 16 3.074 -6.787 -0.753 125 H GLU 17 HN GLU 17 2.135 -6.352 3.915 126 HA GLU 17 HA GLU 17 -0.477 -5.510 4.679 127 HB2 GLU 17 HB2 GLU 17 1.784 -7.032 5.808 128 HB3 GLU 17 HB3 GLU 17 1.074 -6.002 7.019 129 HG2 GLU 17 HG2 GLU 17 -1.115 -7.268 5.608 130 HG3 GLU 17 HG3 GLU 17 0.093 -8.511 5.989 131 H ILE 18 HN ILE 18 2.732 -4.105 5.187 132 HA ILE 18 HA ILE 18 1.970 -2.118 7.084 133 HB ILE 18 HB ILE 18 4.273 -1.944 5.122 134 HG12 ILE 18 HG12 ILE 18 4.302 -3.193 7.908 135 HG13 ILE 18 HG13 ILE 18 4.257 -4.146 6.428 136 HG21 ILE 18 HG21 ILE 18 3.698 -0.713 7.865 137 HG22 ILE 18 HG22 ILE 18 5.253 -0.589 7.048 138 HG23 ILE 18 HG23 ILE 18 3.813 0.147 6.318 139 HD11 ILE 18 HD11 ILE 18 6.528 -4.114 7.153 140 HD12 ILE 18 HD12 ILE 18 6.395 -3.170 5.692 141 HD13 ILE 18 HD13 ILE 18 6.551 -2.349 7.259 142 H ALA 19 HN ALA 19 1.939 -2.077 3.500 143 HA ALA 19 HA ALA 19 0.950 0.617 3.401 144 HB1 ALA 19 HB1 ALA 19 1.829 -0.394 1.424 145 HB2 ALA 19 HB2 ALA 19 0.600 -1.687 1.454 146 HB3 ALA 19 HB3 ALA 19 0.123 -0.008 1.127 147 H VAL 20 HN VAL 20 -0.744 -2.484 3.983 148 HA VAL 20 HA VAL 20 -3.335 -1.358 3.285 149 HB VAL 20 HB VAL 20 -2.497 -4.004 4.540 150 HG11 VAL 20 HG11 VAL 20 -4.723 -3.588 5.368 151 HG12 VAL 20 HG12 VAL 20 -5.295 -3.025 3.786 152 HG13 VAL 20 HG13 VAL 20 -4.876 -4.727 4.034 153 HG21 VAL 20 HG21 VAL 20 -1.994 -3.597 2.100 154 HG22 VAL 20 HG22 VAL 20 -3.109 -4.947 2.404 155 HG23 VAL 20 HG23 VAL 20 -3.739 -3.387 1.833 156 H LYS 21 HN LYS 21 -1.522 -1.988 6.415 157 HA LYS 21 HA LYS 21 -3.721 -1.343 8.042 158 HB2 LYS 21 HB2 LYS 21 -2.043 -0.849 9.811 159 HB3 LYS 21 HB3 LYS 21 -1.907 -2.441 9.037 160 HG2 LYS 21 HG2 LYS 21 -0.200 -1.511 7.540 161 HG3 LYS 21 HG3 LYS 21 -0.255 0.027 8.369 162 HD2 LYS 21 HD2 LYS 21 1.623 -1.066 9.102 163 HD3 LYS 21 HD3 LYS 21 0.500 -1.135 10.454 164 HE2 LYS 21 HE2 LYS 21 0.574 -3.476 8.526 165 HE3 LYS 21 HE3 LYS 21 1.985 -3.225 9.566 166 HZ1 LYS 21 HZ1 LYS 21 0.461 -4.701 10.573 167 HZ2 LYS 21 HZ2 LYS 21 -0.773 -3.656 10.541 168 HZ3 LYS 21 HZ3 LYS 21 0.545 -3.324 11.486 169 H GLU 22 HN GLU 22 -1.254 0.759 6.510 170 HA GLU 22 HA GLU 22 -2.165 3.147 7.719 171 HB2 GLU 22 HB2 GLU 22 -0.723 2.730 5.084 172 HB3 GLU 22 HB3 GLU 22 -0.912 4.282 5.940 173 HG2 GLU 22 HG2 GLU 22 0.488 1.866 7.083 174 HG3 GLU 22 HG3 GLU 22 1.345 3.118 6.254 175 H ALA 23 HN ALA 23 -2.924 1.639 4.547 176 HA ALA 23 HA ALA 23 -4.703 3.627 3.612 177 HB1 ALA 23 HB1 ALA 23 -4.706 0.631 3.046 178 HB2 ALA 23 HB2 ALA 23 -5.519 1.882 2.084 179 HB3 ALA 23 HB3 ALA 23 -3.748 1.859 2.182 180 H LYS 24 HN LYS 24 -5.347 0.837 5.829 181 HA LYS 24 HA LYS 24 -8.211 1.458 5.730 182 HB2 LYS 24 HB2 LYS 24 -8.663 -0.339 6.990 183 HB3 LYS 24 HB3 LYS 24 -7.280 -0.840 6.040 184 HG2 LYS 24 HG2 LYS 24 -5.847 -0.308 8.083 185 HG3 LYS 24 HG3 LYS 24 -7.359 0.010 8.930 186 HD2 LYS 24 HD2 LYS 24 -6.619 -2.242 9.475 187 HD3 LYS 24 HD3 LYS 24 -8.062 -2.387 8.434 188 HE2 LYS 24 HE2 LYS 24 -6.656 -2.867 6.485 189 HE3 LYS 24 HE3 LYS 24 -5.195 -2.450 7.368 190 HZ1 LYS 24 HZ1 LYS 24 -5.717 -4.411 8.820 191 HZ2 LYS 24 HZ2 LYS 24 -5.296 -4.758 7.304 192 HZ3 LYS 24 HZ3 LYS 24 -6.888 -4.833 7.727 193 H LYS 25 HN LYS 25 -5.574 2.325 7.991 194 HA LYS 25 HA LYS 25 -7.552 3.358 9.821 195 HB2 LYS 25 HB2 LYS 25 -5.730 4.249 11.117 196 HB3 LYS 25 HB3 LYS 25 -5.522 2.563 10.688 197 HG2 LYS 25 HG2 LYS 25 -3.435 3.146 10.317 198 HG3 LYS 25 HG3 LYS 25 -4.034 3.624 8.741 199 HD2 LYS 25 HD2 LYS 25 -4.061 6.001 9.433 200 HD3 LYS 25 HD3 LYS 25 -3.603 5.525 11.083 201 HE2 LYS 25 HE2 LYS 25 -1.578 4.354 10.152 202 HE3 LYS 25 HE3 LYS 25 -2.003 4.954 8.550 203 HZ1 LYS 25 HZ1 LYS 25 -0.311 6.198 9.582 204 HZ2 LYS 25 HZ2 LYS 25 -1.249 6.648 10.828 205 HZ3 LYS 25 HZ3 LYS 25 -1.598 7.211 9.320 206 H ARG 26 HN ARG 26 -5.548 4.957 7.376 207 HA ARG 26 HA ARG 26 -6.206 7.603 8.261 208 HB2 ARG 26 HB2 ARG 26 -4.157 6.964 7.004 209 HB3 ARG 26 HB3 ARG 26 -5.121 6.687 5.559 210 HG2 ARG 26 HG2 ARG 26 -5.300 8.897 5.080 211 HG3 ARG 26 HG3 ARG 26 -5.496 9.384 6.767 212 HD2 ARG 26 HD2 ARG 26 -3.229 9.425 7.223 213 HD3 ARG 26 HD3 ARG 26 -2.807 8.537 5.754 214 HE ARG 26 HE ARG 26 -4.034 10.763 4.762 215 HH11 ARG 26 HH11 ARG 26 -1.287 10.304 6.970 216 HH12 ARG 26 HH12 ARG 26 -0.395 11.648 6.312 217 HH21 ARG 26 HH21 ARG 26 -2.849 12.510 3.976 218 HH22 ARG 26 HH22 ARG 26 -1.343 13.014 4.684 219 H TYR 27 HN TYR 27 -8.463 5.543 7.064 220 HA TYR 27 HA TYR 27 -9.961 7.682 5.683 221 HB2 TYR 27 HB2 TYR 27 -9.567 4.832 4.703 222 HB3 TYR 27 HB3 TYR 27 -10.811 5.933 4.117 223 HD1 TYR 27 HD1 TYR 27 -7.144 5.419 4.347 224 HD2 TYR 27 HD2 TYR 27 -10.312 7.683 2.527 225 HE1 TYR 27 HE1 TYR 27 -5.544 6.296 2.723 226 HE2 TYR 27 HE2 TYR 27 -8.694 8.713 0.991 227 HH TYR 27 HH TYR 27 -6.457 8.729 0.250 228 HA PRO 28 HA PRO 28 -12.309 5.628 9.086 229 HB2 PRO 28 HB2 PRO 28 -13.372 7.983 10.110 230 HB3 PRO 28 HB3 PRO 28 -11.841 7.230 10.631 231 HG2 PRO 28 HG2 PRO 28 -12.230 9.637 8.909 232 HG3 PRO 28 HG3 PRO 28 -10.842 9.155 9.940 233 HD2 PRO 28 HD2 PRO 28 -10.996 8.933 7.158 234 HD3 PRO 28 HD3 PRO 28 -9.770 8.231 8.252 235 H LEU 29 HN LEU 29 -13.045 7.788 6.482 236 HA LEU 29 HA LEU 29 -15.954 7.446 6.618 237 HB2 LEU 29 HB2 LEU 29 -14.048 8.908 4.753 238 HB3 LEU 29 HB3 LEU 29 -15.766 8.744 4.411 239 HG LEU 29 HG LEU 29 -16.402 9.916 6.428 240 HD11 LEU 29 HD11 LEU 29 -14.626 9.452 7.996 241 HD12 LEU 29 HD12 LEU 29 -14.681 11.193 7.738 242 HD13 LEU 29 HD13 LEU 29 -13.416 10.242 6.938 243 HD21 LEU 29 HD21 LEU 29 -15.875 11.121 4.281 244 HD22 LEU 29 HD22 LEU 29 -14.257 11.460 4.911 245 HD23 LEU 29 HD23 LEU 29 -15.666 12.130 5.744 246 H ALA 30 HN ALA 30 -13.646 5.218 5.731 247 HA ALA 30 HA ALA 30 -15.370 3.905 3.822 248 HB1 ALA 30 HB1 ALA 30 -13.737 3.828 2.009 249 HB2 ALA 30 HB2 ALA 30 -14.132 5.510 2.360 250 HB3 ALA 30 HB3 ALA 30 -12.593 4.837 2.940 251 H GLN 31 HN GLN 31 -13.995 1.860 2.974 252 HA GLN 31 HA GLN 31 -12.315 0.749 5.166 253 HB2 GLN 31 HB2 GLN 31 -14.701 -0.605 3.782 254 HB3 GLN 31 HB3 GLN 31 -13.519 -1.430 4.802 255 HG2 GLN 31 HG2 GLN 31 -14.718 -0.898 6.595 256 HG3 GLN 31 HG3 GLN 31 -14.220 0.769 6.310 257 HE21 GLN 31 HE21 GLN 31 -15.919 1.368 3.985 258 HE22 GLN 31 HE22 GLN 31 -17.536 1.422 4.667 259 H VAL 32 HN VAL 32 -10.881 -0.978 4.436 260 HA VAL 32 HA VAL 32 -10.170 -0.569 1.577 261 HB VAL 32 HB VAL 32 -8.609 -1.898 3.860 262 HG11 VAL 32 HG11 VAL 32 -7.885 -1.454 0.940 263 HG12 VAL 32 HG12 VAL 32 -6.675 -1.807 2.199 264 HG13 VAL 32 HG13 VAL 32 -7.915 -2.998 1.810 265 HG21 VAL 32 HG21 VAL 32 -8.766 0.607 3.939 266 HG22 VAL 32 HG22 VAL 32 -7.126 -0.067 3.783 267 HG23 VAL 32 HG23 VAL 32 -7.916 0.654 2.393 268 H LEU 33 HN LEU 33 -10.945 -2.387 0.193 269 HA LEU 33 HA LEU 33 -10.986 -5.148 1.338 270 HB2 LEU 33 HB2 LEU 33 -12.948 -5.376 -0.378 271 HB3 LEU 33 HB3 LEU 33 -13.220 -4.711 1.151 272 HG LEU 33 HG LEU 33 -14.455 -3.663 -0.441 273 HD11 LEU 33 HD11 LEU 33 -13.315 -1.227 0.392 274 HD12 LEU 33 HD12 LEU 33 -13.116 -2.375 1.752 275 HD13 LEU 33 HD13 LEU 33 -14.688 -2.124 1.106 276 HD21 LEU 33 HD21 LEU 33 -13.522 -2.257 -2.032 277 HD22 LEU 33 HD22 LEU 33 -12.881 -3.932 -2.025 278 HD23 LEU 33 HD23 LEU 33 -11.893 -2.619 -1.378 279 H PHE 34 HN PHE 34 -9.456 -3.335 -0.782 280 HA PHE 34 HA PHE 34 -8.911 -5.616 -2.690 281 HB2 PHE 34 HB2 PHE 34 -9.854 -2.884 -3.062 282 HB3 PHE 34 HB3 PHE 34 -8.345 -3.119 -3.936 283 HD1 PHE 34 HD1 PHE 34 -8.195 -5.374 -5.368 284 HD2 PHE 34 HD2 PHE 34 -11.857 -3.450 -4.126 285 HE1 PHE 34 HE1 PHE 34 -9.369 -6.362 -7.316 286 HE2 PHE 34 HE2 PHE 34 -13.036 -4.438 -6.074 287 HZ PHE 34 HZ PHE 34 -11.780 -5.847 -7.689 288 H LYS 35 HN LYS 35 -6.768 -5.920 -3.422 289 HA LYS 35 HA LYS 35 -4.694 -4.279 -2.098 290 HB2 LYS 35 HB2 LYS 35 -5.581 -6.536 -0.992 291 HB3 LYS 35 HB3 LYS 35 -4.516 -7.297 -2.138 292 HG2 LYS 35 HG2 LYS 35 -3.864 -5.284 0.033 293 HG3 LYS 35 HG3 LYS 35 -3.397 -6.986 -0.021 294 HD2 LYS 35 HD2 LYS 35 -1.847 -6.524 -1.893 295 HD3 LYS 35 HD3 LYS 35 -2.321 -4.803 -1.866 296 HE2 LYS 35 HE2 LYS 35 -1.762 -5.581 0.835 297 HE3 LYS 35 HE3 LYS 35 -0.479 -6.271 -0.137 298 HZ1 LYS 35 HZ1 LYS 35 -1.276 -3.438 -0.275 299 HZ2 LYS 35 HZ2 LYS 35 0.099 -4.110 -0.902 300 HZ3 LYS 35 HZ3 LYS 35 -0.117 -3.985 0.742 301 H GLN 36 HN GLN 36 -4.469 -3.333 -4.292 302 HA GLN 36 HA GLN 36 -3.742 -5.233 -6.414 303 HB2 GLN 36 HB2 GLN 36 -5.481 -3.355 -6.588 304 HB3 GLN 36 HB3 GLN 36 -4.127 -2.236 -6.724 305 HG2 GLN 36 HG2 GLN 36 -4.042 -4.592 -8.552 306 HG3 GLN 36 HG3 GLN 36 -5.469 -3.588 -8.755 307 HE21 GLN 36 HE21 GLN 36 -2.934 -4.115 -10.442 308 HE22 GLN 36 HE22 GLN 36 -2.449 -2.498 -10.887 309 H LYS 37 HN LYS 37 -1.888 -4.518 -7.844 310 HA LYS 37 HA LYS 37 0.431 -4.086 -6.055 311 HB2 LYS 37 HB2 LYS 37 -0.059 -6.285 -7.341 312 HB3 LYS 37 HB3 LYS 37 0.402 -5.415 -8.811 313 HG2 LYS 37 HG2 LYS 37 2.675 -5.144 -8.022 314 HG3 LYS 37 HG3 LYS 37 2.203 -5.544 -6.360 315 HD2 LYS 37 HD2 LYS 37 3.311 -7.451 -7.156 316 HD3 LYS 37 HD3 LYS 37 1.592 -7.861 -7.144 317 HE2 LYS 37 HE2 LYS 37 1.514 -7.436 -9.616 318 HE3 LYS 37 HE3 LYS 37 3.240 -7.053 -9.564 319 HZ1 LYS 37 HZ1 LYS 37 3.252 -9.259 -10.153 320 HZ2 LYS 37 HZ2 LYS 37 1.959 -9.681 -9.233 321 HZ3 LYS 37 HZ3 LYS 37 3.425 -9.399 -8.543 322 H VAL 38 HN VAL 38 2.385 -2.947 -7.139 323 HA VAL 38 HA VAL 38 1.747 -1.186 -9.367 324 HB VAL 38 HB VAL 38 2.755 0.126 -6.826 325 HG11 VAL 38 HG11 VAL 38 1.209 1.165 -9.266 326 HG12 VAL 38 HG12 VAL 38 1.734 2.144 -7.882 327 HG13 VAL 38 HG13 VAL 38 2.934 1.432 -8.935 328 HG21 VAL 38 HG21 VAL 38 0.492 -0.784 -6.204 329 HG22 VAL 38 HG22 VAL 38 0.569 0.971 -6.244 330 HG23 VAL 38 HG23 VAL 38 -0.198 0.085 -7.581 331 H TRP 39 HN TRP 39 3.751 0.104 -9.880 332 HA TRP 39 HA TRP 39 5.983 -1.334 -10.580 333 HB2 TRP 39 HB2 TRP 39 5.172 0.765 -11.548 334 HB3 TRP 39 HB3 TRP 39 5.538 1.635 -10.081 335 HD1 TRP 39 HD1 TRP 39 7.310 -0.026 -13.053 336 HE1 TRP 39 HE1 TRP 39 9.477 1.291 -13.532 337 HE3 TRP 39 HE3 TRP 39 7.439 2.983 -8.907 338 HZ2 TRP 39 HZ2 TRP 39 11.062 3.272 -12.299 339 HZ3 TRP 39 HZ3 TRP 39 9.333 4.532 -8.558 340 HH2 TRP 39 HH2 TRP 39 11.135 4.726 -10.235 341 H ASP 40 HN ASP 40 6.753 -2.573 -8.696 342 HA ASP 40 HA ASP 40 8.128 -1.102 -6.583 343 HB2 ASP 40 HB2 ASP 40 9.000 -3.295 -5.974 344 HB3 ASP 40 HB3 ASP 40 7.233 -3.236 -5.985 345 H ARG 41 HN ARG 41 10.154 -0.276 -6.839 346 HA ARG 41 HA ARG 41 11.996 -1.423 -8.809 347 HB2 ARG 41 HB2 ARG 41 10.525 0.220 -10.015 348 HB3 ARG 41 HB3 ARG 41 11.097 1.499 -8.958 349 HG2 ARG 41 HG2 ARG 41 13.100 -0.133 -10.555 350 HG3 ARG 41 HG3 ARG 41 12.090 1.055 -11.381 351 HD2 ARG 41 HD2 ARG 41 12.848 2.821 -9.836 352 HD3 ARG 41 HD3 ARG 41 13.964 1.708 -9.073 353 HE ARG 41 HE ARG 41 14.302 3.230 -11.438 354 HH11 ARG 41 HH11 ARG 41 15.275 -0.021 -10.236 355 HH12 ARG 41 HH12 ARG 41 16.799 0.049 -11.002 356 HH21 ARG 41 HH21 ARG 41 16.192 3.075 -12.709 357 HH22 ARG 41 HH22 ARG 41 17.350 1.826 -12.405 358 H LYS 42 HN LYS 42 14.217 -0.722 -8.314 359 HA LYS 42 HA LYS 42 14.425 0.291 -5.523 360 HB2 LYS 42 HB2 LYS 42 14.817 -2.093 -5.936 361 HB3 LYS 42 HB3 LYS 42 16.263 -1.665 -6.876 362 HG2 LYS 42 HG2 LYS 42 17.303 -0.747 -4.940 363 HG3 LYS 42 HG3 LYS 42 15.811 -0.716 -4.014 364 HD2 LYS 42 HD2 LYS 42 16.708 -3.388 -5.028 365 HD3 LYS 42 HD3 LYS 42 17.698 -2.621 -3.806 366 HE2 LYS 42 HE2 LYS 42 16.215 -4.012 -2.623 367 HE3 LYS 42 HE3 LYS 42 15.672 -2.362 -2.345 368 HZ1 LYS 42 HZ1 LYS 42 13.861 -2.748 -3.892 369 HZ2 LYS 42 HZ2 LYS 42 13.903 -3.979 -2.799 370 HZ3 LYS 42 HZ3 LYS 42 14.481 -4.224 -4.309 371 H ARG 43 HN ARG 43 16.353 1.476 -4.948 372 HA ARG 43 HA ARG 43 17.471 3.141 -7.126 373 HB2 ARG 43 HB2 ARG 43 15.884 4.295 -5.863 374 HB3 ARG 43 HB3 ARG 43 16.563 3.798 -4.331 375 HG2 ARG 43 HG2 ARG 43 18.291 5.230 -4.385 376 HG3 ARG 43 HG3 ARG 43 18.442 5.176 -6.168 377 HD2 ARG 43 HD2 ARG 43 16.437 6.415 -6.482 378 HD3 ARG 43 HD3 ARG 43 16.173 6.567 -4.720 379 HE ARG 43 HE ARG 43 18.627 7.627 -4.888 380 HH11 ARG 43 HH11 ARG 43 15.661 8.520 -6.664 381 HH12 ARG 43 HH12 ARG 43 16.327 10.002 -7.239 382 HH21 ARG 43 HH21 ARG 43 19.475 9.425 -5.637 383 HH22 ARG 43 HH22 ARG 43 18.635 10.525 -6.724 384 H LYS 44 HN LYS 44 19.803 3.882 -6.336 385 HA LYS 44 HA LYS 44 21.347 1.551 -5.588 386 HB2 LYS 44 HB2 LYS 44 21.967 4.513 -5.877 387 HB3 LYS 44 HB3 LYS 44 23.173 3.382 -5.280 388 HG2 LYS 44 HG2 LYS 44 21.749 2.993 -7.962 389 HG3 LYS 44 HG3 LYS 44 23.262 3.882 -7.762 390 HD2 LYS 44 HD2 LYS 44 24.214 1.791 -6.634 391 HD3 LYS 44 HD3 LYS 44 22.799 0.917 -7.224 392 HE2 LYS 44 HE2 LYS 44 23.392 1.256 -9.507 393 HE3 LYS 44 HE3 LYS 44 24.478 2.595 -9.103 394 HZ1 LYS 44 HZ1 LYS 44 25.737 0.670 -9.659 395 HZ2 LYS 44 HZ2 LYS 44 25.041 -0.253 -8.519 396 HZ3 LYS 44 HZ3 LYS 44 25.985 1.039 -8.081 397 H ASP 45 HN ASP 45 20.056 4.299 -3.726 398 HA ASP 45 HA ASP 45 21.013 2.990 -1.288 399 HB2 ASP 45 HB2 ASP 45 20.867 5.828 -0.896 400 HB3 ASP 45 HB3 ASP 45 22.146 4.684 -0.649 401 H GLU 46 HN GLU 46 18.287 2.958 -2.621 402 HA GLU 46 HA GLU 46 16.725 3.124 -0.284 403 HB2 GLU 46 HB2 GLU 46 16.712 5.568 -0.896 404 HB3 GLU 46 HB3 GLU 46 15.920 5.176 -2.422 405 HG2 GLU 46 HG2 GLU 46 13.910 4.608 -1.343 406 HG3 GLU 46 HG3 GLU 46 14.691 4.246 0.175 407 H ALA 47 HN ALA 47 14.276 2.617 -1.143 408 HA ALA 47 HA ALA 47 14.111 1.103 -3.627 409 HB1 ALA 47 HB1 ALA 47 13.781 -0.136 -0.871 410 HB2 ALA 47 HB2 ALA 47 13.574 -0.960 -2.436 411 HB3 ALA 47 HB3 ALA 47 15.188 -0.416 -1.891 412 H VAL 48 HN VAL 48 11.912 0.589 -4.125 413 HA VAL 48 HA VAL 48 9.864 1.912 -2.452 414 HB VAL 48 HB VAL 48 10.242 2.241 -5.468 415 HG11 VAL 48 HG11 VAL 48 8.545 3.993 -5.255 416 HG12 VAL 48 HG12 VAL 48 7.923 2.434 -4.704 417 HG13 VAL 48 HG13 VAL 48 8.405 3.667 -3.509 418 HG21 VAL 48 HG21 VAL 48 10.787 4.640 -4.945 419 HG22 VAL 48 HG22 VAL 48 10.906 4.199 -3.229 420 HG23 VAL 48 HG23 VAL 48 12.038 3.510 -4.424 421 H LYS 49 HN LYS 49 8.207 0.637 -2.127 422 HA LYS 49 HA LYS 49 7.225 -1.325 -4.072 423 HB2 LYS 49 HB2 LYS 49 8.281 -2.106 -1.311 424 HB3 LYS 49 HB3 LYS 49 6.958 -2.993 -2.078 425 HG2 LYS 49 HG2 LYS 49 8.273 -3.610 -3.959 426 HG3 LYS 49 HG3 LYS 49 9.615 -2.577 -3.453 427 HD2 LYS 49 HD2 LYS 49 10.330 -4.695 -2.930 428 HD3 LYS 49 HD3 LYS 49 9.823 -4.002 -1.403 429 HE2 LYS 49 HE2 LYS 49 9.054 -6.252 -1.428 430 HE3 LYS 49 HE3 LYS 49 7.610 -5.270 -1.657 431 HZ1 LYS 49 HZ1 LYS 49 7.870 -7.268 -3.104 432 HZ2 LYS 49 HZ2 LYS 49 9.036 -6.491 -3.955 433 HZ3 LYS 49 HZ3 LYS 49 7.492 -5.889 -3.897 434 H GLN 50 HN GLN 50 5.831 0.581 -4.114 435 HA GLN 50 HA GLN 50 4.115 1.127 -1.782 436 HB2 GLN 50 HB2 GLN 50 4.040 2.159 -4.646 437 HB3 GLN 50 HB3 GLN 50 3.105 2.795 -3.318 438 HG2 GLN 50 HG2 GLN 50 5.097 3.594 -2.187 439 HG3 GLN 50 HG3 GLN 50 6.162 2.811 -3.316 440 HE21 GLN 50 HE21 GLN 50 6.165 3.606 -5.632 441 HE22 GLN 50 HE22 GLN 50 5.743 5.286 -5.926 442 H TYR 51 HN TYR 51 1.676 1.086 -2.374 443 HA TYR 51 HA TYR 51 0.927 -1.082 -4.196 444 HB2 TYR 51 HB2 TYR 51 0.054 -1.024 -1.294 445 HB3 TYR 51 HB3 TYR 51 -0.588 -2.095 -2.542 446 HD1 TYR 51 HD1 TYR 51 2.340 -1.312 -0.442 447 HD2 TYR 51 HD2 TYR 51 0.820 -3.900 -3.542 448 HE1 TYR 51 HE1 TYR 51 4.297 -2.705 -0.177 449 HE2 TYR 51 HE2 TYR 51 2.861 -5.314 -3.327 450 HH TYR 51 HH TYR 51 5.546 -4.244 -1.294 451 H HIS 52 HN HIS 52 -1.554 -1.087 -4.350 452 HA HIS 52 HA HIS 52 -2.722 1.608 -4.074 453 HB2 HIS 52 HB2 HIS 52 -1.815 1.327 -6.348 454 HB3 HIS 52 HB3 HIS 52 -2.671 -0.199 -6.530 455 HD1 HIS 52 HD1 HIS 52 -4.593 0.198 -8.122 456 HD2 HIS 52 HD2 HIS 52 -3.789 3.483 -5.623 457 HE1 HIS 52 HE1 HIS 52 -6.359 1.981 -8.671 458 H LEU 53 HN LEU 53 -4.602 1.295 -2.856 459 HA LEU 53 HA LEU 53 -5.895 -1.395 -2.851 460 HB2 LEU 53 HB2 LEU 53 -5.673 0.714 -0.661 461 HB3 LEU 53 HB3 LEU 53 -6.353 -0.901 -0.529 462 HG LEU 53 HG LEU 53 -4.427 -0.816 0.674 463 HD11 LEU 53 HD11 LEU 53 -2.901 -2.479 -0.268 464 HD12 LEU 53 HD12 LEU 53 -3.677 -2.267 -1.867 465 HD13 LEU 53 HD13 LEU 53 -4.604 -2.898 -0.478 466 HD21 LEU 53 HD21 LEU 53 -2.601 0.067 -1.527 467 HD22 LEU 53 HD22 LEU 53 -2.308 -0.081 0.230 468 HD23 LEU 53 HD23 LEU 53 -3.400 1.168 -0.387 469 H THR 54 HN THR 54 -8.231 -1.300 -3.026 470 HA THR 54 HA THR 54 -9.310 1.388 -3.706 471 HB THR 54 HB THR 54 -10.677 -1.296 -4.031 472 HG1 THR 54 HG1 THR 54 -8.665 -0.898 -5.300 473 HG21 THR 54 HG21 THR 54 -11.208 1.405 -5.313 474 HG22 THR 54 HG22 THR 54 -12.199 0.645 -4.052 475 HG23 THR 54 HG23 THR 54 -12.071 -0.107 -5.647 476 H LEU 55 HN LEU 55 -10.332 2.474 -2.208 477 HA LEU 55 HA LEU 55 -11.240 1.196 0.291 478 HB2 LEU 55 HB2 LEU 55 -11.095 4.026 -0.755 479 HB3 LEU 55 HB3 LEU 55 -12.254 3.669 0.479 480 HG LEU 55 HG LEU 55 -10.617 4.460 1.734 481 HD11 LEU 55 HD11 LEU 55 -11.124 2.559 2.829 482 HD12 LEU 55 HD12 LEU 55 -9.407 2.943 3.033 483 HD13 LEU 55 HD13 LEU 55 -9.896 1.624 1.928 484 HD21 LEU 55 HD21 LEU 55 -8.797 5.045 0.662 485 HD22 LEU 55 HD22 LEU 55 -8.775 3.610 -0.360 486 HD23 LEU 55 HD23 LEU 55 -8.098 3.565 1.292 487 H ARG 56 HN ARG 56 -13.535 1.277 0.967 488 HA ARG 56 HA ARG 56 -15.522 1.983 -1.162 489 HB2 ARG 56 HB2 ARG 56 -15.188 -0.519 -0.966 490 HB3 ARG 56 HB3 ARG 56 -15.750 -0.376 0.717 491 HG2 ARG 56 HG2 ARG 56 -17.900 0.499 -0.043 492 HG3 ARG 56 HG3 ARG 56 -17.316 0.449 -1.717 493 HD2 ARG 56 HD2 ARG 56 -17.181 -1.988 -1.641 494 HD3 ARG 56 HD3 ARG 56 -17.637 -1.990 0.054 495 HE ARG 56 HE ARG 56 -19.827 -1.331 -0.471 496 HH11 ARG 56 HH11 ARG 56 -18.011 -1.742 -3.545 497 HH12 ARG 56 HH12 ARG 56 -19.380 -1.287 -4.471 498 HH21 ARG 56 HH21 ARG 56 -21.460 -0.658 -1.735 499 HH22 ARG 56 HH22 ARG 56 -21.459 -0.794 -3.451 500 H GLU 57 HN GLU 57 -16.249 3.753 -0.440 501 HA GLU 57 HA GLU 57 -17.397 4.234 2.234 502 HB2 GLU 57 HB2 GLU 57 -16.321 6.131 1.430 503 HB3 GLU 57 HB3 GLU 57 -16.764 5.830 -0.242 504 HG2 GLU 57 HG2 GLU 57 -19.053 6.327 1.653 505 HG3 GLU 57 HG3 GLU 57 -17.973 7.659 1.340 506 H GLY 58 HN GLY 58 -19.523 3.730 2.323 507 HA2 GLY 58 HA1 GLY 58 -21.765 3.321 1.783 508 HA3 GLY 58 HA2 GLY 58 -21.414 4.846 1.004 509 H SER 59 HN SER 59 -21.040 4.832 -1.298 510 HA SER 59 HA SER 59 -21.930 2.392 -2.761 511 HB2 SER 59 HB2 SER 59 -23.441 3.663 -4.205 512 HB3 SER 59 HB3 SER 59 -23.980 3.565 -2.536 513 HG SER 59 HG SER 59 -23.147 5.696 -2.220 514 H LYS 60 HN LYS 60 -19.422 4.357 -2.370 515 HA LYS 60 HA LYS 60 -18.675 4.551 -5.251 516 HB2 LYS 60 HB2 LYS 60 -18.629 6.596 -3.817 517 HB3 LYS 60 HB3 LYS 60 -17.451 5.823 -2.774 518 HG2 LYS 60 HG2 LYS 60 -15.773 6.341 -4.160 519 HG3 LYS 60 HG3 LYS 60 -16.618 5.783 -5.586 520 HD2 LYS 60 HD2 LYS 60 -16.123 8.047 -5.912 521 HD3 LYS 60 HD3 LYS 60 -17.862 7.940 -5.673 522 HE2 LYS 60 HE2 LYS 60 -17.733 8.906 -3.495 523 HE3 LYS 60 HE3 LYS 60 -16.012 8.554 -3.340 524 HZ1 LYS 60 HZ1 LYS 60 -16.495 10.925 -3.867 525 HZ2 LYS 60 HZ2 LYS 60 -17.074 10.452 -5.340 526 HZ3 LYS 60 HZ3 LYS 60 -15.496 10.194 -4.922 527 H GLU 61 HN GLU 61 -16.395 3.925 -5.710 528 HA GLU 61 HA GLU 61 -14.874 2.565 -3.680 529 HB2 GLU 61 HB2 GLU 61 -15.770 1.236 -6.189 530 HB3 GLU 61 HB3 GLU 61 -14.084 1.028 -5.737 531 HG2 GLU 61 HG2 GLU 61 -14.529 -0.100 -3.774 532 HG3 GLU 61 HG3 GLU 61 -16.087 0.619 -3.556 533 H PHE 62 HN PHE 62 -12.704 3.353 -3.868 534 HA PHE 62 HA PHE 62 -11.904 4.962 -6.228 535 HB2 PHE 62 HB2 PHE 62 -11.216 6.847 -4.882 536 HB3 PHE 62 HB3 PHE 62 -12.949 6.645 -4.902 537 HD1 PHE 62 HD1 PHE 62 -14.172 5.953 -2.871 538 HD2 PHE 62 HD2 PHE 62 -9.948 6.694 -2.774 539 HE1 PHE 62 HE1 PHE 62 -14.316 6.238 -0.427 540 HE2 PHE 62 HE2 PHE 62 -10.058 6.887 -0.281 541 HZ PHE 62 HZ PHE 62 -12.239 6.681 0.889 542 H GLY 63 HN GLY 63 -9.673 4.800 -6.498 543 HA2 GLY 63 HA1 GLY 63 -8.272 2.781 -4.868 544 HA3 GLY 63 HA2 GLY 63 -7.737 3.543 -6.357 545 H VAL 64 HN VAL 64 -6.613 3.302 -3.387 546 HA VAL 64 HA VAL 64 -5.442 6.037 -3.567 547 HB VAL 64 HB VAL 64 -5.381 6.220 -1.209 548 HG11 VAL 64 HG11 VAL 64 -8.174 5.245 -1.842 549 HG12 VAL 64 HG12 VAL 64 -7.672 6.470 -0.657 550 HG13 VAL 64 HG13 VAL 64 -7.526 6.790 -2.383 551 HG21 VAL 64 HG21 VAL 64 -6.264 4.651 0.376 552 HG22 VAL 64 HG22 VAL 64 -6.538 3.463 -0.929 553 HG23 VAL 64 HG23 VAL 64 -4.893 3.974 -0.494 554 H PHE 65 HN PHE 65 -3.207 6.201 -3.130 555 HA PHE 65 HA PHE 65 -1.731 3.617 -3.335 556 HB2 PHE 65 HB2 PHE 65 -0.981 6.439 -4.118 557 HB3 PHE 65 HB3 PHE 65 0.156 5.147 -4.067 558 HD1 PHE 65 HD1 PHE 65 -0.166 3.150 -5.742 559 HD2 PHE 65 HD2 PHE 65 -2.559 6.734 -5.895 560 HE1 PHE 65 HE1 PHE 65 -0.671 2.727 -8.134 561 HE2 PHE 65 HE2 PHE 65 -3.070 6.307 -8.264 562 HZ PHE 65 HZ PHE 65 -2.098 4.307 -9.412 563 H VAL 66 HN VAL 66 0.332 3.534 -2.156 564 HA VAL 66 HA VAL 66 0.374 5.155 0.353 565 HB VAL 66 HB VAL 66 0.787 2.141 0.242 566 HG11 VAL 66 HG11 VAL 66 0.338 2.574 2.803 567 HG12 VAL 66 HG12 VAL 66 1.933 2.927 2.120 568 HG13 VAL 66 HG13 VAL 66 0.797 4.234 2.432 569 HG21 VAL 66 HG21 VAL 66 -1.528 2.477 -0.276 570 HG22 VAL 66 HG22 VAL 66 -1.409 1.956 1.409 571 HG23 VAL 66 HG23 VAL 66 -1.735 3.659 1.017 572 H THR 67 HN THR 67 2.190 6.353 0.109 573 HA THR 67 HA THR 67 4.467 5.477 -1.371 574 HB THR 67 HB THR 67 4.492 7.712 0.650 575 HG1 THR 67 HG1 THR 67 3.564 9.060 -0.836 576 HG21 THR 67 HG21 THR 67 5.610 7.523 -2.183 577 HG22 THR 67 HG22 THR 67 6.536 7.103 -0.730 578 HG23 THR 67 HG23 THR 67 5.977 8.758 -0.956 579 H ILE 68 HN ILE 68 5.908 3.946 -0.595 580 HA ILE 68 HA ILE 68 6.724 4.041 2.270 581 HB ILE 68 HB ILE 68 6.148 1.540 0.625 582 HG12 ILE 68 HG12 ILE 68 5.072 2.544 3.312 583 HG13 ILE 68 HG13 ILE 68 4.207 2.601 1.783 584 HG21 ILE 68 HG21 ILE 68 7.096 0.346 2.652 585 HG22 ILE 68 HG22 ILE 68 8.297 1.261 1.772 586 HG23 ILE 68 HG23 ILE 68 7.640 1.922 3.277 587 HD11 ILE 68 HD11 ILE 68 4.986 0.075 3.279 588 HD12 ILE 68 HD12 ILE 68 3.375 0.753 3.040 589 HD13 ILE 68 HD13 ILE 68 4.274 0.111 1.646 590 H SER 69 HN SER 69 8.730 4.882 2.072 591 HA SER 69 HA SER 69 10.516 4.118 -0.194 592 HB2 SER 69 HB2 SER 69 10.565 6.532 1.694 593 HB3 SER 69 HB3 SER 69 11.784 6.140 0.473 594 HG SER 69 HG SER 69 10.429 7.569 -0.434 595 H PHE 70 HN PHE 70 12.082 2.630 0.482 596 HA PHE 70 HA PHE 70 12.791 2.549 3.357 597 HB2 PHE 70 HB2 PHE 70 12.285 0.252 3.540 598 HB3 PHE 70 HB3 PHE 70 10.843 1.007 2.913 599 HD1 PHE 70 HD2 PHE 70 10.286 0.707 0.393 600 HD2 PHE 70 HD1 PHE 70 13.480 -1.392 2.336 601 HE1 PHE 70 HE2 PHE 70 10.367 -0.936 -1.472 602 HE2 PHE 70 HE1 PHE 70 13.513 -3.087 0.498 603 HZ PHE 70 HZ PHE 70 11.923 -2.848 -1.407 604 H ASP 71 HN ASP 71 14.691 1.260 3.786 605 HA ASP 71 HA ASP 71 16.668 1.662 1.680 606 HB2 ASP 71 HB2 ASP 71 16.763 0.651 4.535 607 HB3 ASP 71 HB3 ASP 71 18.143 0.405 3.476 608 HA PRO 72 HA PRO 72 16.730 -2.707 0.365 609 HB2 PRO 72 HB2 PRO 72 19.019 -2.701 -1.071 610 HB3 PRO 72 HB3 PRO 72 17.577 -1.812 -1.641 611 HG2 PRO 72 HG2 PRO 72 19.923 -0.678 -0.098 612 HG3 PRO 72 HG3 PRO 72 19.267 -0.104 -1.665 613 HD2 PRO 72 HD2 PRO 72 18.367 1.031 0.622 614 HD3 PRO 72 HD3 PRO 72 17.219 0.623 -0.674 615 H TYR 73 HN TYR 73 19.269 -0.942 2.092 616 HA TYR 73 HA TYR 73 21.145 -2.810 2.591 617 HB2 TYR 73 HB2 TYR 73 20.118 -0.748 4.579 618 HB3 TYR 73 HB3 TYR 73 21.635 -1.597 4.729 619 HD1 TYR 73 HD1 TYR 73 22.822 -1.422 1.973 620 HD2 TYR 73 HD2 TYR 73 20.629 1.552 4.253 621 HE1 TYR 73 HE1 TYR 73 23.973 0.358 0.803 622 HE2 TYR 73 HE2 TYR 73 21.842 3.329 3.111 623 HH TYR 73 HH TYR 73 24.626 2.719 0.981 624 H SER 74 HN SER 74 18.424 -2.162 4.751 625 HA SER 74 HA SER 74 18.627 -4.822 6.054 626 HB2 SER 74 HB2 SER 74 18.324 -3.433 8.162 627 HB3 SER 74 HB3 SER 74 19.865 -3.206 7.322 628 HG SER 74 HG SER 74 19.047 -1.200 7.820 629 H GLN 75 HN GLN 75 16.552 -2.801 4.332 630 HA GLN 75 HA GLN 75 14.413 -2.121 4.403 631 HB2 GLN 75 HB2 GLN 75 14.068 -4.941 5.494 632 HB3 GLN 75 HB3 GLN 75 12.726 -3.816 5.478 633 HG2 GLN 75 HG2 GLN 75 12.309 -4.463 3.410 634 HG3 GLN 75 HG3 GLN 75 13.693 -3.521 2.901 635 HE21 GLN 75 HE21 GLN 75 15.868 -4.741 2.810 636 HE22 GLN 75 HE22 GLN 75 15.749 -6.393 2.288 637 H LYS 76 HN LYS 76 15.444 -0.447 5.671 638 HA LYS 76 HA LYS 76 13.917 -0.112 8.195 639 HB2 LYS 76 HB2 LYS 76 16.433 1.220 7.045 640 HB3 LYS 76 HB3 LYS 76 15.274 2.129 8.010 641 HG2 LYS 76 HG2 LYS 76 15.524 0.107 9.723 642 HG3 LYS 76 HG3 LYS 76 17.067 -0.150 8.880 643 HD2 LYS 76 HD2 LYS 76 17.785 2.117 9.437 644 HD3 LYS 76 HD3 LYS 76 16.147 2.527 9.973 645 HE2 LYS 76 HE2 LYS 76 16.432 0.688 11.733 646 HE3 LYS 76 HE3 LYS 76 18.169 0.768 11.359 647 HZ1 LYS 76 HZ1 LYS 76 16.488 3.073 12.135 648 HZ2 LYS 76 HZ2 LYS 76 18.142 3.084 11.981 649 HZ3 LYS 76 HZ3 LYS 76 17.412 2.233 13.187 650 H VAL 77 HN VAL 77 12.064 1.119 7.797 651 HA VAL 77 HA VAL 77 11.716 2.273 5.115 652 HB VAL 77 HB VAL 77 9.827 1.273 5.836 653 HG11 VAL 77 HG11 VAL 77 8.610 1.750 7.936 654 HG12 VAL 77 HG12 VAL 77 10.150 0.914 8.146 655 HG13 VAL 77 HG13 VAL 77 10.040 2.661 8.501 656 HG21 VAL 77 HG21 VAL 77 8.150 3.000 5.945 657 HG22 VAL 77 HG22 VAL 77 9.344 4.209 6.443 658 HG23 VAL 77 HG23 VAL 77 9.419 3.477 4.818 659 H ASN 78 HN ASN 78 12.003 4.318 4.596 660 HA ASN 78 HA ASN 78 13.369 6.063 6.558 661 HB2 ASN 78 HB2 ASN 78 13.054 6.235 3.521 662 HB3 ASN 78 HB3 ASN 78 13.925 7.397 4.515 663 HD21 ASN 78 HD21 ASN 78 14.833 5.287 2.427 664 HD22 ASN 78 HD22 ASN 78 15.983 4.250 3.322 665 H LYS 79 HN LYS 79 10.566 6.089 4.294 666 HA LYS 79 HA LYS 79 9.151 7.787 6.220 667 HB2 LYS 79 HB2 LYS 79 10.009 8.776 3.506 668 HB3 LYS 79 HB3 LYS 79 8.340 9.083 3.971 669 HG2 LYS 79 HG2 LYS 79 9.132 10.102 6.123 670 HG3 LYS 79 HG3 LYS 79 10.804 9.957 5.535 671 HD2 LYS 79 HD2 LYS 79 10.334 11.377 3.643 672 HD3 LYS 79 HD3 LYS 79 8.597 11.371 4.002 673 HE2 LYS 79 HE2 LYS 79 9.186 12.466 6.239 674 HE3 LYS 79 HE3 LYS 79 10.823 12.681 5.599 675 HZ1 LYS 79 HZ1 LYS 79 9.567 14.648 5.181 676 HZ2 LYS 79 HZ2 LYS 79 8.352 13.799 4.404 677 HZ3 LYS 79 HZ3 LYS 79 9.812 13.934 3.742 678 H ILE 80 HN ILE 80 6.898 7.821 5.898 679 HA ILE 80 HA ILE 80 5.800 6.031 3.854 680 HB ILE 80 HB ILE 80 4.764 6.268 6.706 681 HG12 ILE 80 HG12 ILE 80 6.259 4.092 5.197 682 HG13 ILE 80 HG13 ILE 80 6.733 4.901 6.690 683 HG21 ILE 80 HG21 ILE 80 2.918 6.033 5.058 684 HG22 ILE 80 HG22 ILE 80 3.720 4.613 4.349 685 HG23 ILE 80 HG23 ILE 80 3.086 4.590 6.017 686 HD11 ILE 80 HD11 ILE 80 4.679 3.820 7.772 687 HD12 ILE 80 HD12 ILE 80 4.605 2.817 6.288 688 HD13 ILE 80 HD13 ILE 80 6.038 2.764 7.338 689 H ALA 81 HN ALA 81 3.876 6.948 2.911 690 HA ALA 81 HA ALA 81 2.579 9.135 4.194 691 HB1 ALA 81 HB1 ALA 81 3.482 9.638 1.353 692 HB2 ALA 81 HB2 ALA 81 2.607 10.738 2.433 693 HB3 ALA 81 HB3 ALA 81 4.297 10.339 2.771 694 H ILE 82 HN ILE 82 0.571 9.694 2.519 695 HA ILE 82 HA ILE 82 -0.475 7.189 1.341 696 HB ILE 82 HB ILE 82 -1.625 8.889 3.561 697 HG12 ILE 82 HG12 ILE 82 -0.236 6.820 4.084 698 HG13 ILE 82 HG13 ILE 82 -1.830 6.878 4.777 699 HG21 ILE 82 HG21 ILE 82 -3.255 7.080 1.747 700 HG22 ILE 82 HG22 ILE 82 -3.780 7.676 3.342 701 HG23 ILE 82 HG23 ILE 82 -3.471 8.814 2.035 702 HD11 ILE 82 HD11 ILE 82 -1.092 4.640 3.824 703 HD12 ILE 82 HD12 ILE 82 -2.677 5.216 3.285 704 HD13 ILE 82 HD13 ILE 82 -1.257 5.374 2.227 705 H LEU 83 HN LEU 83 -1.832 7.638 -0.476 706 HA LEU 83 HA LEU 83 -2.222 10.467 -1.257 707 HB2 LEU 83 HB2 LEU 83 -0.165 9.446 -2.338 708 HB3 LEU 83 HB3 LEU 83 -1.153 8.174 -2.965 709 HG LEU 83 HG LEU 83 -0.430 10.090 -4.464 710 HD11 LEU 83 HD11 LEU 83 -2.776 10.172 -5.634 711 HD12 LEU 83 HD12 LEU 83 -3.152 8.868 -4.505 712 HD13 LEU 83 HD13 LEU 83 -1.771 8.732 -5.604 713 HD21 LEU 83 HD21 LEU 83 -2.828 11.573 -3.334 714 HD22 LEU 83 HD22 LEU 83 -1.687 12.117 -4.554 715 HD23 LEU 83 HD23 LEU 83 -1.120 11.918 -2.894 716 H GLU 84 HN GLU 84 -4.218 10.699 -2.383 717 HA GLU 84 HA GLU 84 -5.892 8.256 -2.652 718 HB2 GLU 84 HB2 GLU 84 -6.575 10.084 -0.889 719 HB3 GLU 84 HB3 GLU 84 -6.822 11.115 -2.290 720 HG2 GLU 84 HG2 GLU 84 -8.366 8.943 -2.994 721 HG3 GLU 84 HG3 GLU 84 -8.405 8.787 -1.271 722 H GLU 85 HN GLU 85 -7.107 8.158 -4.597 723 HA GLU 85 HA GLU 85 -6.279 9.827 -6.843 724 HB2 GLU 85 HB2 GLU 85 -6.907 7.495 -7.249 725 HB3 GLU 85 HB3 GLU 85 -8.498 7.754 -6.511 726 HG2 GLU 85 HG2 GLU 85 -9.081 9.346 -8.231 727 HG3 GLU 85 HG3 GLU 85 -7.433 9.247 -8.939 728 H TYR 86 HN TYR 86 -7.122 11.823 -7.224 729 HA TYR 86 HA TYR 86 -9.905 12.439 -6.563 730 HB2 TYR 86 HB2 TYR 86 -9.265 14.757 -6.091 731 HB3 TYR 86 HB3 TYR 86 -8.574 13.633 -4.924 732 HD1 TYR 86 HD2 TYR 86 -6.136 13.065 -4.971 733 HD2 TYR 86 HD1 TYR 86 -7.811 16.160 -7.471 734 HE1 TYR 86 HE2 TYR 86 -3.873 13.961 -5.350 735 HE2 TYR 86 HE1 TYR 86 -5.557 17.096 -7.822 736 HH TYR 86 HH TYR 86 -2.589 15.508 -6.575 737 H GLN 87 HN GLN 87 -10.681 14.107 -8.169 738 HA GLN 87 HA GLN 87 -9.328 14.191 -10.758 739 HB2 GLN 87 HB2 GLN 87 -11.648 12.426 -10.060 740 HB3 GLN 87 HB3 GLN 87 -11.746 13.260 -11.580 741 HG2 GLN 87 HG2 GLN 87 -10.079 12.105 -12.593 742 HG3 GLN 87 HG3 GLN 87 -9.167 11.849 -11.099 743 HE21 GLN 87 HE21 GLN 87 -10.285 10.443 -9.467 744 HE22 GLN 87 HE22 GLN 87 -10.905 8.908 -10.025 Start of MODEL 18 1 H1 GLY 1 HN GLY 1 -19.245 -10.860 3.678 2 HA2 GLY 1 HA1 GLY 1 -17.797 -12.126 5.060 3 HA3 GLY 1 HA2 GLY 1 -17.846 -12.988 3.502 4 H GLU 2 HN GLU 2 -15.986 -12.862 2.100 5 HA GLU 2 HA GLU 2 -13.489 -12.679 3.225 6 HB2 GLU 2 HB2 GLU 2 -14.565 -12.504 0.398 7 HB3 GLU 2 HB3 GLU 2 -12.852 -12.163 0.663 8 HG2 GLU 2 HG2 GLU 2 -13.329 -14.569 0.121 9 HG3 GLU 2 HG3 GLU 2 -12.441 -14.291 1.626 10 H GLU 3 HN GLU 3 -11.830 -11.242 3.315 11 HA GLU 3 HA GLU 3 -12.537 -8.406 3.231 12 HB2 GLU 3 HB2 GLU 3 -10.301 -8.015 4.074 13 HB3 GLU 3 HB3 GLU 3 -11.220 -9.088 5.106 14 HG2 GLU 3 HG2 GLU 3 -9.860 -10.952 4.556 15 HG3 GLU 3 HG3 GLU 3 -9.161 -10.147 3.139 16 H THR 4 HN THR 4 -10.761 -10.832 1.276 17 HA THR 4 HA THR 4 -10.822 -9.036 -0.992 18 HB THR 4 HB THR 4 -8.138 -9.736 -1.136 19 HG1 THR 4 HG1 THR 4 -8.433 -10.212 1.230 20 HG21 THR 4 HG21 THR 4 -9.164 -7.118 0.029 21 HG22 THR 4 HG22 THR 4 -9.141 -7.524 -1.689 22 HG23 THR 4 HG23 THR 4 -7.622 -7.413 -0.787 23 HA PRO 5 HA PRO 5 -10.650 -13.011 -3.079 24 HB2 PRO 5 HB2 PRO 5 -9.566 -12.449 -5.524 25 HB3 PRO 5 HB3 PRO 5 -11.201 -11.911 -5.034 26 HG2 PRO 5 HG2 PRO 5 -8.636 -10.307 -4.951 27 HG3 PRO 5 HG3 PRO 5 -10.233 -9.829 -5.606 28 HD2 PRO 5 HD2 PRO 5 -9.422 -9.126 -3.112 29 HD3 PRO 5 HD3 PRO 5 -11.134 -9.512 -3.454 30 H LEU 6 HN LEU 6 -9.271 -14.078 -1.723 31 HA LEU 6 HA LEU 6 -6.363 -14.328 -2.466 32 HB2 LEU 6 HB2 LEU 6 -7.776 -14.963 0.149 33 HB3 LEU 6 HB3 LEU 6 -6.085 -15.288 -0.222 34 HG LEU 6 HG LEU 6 -7.393 -12.537 0.027 35 HD11 LEU 6 HD11 LEU 6 -5.966 -12.345 2.039 36 HD12 LEU 6 HD12 LEU 6 -5.363 -14.003 1.767 37 HD13 LEU 6 HD13 LEU 6 -7.070 -13.723 2.159 38 HD21 LEU 6 HD21 LEU 6 -5.093 -11.624 -0.122 39 HD22 LEU 6 HD22 LEU 6 -5.597 -12.380 -1.634 40 HD23 LEU 6 HD23 LEU 6 -4.480 -13.243 -0.549 41 H VAL 7 HN VAL 7 -6.126 -15.923 -3.782 42 HA VAL 7 HA VAL 7 -7.896 -18.304 -3.594 43 HB VAL 7 HB VAL 7 -6.903 -18.898 -5.790 44 HG11 VAL 7 HG11 VAL 7 -8.187 -16.133 -5.710 45 HG12 VAL 7 HG12 VAL 7 -8.144 -17.252 -7.089 46 HG13 VAL 7 HG13 VAL 7 -9.036 -17.688 -5.631 47 HG21 VAL 7 HG21 VAL 7 -4.740 -17.647 -5.604 48 HG22 VAL 7 HG22 VAL 7 -5.623 -17.299 -7.094 49 HG23 VAL 7 HG23 VAL 7 -5.634 -16.118 -5.776 50 H THR 8 HN THR 8 -5.076 -17.290 -2.136 51 HA THR 8 HA THR 8 -4.479 -20.058 -1.527 52 HB THR 8 HB THR 8 -2.084 -18.549 -2.595 53 HG1 THR 8 HG1 THR 8 -4.025 -19.951 -3.983 54 HG21 THR 8 HG21 THR 8 -1.739 -20.538 -1.082 55 HG22 THR 8 HG22 THR 8 -1.085 -20.769 -2.709 56 HG23 THR 8 HG23 THR 8 -2.622 -21.532 -2.254 57 H ALA 9 HN ALA 9 -4.118 -20.139 0.580 58 HA ALA 9 HA ALA 9 -3.529 -17.912 2.282 59 HB1 ALA 9 HB1 ALA 9 -4.772 -19.939 2.977 60 HB2 ALA 9 HB2 ALA 9 -3.333 -20.938 2.709 61 HB3 ALA 9 HB3 ALA 9 -3.332 -19.707 3.985 62 H ARG 10 HN ARG 10 -1.538 -16.852 1.859 63 HA ARG 10 HA ARG 10 0.910 -18.436 2.316 64 HB2 ARG 10 HB2 ARG 10 0.545 -16.546 -0.033 65 HB3 ARG 10 HB3 ARG 10 2.095 -17.169 0.502 66 HG2 ARG 10 HG2 ARG 10 1.471 -19.472 0.067 67 HG3 ARG 10 HG3 ARG 10 -0.148 -18.987 -0.450 68 HD2 ARG 10 HD2 ARG 10 2.400 -18.048 -1.820 69 HD3 ARG 10 HD3 ARG 10 1.478 -19.484 -2.297 70 HE ARG 10 HE ARG 10 -0.202 -17.134 -2.124 71 HH11 ARG 10 HH11 ARG 10 2.102 -18.744 -4.281 72 HH12 ARG 10 HH12 ARG 10 1.483 -18.046 -5.732 73 HH21 ARG 10 HH21 ARG 10 -1.189 -16.448 -3.926 74 HH22 ARG 10 HH22 ARG 10 -0.618 -16.759 -5.537 75 H HIS 11 HN HIS 11 2.668 -17.123 2.900 76 HA HIS 11 HA HIS 11 2.239 -14.950 4.617 77 HB2 HIS 11 HB2 HIS 11 4.279 -16.672 3.989 78 HB3 HIS 11 HB3 HIS 11 4.885 -15.196 3.257 79 HD1 HIS 11 HD1 HIS 11 4.182 -16.842 6.650 80 HD2 HIS 11 HD2 HIS 11 5.669 -13.276 4.968 81 HE1 HIS 11 HE1 HIS 11 5.452 -15.660 8.503 82 H MET 12 HN MET 12 3.168 -12.703 4.352 83 HA MET 12 HA MET 12 2.753 -11.633 1.589 84 HB2 MET 12 HB2 MET 12 2.043 -10.399 4.279 85 HB3 MET 12 HB3 MET 12 2.003 -9.542 2.742 86 HG2 MET 12 HG2 MET 12 0.290 -10.982 1.852 87 HG3 MET 12 HG3 MET 12 0.415 -12.077 3.222 88 HE1 MET 12 HE1 MET 12 -1.752 -7.976 3.304 89 HE2 MET 12 HE2 MET 12 0.015 -7.999 3.271 90 HE3 MET 12 HE3 MET 12 -0.910 -8.660 1.896 91 H SER 13 HN SER 13 3.985 -9.692 1.148 92 HA SER 13 HA SER 13 6.739 -9.999 1.775 93 HB2 SER 13 HB2 SER 13 5.025 -8.040 0.274 94 HB3 SER 13 HB3 SER 13 6.711 -7.668 0.490 95 HG SER 13 HG SER 13 5.990 -8.942 -1.454 96 H LYS 14 HN LYS 14 8.113 -8.170 2.343 97 HA LYS 14 HA LYS 14 8.010 -7.679 5.077 98 HB2 LYS 14 HB2 LYS 14 10.095 -7.553 3.778 99 HB3 LYS 14 HB3 LYS 14 9.540 -6.115 2.945 100 HG2 LYS 14 HG2 LYS 14 11.015 -5.277 4.404 101 HG3 LYS 14 HG3 LYS 14 9.541 -4.866 5.170 102 HD2 LYS 14 HD2 LYS 14 10.965 -7.430 5.976 103 HD3 LYS 14 HD3 LYS 14 11.567 -5.863 6.546 104 HE2 LYS 14 HE2 LYS 14 9.442 -5.308 7.569 105 HE3 LYS 14 HE3 LYS 14 8.682 -6.765 6.917 106 HZ1 LYS 14 HZ1 LYS 14 10.800 -6.664 8.978 107 HZ2 LYS 14 HZ2 LYS 14 10.309 -8.057 8.241 108 HZ3 LYS 14 HZ3 LYS 14 9.248 -7.189 9.136 109 H TRP 15 HN TRP 15 6.845 -5.566 2.526 110 HA TRP 15 HA TRP 15 6.111 -3.518 4.523 111 HB2 TRP 15 HB2 TRP 15 6.471 -3.246 1.522 112 HB3 TRP 15 HB3 TRP 15 6.208 -1.936 2.667 113 HD1 TRP 15 HD1 TRP 15 8.906 -4.150 1.254 114 HE1 TRP 15 HE1 TRP 15 11.207 -3.600 2.275 115 HE3 TRP 15 HE3 TRP 15 7.403 -0.915 4.934 116 HZ2 TRP 15 HZ2 TRP 15 12.217 -1.900 4.337 117 HZ3 TRP 15 HZ3 TRP 15 9.039 -0.011 6.536 118 HH2 TRP 15 HH2 TRP 15 11.475 -0.543 6.277 119 H GLU 16 HN GLU 16 4.591 -6.051 3.076 120 HA GLU 16 HA GLU 16 2.573 -4.730 1.498 121 HB2 GLU 16 HB2 GLU 16 3.431 -7.492 2.128 122 HB3 GLU 16 HB3 GLU 16 1.696 -7.341 2.108 123 HG2 GLU 16 HG2 GLU 16 1.927 -6.115 -0.113 124 HG3 GLU 16 HG3 GLU 16 3.599 -6.697 -0.124 125 H GLU 17 HN GLU 17 2.710 -5.854 4.902 126 HA GLU 17 HA GLU 17 -0.169 -5.302 5.243 127 HB2 GLU 17 HB2 GLU 17 2.042 -6.169 7.151 128 HB3 GLU 17 HB3 GLU 17 0.502 -5.542 7.711 129 HG2 GLU 17 HG2 GLU 17 -0.546 -7.346 6.071 130 HG3 GLU 17 HG3 GLU 17 1.032 -8.127 6.261 131 H ILE 18 HN ILE 18 2.951 -3.685 5.757 132 HA ILE 18 HA ILE 18 2.081 -1.480 7.415 133 HB ILE 18 HB ILE 18 4.292 -1.665 5.332 134 HG12 ILE 18 HG12 ILE 18 4.365 -1.950 8.372 135 HG13 ILE 18 HG13 ILE 18 4.420 -3.304 7.251 136 HG21 ILE 18 HG21 ILE 18 5.270 0.313 6.478 137 HG22 ILE 18 HG22 ILE 18 3.707 0.698 5.773 138 HG23 ILE 18 HG23 ILE 18 3.833 0.416 7.515 139 HD11 ILE 18 HD11 ILE 18 6.560 -1.171 7.525 140 HD12 ILE 18 HD12 ILE 18 6.657 -2.878 7.983 141 HD13 ILE 18 HD13 ILE 18 6.525 -2.451 6.286 142 H ALA 19 HN ALA 19 2.094 -1.898 3.842 143 HA ALA 19 HA ALA 19 0.800 0.666 3.523 144 HB1 ALA 19 HB1 ALA 19 0.580 0.016 1.191 145 HB2 ALA 19 HB2 ALA 19 2.210 -0.309 1.813 146 HB3 ALA 19 HB3 ALA 19 1.050 -1.656 1.590 147 H VAL 20 HN VAL 20 -0.497 -2.323 4.505 148 HA VAL 20 HA VAL 20 -3.224 -1.536 3.544 149 HB VAL 20 HB VAL 20 -2.299 -3.997 5.091 150 HG11 VAL 20 HG11 VAL 20 -4.573 -3.574 5.751 151 HG12 VAL 20 HG12 VAL 20 -5.062 -3.188 4.078 152 HG13 VAL 20 HG13 VAL 20 -4.640 -4.844 4.533 153 HG21 VAL 20 HG21 VAL 20 -1.747 -3.790 2.540 154 HG22 VAL 20 HG22 VAL 20 -2.539 -5.257 3.131 155 HG23 VAL 20 HG23 VAL 20 -3.482 -4.009 2.299 156 H LYS 21 HN LYS 21 -1.404 -1.946 6.675 157 HA LYS 21 HA LYS 21 -3.686 -1.599 8.193 158 HB2 LYS 21 HB2 LYS 21 -2.150 -1.301 10.114 159 HB3 LYS 21 HB3 LYS 21 -1.791 -2.693 9.078 160 HG2 LYS 21 HG2 LYS 21 -0.153 -1.256 7.871 161 HG3 LYS 21 HG3 LYS 21 -0.395 0.009 9.026 162 HD2 LYS 21 HD2 LYS 21 1.580 -1.145 9.636 163 HD3 LYS 21 HD3 LYS 21 0.337 -1.539 10.826 164 HE2 LYS 21 HE2 LYS 21 0.244 -3.538 8.746 165 HE3 LYS 21 HE3 LYS 21 1.947 -3.285 9.149 166 HZ1 LYS 21 HZ1 LYS 21 1.085 -4.981 10.567 167 HZ2 LYS 21 HZ2 LYS 21 -0.202 -4.076 11.011 168 HZ3 LYS 21 HZ3 LYS 21 1.285 -3.629 11.514 169 H GLU 22 HN GLU 22 -1.676 0.936 6.829 170 HA GLU 22 HA GLU 22 -3.021 3.021 8.441 171 HB2 GLU 22 HB2 GLU 22 -0.895 3.042 6.258 172 HB3 GLU 22 HB3 GLU 22 -1.498 4.509 7.046 173 HG2 GLU 22 HG2 GLU 22 -0.145 2.173 8.359 174 HG3 GLU 22 HG3 GLU 22 0.673 3.642 8.011 175 H ALA 23 HN ALA 23 -3.337 1.488 5.240 176 HA ALA 23 HA ALA 23 -4.679 3.618 3.929 177 HB1 ALA 23 HB1 ALA 23 -5.542 1.917 2.426 178 HB2 ALA 23 HB2 ALA 23 -3.820 1.632 2.742 179 HB3 ALA 23 HB3 ALA 23 -5.057 0.628 3.552 180 H LYS 24 HN LYS 24 -5.827 1.577 6.531 181 HA LYS 24 HA LYS 24 -8.570 2.692 6.146 182 HB2 LYS 24 HB2 LYS 24 -9.283 1.614 8.056 183 HB3 LYS 24 HB3 LYS 24 -8.487 0.463 6.979 184 HG2 LYS 24 HG2 LYS 24 -6.468 0.523 8.422 185 HG3 LYS 24 HG3 LYS 24 -7.275 1.763 9.396 186 HD2 LYS 24 HD2 LYS 24 -7.459 -0.344 10.562 187 HD3 LYS 24 HD3 LYS 24 -9.075 0.108 9.958 188 HE2 LYS 24 HE2 LYS 24 -8.864 -1.467 8.104 189 HE3 LYS 24 HE3 LYS 24 -7.186 -1.819 8.555 190 HZ1 LYS 24 HZ1 LYS 24 -9.355 -2.344 10.456 191 HZ2 LYS 24 HZ2 LYS 24 -7.836 -2.955 10.427 192 HZ3 LYS 24 HZ3 LYS 24 -8.937 -3.445 9.320 193 H LYS 25 HN LYS 25 -5.630 3.443 7.987 194 HA LYS 25 HA LYS 25 -6.973 5.004 10.027 195 HB2 LYS 25 HB2 LYS 25 -4.043 5.007 9.161 196 HB3 LYS 25 HB3 LYS 25 -4.648 5.643 10.683 197 HG2 LYS 25 HG2 LYS 25 -4.708 2.770 9.750 198 HG3 LYS 25 HG3 LYS 25 -3.576 3.413 10.938 199 HD2 LYS 25 HD2 LYS 25 -6.599 3.285 11.231 200 HD3 LYS 25 HD3 LYS 25 -5.465 2.069 11.848 201 HE2 LYS 25 HE2 LYS 25 -4.421 3.593 13.324 202 HE3 LYS 25 HE3 LYS 25 -5.168 4.995 12.560 203 HZ1 LYS 25 HZ1 LYS 25 -7.272 4.402 13.468 204 HZ2 LYS 25 HZ2 LYS 25 -6.211 4.398 14.681 205 HZ3 LYS 25 HZ3 LYS 25 -6.720 2.964 14.081 206 H ARG 26 HN ARG 26 -5.474 5.854 6.966 207 HA ARG 26 HA ARG 26 -5.546 8.713 7.514 208 HB2 ARG 26 HB2 ARG 26 -4.096 7.370 5.782 209 HB3 ARG 26 HB3 ARG 26 -5.508 7.469 4.767 210 HG2 ARG 26 HG2 ARG 26 -4.444 9.398 4.045 211 HG3 ARG 26 HG3 ARG 26 -5.322 10.102 5.389 212 HD2 ARG 26 HD2 ARG 26 -3.046 9.208 6.660 213 HD3 ARG 26 HD3 ARG 26 -2.408 9.589 5.060 214 HE ARG 26 HE ARG 26 -4.089 11.695 6.090 215 HH11 ARG 26 HH11 ARG 26 -0.694 10.478 6.192 216 HH12 ARG 26 HH12 ARG 26 -0.111 11.919 6.937 217 HH21 ARG 26 HH21 ARG 26 -3.284 13.471 7.106 218 HH22 ARG 26 HH22 ARG 26 -1.596 13.696 7.470 219 H TYR 27 HN TYR 27 -8.174 6.620 7.254 220 HA TYR 27 HA TYR 27 -9.829 8.345 5.523 221 HB2 TYR 27 HB2 TYR 27 -9.308 5.374 5.269 222 HB3 TYR 27 HB3 TYR 27 -10.647 6.233 4.521 223 HD1 TYR 27 HD1 TYR 27 -10.232 8.011 2.791 224 HD2 TYR 27 HD2 TYR 27 -7.059 5.540 4.323 225 HE1 TYR 27 HE1 TYR 27 -8.818 8.638 0.879 226 HE2 TYR 27 HE2 TYR 27 -5.658 6.087 2.361 227 HH TYR 27 HH TYR 27 -5.524 7.383 0.254 228 HA PRO 28 HA PRO 28 -11.896 7.193 9.438 229 HB2 PRO 28 HB2 PRO 28 -12.864 9.712 10.056 230 HB3 PRO 28 HB3 PRO 28 -11.230 9.111 10.437 231 HG2 PRO 28 HG2 PRO 28 -12.054 10.997 8.251 232 HG3 PRO 28 HG3 PRO 28 -10.496 10.884 9.135 233 HD2 PRO 28 HD2 PRO 28 -11.000 9.919 6.587 234 HD3 PRO 28 HD3 PRO 28 -9.605 9.533 7.650 235 H LEU 29 HN LEU 29 -13.125 8.683 6.533 236 HA LEU 29 HA LEU 29 -15.948 8.293 7.328 237 HB2 LEU 29 HB2 LEU 29 -14.540 9.760 5.086 238 HB3 LEU 29 HB3 LEU 29 -16.240 9.376 4.964 239 HG LEU 29 HG LEU 29 -15.959 11.618 5.688 240 HD11 LEU 29 HD11 LEU 29 -17.002 10.082 8.094 241 HD12 LEU 29 HD12 LEU 29 -17.897 10.223 6.552 242 HD13 LEU 29 HD13 LEU 29 -17.520 11.667 7.499 243 HD21 LEU 29 HD21 LEU 29 -13.807 11.386 6.881 244 HD22 LEU 29 HD22 LEU 29 -14.663 10.594 8.236 245 HD23 LEU 29 HD23 LEU 29 -15.004 12.290 7.805 246 H ALA 30 HN ALA 30 -13.571 6.355 5.977 247 HA ALA 30 HA ALA 30 -15.444 4.906 4.219 248 HB1 ALA 30 HB1 ALA 30 -13.773 4.829 2.438 249 HB2 ALA 30 HB2 ALA 30 -14.089 6.525 2.829 250 HB3 ALA 30 HB3 ALA 30 -12.615 5.747 3.421 251 H GLN 31 HN GLN 31 -14.146 2.858 3.474 252 HA GLN 31 HA GLN 31 -12.514 1.703 5.680 253 HB2 GLN 31 HB2 GLN 31 -14.729 0.306 4.163 254 HB3 GLN 31 HB3 GLN 31 -13.795 -0.345 5.505 255 HG2 GLN 31 HG2 GLN 31 -14.832 1.330 7.039 256 HG3 GLN 31 HG3 GLN 31 -15.792 1.944 5.683 257 HE21 GLN 31 HE21 GLN 31 -16.758 -0.050 4.371 258 HE22 GLN 31 HE22 GLN 31 -17.861 -0.988 5.369 259 H VAL 32 HN VAL 32 -11.197 -0.115 4.819 260 HA VAL 32 HA VAL 32 -10.710 0.178 1.903 261 HB VAL 32 HB VAL 32 -8.990 1.071 3.491 262 HG11 VAL 32 HG11 VAL 32 -8.241 -1.838 3.899 263 HG12 VAL 32 HG12 VAL 32 -7.382 -0.392 4.478 264 HG13 VAL 32 HG13 VAL 32 -8.980 -0.780 5.133 265 HG21 VAL 32 HG21 VAL 32 -8.130 -1.020 1.456 266 HG22 VAL 32 HG22 VAL 32 -8.441 0.725 1.177 267 HG23 VAL 32 HG23 VAL 32 -7.082 0.233 2.172 268 H LEU 33 HN LEU 33 -11.032 -1.441 0.600 269 HA LEU 33 HA LEU 33 -11.818 -4.047 1.695 270 HB2 LEU 33 HB2 LEU 33 -12.791 -2.741 -0.870 271 HB3 LEU 33 HB3 LEU 33 -13.502 -3.997 0.131 272 HG LEU 33 HG LEU 33 -13.724 -2.142 1.952 273 HD11 LEU 33 HD11 LEU 33 -12.477 -0.388 0.647 274 HD12 LEU 33 HD12 LEU 33 -14.105 0.054 1.086 275 HD13 LEU 33 HD13 LEU 33 -13.713 -0.457 -0.594 276 HD21 LEU 33 HD21 LEU 33 -15.608 -3.245 0.736 277 HD22 LEU 33 HD22 LEU 33 -15.348 -2.108 -0.619 278 HD23 LEU 33 HD23 LEU 33 -15.922 -1.504 0.963 279 H PHE 34 HN PHE 34 -9.153 -3.064 0.157 280 HA PHE 34 HA PHE 34 -9.059 -5.314 -1.778 281 HB2 PHE 34 HB2 PHE 34 -9.668 -2.729 -2.634 282 HB3 PHE 34 HB3 PHE 34 -7.952 -2.791 -2.846 283 HD1 PHE 34 HD1 PHE 34 -11.169 -4.333 -3.829 284 HD2 PHE 34 HD2 PHE 34 -6.941 -4.016 -4.664 285 HE1 PHE 34 HE1 PHE 34 -11.519 -5.315 -6.076 286 HE2 PHE 34 HE2 PHE 34 -7.313 -5.040 -6.892 287 HZ PHE 34 HZ PHE 34 -9.600 -5.669 -7.602 288 H LYS 35 HN LYS 35 -6.836 -5.813 -2.381 289 HA LYS 35 HA LYS 35 -4.772 -3.944 -1.768 290 HB2 LYS 35 HB2 LYS 35 -3.292 -5.954 -0.842 291 HB3 LYS 35 HB3 LYS 35 -4.144 -4.841 0.208 292 HG2 LYS 35 HG2 LYS 35 -5.787 -6.383 0.782 293 HG3 LYS 35 HG3 LYS 35 -5.387 -7.485 -0.574 294 HD2 LYS 35 HD2 LYS 35 -3.286 -8.091 0.408 295 HD3 LYS 35 HD3 LYS 35 -3.438 -6.891 1.689 296 HE2 LYS 35 HE2 LYS 35 -5.480 -9.120 1.329 297 HE3 LYS 35 HE3 LYS 35 -3.985 -9.371 2.254 298 HZ1 LYS 35 HZ1 LYS 35 -4.630 -7.638 3.750 299 HZ2 LYS 35 HZ2 LYS 35 -5.843 -8.714 3.655 300 HZ3 LYS 35 HZ3 LYS 35 -6.012 -7.314 2.867 301 H GLN 36 HN GLN 36 -3.418 -3.961 -3.532 302 HA GLN 36 HA GLN 36 -2.795 -6.484 -4.775 303 HB2 GLN 36 HB2 GLN 36 -4.930 -5.456 -5.885 304 HB3 GLN 36 HB3 GLN 36 -3.825 -4.272 -6.580 305 HG2 GLN 36 HG2 GLN 36 -2.684 -5.985 -7.839 306 HG3 GLN 36 HG3 GLN 36 -3.388 -7.276 -6.843 307 HE21 GLN 36 HE21 GLN 36 -5.540 -7.971 -7.192 308 HE22 GLN 36 HE22 GLN 36 -6.347 -7.630 -8.699 309 H LYS 37 HN LYS 37 -1.097 -6.100 -6.472 310 HA LYS 37 HA LYS 37 1.023 -4.529 -5.210 311 HB2 LYS 37 HB2 LYS 37 2.553 -5.750 -6.685 312 HB3 LYS 37 HB3 LYS 37 1.466 -6.858 -5.865 313 HG2 LYS 37 HG2 LYS 37 0.051 -6.934 -7.961 314 HG3 LYS 37 HG3 LYS 37 1.251 -5.913 -8.753 315 HD2 LYS 37 HD2 LYS 37 1.721 -8.120 -9.439 316 HD3 LYS 37 HD3 LYS 37 2.977 -7.693 -8.270 317 HE2 LYS 37 HE2 LYS 37 1.801 -8.992 -6.515 318 HE3 LYS 37 HE3 LYS 37 0.506 -9.389 -7.674 319 HZ1 LYS 37 HZ1 LYS 37 2.009 -10.633 -8.954 320 HZ2 LYS 37 HZ2 LYS 37 2.215 -11.144 -7.408 321 HZ3 LYS 37 HZ3 LYS 37 3.320 -10.139 -8.053 322 H VAL 38 HN VAL 38 2.678 -3.502 -6.786 323 HA VAL 38 HA VAL 38 1.506 -2.003 -8.991 324 HB VAL 38 HB VAL 38 3.001 -0.602 -6.724 325 HG11 VAL 38 HG11 VAL 38 1.297 0.512 -9.017 326 HG12 VAL 38 HG12 VAL 38 2.008 1.464 -7.699 327 HG13 VAL 38 HG13 VAL 38 3.060 0.695 -8.849 328 HG21 VAL 38 HG21 VAL 38 0.847 0.408 -6.041 329 HG22 VAL 38 HG22 VAL 38 -0.011 -0.628 -7.210 330 HG23 VAL 38 HG23 VAL 38 0.822 -1.337 -5.821 331 H TRP 39 HN TRP 39 3.696 -0.621 -9.723 332 HA TRP 39 HA TRP 39 5.982 -2.262 -10.302 333 HB2 TRP 39 HB2 TRP 39 5.255 -0.200 -11.494 334 HB3 TRP 39 HB3 TRP 39 5.516 0.740 -10.036 335 HD1 TRP 39 HD1 TRP 39 7.402 -1.100 -12.792 336 HE1 TRP 39 HE1 TRP 39 9.726 0.003 -13.089 337 HE3 TRP 39 HE3 TRP 39 7.411 2.031 -8.710 338 HZ2 TRP 39 HZ2 TRP 39 11.208 2.128 -11.926 339 HZ3 TRP 39 HZ3 TRP 39 9.270 3.595 -8.356 340 HH2 TRP 39 HH2 TRP 39 11.178 3.664 -9.986 341 H ASP 40 HN ASP 40 7.868 -2.590 -8.943 342 HA ASP 40 HA ASP 40 8.192 -1.085 -6.507 343 HB2 ASP 40 HB2 ASP 40 7.562 -2.585 -4.933 344 HB3 ASP 40 HB3 ASP 40 6.326 -2.943 -6.094 345 H ARG 41 HN ARG 41 10.405 -1.223 -5.895 346 HA ARG 41 HA ARG 41 12.221 -3.060 -7.223 347 HB2 ARG 41 HB2 ARG 41 13.070 -1.443 -8.880 348 HB3 ARG 41 HB3 ARG 41 11.422 -1.919 -9.188 349 HG2 ARG 41 HG2 ARG 41 10.869 0.236 -9.318 350 HG3 ARG 41 HG3 ARG 41 11.182 0.417 -7.602 351 HD2 ARG 41 HD2 ARG 41 12.446 2.067 -8.686 352 HD3 ARG 41 HD3 ARG 41 13.606 0.854 -8.131 353 HE ARG 41 HE ARG 41 12.645 0.487 -10.868 354 HH11 ARG 41 HH11 ARG 41 15.366 1.601 -8.965 355 HH12 ARG 41 HH12 ARG 41 16.190 2.387 -10.264 356 HH21 ARG 41 HH21 ARG 41 13.841 1.254 -12.651 357 HH22 ARG 41 HH22 ARG 41 15.343 2.116 -12.436 358 H LYS 42 HN LYS 42 14.524 -1.851 -7.397 359 HA LYS 42 HA LYS 42 14.874 -0.017 -5.140 360 HB2 LYS 42 HB2 LYS 42 16.962 -1.260 -4.460 361 HB3 LYS 42 HB3 LYS 42 15.428 -1.917 -3.977 362 HG2 LYS 42 HG2 LYS 42 16.866 -2.955 -6.437 363 HG3 LYS 42 HG3 LYS 42 17.324 -3.473 -4.821 364 HD2 LYS 42 HD2 LYS 42 14.595 -3.939 -6.087 365 HD3 LYS 42 HD3 LYS 42 15.889 -5.115 -5.861 366 HE2 LYS 42 HE2 LYS 42 15.741 -4.739 -3.377 367 HE3 LYS 42 HE3 LYS 42 14.344 -3.682 -3.657 368 HZ1 LYS 42 HZ1 LYS 42 13.704 -5.939 -3.101 369 HZ2 LYS 42 HZ2 LYS 42 14.492 -6.544 -4.396 370 HZ3 LYS 42 HZ3 LYS 42 13.173 -5.562 -4.606 371 H ARG 43 HN ARG 43 17.220 0.727 -5.081 372 HA ARG 43 HA ARG 43 18.303 1.462 -7.722 373 HB2 ARG 43 HB2 ARG 43 17.768 3.242 -5.268 374 HB3 ARG 43 HB3 ARG 43 18.981 3.629 -6.469 375 HG2 ARG 43 HG2 ARG 43 17.266 4.848 -7.301 376 HG3 ARG 43 HG3 ARG 43 17.081 3.350 -8.215 377 HD2 ARG 43 HD2 ARG 43 15.333 2.665 -6.460 378 HD3 ARG 43 HD3 ARG 43 15.484 4.306 -5.814 379 HE ARG 43 HE ARG 43 14.953 4.096 -8.694 380 HH11 ARG 43 HH11 ARG 43 13.540 4.773 -5.474 381 HH12 ARG 43 HH12 ARG 43 12.250 5.677 -6.144 382 HH21 ARG 43 HH21 ARG 43 13.064 5.099 -9.507 383 HH22 ARG 43 HH22 ARG 43 11.833 5.659 -8.444 384 H LYS 44 HN LYS 44 20.705 2.535 -6.808 385 HA LYS 44 HA LYS 44 22.070 0.126 -6.101 386 HB2 LYS 44 HB2 LYS 44 23.271 2.900 -5.831 387 HB3 LYS 44 HB3 LYS 44 24.068 1.373 -6.191 388 HG2 LYS 44 HG2 LYS 44 22.668 1.347 -8.362 389 HG3 LYS 44 HG3 LYS 44 22.327 3.051 -8.038 390 HD2 LYS 44 HD2 LYS 44 25.031 1.737 -8.479 391 HD3 LYS 44 HD3 LYS 44 24.193 2.780 -9.618 392 HE2 LYS 44 HE2 LYS 44 25.235 3.667 -6.891 393 HE3 LYS 44 HE3 LYS 44 26.117 3.829 -8.404 394 HZ1 LYS 44 HZ1 LYS 44 23.610 5.188 -7.678 395 HZ2 LYS 44 HZ2 LYS 44 24.276 5.241 -9.207 396 HZ3 LYS 44 HZ3 LYS 44 25.083 5.865 -7.914 397 H ASP 45 HN ASP 45 20.663 2.586 -4.107 398 HA ASP 45 HA ASP 45 21.520 1.501 -1.557 399 HB2 ASP 45 HB2 ASP 45 22.394 3.843 -1.127 400 HB3 ASP 45 HB3 ASP 45 23.375 2.803 -2.145 401 H GLU 46 HN GLU 46 18.900 1.864 -3.055 402 HA GLU 46 HA GLU 46 17.436 3.048 -0.879 403 HB2 GLU 46 HB2 GLU 46 18.034 4.810 -3.046 404 HB3 GLU 46 HB3 GLU 46 16.377 4.254 -3.319 405 HG2 GLU 46 HG2 GLU 46 15.642 5.024 -1.187 406 HG3 GLU 46 HG3 GLU 46 17.299 5.402 -0.666 407 H ALA 47 HN ALA 47 15.028 2.499 -1.200 408 HA ALA 47 HA ALA 47 14.316 0.855 -3.516 409 HB1 ALA 47 HB1 ALA 47 15.342 -0.731 -1.905 410 HB2 ALA 47 HB2 ALA 47 14.237 -0.136 -0.655 411 HB3 ALA 47 HB3 ALA 47 13.594 -0.997 -2.084 412 H VAL 48 HN VAL 48 12.052 0.539 -3.790 413 HA VAL 48 HA VAL 48 10.258 2.011 -1.983 414 HB VAL 48 HB VAL 48 9.130 2.963 -4.089 415 HG11 VAL 48 HG11 VAL 48 10.182 4.375 -2.417 416 HG12 VAL 48 HG12 VAL 48 11.776 4.137 -3.140 417 HG13 VAL 48 HG13 VAL 48 10.515 5.012 -4.030 418 HG21 VAL 48 HG21 VAL 48 10.422 1.793 -5.826 419 HG22 VAL 48 HG22 VAL 48 10.538 3.543 -5.986 420 HG23 VAL 48 HG23 VAL 48 11.906 2.629 -5.307 421 H LYS 49 HN LYS 49 8.533 0.742 -1.590 422 HA LYS 49 HA LYS 49 7.529 -0.942 -3.771 423 HB2 LYS 49 HB2 LYS 49 7.898 -2.075 -0.956 424 HB3 LYS 49 HB3 LYS 49 7.086 -2.850 -2.305 425 HG2 LYS 49 HG2 LYS 49 9.224 -3.017 -3.523 426 HG3 LYS 49 HG3 LYS 49 10.039 -2.068 -2.320 427 HD2 LYS 49 HD2 LYS 49 10.520 -4.489 -2.142 428 HD3 LYS 49 HD3 LYS 49 9.926 -3.724 -0.687 429 HE2 LYS 49 HE2 LYS 49 8.932 -5.907 -0.892 430 HE3 LYS 49 HE3 LYS 49 7.654 -4.679 -1.082 431 HZ1 LYS 49 HZ1 LYS 49 7.188 -5.612 -3.037 432 HZ2 LYS 49 HZ2 LYS 49 8.392 -6.714 -2.857 433 HZ3 LYS 49 HZ3 LYS 49 8.669 -5.301 -3.635 434 H GLN 50 HN GLN 50 5.944 0.454 -4.143 435 HA GLN 50 HA GLN 50 4.141 1.345 -2.000 436 HB2 GLN 50 HB2 GLN 50 4.135 1.771 -5.028 437 HB3 GLN 50 HB3 GLN 50 3.037 2.510 -3.886 438 HG2 GLN 50 HG2 GLN 50 4.458 4.235 -3.751 439 HG3 GLN 50 HG3 GLN 50 5.532 3.200 -2.803 440 HE21 GLN 50 HE21 GLN 50 5.903 5.450 -4.982 441 HE22 GLN 50 HE22 GLN 50 6.960 4.727 -6.145 442 H TYR 51 HN TYR 51 1.763 1.057 -2.500 443 HA TYR 51 HA TYR 51 1.031 -1.488 -3.773 444 HB2 TYR 51 HB2 TYR 51 0.485 -0.728 -0.893 445 HB3 TYR 51 HB3 TYR 51 -0.323 -2.017 -1.756 446 HD1 TYR 51 HD2 TYR 51 0.937 -3.980 -2.615 447 HD2 TYR 51 HD1 TYR 51 2.762 -1.033 -0.102 448 HE1 TYR 51 HE2 TYR 51 2.974 -5.387 -2.471 449 HE2 TYR 51 HE1 TYR 51 4.799 -2.377 0.078 450 HH TYR 51 HH TYR 51 5.226 -5.187 -2.019 451 H HIS 52 HN HIS 52 -1.315 -1.598 -4.148 452 HA HIS 52 HA HIS 52 -2.727 1.010 -4.118 453 HB2 HIS 52 HB2 HIS 52 -1.989 0.263 -6.414 454 HB3 HIS 52 HB3 HIS 52 -2.943 -1.201 -6.206 455 HD1 HIS 52 HD1 HIS 52 -4.488 2.202 -5.159 456 HD2 HIS 52 HD2 HIS 52 -4.369 -0.469 -8.422 457 HE1 HIS 52 HE1 HIS 52 -6.215 2.998 -6.794 458 H LEU 53 HN LEU 53 -4.933 0.829 -3.509 459 HA LEU 53 HA LEU 53 -6.023 -1.714 -2.611 460 HB2 LEU 53 HB2 LEU 53 -5.719 0.664 -0.714 461 HB3 LEU 53 HB3 LEU 53 -6.597 -0.830 -0.416 462 HG LEU 53 HG LEU 53 -4.216 -1.949 -0.905 463 HD11 LEU 53 HD11 LEU 53 -3.020 0.278 -1.262 464 HD12 LEU 53 HD12 LEU 53 -2.353 -0.703 0.049 465 HD13 LEU 53 HD13 LEU 53 -3.405 0.676 0.420 466 HD21 LEU 53 HD21 LEU 53 -3.732 -1.950 1.488 467 HD22 LEU 53 HD22 LEU 53 -5.414 -2.341 1.159 468 HD23 LEU 53 HD23 LEU 53 -4.992 -0.723 1.743 469 H THR 54 HN THR 54 -8.496 -0.795 -1.619 470 HA THR 54 HA THR 54 -9.214 1.535 -3.202 471 HB THR 54 HB THR 54 -9.927 -0.700 -4.508 472 HG1 THR 54 HG1 THR 54 -11.902 0.644 -4.995 473 HG21 THR 54 HG21 THR 54 -12.145 -1.422 -4.004 474 HG22 THR 54 HG22 THR 54 -12.401 -0.102 -2.846 475 HG23 THR 54 HG23 THR 54 -11.357 -1.466 -2.414 476 H LEU 55 HN LEU 55 -11.000 2.558 -2.290 477 HA LEU 55 HA LEU 55 -11.879 1.601 0.367 478 HB2 LEU 55 HB2 LEU 55 -10.828 4.359 -0.354 479 HB3 LEU 55 HB3 LEU 55 -12.005 4.142 0.926 480 HG LEU 55 HG LEU 55 -10.123 2.155 1.516 481 HD11 LEU 55 HD11 LEU 55 -7.988 3.483 1.752 482 HD12 LEU 55 HD12 LEU 55 -8.698 4.662 0.637 483 HD13 LEU 55 HD13 LEU 55 -8.406 2.973 0.125 484 HD21 LEU 55 HD21 LEU 55 -10.323 4.914 2.655 485 HD22 LEU 55 HD22 LEU 55 -9.564 3.490 3.433 486 HD23 LEU 55 HD23 LEU 55 -11.314 3.535 3.149 487 H ARG 56 HN ARG 56 -13.897 2.240 1.027 488 HA ARG 56 HA ARG 56 -15.745 3.134 -1.120 489 HB2 ARG 56 HB2 ARG 56 -15.689 0.676 -1.016 490 HB3 ARG 56 HB3 ARG 56 -16.110 0.756 0.694 491 HG2 ARG 56 HG2 ARG 56 -18.195 0.549 0.145 492 HG3 ARG 56 HG3 ARG 56 -18.175 2.181 -0.525 493 HD2 ARG 56 HD2 ARG 56 -17.910 1.378 -2.743 494 HD3 ARG 56 HD3 ARG 56 -17.386 -0.217 -2.186 495 HE ARG 56 HE ARG 56 -20.175 0.854 -2.006 496 HH11 ARG 56 HH11 ARG 56 -18.040 -1.926 -2.599 497 HH12 ARG 56 HH12 ARG 56 -19.283 -3.098 -2.476 498 HH21 ARG 56 HH21 ARG 56 -21.831 -0.691 -1.904 499 HH22 ARG 56 HH22 ARG 56 -21.508 -2.398 -2.051 500 H GLU 57 HN GLU 57 -17.153 4.639 -0.412 501 HA GLU 57 HA GLU 57 -17.482 5.153 2.501 502 HB2 GLU 57 HB2 GLU 57 -16.032 6.888 1.689 503 HB3 GLU 57 HB3 GLU 57 -16.931 7.071 0.193 504 HG2 GLU 57 HG2 GLU 57 -18.603 7.596 2.587 505 HG3 GLU 57 HG3 GLU 57 -17.175 8.610 2.536 506 H GLY 58 HN GLY 58 -19.457 4.341 2.752 507 HA2 GLY 58 HA1 GLY 58 -21.560 3.524 2.294 508 HA3 GLY 58 HA2 GLY 58 -21.861 5.200 1.816 509 H SER 59 HN SER 59 -22.214 5.650 -0.263 510 HA SER 59 HA SER 59 -22.715 3.391 -2.053 511 HB2 SER 59 HB2 SER 59 -23.555 6.287 -2.392 512 HB3 SER 59 HB3 SER 59 -24.268 4.829 -3.109 513 HG SER 59 HG SER 59 -24.351 5.701 -0.409 514 H LYS 60 HN LYS 60 -19.918 5.041 -1.726 515 HA LYS 60 HA LYS 60 -19.399 5.181 -4.668 516 HB2 LYS 60 HB2 LYS 60 -19.485 7.433 -3.846 517 HB3 LYS 60 HB3 LYS 60 -18.562 7.046 -2.404 518 HG2 LYS 60 HG2 LYS 60 -16.619 7.119 -3.494 519 HG3 LYS 60 HG3 LYS 60 -17.241 6.623 -5.069 520 HD2 LYS 60 HD2 LYS 60 -16.413 8.916 -5.064 521 HD3 LYS 60 HD3 LYS 60 -18.129 8.807 -5.495 522 HE2 LYS 60 HE2 LYS 60 -18.736 9.513 -3.188 523 HE3 LYS 60 HE3 LYS 60 -17.016 9.607 -2.767 524 HZ1 LYS 60 HZ1 LYS 60 -18.287 11.254 -4.885 525 HZ2 LYS 60 HZ2 LYS 60 -16.738 11.355 -4.356 526 HZ3 LYS 60 HZ3 LYS 60 -17.943 11.735 -3.327 527 H GLU 61 HN GLU 61 -17.322 4.473 -5.308 528 HA GLU 61 HA GLU 61 -15.528 3.347 -3.269 529 HB2 GLU 61 HB2 GLU 61 -16.986 1.696 -4.911 530 HB3 GLU 61 HB3 GLU 61 -15.650 2.076 -5.980 531 HG2 GLU 61 HG2 GLU 61 -14.354 1.439 -3.576 532 HG3 GLU 61 HG3 GLU 61 -15.754 0.425 -3.515 533 H PHE 62 HN PHE 62 -13.328 3.828 -3.728 534 HA PHE 62 HA PHE 62 -12.578 5.198 -6.197 535 HB2 PHE 62 HB2 PHE 62 -11.591 7.096 -4.958 536 HB3 PHE 62 HB3 PHE 62 -13.341 7.084 -4.847 537 HD1 PHE 62 HD2 PHE 62 -14.365 5.944 -2.679 538 HD2 PHE 62 HD1 PHE 62 -10.277 7.378 -2.927 539 HE1 PHE 62 HE2 PHE 62 -14.319 6.225 -0.240 540 HE2 PHE 62 HE1 PHE 62 -10.217 7.534 -0.485 541 HZ PHE 62 HZ PHE 62 -12.229 7.011 0.887 542 H GLY 63 HN GLY 63 -10.484 4.523 -6.673 543 HA2 GLY 63 HA1 GLY 63 -9.094 2.815 -4.763 544 HA3 GLY 63 HA2 GLY 63 -8.644 3.108 -6.452 545 H VAL 64 HN VAL 64 -7.294 3.233 -3.623 546 HA VAL 64 HA VAL 64 -5.821 5.761 -4.257 547 HB VAL 64 HB VAL 64 -5.617 6.282 -2.021 548 HG11 VAL 64 HG11 VAL 64 -8.223 6.038 -1.156 549 HG12 VAL 64 HG12 VAL 64 -7.594 7.319 -2.140 550 HG13 VAL 64 HG13 VAL 64 -8.389 5.998 -2.929 551 HG21 VAL 64 HG21 VAL 64 -6.473 5.011 -0.119 552 HG22 VAL 64 HG22 VAL 64 -6.670 3.616 -1.219 553 HG23 VAL 64 HG23 VAL 64 -5.084 4.327 -0.967 554 H PHE 65 HN PHE 65 -3.625 5.850 -3.247 555 HA PHE 65 HA PHE 65 -2.292 3.189 -3.413 556 HB2 PHE 65 HB2 PHE 65 -1.235 5.831 -4.468 557 HB3 PHE 65 HB3 PHE 65 -0.425 4.277 -4.511 558 HD1 PHE 65 HD1 PHE 65 -3.353 6.196 -5.846 559 HD2 PHE 65 HD2 PHE 65 -0.827 2.719 -6.300 560 HE1 PHE 65 HE1 PHE 65 -4.301 5.822 -8.102 561 HE2 PHE 65 HE2 PHE 65 -1.783 2.347 -8.567 562 HZ PHE 65 HZ PHE 65 -3.484 3.898 -9.470 563 H VAL 66 HN VAL 66 0.106 3.610 -2.565 564 HA VAL 66 HA VAL 66 0.117 5.153 -0.043 565 HB VAL 66 HB VAL 66 0.818 2.181 -0.318 566 HG11 VAL 66 HG11 VAL 66 0.848 4.052 2.097 567 HG12 VAL 66 HG12 VAL 66 0.988 2.297 2.194 568 HG13 VAL 66 HG13 VAL 66 2.239 3.213 1.373 569 HG21 VAL 66 HG21 VAL 66 -1.492 3.473 1.179 570 HG22 VAL 66 HG22 VAL 66 -1.647 2.479 -0.293 571 HG23 VAL 66 HG23 VAL 66 -1.074 1.747 1.182 572 H THR 67 HN THR 67 2.434 5.552 0.647 573 HA THR 67 HA THR 67 4.393 4.961 -1.497 574 HB THR 67 HB THR 67 4.232 7.613 -0.034 575 HG1 THR 67 HG1 THR 67 2.898 8.332 -1.417 576 HG21 THR 67 HG21 THR 67 6.422 6.970 -1.055 577 HG22 THR 67 HG22 THR 67 5.698 8.365 -1.870 578 HG23 THR 67 HG23 THR 67 5.621 6.759 -2.627 579 H ILE 68 HN ILE 68 6.167 3.917 -0.660 580 HA ILE 68 HA ILE 68 6.990 4.414 2.104 581 HB ILE 68 HB ILE 68 6.556 1.637 0.938 582 HG12 ILE 68 HG12 ILE 68 5.162 2.932 3.315 583 HG13 ILE 68 HG13 ILE 68 4.445 2.607 1.744 584 HG21 ILE 68 HG21 ILE 68 7.699 2.420 3.670 585 HG22 ILE 68 HG22 ILE 68 7.473 0.778 3.059 586 HG23 ILE 68 HG23 ILE 68 8.655 1.832 2.309 587 HD11 ILE 68 HD11 ILE 68 4.801 0.166 2.074 588 HD12 ILE 68 HD12 ILE 68 5.365 0.508 3.731 589 HD13 ILE 68 HD13 ILE 68 3.713 0.915 3.261 590 H SER 69 HN SER 69 9.160 4.707 2.071 591 HA SER 69 HA SER 69 10.801 3.730 -0.209 592 HB2 SER 69 HB2 SER 69 11.102 6.353 1.319 593 HB3 SER 69 HB3 SER 69 12.101 5.765 -0.035 594 HG SER 69 HG SER 69 10.556 7.365 -0.522 595 H PHE 70 HN PHE 70 12.927 2.954 0.526 596 HA PHE 70 HA PHE 70 13.590 3.191 3.331 597 HB2 PHE 70 HB2 PHE 70 13.421 0.836 3.884 598 HB3 PHE 70 HB3 PHE 70 11.844 1.467 3.508 599 HD1 PHE 70 HD2 PHE 70 10.983 1.019 1.001 600 HD2 PHE 70 HD1 PHE 70 14.277 -1.065 2.805 601 HE1 PHE 70 HE2 PHE 70 10.800 -0.749 -0.695 602 HE2 PHE 70 HE1 PHE 70 14.014 -2.916 1.176 603 HZ PHE 70 HZ PHE 70 12.251 -2.782 -0.570 604 H ASP 71 HN ASP 71 15.603 1.959 3.789 605 HA ASP 71 HA ASP 71 17.401 2.021 1.440 606 HB2 ASP 71 HB2 ASP 71 17.782 1.582 4.426 607 HB3 ASP 71 HB3 ASP 71 19.065 1.201 3.273 608 HA PRO 72 HA PRO 72 17.150 -2.454 1.018 609 HB2 PRO 72 HB2 PRO 72 19.285 -2.943 -0.566 610 HB3 PRO 72 HB3 PRO 72 17.820 -2.121 -1.177 611 HG2 PRO 72 HG2 PRO 72 20.437 -0.855 -0.256 612 HG3 PRO 72 HG3 PRO 72 19.501 -0.508 -1.748 613 HD2 PRO 72 HD2 PRO 72 19.259 1.021 0.515 614 HD3 PRO 72 HD3 PRO 72 17.863 0.687 -0.555 615 H TYR 73 HN TYR 73 19.945 -0.737 2.216 616 HA TYR 73 HA TYR 73 21.757 -2.611 2.996 617 HB2 TYR 73 HB2 TYR 73 20.838 -0.213 4.613 618 HB3 TYR 73 HB3 TYR 73 22.400 -1.003 4.746 619 HD1 TYR 73 HD2 TYR 73 23.303 -1.221 1.896 620 HD2 TYR 73 HD1 TYR 73 21.196 1.966 3.940 621 HE1 TYR 73 HE2 TYR 73 24.350 0.454 0.410 622 HE2 TYR 73 HE1 TYR 73 22.220 3.610 2.438 623 HH TYR 73 HH TYR 73 24.055 3.943 1.035 624 H SER 74 HN SER 74 19.227 -1.349 5.222 625 HA SER 74 HA SER 74 18.779 -4.020 6.370 626 HB2 SER 74 HB2 SER 74 20.635 -2.184 7.487 627 HB3 SER 74 HB3 SER 74 19.222 -2.157 8.545 628 HG SER 74 HG SER 74 20.775 -3.746 9.050 629 H GLN 75 HN GLN 75 17.123 -2.023 4.788 630 HA GLN 75 HA GLN 75 15.077 -1.103 4.799 631 HB2 GLN 75 HB2 GLN 75 14.557 -3.242 6.904 632 HB3 GLN 75 HB3 GLN 75 13.326 -2.223 6.221 633 HG2 GLN 75 HG2 GLN 75 13.064 -4.073 4.887 634 HG3 GLN 75 HG3 GLN 75 14.140 -3.101 3.895 635 HE21 GLN 75 HE21 GLN 75 15.485 -4.561 2.821 636 HE22 GLN 75 HE22 GLN 75 16.038 -6.033 3.596 637 H LYS 76 HN LYS 76 16.703 0.697 5.864 638 HA LYS 76 HA LYS 76 15.497 1.710 8.366 639 HB2 LYS 76 HB2 LYS 76 17.612 2.766 6.475 640 HB3 LYS 76 HB3 LYS 76 16.625 3.861 7.421 641 HG2 LYS 76 HG2 LYS 76 17.403 2.066 9.392 642 HG3 LYS 76 HG3 LYS 76 18.818 2.071 8.339 643 HD2 LYS 76 HD2 LYS 76 18.719 4.641 8.453 644 HD3 LYS 76 HD3 LYS 76 17.405 4.431 9.620 645 HE2 LYS 76 HE2 LYS 76 19.272 4.898 10.919 646 HE3 LYS 76 HE3 LYS 76 19.010 3.171 11.119 647 HZ1 LYS 76 HZ1 LYS 76 20.865 2.793 9.623 648 HZ2 LYS 76 HZ2 LYS 76 21.347 3.863 10.777 649 HZ3 LYS 76 HZ3 LYS 76 21.012 4.392 9.281 650 H VAL 77 HN VAL 77 13.495 2.524 8.224 651 HA VAL 77 HA VAL 77 12.109 2.877 5.720 652 HB VAL 77 HB VAL 77 11.470 3.933 8.496 653 HG11 VAL 77 HG11 VAL 77 9.141 3.927 7.735 654 HG12 VAL 77 HG12 VAL 77 10.123 4.966 6.704 655 HG13 VAL 77 HG13 VAL 77 9.656 3.349 6.125 656 HG21 VAL 77 HG21 VAL 77 10.041 1.939 8.802 657 HG22 VAL 77 HG22 VAL 77 10.705 1.273 7.293 658 HG23 VAL 77 HG23 VAL 77 11.758 1.531 8.709 659 H ASN 78 HN ASN 78 12.480 4.617 4.360 660 HA ASN 78 HA ASN 78 14.084 6.860 5.441 661 HB2 ASN 78 HB2 ASN 78 13.360 6.080 2.594 662 HB3 ASN 78 HB3 ASN 78 14.250 7.536 3.057 663 HD21 ASN 78 HD21 ASN 78 15.384 5.333 1.376 664 HD22 ASN 78 HD22 ASN 78 16.680 4.654 2.371 665 H LYS 79 HN LYS 79 10.956 6.244 3.774 666 HA LYS 79 HA LYS 79 9.724 8.339 5.369 667 HB2 LYS 79 HB2 LYS 79 10.042 8.578 2.351 668 HB3 LYS 79 HB3 LYS 79 8.649 9.245 3.195 669 HG2 LYS 79 HG2 LYS 79 10.290 10.570 4.657 670 HG3 LYS 79 HG3 LYS 79 11.517 10.157 3.438 671 HD2 LYS 79 HD2 LYS 79 10.093 11.121 1.667 672 HD3 LYS 79 HD3 LYS 79 8.830 11.478 2.859 673 HE2 LYS 79 HE2 LYS 79 10.312 13.048 4.021 674 HE3 LYS 79 HE3 LYS 79 11.607 12.709 2.851 675 HZ1 LYS 79 HZ1 LYS 79 10.325 14.703 2.261 676 HZ2 LYS 79 HZ2 LYS 79 8.941 13.811 2.163 677 HZ3 LYS 79 HZ3 LYS 79 10.129 13.524 1.103 678 H ILE 80 HN ILE 80 7.410 8.107 5.355 679 HA ILE 80 HA ILE 80 6.164 6.102 3.604 680 HB ILE 80 HB ILE 80 5.962 6.213 6.647 681 HG12 ILE 80 HG12 ILE 80 6.645 4.015 4.655 682 HG13 ILE 80 HG13 ILE 80 7.775 4.836 5.724 683 HG21 ILE 80 HG21 ILE 80 4.140 4.713 4.718 684 HG22 ILE 80 HG22 ILE 80 4.117 4.568 6.491 685 HG23 ILE 80 HG23 ILE 80 3.692 6.090 5.757 686 HD11 ILE 80 HD11 ILE 80 5.581 2.911 6.553 687 HD12 ILE 80 HD12 ILE 80 7.326 2.693 6.680 688 HD13 ILE 80 HD13 ILE 80 6.521 3.920 7.687 689 H ALA 81 HN ALA 81 4.134 6.801 2.882 690 HA ALA 81 HA ALA 81 2.651 8.863 4.199 691 HB1 ALA 81 HB1 ALA 81 3.986 10.384 2.899 692 HB2 ALA 81 HB2 ALA 81 3.826 9.383 1.431 693 HB3 ALA 81 HB3 ALA 81 2.438 10.270 2.089 694 H ILE 82 HN ILE 82 0.704 9.312 2.519 695 HA ILE 82 HA ILE 82 -0.338 6.711 1.541 696 HB ILE 82 HB ILE 82 -1.675 8.892 3.110 697 HG12 ILE 82 HG12 ILE 82 -0.287 7.157 4.361 698 HG13 ILE 82 HG13 ILE 82 -1.949 7.346 4.828 699 HG21 ILE 82 HG21 ILE 82 -2.943 6.572 1.640 700 HG22 ILE 82 HG22 ILE 82 -3.722 7.373 3.014 701 HG23 ILE 82 HG23 ILE 82 -3.355 8.298 1.561 702 HD11 ILE 82 HD11 ILE 82 -0.961 5.061 3.119 703 HD12 ILE 82 HD12 ILE 82 -1.213 4.993 4.874 704 HD13 ILE 82 HD13 ILE 82 -2.594 5.246 3.801 705 H LEU 83 HN LEU 83 -2.013 7.196 -0.348 706 HA LEU 83 HA LEU 83 -1.785 9.870 -1.501 707 HB2 LEU 83 HB2 LEU 83 -0.074 8.201 -2.528 708 HB3 LEU 83 HB3 LEU 83 -1.484 7.329 -3.091 709 HG LEU 83 HG LEU 83 -1.813 10.087 -3.832 710 HD11 LEU 83 HD11 LEU 83 0.628 10.338 -3.565 711 HD12 LEU 83 HD12 LEU 83 0.134 10.482 -5.260 712 HD13 LEU 83 HD13 LEU 83 0.881 8.980 -4.688 713 HD21 LEU 83 HD21 LEU 83 -2.781 8.179 -5.020 714 HD22 LEU 83 HD22 LEU 83 -1.155 7.737 -5.619 715 HD23 LEU 83 HD23 LEU 83 -1.895 9.265 -6.093 716 H GLU 84 HN GLU 84 -3.613 9.863 -3.391 717 HA GLU 84 HA GLU 84 -5.884 8.191 -2.722 718 HB2 GLU 84 HB2 GLU 84 -5.791 10.371 -1.275 719 HB3 GLU 84 HB3 GLU 84 -6.103 11.171 -2.837 720 HG2 GLU 84 HG2 GLU 84 -8.209 9.665 -2.910 721 HG3 GLU 84 HG3 GLU 84 -7.887 9.371 -1.217 722 H GLU 85 HN GLU 85 -7.368 8.126 -4.591 723 HA GLU 85 HA GLU 85 -6.559 9.781 -6.929 724 HB2 GLU 85 HB2 GLU 85 -6.954 7.293 -7.204 725 HB3 GLU 85 HB3 GLU 85 -8.641 7.593 -6.728 726 HG2 GLU 85 HG2 GLU 85 -9.156 8.006 -8.840 727 HG3 GLU 85 HG3 GLU 85 -8.124 9.454 -8.766 728 H TYR 86 HN TYR 86 -7.915 11.465 -7.524 729 HA TYR 86 HA TYR 86 -10.652 11.640 -6.700 730 HB2 TYR 86 HB2 TYR 86 -10.543 13.792 -5.686 731 HB3 TYR 86 HB3 TYR 86 -9.420 12.785 -4.800 732 HD1 TYR 86 HD1 TYR 86 -9.781 15.659 -7.101 733 HD2 TYR 86 HD2 TYR 86 -6.956 13.184 -4.976 734 HE1 TYR 86 HE1 TYR 86 -8.044 17.300 -7.534 735 HE2 TYR 86 HE2 TYR 86 -5.160 14.826 -5.466 736 HH TYR 86 HH TYR 86 -5.823 17.797 -7.421 737 H GLN 87 HN GLN 87 -11.508 13.764 -8.074 738 HA GLN 87 HA GLN 87 -9.773 14.370 -10.342 739 HB2 GLN 87 HB2 GLN 87 -12.438 12.964 -10.783 740 HB3 GLN 87 HB3 GLN 87 -11.474 13.773 -12.018 741 HG2 GLN 87 HG2 GLN 87 -10.757 11.695 -12.457 742 HG3 GLN 87 HG3 GLN 87 -9.626 11.982 -11.172 743 HE21 GLN 87 HE21 GLN 87 -9.746 10.436 -9.481 744 HE22 GLN 87 HE22 GLN 87 -11.083 9.327 -9.240 Start of MODEL 19 1 H1 GLY 1 HN GLY 1 -15.954 -11.836 7.280 2 HA2 GLY 1 HA1 GLY 1 -16.359 -10.027 5.655 3 HA3 GLY 1 HA2 GLY 1 -14.782 -9.846 6.467 4 H GLU 2 HN GLU 2 -15.972 -9.337 3.511 5 HA GLU 2 HA GLU 2 -14.039 -10.852 1.931 6 HB2 GLU 2 HB2 GLU 2 -15.867 -8.537 1.172 7 HB3 GLU 2 HB3 GLU 2 -14.804 -9.424 0.078 8 HG2 GLU 2 HG2 GLU 2 -16.729 -10.575 -0.312 9 HG3 GLU 2 HG3 GLU 2 -16.091 -11.566 0.995 10 H GLU 3 HN GLU 3 -12.033 -10.384 2.701 11 HA GLU 3 HA GLU 3 -11.130 -7.601 3.076 12 HB2 GLU 3 HB2 GLU 3 -9.684 -10.268 3.329 13 HB3 GLU 3 HB3 GLU 3 -9.017 -8.700 3.791 14 HG2 GLU 3 HG2 GLU 3 -10.628 -8.443 5.566 15 HG3 GLU 3 HG3 GLU 3 -11.550 -9.858 5.049 16 H THR 4 HN THR 4 -10.428 -10.489 1.033 17 HA THR 4 HA THR 4 -9.602 -8.864 -1.207 18 HB THR 4 HB THR 4 -7.402 -10.639 -0.954 19 HG1 THR 4 HG1 THR 4 -7.568 -10.846 1.262 20 HG21 THR 4 HG21 THR 4 -6.081 -8.672 -0.932 21 HG22 THR 4 HG22 THR 4 -7.428 -7.690 -0.270 22 HG23 THR 4 HG23 THR 4 -7.494 -8.316 -1.923 23 HA PRO 5 HA PRO 5 -11.220 -12.343 -3.167 24 HB2 PRO 5 HB2 PRO 5 -10.168 -12.354 -5.672 25 HB3 PRO 5 HB3 PRO 5 -11.114 -10.979 -5.028 26 HG2 PRO 5 HG2 PRO 5 -8.100 -11.234 -5.165 27 HG3 PRO 5 HG3 PRO 5 -9.114 -9.852 -5.689 28 HD2 PRO 5 HD2 PRO 5 -7.899 -9.988 -3.244 29 HD3 PRO 5 HD3 PRO 5 -9.448 -9.132 -3.493 30 H LEU 6 HN LEU 6 -7.854 -12.551 -2.507 31 HA LEU 6 HA LEU 6 -7.638 -15.360 -3.537 32 HB2 LEU 6 HB2 LEU 6 -5.532 -13.264 -2.896 33 HB3 LEU 6 HB3 LEU 6 -5.171 -14.903 -3.381 34 HG LEU 6 HG LEU 6 -6.850 -13.145 -5.203 35 HD11 LEU 6 HD11 LEU 6 -4.793 -12.438 -6.345 36 HD12 LEU 6 HD12 LEU 6 -3.806 -13.218 -5.086 37 HD13 LEU 6 HD13 LEU 6 -4.847 -11.832 -4.687 38 HD21 LEU 6 HD21 LEU 6 -4.923 -15.446 -5.754 39 HD22 LEU 6 HD22 LEU 6 -5.920 -14.590 -6.942 40 HD23 LEU 6 HD23 LEU 6 -6.705 -15.570 -5.706 41 H VAL 7 HN VAL 7 -9.121 -15.443 -1.424 42 HA VAL 7 HA VAL 7 -8.053 -14.967 1.097 43 HB VAL 7 HB VAL 7 -9.841 -16.340 1.952 44 HG11 VAL 7 HG11 VAL 7 -10.844 -14.929 -0.572 45 HG12 VAL 7 HG12 VAL 7 -11.711 -15.208 0.943 46 HG13 VAL 7 HG13 VAL 7 -10.330 -14.111 0.915 47 HG21 VAL 7 HG21 VAL 7 -9.707 -18.343 0.540 48 HG22 VAL 7 HG22 VAL 7 -11.329 -17.663 0.454 49 HG23 VAL 7 HG23 VAL 7 -10.201 -17.416 -0.894 50 H THR 8 HN THR 8 -6.939 -17.287 -1.051 51 HA THR 8 HA THR 8 -5.979 -19.126 1.066 52 HB THR 8 HB THR 8 -7.390 -19.900 -0.895 53 HG1 THR 8 HG1 THR 8 -4.967 -21.267 -0.896 54 HG21 THR 8 HG21 THR 8 -6.353 -20.320 -3.036 55 HG22 THR 8 HG22 THR 8 -4.820 -19.600 -2.504 56 HG23 THR 8 HG23 THR 8 -6.260 -18.590 -2.688 57 H ALA 9 HN ALA 9 -4.918 -16.371 0.054 58 HA ALA 9 HA ALA 9 -2.152 -17.048 -0.710 59 HB1 ALA 9 HB1 ALA 9 -3.476 -14.353 -0.226 60 HB2 ALA 9 HB2 ALA 9 -1.865 -14.638 -0.910 61 HB3 ALA 9 HB3 ALA 9 -3.318 -15.157 -1.804 62 H ARG 10 HN ARG 10 -0.555 -17.186 0.739 63 HA ARG 10 HA ARG 10 -0.864 -16.160 3.510 64 HB2 ARG 10 HB2 ARG 10 0.350 -18.842 2.703 65 HB3 ARG 10 HB3 ARG 10 0.209 -18.213 4.335 66 HG2 ARG 10 HG2 ARG 10 -2.121 -19.076 2.550 67 HG3 ARG 10 HG3 ARG 10 -1.394 -20.020 3.844 68 HD2 ARG 10 HD2 ARG 10 -2.053 -18.263 5.485 69 HD3 ARG 10 HD3 ARG 10 -2.908 -17.402 4.194 70 HE ARG 10 HE ARG 10 -4.002 -19.863 3.979 71 HH11 ARG 10 HH11 ARG 10 -3.643 -17.661 6.742 72 HH12 ARG 10 HH12 ARG 10 -4.990 -18.280 7.621 73 HH21 ARG 10 HH21 ARG 10 -5.709 -20.839 5.237 74 HH22 ARG 10 HH22 ARG 10 -6.196 -20.098 6.721 75 H HIS 11 HN HIS 11 1.563 -16.358 4.486 76 HA HIS 11 HA HIS 11 3.613 -15.426 4.490 77 HB2 HIS 11 HB2 HIS 11 4.187 -17.511 3.395 78 HB3 HIS 11 HB3 HIS 11 3.831 -16.829 1.818 79 HD1 HIS 11 HD1 HIS 11 6.465 -17.851 1.544 80 HD2 HIS 11 HD2 HIS 11 5.844 -14.241 3.639 81 HE1 HIS 11 HE1 HIS 11 8.675 -16.594 1.510 82 H MET 12 HN MET 12 2.335 -13.402 4.470 83 HA MET 12 HA MET 12 2.227 -11.829 2.041 84 HB2 MET 12 HB2 MET 12 1.881 -11.180 4.981 85 HB3 MET 12 HB3 MET 12 1.811 -9.941 3.723 86 HG2 MET 12 HG2 MET 12 -0.013 -11.106 2.593 87 HG3 MET 12 HG3 MET 12 0.076 -12.436 3.738 88 HE1 MET 12 HE1 MET 12 -0.793 -8.569 3.378 89 HE2 MET 12 HE2 MET 12 -1.505 -8.232 4.976 90 HE3 MET 12 HE3 MET 12 0.225 -8.577 4.837 91 H SER 13 HN SER 13 3.435 -10.001 1.517 92 HA SER 13 HA SER 13 6.258 -10.350 1.646 93 HB2 SER 13 HB2 SER 13 4.649 -9.357 -0.191 94 HB3 SER 13 HB3 SER 13 4.765 -7.859 0.720 95 HG SER 13 HG SER 13 6.388 -8.770 -1.108 96 H LYS 14 HN LYS 14 7.636 -8.274 2.099 97 HA LYS 14 HA LYS 14 7.650 -8.027 4.925 98 HB2 LYS 14 HB2 LYS 14 9.648 -7.796 3.410 99 HB3 LYS 14 HB3 LYS 14 9.011 -6.251 2.852 100 HG2 LYS 14 HG2 LYS 14 10.612 -5.658 4.473 101 HG3 LYS 14 HG3 LYS 14 9.103 -5.513 5.348 102 HD2 LYS 14 HD2 LYS 14 9.607 -8.004 6.110 103 HD3 LYS 14 HD3 LYS 14 11.255 -7.645 5.554 104 HE2 LYS 14 HE2 LYS 14 11.160 -5.547 7.044 105 HE3 LYS 14 HE3 LYS 14 9.609 -6.129 7.632 106 HZ1 LYS 14 HZ1 LYS 14 12.264 -7.170 8.195 107 HZ2 LYS 14 HZ2 LYS 14 11.015 -8.250 8.181 108 HZ3 LYS 14 HZ3 LYS 14 10.957 -6.968 9.178 109 H TRP 15 HN TRP 15 6.664 -5.569 2.486 110 HA TRP 15 HA TRP 15 5.837 -3.767 4.703 111 HB2 TRP 15 HB2 TRP 15 5.945 -3.067 1.810 112 HB3 TRP 15 HB3 TRP 15 5.879 -2.001 3.179 113 HD1 TRP 15 HD1 TRP 15 8.328 -4.014 1.070 114 HE1 TRP 15 HE1 TRP 15 10.726 -3.405 1.686 115 HE3 TRP 15 HE3 TRP 15 7.397 -1.064 5.188 116 HZ2 TRP 15 HZ2 TRP 15 12.056 -1.779 3.712 117 HZ3 TRP 15 HZ3 TRP 15 9.228 -0.262 6.552 118 HH2 TRP 15 HH2 TRP 15 11.590 -0.603 5.843 119 H GLU 16 HN GLU 16 4.317 -6.235 3.316 120 HA GLU 16 HA GLU 16 2.133 -5.148 1.956 121 HB2 GLU 16 HB2 GLU 16 3.048 -7.775 2.779 122 HB3 GLU 16 HB3 GLU 16 1.347 -7.616 3.164 123 HG2 GLU 16 HG2 GLU 16 1.005 -6.734 0.833 124 HG3 GLU 16 HG3 GLU 16 2.668 -7.228 0.463 125 H GLU 17 HN GLU 17 2.232 -6.250 5.410 126 HA GLU 17 HA GLU 17 -0.471 -5.350 5.907 127 HB2 GLU 17 HB2 GLU 17 1.857 -6.112 7.734 128 HB3 GLU 17 HB3 GLU 17 0.390 -5.350 8.351 129 HG2 GLU 17 HG2 GLU 17 -0.919 -7.222 7.127 130 HG3 GLU 17 HG3 GLU 17 0.630 -8.052 7.011 131 H ILE 18 HN ILE 18 2.726 -3.838 6.241 132 HA ILE 18 HA ILE 18 1.891 -1.637 7.869 133 HB ILE 18 HB ILE 18 4.172 -1.499 5.866 134 HG12 ILE 18 HG12 ILE 18 4.410 -2.818 8.620 135 HG13 ILE 18 HG13 ILE 18 4.380 -3.708 7.096 136 HG21 ILE 18 HG21 ILE 18 3.573 0.521 7.172 137 HG22 ILE 18 HG22 ILE 18 3.747 -0.379 8.686 138 HG23 ILE 18 HG23 ILE 18 5.155 -0.064 7.658 139 HD11 ILE 18 HD11 ILE 18 6.363 -2.476 6.312 140 HD12 ILE 18 HD12 ILE 18 6.535 -1.736 7.912 141 HD13 ILE 18 HD13 ILE 18 6.679 -3.482 7.706 142 H ALA 19 HN ALA 19 2.064 -2.046 4.330 143 HA ALA 19 HA ALA 19 1.055 0.519 3.652 144 HB1 ALA 19 HB1 ALA 19 0.470 -0.512 1.507 145 HB2 ALA 19 HB2 ALA 19 2.076 -1.047 2.052 146 HB3 ALA 19 HB3 ALA 19 0.686 -2.139 2.195 147 H VAL 20 HN VAL 20 -0.727 -2.599 4.133 148 HA VAL 20 HA VAL 20 -3.254 -1.508 3.446 149 HB VAL 20 HB VAL 20 -2.383 -3.982 4.994 150 HG11 VAL 20 HG11 VAL 20 -4.697 -3.530 5.705 151 HG12 VAL 20 HG12 VAL 20 -5.203 -3.337 4.012 152 HG13 VAL 20 HG13 VAL 20 -4.644 -4.918 4.624 153 HG21 VAL 20 HG21 VAL 20 -1.838 -3.676 2.509 154 HG22 VAL 20 HG22 VAL 20 -2.704 -5.138 2.944 155 HG23 VAL 20 HG23 VAL 20 -3.569 -3.756 2.199 156 H LYS 21 HN LYS 21 -1.651 -1.913 6.639 157 HA LYS 21 HA LYS 21 -3.847 -1.145 8.274 158 HB2 LYS 21 HB2 LYS 21 -0.825 -0.916 8.596 159 HB3 LYS 21 HB3 LYS 21 -1.942 -0.312 9.830 160 HG2 LYS 21 HG2 LYS 21 -2.949 -2.495 10.123 161 HG3 LYS 21 HG3 LYS 21 -2.003 -3.184 8.799 162 HD2 LYS 21 HD2 LYS 21 0.073 -2.853 9.987 163 HD3 LYS 21 HD3 LYS 21 -0.731 -1.969 11.294 164 HE2 LYS 21 HE2 LYS 21 -1.398 -4.864 10.577 165 HE3 LYS 21 HE3 LYS 21 -0.137 -4.426 11.726 166 HZ1 LYS 21 HZ1 LYS 21 -2.988 -3.701 12.058 167 HZ2 LYS 21 HZ2 LYS 21 -1.777 -3.305 13.082 168 HZ3 LYS 21 HZ3 LYS 21 -2.137 -4.878 12.872 169 H GLU 22 HN GLU 22 -1.229 0.892 6.799 170 HA GLU 22 HA GLU 22 -2.338 3.322 7.709 171 HB2 GLU 22 HB2 GLU 22 -0.524 2.802 5.370 172 HB3 GLU 22 HB3 GLU 22 -0.966 4.403 6.029 173 HG2 GLU 22 HG2 GLU 22 0.386 2.234 7.641 174 HG3 GLU 22 HG3 GLU 22 1.228 3.566 6.889 175 H ALA 23 HN ALA 23 -2.868 1.499 4.683 176 HA ALA 23 HA ALA 23 -4.695 3.293 3.493 177 HB1 ALA 23 HB1 ALA 23 -3.421 1.521 2.323 178 HB2 ALA 23 HB2 ALA 23 -4.488 0.300 3.071 179 HB3 ALA 23 HB3 ALA 23 -5.158 1.506 1.957 180 H LYS 24 HN LYS 24 -5.350 1.314 6.264 181 HA LYS 24 HA LYS 24 -8.278 1.806 5.776 182 HB2 LYS 24 HB2 LYS 24 -8.881 0.295 7.380 183 HB3 LYS 24 HB3 LYS 24 -7.806 -0.483 6.209 184 HG2 LYS 24 HG2 LYS 24 -6.004 -0.585 7.778 185 HG3 LYS 24 HG3 LYS 24 -6.839 0.553 8.851 186 HD2 LYS 24 HD2 LYS 24 -6.978 -1.658 9.802 187 HD3 LYS 24 HD3 LYS 24 -8.594 -1.103 9.306 188 HE2 LYS 24 HE2 LYS 24 -8.486 -2.452 7.268 189 HE3 LYS 24 HE3 LYS 24 -6.825 -2.946 7.654 190 HZ1 LYS 24 HZ1 LYS 24 -7.612 -4.555 8.880 191 HZ2 LYS 24 HZ2 LYS 24 -9.166 -4.143 8.460 192 HZ3 LYS 24 HZ3 LYS 24 -8.504 -3.530 9.834 193 H LYS 25 HN LYS 25 -5.556 2.436 8.041 194 HA LYS 25 HA LYS 25 -7.293 3.537 10.046 195 HB2 LYS 25 HB2 LYS 25 -5.273 4.050 11.257 196 HB3 LYS 25 HB3 LYS 25 -5.122 2.475 10.496 197 HG2 LYS 25 HG2 LYS 25 -3.082 3.245 9.902 198 HG3 LYS 25 HG3 LYS 25 -4.015 3.920 8.582 199 HD2 LYS 25 HD2 LYS 25 -2.719 5.698 9.094 200 HD3 LYS 25 HD3 LYS 25 -4.153 6.096 10.034 201 HE2 LYS 25 HE2 LYS 25 -2.222 4.389 11.507 202 HE3 LYS 25 HE3 LYS 25 -1.486 5.868 10.890 203 HZ1 LYS 25 HZ1 LYS 25 -2.359 6.296 13.045 204 HZ2 LYS 25 HZ2 LYS 25 -3.915 5.862 12.574 205 HZ3 LYS 25 HZ3 LYS 25 -3.142 7.156 11.946 206 H ARG 26 HN ARG 26 -5.433 4.999 7.474 207 HA ARG 26 HA ARG 26 -5.839 7.729 8.300 208 HB2 ARG 26 HB2 ARG 26 -4.073 6.770 6.738 209 HB3 ARG 26 HB3 ARG 26 -5.314 6.629 5.506 210 HG2 ARG 26 HG2 ARG 26 -5.014 8.762 4.895 211 HG3 ARG 26 HG3 ARG 26 -5.378 9.340 6.532 212 HD2 ARG 26 HD2 ARG 26 -3.135 9.118 7.261 213 HD3 ARG 26 HD3 ARG 26 -2.668 8.272 5.778 214 HE ARG 26 HE ARG 26 -3.636 10.637 4.826 215 HH11 ARG 26 HH11 ARG 26 -1.065 9.747 7.117 216 HH12 ARG 26 HH12 ARG 26 -0.120 11.175 6.813 217 HH21 ARG 26 HH21 ARG 26 -2.415 12.357 4.332 218 HH22 ARG 26 HH22 ARG 26 -0.893 12.736 5.083 219 H TYR 27 HN TYR 27 -8.241 5.549 7.409 220 HA TYR 27 HA TYR 27 -9.865 7.574 5.977 221 HB2 TYR 27 HB2 TYR 27 -9.455 4.654 5.188 222 HB3 TYR 27 HB3 TYR 27 -10.549 5.815 4.449 223 HD1 TYR 27 HD1 TYR 27 -9.594 7.869 3.316 224 HD2 TYR 27 HD2 TYR 27 -7.177 4.532 4.552 225 HE1 TYR 27 HE1 TYR 27 -7.778 8.624 1.796 226 HE2 TYR 27 HE2 TYR 27 -5.371 5.254 3.005 227 HH TYR 27 HH TYR 27 -5.397 8.353 1.480 228 HA PRO 28 HA PRO 28 -12.105 5.610 9.480 229 HB2 PRO 28 HB2 PRO 28 -13.114 7.956 10.547 230 HB3 PRO 28 HB3 PRO 28 -11.554 7.211 11.003 231 HG2 PRO 28 HG2 PRO 28 -12.035 9.580 9.226 232 HG3 PRO 28 HG3 PRO 28 -10.621 9.177 10.270 233 HD2 PRO 28 HD2 PRO 28 -10.709 8.873 7.526 234 HD3 PRO 28 HD3 PRO 28 -9.544 8.142 8.667 235 H LEU 29 HN LEU 29 -12.888 7.831 6.850 236 HA LEU 29 HA LEU 29 -15.765 7.349 7.132 237 HB2 LEU 29 HB2 LEU 29 -14.096 8.966 5.182 238 HB3 LEU 29 HB3 LEU 29 -15.789 8.661 4.901 239 HG LEU 29 HG LEU 29 -15.530 10.827 5.886 240 HD11 LEU 29 HD11 LEU 29 -17.528 9.356 6.441 241 HD12 LEU 29 HD12 LEU 29 -17.192 10.668 7.588 242 HD13 LEU 29 HD13 LEU 29 -16.744 9.007 8.005 243 HD21 LEU 29 HD21 LEU 29 -14.724 11.220 8.132 244 HD22 LEU 29 HD22 LEU 29 -13.456 10.373 7.232 245 HD23 LEU 29 HD23 LEU 29 -14.474 9.482 8.397 246 H ALA 30 HN ALA 30 -13.220 5.572 5.710 247 HA ALA 30 HA ALA 30 -15.034 4.313 3.731 248 HB1 ALA 30 HB1 ALA 30 -13.599 6.055 2.623 249 HB2 ALA 30 HB2 ALA 30 -12.166 5.197 3.197 250 HB3 ALA 30 HB3 ALA 30 -13.266 4.411 2.051 251 H GLN 31 HN GLN 31 -13.647 2.294 2.813 252 HA GLN 31 HA GLN 31 -12.234 0.952 5.056 253 HB2 GLN 31 HB2 GLN 31 -14.479 -0.320 3.463 254 HB3 GLN 31 HB3 GLN 31 -13.643 -1.016 4.862 255 HG2 GLN 31 HG2 GLN 31 -14.653 0.717 6.334 256 HG3 GLN 31 HG3 GLN 31 -15.452 1.442 4.921 257 HE21 GLN 31 HE21 GLN 31 -16.475 -0.567 3.509 258 HE22 GLN 31 HE22 GLN 31 -17.769 -1.274 4.488 259 H VAL 32 HN VAL 32 -10.970 -0.877 4.305 260 HA VAL 32 HA VAL 32 -10.102 -0.518 1.499 261 HB VAL 32 HB VAL 32 -8.643 -0.119 3.506 262 HG11 VAL 32 HG11 VAL 32 -8.390 -3.139 3.601 263 HG12 VAL 32 HG12 VAL 32 -7.449 -1.970 4.528 264 HG13 VAL 32 HG13 VAL 32 -9.201 -2.153 4.840 265 HG21 VAL 32 HG21 VAL 32 -7.629 -2.075 1.436 266 HG22 VAL 32 HG22 VAL 32 -7.786 -0.312 1.234 267 HG23 VAL 32 HG23 VAL 32 -6.647 -0.971 2.425 268 H LEU 33 HN LEU 33 -10.407 -2.006 -0.099 269 HA LEU 33 HA LEU 33 -11.603 -4.614 0.591 270 HB2 LEU 33 HB2 LEU 33 -11.746 -2.812 -1.864 271 HB3 LEU 33 HB3 LEU 33 -12.691 -4.266 -1.554 272 HG LEU 33 HG LEU 33 -13.537 -3.021 0.589 273 HD11 LEU 33 HD11 LEU 33 -12.110 -0.955 0.222 274 HD12 LEU 33 HD12 LEU 33 -13.824 -0.628 0.315 275 HD13 LEU 33 HD13 LEU 33 -12.970 -0.682 -1.276 276 HD21 LEU 33 HD21 LEU 33 -14.289 -2.301 -2.263 277 HD22 LEU 33 HD22 LEU 33 -15.345 -2.023 -0.881 278 HD23 LEU 33 HD23 LEU 33 -14.894 -3.703 -1.339 279 H PHE 34 HN PHE 34 -8.664 -3.585 -0.417 280 HA PHE 34 HA PHE 34 -8.115 -6.013 -2.016 281 HB2 PHE 34 HB2 PHE 34 -8.035 -3.236 -3.073 282 HB3 PHE 34 HB3 PHE 34 -6.560 -4.108 -3.310 283 HD1 PHE 34 HD2 PHE 34 -10.255 -4.310 -3.988 284 HD2 PHE 34 HD1 PHE 34 -6.296 -5.615 -5.101 285 HE1 PHE 34 HE2 PHE 34 -11.153 -5.279 -6.076 286 HE2 PHE 34 HE1 PHE 34 -7.187 -6.562 -7.181 287 HZ PHE 34 HZ PHE 34 -9.633 -6.405 -7.689 288 H LYS 35 HN LYS 35 -5.755 -6.426 -2.078 289 HA LYS 35 HA LYS 35 -4.022 -4.880 -0.273 290 HB2 LYS 35 HB2 LYS 35 -4.438 -7.836 0.206 291 HB3 LYS 35 HB3 LYS 35 -3.234 -6.785 0.952 292 HG2 LYS 35 HG2 LYS 35 -5.167 -5.417 1.893 293 HG3 LYS 35 HG3 LYS 35 -6.246 -6.699 1.370 294 HD2 LYS 35 HD2 LYS 35 -3.920 -6.976 3.325 295 HD3 LYS 35 HD3 LYS 35 -5.643 -6.897 3.714 296 HE2 LYS 35 HE2 LYS 35 -5.537 -9.149 3.762 297 HE3 LYS 35 HE3 LYS 35 -5.752 -8.977 2.027 298 HZ1 LYS 35 HZ1 LYS 35 -3.973 -10.478 2.485 299 HZ2 LYS 35 HZ2 LYS 35 -3.174 -9.408 3.407 300 HZ3 LYS 35 HZ3 LYS 35 -3.326 -9.185 1.767 301 H GLN 36 HN GLN 36 -3.693 -4.608 -2.941 302 HA GLN 36 HA GLN 36 -1.916 -6.834 -3.758 303 HB2 GLN 36 HB2 GLN 36 -2.214 -6.319 -5.986 304 HB3 GLN 36 HB3 GLN 36 -3.795 -6.563 -5.275 305 HG2 GLN 36 HG2 GLN 36 -4.375 -4.280 -5.627 306 HG3 GLN 36 HG3 GLN 36 -2.684 -3.778 -5.790 307 HE21 GLN 36 HE21 GLN 36 -1.445 -4.656 -7.642 308 HE22 GLN 36 HE22 GLN 36 -2.239 -5.417 -8.977 309 H LYS 37 HN LYS 37 -0.006 -6.451 -4.749 310 HA LYS 37 HA LYS 37 1.413 -3.989 -4.034 311 HB2 LYS 37 HB2 LYS 37 2.455 -6.515 -5.424 312 HB3 LYS 37 HB3 LYS 37 3.415 -5.190 -4.774 313 HG2 LYS 37 HG2 LYS 37 3.612 -6.412 -2.899 314 HG3 LYS 37 HG3 LYS 37 1.969 -5.913 -2.569 315 HD2 LYS 37 HD2 LYS 37 1.858 -8.179 -2.186 316 HD3 LYS 37 HD3 LYS 37 1.259 -8.081 -3.846 317 HE2 LYS 37 HE2 LYS 37 3.595 -8.536 -4.652 318 HE3 LYS 37 HE3 LYS 37 4.128 -8.652 -2.969 319 HZ1 LYS 37 HZ1 LYS 37 2.705 -10.579 -2.703 320 HZ2 LYS 37 HZ2 LYS 37 3.777 -10.803 -3.891 321 HZ3 LYS 37 HZ3 LYS 37 2.219 -10.460 -4.300 322 H VAL 38 HN VAL 38 2.820 -3.161 -5.877 323 HA VAL 38 HA VAL 38 2.872 -3.928 -8.402 324 HB VAL 38 HB VAL 38 0.632 -3.577 -8.962 325 HG11 VAL 38 HG11 VAL 38 -0.696 -1.663 -8.733 326 HG12 VAL 38 HG12 VAL 38 0.073 -1.815 -7.162 327 HG13 VAL 38 HG13 VAL 38 0.679 -0.624 -8.328 328 HG21 VAL 38 HG21 VAL 38 2.337 -3.002 -10.627 329 HG22 VAL 38 HG22 VAL 38 0.790 -2.197 -10.881 330 HG23 VAL 38 HG23 VAL 38 2.158 -1.280 -10.205 331 H TRP 39 HN TRP 39 4.894 -3.403 -8.241 332 HA TRP 39 HA TRP 39 6.070 -1.084 -9.060 333 HB2 TRP 39 HB2 TRP 39 5.594 0.173 -7.105 334 HB3 TRP 39 HB3 TRP 39 5.995 -1.155 -6.056 335 HD1 TRP 39 HD1 TRP 39 8.603 -1.873 -5.981 336 HE1 TRP 39 HE1 TRP 39 10.696 -0.332 -5.859 337 HE3 TRP 39 HE3 TRP 39 6.658 2.324 -8.137 338 HZ2 TRP 39 HZ2 TRP 39 11.264 2.470 -6.256 339 HZ3 TRP 39 HZ3 TRP 39 8.022 4.389 -8.257 340 HH2 TRP 39 HH2 TRP 39 10.244 4.525 -7.253 341 H ASP 40 HN ASP 40 8.222 -1.656 -9.616 342 HA ASP 40 HA ASP 40 9.565 -3.717 -8.048 343 HB2 ASP 40 HB2 ASP 40 8.048 -4.885 -9.774 344 HB3 ASP 40 HB3 ASP 40 9.123 -4.223 -11.010 345 H ARG 41 HN ARG 41 10.306 -1.141 -8.131 346 HA ARG 41 HA ARG 41 12.679 -1.015 -9.974 347 HB2 ARG 41 HB2 ARG 41 10.825 0.410 -10.599 348 HB3 ARG 41 HB3 ARG 41 10.758 1.170 -9.018 349 HG2 ARG 41 HG2 ARG 41 13.259 1.416 -10.656 350 HG3 ARG 41 HG3 ARG 41 11.829 2.320 -11.078 351 HD2 ARG 41 HD2 ARG 41 12.157 2.819 -8.346 352 HD3 ARG 41 HD3 ARG 41 13.799 2.855 -9.000 353 HE ARG 41 HE ARG 41 12.273 4.355 -10.780 354 HH11 ARG 41 HH11 ARG 41 12.858 4.721 -7.180 355 HH12 ARG 41 HH12 ARG 41 12.567 6.404 -7.300 356 HH21 ARG 41 HH21 ARG 41 12.225 6.688 -10.726 357 HH22 ARG 41 HH22 ARG 41 12.269 7.510 -9.208 358 H LYS 42 HN LYS 42 14.555 0.175 -9.100 359 HA LYS 42 HA LYS 42 14.315 1.355 -6.484 360 HB2 LYS 42 HB2 LYS 42 16.093 0.316 -5.370 361 HB3 LYS 42 HB3 LYS 42 14.776 -0.793 -5.624 362 HG2 LYS 42 HG2 LYS 42 15.961 -2.178 -7.025 363 HG3 LYS 42 HG3 LYS 42 17.028 -0.872 -7.630 364 HD2 LYS 42 HD2 LYS 42 18.192 -0.715 -5.535 365 HD3 LYS 42 HD3 LYS 42 17.027 -1.804 -4.761 366 HE2 LYS 42 HE2 LYS 42 18.206 -3.604 -5.289 367 HE3 LYS 42 HE3 LYS 42 18.070 -3.186 -7.018 368 HZ1 LYS 42 HZ1 LYS 42 20.407 -3.403 -6.146 369 HZ2 LYS 42 HZ2 LYS 42 20.168 -2.108 -5.211 370 HZ3 LYS 42 HZ3 LYS 42 20.078 -1.932 -6.848 371 H ARG 43 HN ARG 43 16.330 2.565 -5.898 372 HA ARG 43 HA ARG 43 17.474 3.839 -8.245 373 HB2 ARG 43 HB2 ARG 43 16.478 4.656 -5.621 374 HB3 ARG 43 HB3 ARG 43 18.200 4.888 -5.566 375 HG2 ARG 43 HG2 ARG 43 17.776 6.849 -6.582 376 HG3 ARG 43 HG3 ARG 43 17.687 5.895 -8.030 377 HD2 ARG 43 HD2 ARG 43 15.485 6.336 -8.312 378 HD3 ARG 43 HD3 ARG 43 15.110 5.910 -6.653 379 HE ARG 43 HE ARG 43 15.258 8.509 -7.755 380 HH11 ARG 43 HH11 ARG 43 16.689 7.222 -4.729 381 HH12 ARG 43 HH12 ARG 43 15.508 7.983 -3.708 382 HH21 ARG 43 HH21 ARG 43 14.220 10.044 -6.294 383 HH22 ARG 43 HH22 ARG 43 14.554 9.955 -4.613 384 H LYS 44 HN LYS 44 19.878 4.719 -7.053 385 HA LYS 44 HA LYS 44 21.514 2.321 -6.940 386 HB2 LYS 44 HB2 LYS 44 22.240 5.177 -6.147 387 HB3 LYS 44 HB3 LYS 44 23.340 3.805 -6.322 388 HG2 LYS 44 HG2 LYS 44 22.570 3.600 -8.707 389 HG3 LYS 44 HG3 LYS 44 21.700 5.134 -8.526 390 HD2 LYS 44 HD2 LYS 44 23.781 6.313 -8.103 391 HD3 LYS 44 HD3 LYS 44 24.700 4.801 -8.069 392 HE2 LYS 44 HE2 LYS 44 23.113 5.685 -10.507 393 HE3 LYS 44 HE3 LYS 44 24.800 6.146 -10.238 394 HZ1 LYS 44 HZ1 LYS 44 25.422 3.867 -10.208 395 HZ2 LYS 44 HZ2 LYS 44 24.567 4.172 -11.595 396 HZ3 LYS 44 HZ3 LYS 44 23.874 3.339 -10.351 397 H ASP 45 HN ASP 45 19.971 4.500 -4.531 398 HA ASP 45 HA ASP 45 20.547 2.641 -2.299 399 HB2 ASP 45 HB2 ASP 45 22.502 4.195 -2.802 400 HB3 ASP 45 HB3 ASP 45 21.409 5.525 -2.502 401 H GLU 46 HN GLU 46 18.075 2.820 -3.277 402 HA GLU 46 HA GLU 46 16.558 3.579 -1.178 403 HB2 GLU 46 HB2 GLU 46 16.956 5.995 -2.631 404 HB3 GLU 46 HB3 GLU 46 15.416 5.395 -3.185 405 HG2 GLU 46 HG2 GLU 46 14.653 5.188 -0.809 406 HG3 GLU 46 HG3 GLU 46 16.203 5.867 -0.280 407 H ALA 47 HN ALA 47 14.141 3.195 -1.741 408 HA ALA 47 HA ALA 47 13.410 2.212 -4.385 409 HB1 ALA 47 HB1 ALA 47 14.568 0.267 -3.381 410 HB2 ALA 47 HB2 ALA 47 13.653 0.459 -1.896 411 HB3 ALA 47 HB3 ALA 47 12.810 -0.038 -3.397 412 H VAL 48 HN VAL 48 10.893 1.818 -4.334 413 HA VAL 48 HA VAL 48 9.636 2.697 -1.874 414 HB VAL 48 HB VAL 48 8.837 4.083 -4.447 415 HG11 VAL 48 HG11 VAL 48 8.393 5.244 -1.714 416 HG12 VAL 48 HG12 VAL 48 7.394 5.366 -3.174 417 HG13 VAL 48 HG13 VAL 48 7.382 3.898 -2.213 418 HG21 VAL 48 HG21 VAL 48 11.066 4.888 -4.136 419 HG22 VAL 48 HG22 VAL 48 9.920 6.159 -3.739 420 HG23 VAL 48 HG23 VAL 48 10.736 5.289 -2.431 421 H LYS 49 HN LYS 49 8.735 0.670 -1.629 422 HA LYS 49 HA LYS 49 7.425 -0.659 -3.943 423 HB2 LYS 49 HB2 LYS 49 8.250 -1.582 -1.193 424 HB3 LYS 49 HB3 LYS 49 6.907 -2.396 -2.011 425 HG2 LYS 49 HG2 LYS 49 8.204 -3.079 -3.848 426 HG3 LYS 49 HG3 LYS 49 9.480 -1.935 -3.541 427 HD2 LYS 49 HD2 LYS 49 10.512 -3.803 -2.845 428 HD3 LYS 49 HD3 LYS 49 9.822 -3.288 -1.289 429 HE2 LYS 49 HE2 LYS 49 8.054 -4.954 -1.465 430 HE3 LYS 49 HE3 LYS 49 8.417 -5.240 -3.170 431 HZ1 LYS 49 HZ1 LYS 49 10.545 -6.182 -2.501 432 HZ2 LYS 49 HZ2 LYS 49 9.272 -7.023 -1.880 433 HZ3 LYS 49 HZ3 LYS 49 10.124 -6.030 -0.910 434 H GLN 50 HN GLN 50 5.574 0.246 -4.401 435 HA GLN 50 HA GLN 50 3.842 1.292 -2.236 436 HB2 GLN 50 HB2 GLN 50 4.170 1.889 -5.198 437 HB3 GLN 50 HB3 GLN 50 2.844 2.545 -4.238 438 HG2 GLN 50 HG2 GLN 50 4.204 3.867 -2.933 439 HG3 GLN 50 HG3 GLN 50 5.655 2.894 -3.144 440 HE21 GLN 50 HE21 GLN 50 6.809 3.166 -5.290 441 HE22 GLN 50 HE22 GLN 50 6.475 4.587 -6.269 442 H TYR 51 HN TYR 51 1.432 1.178 -2.933 443 HA TYR 51 HA TYR 51 0.740 -1.570 -3.783 444 HB2 TYR 51 HB2 TYR 51 0.084 -0.276 -1.086 445 HB3 TYR 51 HB3 TYR 51 -0.537 -1.818 -1.665 446 HD1 TYR 51 HD1 TYR 51 0.847 -3.823 -1.736 447 HD2 TYR 51 HD2 TYR 51 2.483 -0.067 -0.366 448 HE1 TYR 51 HE1 TYR 51 2.961 -4.969 -1.017 449 HE2 TYR 51 HE2 TYR 51 4.581 -1.234 0.288 450 HH TYR 51 HH TYR 51 5.767 -3.089 0.018 451 H HIS 52 HN HIS 52 -1.690 -1.733 -3.899 452 HA HIS 52 HA HIS 52 -3.035 0.840 -4.471 453 HB2 HIS 52 HB2 HIS 52 -1.957 -0.230 -6.559 454 HB3 HIS 52 HB3 HIS 52 -3.098 -1.568 -6.351 455 HD1 HIS 52 HD1 HIS 52 -3.530 2.390 -6.457 456 HD2 HIS 52 HD2 HIS 52 -5.063 -1.246 -8.017 457 HE1 HIS 52 HE1 HIS 52 -5.347 3.021 -8.083 458 H LEU 53 HN LEU 53 -4.473 0.692 -2.737 459 HA LEU 53 HA LEU 53 -5.924 -1.837 -2.372 460 HB2 LEU 53 HB2 LEU 53 -5.696 0.316 -0.292 461 HB3 LEU 53 HB3 LEU 53 -6.124 -1.372 -0.156 462 HG LEU 53 HG LEU 53 -4.170 -1.128 0.947 463 HD11 LEU 53 HD11 LEU 53 -4.352 -2.999 -0.821 464 HD12 LEU 53 HD12 LEU 53 -2.836 -2.820 0.094 465 HD13 LEU 53 HD13 LEU 53 -2.974 -2.229 -1.584 466 HD21 LEU 53 HD21 LEU 53 -3.413 1.026 -0.015 467 HD22 LEU 53 HD22 LEU 53 -2.608 0.118 -1.302 468 HD23 LEU 53 HD23 LEU 53 -2.152 -0.148 0.406 469 H THR 54 HN THR 54 -7.742 -1.545 -3.466 470 HA THR 54 HA THR 54 -9.195 0.769 -4.094 471 HB THR 54 HB THR 54 -10.019 -2.058 -3.378 472 HG1 THR 54 HG1 THR 54 -9.503 -0.901 -5.905 473 HG21 THR 54 HG21 THR 54 -11.995 -0.327 -3.622 474 HG22 THR 54 HG22 THR 54 -12.081 -1.931 -4.385 475 HG23 THR 54 HG23 THR 54 -11.668 -0.523 -5.350 476 H LEU 55 HN LEU 55 -10.170 2.183 -2.736 477 HA LEU 55 HA LEU 55 -11.345 1.097 -0.259 478 HB2 LEU 55 HB2 LEU 55 -10.349 3.915 -0.761 479 HB3 LEU 55 HB3 LEU 55 -11.562 3.555 0.456 480 HG LEU 55 HG LEU 55 -9.493 1.610 0.842 481 HD11 LEU 55 HD11 LEU 55 -7.551 3.074 1.290 482 HD12 LEU 55 HD12 LEU 55 -8.422 4.436 0.536 483 HD13 LEU 55 HD13 LEU 55 -8.033 2.995 -0.425 484 HD21 LEU 55 HD21 LEU 55 -11.037 2.964 2.553 485 HD22 LEU 55 HD22 LEU 55 -9.596 3.964 2.675 486 HD23 LEU 55 HD23 LEU 55 -9.490 2.233 3.022 487 H ARG 56 HN ARG 56 -13.387 1.908 0.267 488 HA ARG 56 HA ARG 56 -15.018 2.915 -1.979 489 HB2 ARG 56 HB2 ARG 56 -15.198 0.458 -1.976 490 HB3 ARG 56 HB3 ARG 56 -15.774 0.523 -0.284 491 HG2 ARG 56 HG2 ARG 56 -17.690 1.980 -1.130 492 HG3 ARG 56 HG3 ARG 56 -17.115 1.632 -2.759 493 HD2 ARG 56 HD2 ARG 56 -17.215 -0.873 -1.987 494 HD3 ARG 56 HD3 ARG 56 -18.277 -0.258 -0.708 495 HE ARG 56 HE ARG 56 -19.069 0.680 -3.338 496 HH11 ARG 56 HH11 ARG 56 -18.837 -2.381 -1.610 497 HH12 ARG 56 HH12 ARG 56 -19.996 -3.150 -2.598 498 HH21 ARG 56 HH21 ARG 56 -20.832 -0.341 -4.483 499 HH22 ARG 56 HH22 ARG 56 -21.296 -1.957 -4.074 500 H GLU 57 HN GLU 57 -16.445 4.459 -1.197 501 HA GLU 57 HA GLU 57 -16.914 4.683 1.723 502 HB2 GLU 57 HB2 GLU 57 -15.273 6.411 1.130 503 HB3 GLU 57 HB3 GLU 57 -16.338 7.020 -0.147 504 HG2 GLU 57 HG2 GLU 57 -18.044 7.623 1.429 505 HG3 GLU 57 HG3 GLU 57 -17.158 6.839 2.717 506 H GLY 58 HN GLY 58 -18.941 3.991 1.809 507 HA2 GLY 58 HA1 GLY 58 -21.112 3.524 1.292 508 HA3 GLY 58 HA2 GLY 58 -21.192 5.146 0.593 509 H SER 59 HN SER 59 -21.249 5.353 -1.554 510 HA SER 59 HA SER 59 -21.393 2.914 -3.241 511 HB2 SER 59 HB2 SER 59 -22.483 5.662 -3.892 512 HB3 SER 59 HB3 SER 59 -22.959 4.102 -4.563 513 HG SER 59 HG SER 59 -23.899 3.577 -2.543 514 H LYS 60 HN LYS 60 -19.088 5.346 -2.628 515 HA LYS 60 HA LYS 60 -18.310 5.600 -5.494 516 HB2 LYS 60 HB2 LYS 60 -18.474 7.669 -4.257 517 HB3 LYS 60 HB3 LYS 60 -17.366 7.105 -3.008 518 HG2 LYS 60 HG2 LYS 60 -15.580 7.458 -4.353 519 HG3 LYS 60 HG3 LYS 60 -16.419 7.111 -5.867 520 HD2 LYS 60 HD2 LYS 60 -15.885 9.429 -5.927 521 HD3 LYS 60 HD3 LYS 60 -17.615 9.318 -5.623 522 HE2 LYS 60 HE2 LYS 60 -17.297 9.796 -3.250 523 HE3 LYS 60 HE3 LYS 60 -15.541 9.726 -3.430 524 HZ1 LYS 60 HZ1 LYS 60 -16.478 11.990 -3.360 525 HZ2 LYS 60 HZ2 LYS 60 -17.196 11.767 -4.807 526 HZ3 LYS 60 HZ3 LYS 60 -15.549 11.710 -4.665 527 H GLU 61 HN GLU 61 -16.324 4.908 -6.134 528 HA GLU 61 HA GLU 61 -14.620 3.303 -4.302 529 HB2 GLU 61 HB2 GLU 61 -15.421 2.690 -7.161 530 HB3 GLU 61 HB3 GLU 61 -13.872 2.176 -6.568 531 HG2 GLU 61 HG2 GLU 61 -14.786 0.747 -4.920 532 HG3 GLU 61 HG3 GLU 61 -16.343 1.532 -5.002 533 H PHE 62 HN PHE 62 -12.502 3.916 -4.439 534 HA PHE 62 HA PHE 62 -11.485 5.713 -6.474 535 HB2 PHE 62 HB2 PHE 62 -10.726 7.423 -4.880 536 HB3 PHE 62 HB3 PHE 62 -12.457 7.386 -5.090 537 HD1 PHE 62 HD1 PHE 62 -13.760 5.848 -3.239 538 HD2 PHE 62 HD2 PHE 62 -9.897 7.745 -2.635 539 HE1 PHE 62 HE1 PHE 62 -14.187 5.997 -0.820 540 HE2 PHE 62 HE2 PHE 62 -10.397 7.943 -0.250 541 HZ PHE 62 HZ PHE 62 -12.549 7.091 0.668 542 H GLY 63 HN GLY 63 -9.436 5.011 -6.856 543 HA2 GLY 63 HA1 GLY 63 -8.295 3.116 -4.904 544 HA3 GLY 63 HA2 GLY 63 -7.985 3.127 -6.650 545 H VAL 64 HN VAL 64 -7.348 4.336 -3.557 546 HA VAL 64 HA VAL 64 -5.397 6.374 -4.109 547 HB VAL 64 HB VAL 64 -5.128 6.398 -1.720 548 HG11 VAL 64 HG11 VAL 64 -7.354 7.225 -2.584 549 HG12 VAL 64 HG12 VAL 64 -8.050 5.660 -2.126 550 HG13 VAL 64 HG13 VAL 64 -7.357 6.710 -0.886 551 HG21 VAL 64 HG21 VAL 64 -4.777 4.071 -1.194 552 HG22 VAL 64 HG22 VAL 64 -6.105 4.690 -0.223 553 HG23 VAL 64 HG23 VAL 64 -6.437 3.681 -1.664 554 H PHE 65 HN PHE 65 -3.220 6.108 -2.782 555 HA PHE 65 HA PHE 65 -1.931 3.481 -3.234 556 HB2 PHE 65 HB2 PHE 65 -0.749 6.099 -4.215 557 HB3 PHE 65 HB3 PHE 65 0.067 4.556 -4.218 558 HD1 PHE 65 HD1 PHE 65 -2.698 6.500 -5.762 559 HD2 PHE 65 HD2 PHE 65 -0.346 2.904 -5.913 560 HE1 PHE 65 HE1 PHE 65 -3.532 6.065 -8.050 561 HE2 PHE 65 HE2 PHE 65 -1.165 2.482 -8.252 562 HZ PHE 65 HZ PHE 65 -2.743 4.075 -9.310 563 H VAL 66 HN VAL 66 0.403 3.610 -2.249 564 HA VAL 66 HA VAL 66 0.409 5.119 0.307 565 HB VAL 66 HB VAL 66 0.801 2.094 0.088 566 HG11 VAL 66 HG11 VAL 66 0.925 4.072 2.399 567 HG12 VAL 66 HG12 VAL 66 0.623 2.342 2.660 568 HG13 VAL 66 HG13 VAL 66 2.112 2.876 1.890 569 HG21 VAL 66 HG21 VAL 66 -1.262 1.861 1.402 570 HG22 VAL 66 HG22 VAL 66 -1.577 3.595 1.255 571 HG23 VAL 66 HG23 VAL 66 -1.580 2.566 -0.183 572 H THR 67 HN THR 67 2.306 6.254 0.167 573 HA THR 67 HA THR 67 4.554 5.318 -1.446 574 HB THR 67 HB THR 67 4.127 7.866 0.166 575 HG1 THR 67 HG1 THR 67 3.632 8.765 -1.840 576 HG21 THR 67 HG21 THR 67 5.942 8.774 -1.234 577 HG22 THR 67 HG22 THR 67 6.116 7.212 -2.062 578 HG23 THR 67 HG23 THR 67 6.528 7.379 -0.341 579 H ILE 68 HN ILE 68 5.398 3.512 -0.261 580 HA ILE 68 HA ILE 68 6.605 4.135 2.421 581 HB ILE 68 HB ILE 68 6.191 1.552 0.898 582 HG12 ILE 68 HG12 ILE 68 5.049 2.588 3.557 583 HG13 ILE 68 HG13 ILE 68 4.200 2.520 2.018 584 HG21 ILE 68 HG21 ILE 68 7.166 0.464 3.008 585 HG22 ILE 68 HG22 ILE 68 8.336 1.372 2.083 586 HG23 ILE 68 HG23 ILE 68 7.659 2.099 3.545 587 HD11 ILE 68 HD11 ILE 68 3.422 0.668 3.253 588 HD12 ILE 68 HD12 ILE 68 4.500 0.015 2.021 589 HD13 ILE 68 HD13 ILE 68 5.047 0.147 3.700 590 H SER 69 HN SER 69 8.369 5.352 1.870 591 HA SER 69 HA SER 69 10.228 4.545 -0.304 592 HB2 SER 69 HB2 SER 69 10.200 6.826 1.726 593 HB3 SER 69 HB3 SER 69 11.580 6.441 0.654 594 HG SER 69 HG SER 69 10.548 7.805 -0.503 595 H PHE 70 HN PHE 70 11.930 3.171 0.134 596 HA PHE 70 HA PHE 70 12.921 2.919 2.879 597 HB2 PHE 70 HB2 PHE 70 12.493 0.624 3.108 598 HB3 PHE 70 HB3 PHE 70 10.972 1.282 2.557 599 HD1 PHE 70 HD2 PHE 70 10.413 1.012 0.001 600 HD2 PHE 70 HD1 PHE 70 13.634 -1.056 1.947 601 HE1 PHE 70 HE2 PHE 70 10.546 -0.621 -1.893 602 HE2 PHE 70 HE1 PHE 70 13.699 -2.736 0.126 603 HZ PHE 70 HZ PHE 70 12.155 -2.493 -1.819 604 H ASP 71 HN ASP 71 14.771 1.279 2.832 605 HA ASP 71 HA ASP 71 16.383 1.827 0.336 606 HB2 ASP 71 HB2 ASP 71 17.019 2.004 3.166 607 HB3 ASP 71 HB3 ASP 71 18.148 0.960 2.312 608 HA PRO 72 HA PRO 72 16.666 -2.561 -0.529 609 HB2 PRO 72 HB2 PRO 72 18.999 -2.587 -2.051 610 HB3 PRO 72 HB3 PRO 72 17.404 -2.095 -2.645 611 HG2 PRO 72 HG2 PRO 72 19.646 -0.339 -1.654 612 HG3 PRO 72 HG3 PRO 72 18.643 -0.149 -3.143 613 HD2 PRO 72 HD2 PRO 72 18.090 1.243 -0.952 614 HD3 PRO 72 HD3 PRO 72 16.767 0.547 -1.904 615 H TYR 73 HN TYR 73 19.046 -0.842 1.229 616 HA TYR 73 HA TYR 73 21.081 -2.771 1.551 617 HB2 TYR 73 HB2 TYR 73 20.142 -0.555 3.369 618 HB3 TYR 73 HB3 TYR 73 21.476 -1.595 3.832 619 HD1 TYR 73 HD1 TYR 73 20.353 0.648 1.002 620 HD2 TYR 73 HD2 TYR 73 23.679 -1.014 3.250 621 HE1 TYR 73 HE1 TYR 73 21.902 1.945 -0.318 622 HE2 TYR 73 HE2 TYR 73 25.230 0.390 1.960 623 HH TYR 73 HH TYR 73 24.075 2.840 -0.281 624 H SER 74 HN SER 74 18.242 -2.249 3.618 625 HA SER 74 HA SER 74 18.426 -4.897 4.927 626 HB2 SER 74 HB2 SER 74 19.314 -2.217 6.004 627 HB3 SER 74 HB3 SER 74 18.645 -3.415 7.117 628 HG SER 74 HG SER 74 20.679 -4.082 5.243 629 H GLN 75 HN GLN 75 16.481 -2.641 3.558 630 HA GLN 75 HA GLN 75 14.362 -1.997 3.718 631 HB2 GLN 75 HB2 GLN 75 14.106 -4.699 5.068 632 HB3 GLN 75 HB3 GLN 75 12.792 -3.558 5.182 633 HG2 GLN 75 HG2 GLN 75 12.099 -4.542 3.301 634 HG3 GLN 75 HG3 GLN 75 13.130 -3.357 2.532 635 HE21 GLN 75 HE21 GLN 75 15.726 -4.576 2.801 636 HE22 GLN 75 HE22 GLN 75 15.628 -6.053 1.879 637 H LYS 76 HN LYS 76 15.738 -0.319 4.777 638 HA LYS 76 HA LYS 76 14.631 0.381 7.433 639 HB2 LYS 76 HB2 LYS 76 16.948 1.360 5.706 640 HB3 LYS 76 HB3 LYS 76 16.199 2.418 6.859 641 HG2 LYS 76 HG2 LYS 76 18.227 1.222 7.699 642 HG3 LYS 76 HG3 LYS 76 16.768 1.139 8.688 643 HD2 LYS 76 HD2 LYS 76 16.388 -1.145 8.232 644 HD3 LYS 76 HD3 LYS 76 17.549 -1.139 6.899 645 HE2 LYS 76 HE2 LYS 76 18.426 -2.223 9.011 646 HE3 LYS 76 HE3 LYS 76 19.402 -0.911 8.349 647 HZ1 LYS 76 HZ1 LYS 76 17.688 -0.756 10.748 648 HZ2 LYS 76 HZ2 LYS 76 18.358 0.562 10.006 649 HZ3 LYS 76 HZ3 LYS 76 19.338 -0.591 10.591 650 H VAL 77 HN VAL 77 12.842 1.545 7.257 651 HA VAL 77 HA VAL 77 11.949 2.688 4.713 652 HB VAL 77 HB VAL 77 10.266 1.641 5.773 653 HG11 VAL 77 HG11 VAL 77 11.065 2.939 8.383 654 HG12 VAL 77 HG12 VAL 77 9.567 1.986 8.127 655 HG13 VAL 77 HG13 VAL 77 11.139 1.217 7.928 656 HG21 VAL 77 HG21 VAL 77 8.600 3.301 6.355 657 HG22 VAL 77 HG22 VAL 77 9.854 4.534 6.609 658 HG23 VAL 77 HG23 VAL 77 9.560 3.864 4.988 659 H ASN 78 HN ASN 78 12.156 4.661 4.155 660 HA ASN 78 HA ASN 78 13.935 6.445 5.716 661 HB2 ASN 78 HB2 ASN 78 13.183 6.283 2.756 662 HB3 ASN 78 HB3 ASN 78 14.114 7.614 3.456 663 HD21 ASN 78 HD21 ASN 78 14.729 4.804 1.729 664 HD22 ASN 78 HD22 ASN 78 16.255 4.432 2.523 665 H LYS 79 HN LYS 79 10.792 6.438 3.913 666 HA LYS 79 HA LYS 79 9.672 8.067 5.994 667 HB2 LYS 79 HB2 LYS 79 10.166 9.276 3.284 668 HB3 LYS 79 HB3 LYS 79 8.528 9.432 3.896 669 HG2 LYS 79 HG2 LYS 79 9.517 10.364 6.078 670 HG3 LYS 79 HG3 LYS 79 11.063 10.420 5.221 671 HD2 LYS 79 HD2 LYS 79 10.393 12.527 4.783 672 HD3 LYS 79 HD3 LYS 79 9.622 11.777 3.405 673 HE2 LYS 79 HE2 LYS 79 8.293 12.486 6.074 674 HE3 LYS 79 HE3 LYS 79 8.206 13.439 4.590 675 HZ1 LYS 79 HZ1 LYS 79 6.265 12.280 4.661 676 HZ2 LYS 79 HZ2 LYS 79 6.908 10.846 5.119 677 HZ3 LYS 79 HZ3 LYS 79 7.128 11.437 3.579 678 H ILE 80 HN ILE 80 7.347 8.053 5.877 679 HA ILE 80 HA ILE 80 6.214 6.365 3.749 680 HB ILE 80 HB ILE 80 5.046 6.644 6.545 681 HG12 ILE 80 HG12 ILE 80 6.546 4.289 5.302 682 HG13 ILE 80 HG13 ILE 80 7.114 5.296 6.639 683 HG21 ILE 80 HG21 ILE 80 3.478 4.876 5.779 684 HG22 ILE 80 HG22 ILE 80 3.362 6.281 4.754 685 HG23 ILE 80 HG23 ILE 80 4.265 4.863 4.178 686 HD11 ILE 80 HD11 ILE 80 6.344 3.304 7.607 687 HD12 ILE 80 HD12 ILE 80 5.133 4.544 7.995 688 HD13 ILE 80 HD13 ILE 80 4.824 3.346 6.706 689 H ALA 81 HN ALA 81 4.414 7.309 2.786 690 HA ALA 81 HA ALA 81 3.030 9.404 4.148 691 HB1 ALA 81 HB1 ALA 81 4.569 10.759 2.706 692 HB2 ALA 81 HB2 ALA 81 3.925 9.925 1.276 693 HB3 ALA 81 HB3 ALA 81 2.866 10.944 2.276 694 H ILE 82 HN ILE 82 0.910 9.766 2.847 695 HA ILE 82 HA ILE 82 -0.014 7.240 1.612 696 HB ILE 82 HB ILE 82 -1.146 8.900 3.854 697 HG12 ILE 82 HG12 ILE 82 0.252 6.782 4.192 698 HG13 ILE 82 HG13 ILE 82 -1.276 6.872 5.043 699 HG21 ILE 82 HG21 ILE 82 -2.790 7.330 1.895 700 HG22 ILE 82 HG22 ILE 82 -3.340 7.626 3.548 701 HG23 ILE 82 HG23 ILE 82 -3.028 8.985 2.455 702 HD11 ILE 82 HD11 ILE 82 -1.078 5.469 2.376 703 HD12 ILE 82 HD12 ILE 82 -0.710 4.647 3.900 704 HD13 ILE 82 HD13 ILE 82 -2.334 5.289 3.629 705 H LEU 83 HN LEU 83 -1.211 7.538 -0.266 706 HA LEU 83 HA LEU 83 -1.362 10.289 -1.358 707 HB2 LEU 83 HB2 LEU 83 0.116 8.184 -2.342 708 HB3 LEU 83 HB3 LEU 83 -1.476 7.727 -2.930 709 HG LEU 83 HG LEU 83 -1.475 10.334 -3.708 710 HD11 LEU 83 HD11 LEU 83 0.803 10.743 -2.801 711 HD12 LEU 83 HD12 LEU 83 0.764 10.925 -4.564 712 HD13 LEU 83 HD13 LEU 83 1.451 9.448 -3.822 713 HD21 LEU 83 HD21 LEU 83 -1.949 8.508 -5.179 714 HD22 LEU 83 HD22 LEU 83 -0.237 8.004 -5.209 715 HD23 LEU 83 HD23 LEU 83 -0.751 9.540 -5.940 716 H GLU 84 HN GLU 84 -3.297 10.436 -2.911 717 HA GLU 84 HA GLU 84 -5.387 8.449 -2.492 718 HB2 GLU 84 HB2 GLU 84 -5.639 11.421 -1.913 719 HB3 GLU 84 HB3 GLU 84 -7.004 10.448 -2.456 720 HG2 GLU 84 HG2 GLU 84 -7.436 10.033 -0.378 721 HG3 GLU 84 HG3 GLU 84 -6.231 8.811 -0.515 722 H GLU 85 HN GLU 85 -6.910 8.490 -4.202 723 HA GLU 85 HA GLU 85 -5.989 9.992 -6.618 724 HB2 GLU 85 HB2 GLU 85 -6.090 7.533 -6.781 725 HB3 GLU 85 HB3 GLU 85 -7.792 7.556 -6.305 726 HG2 GLU 85 HG2 GLU 85 -7.482 7.291 -8.740 727 HG3 GLU 85 HG3 GLU 85 -8.398 8.744 -8.338 728 H TYR 86 HN TYR 86 -7.567 11.203 -7.873 729 HA TYR 86 HA TYR 86 -10.231 11.676 -6.754 730 HB2 TYR 86 HB2 TYR 86 -9.908 14.089 -6.752 731 HB3 TYR 86 HB3 TYR 86 -9.061 13.268 -5.462 732 HD1 TYR 86 HD1 TYR 86 -8.660 15.096 -8.660 733 HD2 TYR 86 HD2 TYR 86 -6.649 13.414 -5.245 734 HE1 TYR 86 HE1 TYR 86 -6.576 16.262 -9.333 735 HE2 TYR 86 HE2 TYR 86 -4.559 14.585 -5.895 736 HH TYR 86 HH TYR 86 -4.134 15.875 -9.008 737 H GLN 87 HN GLN 87 -11.702 12.263 -8.384 738 HA GLN 87 HA GLN 87 -11.054 13.576 -10.712 739 HB2 GLN 87 HB2 GLN 87 -11.803 11.657 -12.324 740 HB3 GLN 87 HB3 GLN 87 -10.132 11.936 -11.883 741 HG2 GLN 87 HG2 GLN 87 -10.458 9.629 -11.888 742 HG3 GLN 87 HG3 GLN 87 -10.220 10.124 -10.219 743 HE21 GLN 87 HE21 GLN 87 -11.832 9.509 -8.716 744 HE22 GLN 87 HE22 GLN 87 -13.365 8.798 -9.144 Start of MODEL 20 1 H1 GLY 1 HN GLY 1 -14.916 -14.714 6.285 2 HA2 GLY 1 HA1 GLY 1 -14.773 -17.202 5.842 3 HA3 GLY 1 HA2 GLY 1 -15.536 -16.816 4.292 4 H GLU 2 HN GLU 2 -14.151 -14.472 3.493 5 HA GLU 2 HA GLU 2 -11.310 -14.862 3.831 6 HB2 GLU 2 HB2 GLU 2 -10.771 -15.217 1.533 7 HB3 GLU 2 HB3 GLU 2 -12.005 -16.425 1.914 8 HG2 GLU 2 HG2 GLU 2 -13.713 -14.701 0.983 9 HG3 GLU 2 HG3 GLU 2 -12.321 -13.819 0.343 10 H GLU 3 HN GLU 3 -10.218 -12.947 3.227 11 HA GLU 3 HA GLU 3 -11.940 -10.569 2.776 12 HB2 GLU 3 HB2 GLU 3 -10.397 -9.357 4.091 13 HB3 GLU 3 HB3 GLU 3 -10.965 -10.750 4.982 14 HG2 GLU 3 HG2 GLU 3 -8.341 -10.885 3.448 15 HG3 GLU 3 HG3 GLU 3 -8.409 -10.140 5.034 16 H THR 4 HN THR 4 -9.574 -12.452 1.110 17 HA THR 4 HA THR 4 -9.481 -10.338 -0.872 18 HB THR 4 HB THR 4 -7.083 -10.911 -1.431 19 HG1 THR 4 HG1 THR 4 -6.974 -11.767 1.278 20 HG21 THR 4 HG21 THR 4 -7.793 -8.756 -0.393 21 HG22 THR 4 HG22 THR 4 -6.135 -9.247 -0.008 22 HG23 THR 4 HG23 THR 4 -7.418 -9.445 1.205 23 HA PRO 5 HA PRO 5 -10.581 -13.774 -3.357 24 HB2 PRO 5 HB2 PRO 5 -9.727 -13.042 -5.881 25 HB3 PRO 5 HB3 PRO 5 -11.074 -12.239 -5.019 26 HG2 PRO 5 HG2 PRO 5 -8.163 -11.391 -5.166 27 HG3 PRO 5 HG3 PRO 5 -9.621 -10.393 -5.485 28 HD2 PRO 5 HD2 PRO 5 -8.388 -10.334 -3.083 29 HD3 PRO 5 HD3 PRO 5 -10.170 -10.303 -3.188 30 H LEU 6 HN LEU 6 -7.455 -13.396 -2.437 31 HA LEU 6 HA LEU 6 -6.163 -15.397 -4.228 32 HB2 LEU 6 HB2 LEU 6 -4.997 -13.631 -2.069 33 HB3 LEU 6 HB3 LEU 6 -4.081 -14.640 -3.176 34 HG LEU 6 HG LEU 6 -5.816 -12.313 -4.145 35 HD11 LEU 6 HD11 LEU 6 -4.116 -11.421 -2.666 36 HD12 LEU 6 HD12 LEU 6 -3.745 -11.029 -4.339 37 HD13 LEU 6 HD13 LEU 6 -2.843 -12.337 -3.517 38 HD21 LEU 6 HD21 LEU 6 -4.507 -12.502 -6.192 39 HD22 LEU 6 HD22 LEU 6 -5.230 -14.073 -5.827 40 HD23 LEU 6 HD23 LEU 6 -3.518 -13.802 -5.489 41 H VAL 7 HN VAL 7 -8.044 -16.626 -2.976 42 HA VAL 7 HA VAL 7 -7.736 -17.211 -0.279 43 HB VAL 7 HB VAL 7 -9.705 -17.464 -1.787 44 HG11 VAL 7 HG11 VAL 7 -10.155 -19.614 -2.875 45 HG12 VAL 7 HG12 VAL 7 -8.801 -18.768 -3.613 46 HG13 VAL 7 HG13 VAL 7 -8.498 -20.153 -2.534 47 HG21 VAL 7 HG21 VAL 7 -10.757 -19.179 -0.501 48 HG22 VAL 7 HG22 VAL 7 -9.188 -19.870 -0.006 49 HG23 VAL 7 HG23 VAL 7 -9.684 -18.249 0.544 50 H THR 8 HN THR 8 -5.626 -18.194 -2.702 51 HA THR 8 HA THR 8 -4.245 -19.882 -0.784 52 HB THR 8 HB THR 8 -4.841 -21.058 -3.533 53 HG1 THR 8 HG1 THR 8 -5.571 -21.825 -0.897 54 HG21 THR 8 HG21 THR 8 -3.155 -22.126 -1.217 55 HG22 THR 8 HG22 THR 8 -2.521 -21.532 -2.764 56 HG23 THR 8 HG23 THR 8 -3.524 -22.991 -2.726 57 H ALA 9 HN ALA 9 -3.032 -18.002 -0.709 58 HA ALA 9 HA ALA 9 -0.600 -18.745 -1.825 59 HB1 ALA 9 HB1 ALA 9 0.063 -16.571 -2.899 60 HB2 ALA 9 HB2 ALA 9 -1.070 -17.572 -3.835 61 HB3 ALA 9 HB3 ALA 9 -1.664 -16.134 -2.939 62 H ARG 10 HN ARG 10 -0.560 -18.926 0.519 63 HA ARG 10 HA ARG 10 -0.599 -16.501 2.154 64 HB2 ARG 10 HB2 ARG 10 0.167 -19.392 2.758 65 HB3 ARG 10 HB3 ARG 10 0.187 -18.069 3.909 66 HG2 ARG 10 HG2 ARG 10 -2.309 -17.713 3.363 67 HG3 ARG 10 HG3 ARG 10 -2.228 -19.277 2.534 68 HD2 ARG 10 HD2 ARG 10 -2.985 -19.676 4.785 69 HD3 ARG 10 HD3 ARG 10 -1.317 -20.279 4.669 70 HE ARG 10 HE ARG 10 -1.854 -17.531 5.651 71 HH11 ARG 10 HH11 ARG 10 -0.908 -20.832 6.682 72 HH12 ARG 10 HH12 ARG 10 -0.435 -20.247 8.258 73 HH21 ARG 10 HH21 ARG 10 -0.935 -16.862 7.521 74 HH22 ARG 10 HH22 ARG 10 -0.570 -17.999 8.801 75 H HIS 11 HN HIS 11 0.998 -15.312 0.828 76 HA HIS 11 HA HIS 11 3.644 -15.669 1.936 77 HB2 HIS 11 HB2 HIS 11 3.730 -17.151 -0.097 78 HB3 HIS 11 HB3 HIS 11 3.315 -15.771 -1.096 79 HD1 HIS 11 HD1 HIS 11 5.708 -16.182 -2.346 80 HD2 HIS 11 HD2 HIS 11 5.835 -15.026 1.715 81 HE1 HIS 11 HE1 HIS 11 8.067 -15.320 -1.906 82 H MET 12 HN MET 12 3.729 -13.630 2.758 83 HA MET 12 HA MET 12 3.079 -11.325 1.038 84 HB2 MET 12 HB2 MET 12 1.872 -12.376 3.568 85 HB3 MET 12 HB3 MET 12 2.153 -10.652 3.530 86 HG2 MET 12 HG2 MET 12 0.730 -12.155 1.313 87 HG3 MET 12 HG3 MET 12 -0.098 -11.412 2.675 88 HE1 MET 12 HE1 MET 12 -0.782 -7.991 1.729 89 HE2 MET 12 HE2 MET 12 -1.627 -9.500 1.259 90 HE3 MET 12 HE3 MET 12 -0.857 -9.362 2.851 91 H SER 13 HN SER 13 4.012 -9.438 1.533 92 HA SER 13 HA SER 13 6.813 -9.769 2.049 93 HB2 SER 13 HB2 SER 13 5.593 -8.495 0.160 94 HB3 SER 13 HB3 SER 13 5.280 -7.229 1.349 95 HG SER 13 HG SER 13 7.800 -8.208 0.467 96 H LYS 14 HN LYS 14 8.110 -8.159 3.137 97 HA LYS 14 HA LYS 14 7.621 -7.418 5.809 98 HB2 LYS 14 HB2 LYS 14 9.853 -7.366 4.781 99 HB3 LYS 14 HB3 LYS 14 9.338 -6.128 3.643 100 HG2 LYS 14 HG2 LYS 14 10.671 -5.049 5.248 101 HG3 LYS 14 HG3 LYS 14 9.038 -4.524 5.545 102 HD2 LYS 14 HD2 LYS 14 9.373 -6.776 7.261 103 HD3 LYS 14 HD3 LYS 14 10.937 -5.966 7.265 104 HE2 LYS 14 HE2 LYS 14 9.887 -4.827 8.983 105 HE3 LYS 14 HE3 LYS 14 9.532 -3.765 7.634 106 HZ1 LYS 14 HZ1 LYS 14 7.579 -4.227 8.980 107 HZ2 LYS 14 HZ2 LYS 14 7.759 -5.839 8.794 108 HZ3 LYS 14 HZ3 LYS 14 7.335 -4.925 7.502 109 H TRP 15 HN TRP 15 6.834 -5.640 2.826 110 HA TRP 15 HA TRP 15 6.035 -3.282 4.389 111 HB2 TRP 15 HB2 TRP 15 6.347 -3.659 1.408 112 HB3 TRP 15 HB3 TRP 15 6.096 -2.129 2.248 113 HD1 TRP 15 HD1 TRP 15 8.760 -4.065 0.841 114 HE1 TRP 15 HE1 TRP 15 11.074 -3.367 1.711 115 HE3 TRP 15 HE3 TRP 15 7.309 -1.201 4.859 116 HZ2 TRP 15 HZ2 TRP 15 12.135 -2.007 4.083 117 HZ3 TRP 15 HZ3 TRP 15 8.969 -0.301 6.401 118 HH2 TRP 15 HH2 TRP 15 11.390 -0.750 6.073 119 H GLU 16 HN GLU 16 4.329 -5.973 3.451 120 HA GLU 16 HA GLU 16 2.188 -4.751 1.990 121 HB2 GLU 16 HB2 GLU 16 1.189 -6.931 2.014 122 HB3 GLU 16 HB3 GLU 16 2.905 -7.094 1.767 123 HG2 GLU 16 HG2 GLU 16 2.791 -8.652 3.330 124 HG3 GLU 16 HG3 GLU 16 2.934 -7.322 4.438 125 H GLU 17 HN GLU 17 2.376 -5.904 5.372 126 HA GLU 17 HA GLU 17 -0.208 -5.233 6.076 127 HB2 GLU 17 HB2 GLU 17 2.375 -5.773 7.532 128 HB3 GLU 17 HB3 GLU 17 1.178 -4.846 8.423 129 HG2 GLU 17 HG2 GLU 17 -0.521 -6.681 7.690 130 HG3 GLU 17 HG3 GLU 17 0.909 -7.655 7.354 131 H ILE 18 HN ILE 18 2.660 -3.287 5.968 132 HA ILE 18 HA ILE 18 1.792 -1.001 7.455 133 HB ILE 18 HB ILE 18 3.928 -1.429 5.319 134 HG12 ILE 18 HG12 ILE 18 4.193 -1.184 8.343 135 HG13 ILE 18 HG13 ILE 18 4.054 -2.738 7.541 136 HG21 ILE 18 HG21 ILE 18 3.300 0.999 5.497 137 HG22 ILE 18 HG22 ILE 18 3.653 0.926 7.227 138 HG23 ILE 18 HG23 ILE 18 4.946 0.665 6.023 139 HD11 ILE 18 HD11 ILE 18 6.108 -2.344 6.296 140 HD12 ILE 18 HD12 ILE 18 6.338 -0.791 7.152 141 HD13 ILE 18 HD13 ILE 18 6.341 -2.332 8.032 142 H ALA 19 HN ALA 19 1.968 -1.678 3.912 143 HA ALA 19 HA ALA 19 0.620 0.597 2.944 144 HB1 ALA 19 HB1 ALA 19 0.145 -0.739 0.993 145 HB2 ALA 19 HB2 ALA 19 1.798 -1.048 1.558 146 HB3 ALA 19 HB3 ALA 19 0.507 -2.239 1.860 147 H VAL 20 HN VAL 20 -0.869 -2.633 3.915 148 HA VAL 20 HA VAL 20 -3.504 -1.697 3.477 149 HB VAL 20 HB VAL 20 -2.682 -3.835 5.499 150 HG11 VAL 20 HG11 VAL 20 -5.233 -3.289 3.900 151 HG12 VAL 20 HG12 VAL 20 -4.959 -4.719 4.929 152 HG13 VAL 20 HG13 VAL 20 -5.046 -3.119 5.647 153 HG21 VAL 20 HG21 VAL 20 -2.936 -4.014 2.484 154 HG22 VAL 20 HG22 VAL 20 -1.706 -4.691 3.568 155 HG23 VAL 20 HG23 VAL 20 -3.276 -5.422 3.527 156 H LYS 21 HN LYS 21 -1.622 -1.710 6.602 157 HA LYS 21 HA LYS 21 -3.947 -0.905 8.096 158 HB2 LYS 21 HB2 LYS 21 -1.002 -0.993 8.796 159 HB3 LYS 21 HB3 LYS 21 -2.261 -0.524 9.943 160 HG2 LYS 21 HG2 LYS 21 -3.379 -2.693 9.747 161 HG3 LYS 21 HG3 LYS 21 -2.260 -3.188 8.479 162 HD2 LYS 21 HD2 LYS 21 -0.453 -2.547 10.383 163 HD3 LYS 21 HD3 LYS 21 -1.790 -2.988 11.450 164 HE2 LYS 21 HE2 LYS 21 -0.817 -4.696 9.114 165 HE3 LYS 21 HE3 LYS 21 -0.072 -4.786 10.701 166 HZ1 LYS 21 HZ1 LYS 21 -2.101 -5.608 11.629 167 HZ2 LYS 21 HZ2 LYS 21 -1.622 -6.510 10.382 168 HZ3 LYS 21 HZ3 LYS 21 -2.899 -5.511 10.186 169 H GLU 22 HN GLU 22 -1.197 0.932 6.665 170 HA GLU 22 HA GLU 22 -1.951 3.482 7.671 171 HB2 GLU 22 HB2 GLU 22 -0.517 2.529 5.201 172 HB3 GLU 22 HB3 GLU 22 -0.937 4.215 5.455 173 HG2 GLU 22 HG2 GLU 22 0.736 2.607 7.383 174 HG3 GLU 22 HG3 GLU 22 1.399 3.619 6.113 175 H ALA 23 HN ALA 23 -2.834 1.759 4.623 176 HA ALA 23 HA ALA 23 -4.640 3.726 3.754 177 HB1 ALA 23 HB1 ALA 23 -5.361 2.069 2.093 178 HB2 ALA 23 HB2 ALA 23 -3.596 2.175 2.229 179 HB3 ALA 23 HB3 ALA 23 -4.472 0.811 2.988 180 H LYS 24 HN LYS 24 -5.189 1.733 6.371 181 HA LYS 24 HA LYS 24 -8.121 2.233 6.056 182 HB2 LYS 24 HB2 LYS 24 -8.734 0.581 7.512 183 HB3 LYS 24 HB3 LYS 24 -7.568 -0.146 6.411 184 HG2 LYS 24 HG2 LYS 24 -5.816 0.150 8.162 185 HG3 LYS 24 HG3 LYS 24 -7.079 0.818 9.216 186 HD2 LYS 24 HD2 LYS 24 -6.737 -1.419 9.904 187 HD3 LYS 24 HD3 LYS 24 -8.272 -1.409 9.032 188 HE2 LYS 24 HE2 LYS 24 -7.257 -2.405 7.069 189 HE3 LYS 24 HE3 LYS 24 -5.628 -2.164 7.723 190 HZ1 LYS 24 HZ1 LYS 24 -6.271 -4.429 7.988 191 HZ2 LYS 24 HZ2 LYS 24 -7.651 -4.043 8.787 192 HZ3 LYS 24 HZ3 LYS 24 -6.208 -3.742 9.497 193 H LYS 25 HN LYS 25 -5.278 2.789 8.170 194 HA LYS 25 HA LYS 25 -6.970 4.013 10.213 195 HB2 LYS 25 HB2 LYS 25 -4.955 4.784 11.284 196 HB3 LYS 25 HB3 LYS 25 -4.861 3.087 10.877 197 HG2 LYS 25 HG2 LYS 25 -2.768 3.671 10.290 198 HG3 LYS 25 HG3 LYS 25 -3.571 4.008 8.776 199 HD2 LYS 25 HD2 LYS 25 -2.911 6.127 8.788 200 HD3 LYS 25 HD3 LYS 25 -3.665 6.435 10.352 201 HE2 LYS 25 HE2 LYS 25 -0.926 5.139 9.938 202 HE3 LYS 25 HE3 LYS 25 -1.174 6.859 10.262 203 HZ1 LYS 25 HZ1 LYS 25 -2.050 6.347 12.396 204 HZ2 LYS 25 HZ2 LYS 25 -0.623 5.582 12.230 205 HZ3 LYS 25 HZ3 LYS 25 -2.010 4.717 12.118 206 H ARG 26 HN ARG 26 -5.119 5.274 7.488 207 HA ARG 26 HA ARG 26 -5.540 8.035 8.121 208 HB2 ARG 26 HB2 ARG 26 -3.871 6.804 6.419 209 HB3 ARG 26 HB3 ARG 26 -5.198 7.039 5.293 210 HG2 ARG 26 HG2 ARG 26 -3.947 8.955 4.933 211 HG3 ARG 26 HG3 ARG 26 -5.119 9.548 6.105 212 HD2 ARG 26 HD2 ARG 26 -3.400 8.963 7.920 213 HD3 ARG 26 HD3 ARG 26 -2.247 8.701 6.601 214 HE ARG 26 HE ARG 26 -3.739 11.232 6.592 215 HH11 ARG 26 HH11 ARG 26 -0.648 9.704 7.524 216 HH12 ARG 26 HH12 ARG 26 0.206 11.224 7.526 217 HH21 ARG 26 HH21 ARG 26 -2.694 13.148 6.783 218 HH22 ARG 26 HH22 ARG 26 -1.081 13.293 7.342 219 H TYR 27 HN TYR 27 -8.064 5.917 7.550 220 HA TYR 27 HA TYR 27 -9.543 7.660 5.690 221 HB2 TYR 27 HB2 TYR 27 -9.089 4.682 5.339 222 HB3 TYR 27 HB3 TYR 27 -10.312 5.642 4.517 223 HD1 TYR 27 HD1 TYR 27 -9.667 7.387 2.844 224 HD2 TYR 27 HD2 TYR 27 -6.718 4.943 4.814 225 HE1 TYR 27 HE1 TYR 27 -8.015 7.997 1.118 226 HE2 TYR 27 HE2 TYR 27 -5.036 5.600 3.073 227 HH TYR 27 HH TYR 27 -5.511 8.069 0.849 228 HA PRO 28 HA PRO 28 -12.239 6.449 9.210 229 HB2 PRO 28 HB2 PRO 28 -12.967 8.957 9.944 230 HB3 PRO 28 HB3 PRO 28 -11.384 8.259 10.417 231 HG2 PRO 28 HG2 PRO 28 -11.959 10.256 8.218 232 HG3 PRO 28 HG3 PRO 28 -10.542 10.143 9.320 233 HD2 PRO 28 HD2 PRO 28 -10.561 9.216 6.752 234 HD3 PRO 28 HD3 PRO 28 -9.431 8.748 8.062 235 H LEU 29 HN LEU 29 -12.527 8.684 6.437 236 HA LEU 29 HA LEU 29 -15.414 8.764 6.521 237 HB2 LEU 29 HB2 LEU 29 -13.544 9.583 4.268 238 HB3 LEU 29 HB3 LEU 29 -15.262 9.915 4.385 239 HG LEU 29 HG LEU 29 -12.970 11.182 5.857 240 HD11 LEU 29 HD11 LEU 29 -15.554 12.158 4.545 241 HD12 LEU 29 HD12 LEU 29 -13.901 12.266 3.898 242 HD13 LEU 29 HD13 LEU 29 -14.379 13.211 5.322 243 HD21 LEU 29 HD21 LEU 29 -15.802 11.166 6.963 244 HD22 LEU 29 HD22 LEU 29 -14.455 12.202 7.517 245 HD23 LEU 29 HD23 LEU 29 -14.360 10.470 7.744 246 H ALA 30 HN ALA 30 -13.178 6.535 5.292 247 HA ALA 30 HA ALA 30 -15.145 5.226 3.536 248 HB1 ALA 30 HB1 ALA 30 -12.268 5.955 2.773 249 HB2 ALA 30 HB2 ALA 30 -13.435 5.059 1.769 250 HB3 ALA 30 HB3 ALA 30 -13.710 6.765 2.149 251 H GLN 31 HN GLN 31 -14.382 2.970 2.987 252 HA GLN 31 HA GLN 31 -12.773 1.821 5.245 253 HB2 GLN 31 HB2 GLN 31 -15.116 0.558 3.839 254 HB3 GLN 31 HB3 GLN 31 -14.161 -0.148 5.134 255 HG2 GLN 31 HG2 GLN 31 -15.998 2.263 5.359 256 HG3 GLN 31 HG3 GLN 31 -16.286 0.630 5.929 257 HE21 GLN 31 HE21 GLN 31 -14.059 3.396 6.421 258 HE22 GLN 31 HE22 GLN 31 -13.843 3.130 8.139 259 H VAL 32 HN VAL 32 -11.237 0.219 4.619 260 HA VAL 32 HA VAL 32 -10.696 0.088 1.728 261 HB VAL 32 HB VAL 32 -8.916 0.444 3.496 262 HG11 VAL 32 HG11 VAL 32 -7.909 -1.497 4.587 263 HG12 VAL 32 HG12 VAL 32 -9.585 -1.285 5.146 264 HG13 VAL 32 HG13 VAL 32 -9.192 -2.555 3.972 265 HG21 VAL 32 HG21 VAL 32 -7.235 -0.825 2.310 266 HG22 VAL 32 HG22 VAL 32 -8.463 -1.913 1.629 267 HG23 VAL 32 HG23 VAL 32 -8.427 -0.200 1.165 268 H LEU 33 HN LEU 33 -10.938 -1.804 0.498 269 HA LEU 33 HA LEU 33 -11.962 -4.264 1.842 270 HB2 LEU 33 HB2 LEU 33 -13.415 -4.041 -0.547 271 HB3 LEU 33 HB3 LEU 33 -14.019 -4.101 1.072 272 HG LEU 33 HG LEU 33 -13.191 -1.402 -0.060 273 HD11 LEU 33 HD11 LEU 33 -15.311 -1.169 -1.144 274 HD12 LEU 33 HD12 LEU 33 -15.769 -2.843 -0.734 275 HD13 LEU 33 HD13 LEU 33 -14.409 -2.493 -1.844 276 HD21 LEU 33 HD21 LEU 33 -14.023 -1.522 2.321 277 HD22 LEU 33 HD22 LEU 33 -15.516 -2.275 1.737 278 HD23 LEU 33 HD23 LEU 33 -15.096 -0.612 1.296 279 H PHE 34 HN PHE 34 -9.555 -3.126 -0.051 280 HA PHE 34 HA PHE 34 -9.443 -5.500 -1.834 281 HB2 PHE 34 HB2 PHE 34 -10.286 -2.836 -2.490 282 HB3 PHE 34 HB3 PHE 34 -8.689 -3.003 -3.157 283 HD1 PHE 34 HD1 PHE 34 -8.254 -5.318 -4.481 284 HD2 PHE 34 HD2 PHE 34 -12.072 -3.406 -3.855 285 HE1 PHE 34 HE1 PHE 34 -9.068 -6.292 -6.585 286 HE2 PHE 34 HE2 PHE 34 -12.871 -4.335 -6.017 287 HZ PHE 34 HZ PHE 34 -11.380 -5.777 -7.390 288 H LYS 35 HN LYS 35 -7.254 -5.988 -2.438 289 HA LYS 35 HA LYS 35 -5.135 -4.162 -1.555 290 HB2 LYS 35 HB2 LYS 35 -4.763 -7.101 -1.054 291 HB3 LYS 35 HB3 LYS 35 -3.960 -5.754 -0.291 292 HG2 LYS 35 HG2 LYS 35 -6.839 -6.605 0.313 293 HG3 LYS 35 HG3 LYS 35 -5.405 -7.232 1.106 294 HD2 LYS 35 HD2 LYS 35 -4.839 -5.036 1.962 295 HD3 LYS 35 HD3 LYS 35 -6.260 -4.337 1.217 296 HE2 LYS 35 HE2 LYS 35 -6.691 -4.766 3.587 297 HE3 LYS 35 HE3 LYS 35 -7.747 -5.717 2.549 298 HZ1 LYS 35 HZ1 LYS 35 -5.444 -7.238 3.195 299 HZ2 LYS 35 HZ2 LYS 35 -7.034 -7.524 3.483 300 HZ3 LYS 35 HZ3 LYS 35 -6.123 -6.679 4.574 301 H GLN 36 HN GLN 36 -3.814 -3.863 -3.399 302 HA GLN 36 HA GLN 36 -3.107 -6.383 -4.720 303 HB2 GLN 36 HB2 GLN 36 -3.476 -5.830 -6.932 304 HB3 GLN 36 HB3 GLN 36 -4.979 -5.463 -6.103 305 HG2 GLN 36 HG2 GLN 36 -4.566 -3.078 -6.276 306 HG3 GLN 36 HG3 GLN 36 -2.936 -3.356 -6.898 307 HE21 GLN 36 HE21 GLN 36 -6.388 -3.894 -7.661 308 HE22 GLN 36 HE22 GLN 36 -6.171 -4.062 -9.402 309 H LYS 37 HN LYS 37 -1.193 -6.397 -5.926 310 HA LYS 37 HA LYS 37 0.989 -4.804 -4.966 311 HB2 LYS 37 HB2 LYS 37 2.272 -5.948 -6.733 312 HB3 LYS 37 HB3 LYS 37 1.263 -7.087 -5.836 313 HG2 LYS 37 HG2 LYS 37 -0.414 -7.080 -7.661 314 HG3 LYS 37 HG3 LYS 37 0.537 -5.883 -8.561 315 HD2 LYS 37 HD2 LYS 37 2.389 -7.447 -8.764 316 HD3 LYS 37 HD3 LYS 37 1.506 -8.649 -7.790 317 HE2 LYS 37 HE2 LYS 37 -0.299 -8.724 -9.463 318 HE3 LYS 37 HE3 LYS 37 0.524 -7.498 -10.431 319 HZ1 LYS 37 HZ1 LYS 37 1.617 -10.169 -9.842 320 HZ2 LYS 37 HZ2 LYS 37 2.306 -9.027 -10.817 321 HZ3 LYS 37 HZ3 LYS 37 0.867 -9.758 -11.224 322 H VAL 38 HN VAL 38 2.482 -3.544 -6.429 323 HA VAL 38 HA VAL 38 1.247 -2.336 -8.759 324 HB VAL 38 HB VAL 38 1.925 -0.036 -8.157 325 HG11 VAL 38 HG11 VAL 38 -0.027 -1.110 -6.132 326 HG12 VAL 38 HG12 VAL 38 0.084 0.527 -6.823 327 HG13 VAL 38 HG13 VAL 38 -0.420 -0.850 -7.830 328 HG21 VAL 38 HG21 VAL 38 2.260 0.626 -5.813 329 HG22 VAL 38 HG22 VAL 38 2.296 -1.077 -5.326 330 HG23 VAL 38 HG23 VAL 38 3.570 -0.398 -6.355 331 H TRP 39 HN TRP 39 3.206 -0.596 -9.390 332 HA TRP 39 HA TRP 39 5.492 -1.853 -10.382 333 HB2 TRP 39 HB2 TRP 39 4.499 0.379 -10.919 334 HB3 TRP 39 HB3 TRP 39 4.928 0.953 -9.320 335 HD1 TRP 39 HD1 TRP 39 6.510 -0.049 -12.648 336 HE1 TRP 39 HE1 TRP 39 8.655 1.303 -12.998 337 HE3 TRP 39 HE3 TRP 39 6.817 2.138 -8.034 338 HZ2 TRP 39 HZ2 TRP 39 10.169 3.282 -11.528 339 HZ3 TRP 39 HZ3 TRP 39 8.614 3.777 -7.549 340 HH2 TRP 39 HH2 TRP 39 10.291 4.372 -9.293 341 H ASP 40 HN ASP 40 7.678 -1.890 -9.511 342 HA ASP 40 HA ASP 40 8.133 -1.065 -6.789 343 HB2 ASP 40 HB2 ASP 40 9.039 -3.088 -5.949 344 HB3 ASP 40 HB3 ASP 40 7.434 -3.508 -6.539 345 H ARG 41 HN ARG 41 10.356 -0.541 -6.589 346 HA ARG 41 HA ARG 41 12.172 -1.055 -8.791 347 HB2 ARG 41 HB2 ARG 41 10.375 0.887 -9.352 348 HB3 ARG 41 HB3 ARG 41 11.473 1.887 -8.423 349 HG2 ARG 41 HG2 ARG 41 12.734 0.139 -10.493 350 HG3 ARG 41 HG3 ARG 41 11.588 1.292 -11.140 351 HD2 ARG 41 HD2 ARG 41 12.919 3.090 -10.795 352 HD3 ARG 41 HD3 ARG 41 13.551 2.483 -9.249 353 HE ARG 41 HE ARG 41 14.635 0.727 -10.998 354 HH11 ARG 41 HH11 ARG 41 14.837 4.346 -10.969 355 HH12 ARG 41 HH12 ARG 41 16.375 4.274 -11.750 356 HH21 ARG 41 HH21 ARG 41 16.670 0.763 -11.680 357 HH22 ARG 41 HH22 ARG 41 17.561 2.256 -11.833 358 H LYS 42 HN LYS 42 14.267 0.408 -8.401 359 HA LYS 42 HA LYS 42 14.459 1.419 -5.688 360 HB2 LYS 42 HB2 LYS 42 16.549 0.082 -5.241 361 HB3 LYS 42 HB3 LYS 42 15.048 -0.818 -5.096 362 HG2 LYS 42 HG2 LYS 42 16.516 -0.837 -7.733 363 HG3 LYS 42 HG3 LYS 42 17.173 -1.748 -6.391 364 HD2 LYS 42 HD2 LYS 42 14.254 -2.191 -7.061 365 HD3 LYS 42 HD3 LYS 42 15.494 -2.858 -8.109 366 HE2 LYS 42 HE2 LYS 42 16.595 -3.817 -6.022 367 HE3 LYS 42 HE3 LYS 42 15.153 -3.342 -5.121 368 HZ1 LYS 42 HZ1 LYS 42 15.034 -5.611 -5.826 369 HZ2 LYS 42 HZ2 LYS 42 15.277 -5.197 -7.411 370 HZ3 LYS 42 HZ3 LYS 42 13.872 -4.779 -6.618 371 H ARG 43 HN ARG 43 16.250 2.610 -5.393 372 HA ARG 43 HA ARG 43 17.482 3.831 -7.801 373 HB2 ARG 43 HB2 ARG 43 16.981 4.964 -5.016 374 HB3 ARG 43 HB3 ARG 43 17.988 5.707 -6.266 375 HG2 ARG 43 HG2 ARG 43 16.110 6.872 -6.518 376 HG3 ARG 43 HG3 ARG 43 15.961 5.686 -7.806 377 HD2 ARG 43 HD2 ARG 43 14.221 4.531 -6.689 378 HD3 ARG 43 HD3 ARG 43 14.669 5.214 -5.101 379 HE ARG 43 HE ARG 43 14.148 7.458 -6.210 380 HH11 ARG 43 HH11 ARG 43 11.904 4.704 -6.402 381 HH12 ARG 43 HH12 ARG 43 10.649 5.731 -7.075 382 HH21 ARG 43 HH21 ARG 43 12.602 8.625 -7.078 383 HH22 ARG 43 HH22 ARG 43 11.034 7.981 -7.508 384 H LYS 44 HN LYS 44 19.677 4.864 -6.131 385 HA LYS 44 HA LYS 44 21.440 2.539 -6.285 386 HB2 LYS 44 HB2 LYS 44 21.719 5.367 -5.170 387 HB3 LYS 44 HB3 LYS 44 23.022 4.185 -5.125 388 HG2 LYS 44 HG2 LYS 44 21.718 5.216 -7.685 389 HG3 LYS 44 HG3 LYS 44 23.219 5.814 -6.963 390 HD2 LYS 44 HD2 LYS 44 24.131 3.438 -7.122 391 HD3 LYS 44 HD3 LYS 44 22.724 3.055 -8.149 392 HE2 LYS 44 HE2 LYS 44 23.364 4.872 -9.706 393 HE3 LYS 44 HE3 LYS 44 24.683 5.345 -8.627 394 HZ1 LYS 44 HZ1 LYS 44 25.615 4.069 -10.282 395 HZ2 LYS 44 HZ2 LYS 44 24.503 2.842 -10.180 396 HZ3 LYS 44 HZ3 LYS 44 25.623 3.104 -8.983 397 H ASP 45 HN ASP 45 20.002 4.514 -3.647 398 HA ASP 45 HA ASP 45 20.856 2.528 -1.629 399 HB2 ASP 45 HB2 ASP 45 21.347 4.527 -0.238 400 HB3 ASP 45 HB3 ASP 45 22.390 4.332 -1.640 401 H GLU 46 HN GLU 46 18.188 3.081 -3.073 402 HA GLU 46 HA GLU 46 16.501 3.259 -0.684 403 HB2 GLU 46 HB2 GLU 46 17.006 5.534 -2.300 404 HB3 GLU 46 HB3 GLU 46 15.448 4.918 -2.868 405 HG2 GLU 46 HG2 GLU 46 14.560 4.995 -0.593 406 HG3 GLU 46 HG3 GLU 46 16.131 5.520 0.037 407 H ALA 47 HN ALA 47 14.365 2.416 -1.163 408 HA ALA 47 HA ALA 47 13.926 1.063 -3.739 409 HB1 ALA 47 HB1 ALA 47 15.281 -0.528 -2.513 410 HB2 ALA 47 HB2 ALA 47 14.290 -0.327 -1.056 411 HB3 ALA 47 HB3 ALA 47 13.607 -1.101 -2.513 412 H VAL 48 HN VAL 48 11.742 0.403 -4.008 413 HA VAL 48 HA VAL 48 9.731 1.315 -2.075 414 HB VAL 48 HB VAL 48 8.553 2.491 -4.044 415 HG11 VAL 48 HG11 VAL 48 9.545 3.757 -2.202 416 HG12 VAL 48 HG12 VAL 48 11.106 3.801 -3.050 417 HG13 VAL 48 HG13 VAL 48 9.688 4.624 -3.732 418 HG21 VAL 48 HG21 VAL 48 9.944 1.688 -5.925 419 HG22 VAL 48 HG22 VAL 48 9.936 3.451 -5.817 420 HG23 VAL 48 HG23 VAL 48 11.355 2.550 -5.261 421 H LYS 49 HN LYS 49 8.140 -0.094 -1.928 422 HA LYS 49 HA LYS 49 7.493 -2.058 -4.025 423 HB2 LYS 49 HB2 LYS 49 9.634 -2.782 -2.998 424 HB3 LYS 49 HB3 LYS 49 8.906 -2.692 -1.394 425 HG2 LYS 49 HG2 LYS 49 7.515 -4.604 -1.838 426 HG3 LYS 49 HG3 LYS 49 8.000 -4.630 -3.556 427 HD2 LYS 49 HD2 LYS 49 10.151 -5.395 -3.085 428 HD3 LYS 49 HD3 LYS 49 10.206 -4.591 -1.520 429 HE2 LYS 49 HE2 LYS 49 10.203 -6.887 -1.016 430 HE3 LYS 49 HE3 LYS 49 8.606 -6.271 -0.605 431 HZ1 LYS 49 HZ1 LYS 49 7.763 -7.216 -2.680 432 HZ2 LYS 49 HZ2 LYS 49 8.415 -8.344 -1.705 433 HZ3 LYS 49 HZ3 LYS 49 9.259 -7.895 -2.997 434 H GLN 50 HN GLN 50 5.696 -0.431 -3.473 435 HA GLN 50 HA GLN 50 4.307 -1.006 -0.915 436 HB2 GLN 50 HB2 GLN 50 3.275 1.165 -2.664 437 HB3 GLN 50 HB3 GLN 50 3.478 1.077 -0.927 438 HG2 GLN 50 HG2 GLN 50 4.951 2.745 -1.484 439 HG3 GLN 50 HG3 GLN 50 6.058 1.371 -1.457 440 HE21 GLN 50 HE21 GLN 50 4.291 3.711 -3.454 441 HE22 GLN 50 HE22 GLN 50 4.942 3.229 -5.013 442 H TYR 51 HN TYR 51 1.688 -0.264 -1.687 443 HA TYR 51 HA TYR 51 0.866 -2.269 -3.695 444 HB2 TYR 51 HB2 TYR 51 -0.116 -2.062 -0.822 445 HB3 TYR 51 HB3 TYR 51 -0.894 -3.024 -2.054 446 HD1 TYR 51 HD1 TYR 51 2.127 -2.743 0.080 447 HD2 TYR 51 HD2 TYR 51 0.125 -5.064 -2.931 448 HE1 TYR 51 HE1 TYR 51 3.809 -4.568 0.367 449 HE2 TYR 51 HE2 TYR 51 1.858 -6.823 -2.752 450 HH TYR 51 HH TYR 51 3.562 -7.691 -1.196 451 H HIS 52 HN HIS 52 -1.659 -1.955 -3.936 452 HA HIS 52 HA HIS 52 -2.484 0.888 -3.846 453 HB2 HIS 52 HB2 HIS 52 -1.952 0.422 -6.161 454 HB3 HIS 52 HB3 HIS 52 -2.809 -1.137 -6.113 455 HD1 HIS 52 HD1 HIS 52 -4.373 2.134 -4.756 456 HD2 HIS 52 HD2 HIS 52 -4.495 -0.435 -8.111 457 HE1 HIS 52 HE1 HIS 52 -6.286 2.877 -6.130 458 H LEU 53 HN LEU 53 -4.425 1.023 -2.730 459 HA LEU 53 HA LEU 53 -6.006 -1.446 -2.353 460 HB2 LEU 53 HB2 LEU 53 -5.640 0.934 -0.486 461 HB3 LEU 53 HB3 LEU 53 -6.507 -0.553 -0.173 462 HG LEU 53 HG LEU 53 -4.570 -0.583 1.059 463 HD11 LEU 53 HD11 LEU 53 -5.128 -2.722 0.125 464 HD12 LEU 53 HD12 LEU 53 -3.406 -2.595 0.517 465 HD13 LEU 53 HD13 LEU 53 -3.935 -2.464 -1.172 466 HD21 LEU 53 HD21 LEU 53 -3.151 1.023 -0.210 467 HD22 LEU 53 HD22 LEU 53 -2.587 -0.360 -1.181 468 HD23 LEU 53 HD23 LEU 53 -2.328 -0.346 0.560 469 H THR 54 HN THR 54 -8.364 -0.872 -2.027 470 HA THR 54 HA THR 54 -9.161 1.632 -3.438 471 HB THR 54 HB THR 54 -10.504 -1.077 -3.479 472 HG1 THR 54 HG1 THR 54 -9.498 0.167 -5.773 473 HG21 THR 54 HG21 THR 54 -11.294 1.264 -5.212 474 HG22 THR 54 HG22 THR 54 -12.054 0.899 -3.648 475 HG23 THR 54 HG23 THR 54 -12.127 -0.299 -4.920 476 H LEU 55 HN LEU 55 -10.600 2.804 -2.390 477 HA LEU 55 HA LEU 55 -11.563 1.926 0.295 478 HB2 LEU 55 HB2 LEU 55 -10.623 4.569 -0.799 479 HB3 LEU 55 HB3 LEU 55 -11.782 4.570 0.480 480 HG LEU 55 HG LEU 55 -9.558 4.961 1.269 481 HD11 LEU 55 HD11 LEU 55 -10.546 2.338 2.307 482 HD12 LEU 55 HD12 LEU 55 -11.175 3.923 2.798 483 HD13 LEU 55 HD13 LEU 55 -9.487 3.453 3.147 484 HD21 LEU 55 HD21 LEU 55 -8.893 2.067 0.635 485 HD22 LEU 55 HD22 LEU 55 -7.846 3.314 1.355 486 HD23 LEU 55 HD23 LEU 55 -8.400 3.457 -0.340 487 H ARG 56 HN ARG 56 -13.576 2.570 0.876 488 HA ARG 56 HA ARG 56 -15.471 3.524 -1.247 489 HB2 ARG 56 HB2 ARG 56 -15.497 1.057 -0.845 490 HB3 ARG 56 HB3 ARG 56 -15.985 1.365 0.830 491 HG2 ARG 56 HG2 ARG 56 -18.030 2.495 0.016 492 HG3 ARG 56 HG3 ARG 56 -17.498 2.216 -1.665 493 HD2 ARG 56 HD2 ARG 56 -17.694 -0.167 -1.416 494 HD3 ARG 56 HD3 ARG 56 -17.982 -0.034 0.312 495 HE ARG 56 HE ARG 56 -19.918 1.440 -1.247 496 HH11 ARG 56 HH11 ARG 56 -19.170 -1.924 -0.988 497 HH12 ARG 56 HH12 ARG 56 -20.701 -2.448 -0.337 498 HH21 ARG 56 HH21 ARG 56 -22.088 0.829 -0.576 499 HH22 ARG 56 HH22 ARG 56 -22.432 -0.809 -0.120 500 H GLU 57 HN GLU 57 -15.832 5.611 -0.558 501 HA GLU 57 HA GLU 57 -16.485 6.242 2.277 502 HB2 GLU 57 HB2 GLU 57 -15.216 7.977 1.127 503 HB3 GLU 57 HB3 GLU 57 -16.238 7.907 -0.289 504 HG2 GLU 57 HG2 GLU 57 -17.568 8.598 2.322 505 HG3 GLU 57 HG3 GLU 57 -16.435 9.759 1.670 506 H GLY 58 HN GLY 58 -18.640 5.671 2.777 507 HA2 GLY 58 HA1 GLY 58 -20.886 5.314 2.523 508 HA3 GLY 58 HA2 GLY 58 -20.762 6.919 1.792 509 H SER 59 HN SER 59 -21.255 7.155 -0.308 510 HA SER 59 HA SER 59 -21.791 4.789 -2.016 511 HB2 SER 59 HB2 SER 59 -23.389 7.351 -1.788 512 HB3 SER 59 HB3 SER 59 -23.683 6.028 -2.936 513 HG SER 59 HG SER 59 -24.025 4.633 -1.229 514 H LYS 60 HN LYS 60 -19.282 5.989 -1.872 515 HA LYS 60 HA LYS 60 -18.914 6.553 -4.716 516 HB2 LYS 60 HB2 LYS 60 -18.622 8.716 -3.621 517 HB3 LYS 60 HB3 LYS 60 -17.598 8.012 -2.370 518 HG2 LYS 60 HG2 LYS 60 -15.794 7.696 -3.861 519 HG3 LYS 60 HG3 LYS 60 -16.791 7.822 -5.280 520 HD2 LYS 60 HD2 LYS 60 -15.542 9.791 -5.225 521 HD3 LYS 60 HD3 LYS 60 -17.166 10.277 -4.682 522 HE2 LYS 60 HE2 LYS 60 -16.468 10.377 -2.379 523 HE3 LYS 60 HE3 LYS 60 -14.974 9.490 -2.730 524 HZ1 LYS 60 HZ1 LYS 60 -15.520 12.220 -3.708 525 HZ2 LYS 60 HZ2 LYS 60 -14.154 11.304 -3.954 526 HZ3 LYS 60 HZ3 LYS 60 -14.550 11.808 -2.460 527 H GLU 61 HN GLU 61 -16.628 5.765 -5.321 528 HA GLU 61 HA GLU 61 -15.255 4.079 -3.379 529 HB2 GLU 61 HB2 GLU 61 -17.263 2.903 -4.637 530 HB3 GLU 61 HB3 GLU 61 -16.106 2.737 -5.957 531 HG2 GLU 61 HG2 GLU 61 -14.754 1.293 -4.694 532 HG3 GLU 61 HG3 GLU 61 -15.415 1.861 -3.151 533 H PHE 62 HN PHE 62 -13.049 4.174 -3.855 534 HA PHE 62 HA PHE 62 -12.136 5.276 -6.434 535 HB2 PHE 62 HB2 PHE 62 -10.988 7.153 -5.269 536 HB3 PHE 62 HB3 PHE 62 -12.739 7.290 -5.239 537 HD1 PHE 62 HD2 PHE 62 -13.997 6.847 -3.158 538 HD2 PHE 62 HD1 PHE 62 -9.695 6.910 -3.140 539 HE1 PHE 62 HE2 PHE 62 -14.041 7.146 -0.747 540 HE2 PHE 62 HE1 PHE 62 -9.722 7.230 -0.692 541 HZ PHE 62 HZ PHE 62 -11.852 7.267 0.550 542 H GLY 63 HN GLY 63 -9.761 5.354 -6.478 543 HA2 GLY 63 HA1 GLY 63 -8.602 3.069 -4.986 544 HA3 GLY 63 HA2 GLY 63 -8.016 3.818 -6.476 545 H VAL 64 HN VAL 64 -6.833 3.347 -3.595 546 HA VAL 64 HA VAL 64 -5.509 6.027 -3.590 547 HB VAL 64 HB VAL 64 -5.316 6.001 -1.280 548 HG11 VAL 64 HG11 VAL 64 -7.620 6.044 -0.487 549 HG12 VAL 64 HG12 VAL 64 -7.522 6.701 -2.128 550 HG13 VAL 64 HG13 VAL 64 -8.163 5.076 -1.861 551 HG21 VAL 64 HG21 VAL 64 -6.399 3.182 -1.198 552 HG22 VAL 64 HG22 VAL 64 -4.761 3.711 -0.776 553 HG23 VAL 64 HG23 VAL 64 -6.109 4.239 0.220 554 H PHE 65 HN PHE 65 -3.270 6.082 -3.189 555 HA PHE 65 HA PHE 65 -1.913 3.463 -3.665 556 HB2 PHE 65 HB2 PHE 65 -0.840 6.127 -4.604 557 HB3 PHE 65 HB3 PHE 65 -0.159 4.592 -4.859 558 HD1 PHE 65 HD1 PHE 65 -1.473 2.859 -6.307 559 HD2 PHE 65 HD2 PHE 65 -2.439 7.069 -6.107 560 HE1 PHE 65 HE1 PHE 65 -2.575 2.728 -8.537 561 HE2 PHE 65 HE2 PHE 65 -3.520 6.927 -8.323 562 HZ PHE 65 HZ PHE 65 -3.541 4.779 -9.561 563 H VAL 66 HN VAL 66 0.545 3.877 -2.962 564 HA VAL 66 HA VAL 66 0.467 4.770 -0.121 565 HB VAL 66 HB VAL 66 1.246 1.976 -1.116 566 HG11 VAL 66 HG11 VAL 66 2.562 2.848 0.853 567 HG12 VAL 66 HG12 VAL 66 1.030 2.853 1.739 568 HG13 VAL 66 HG13 VAL 66 1.678 1.346 1.083 569 HG21 VAL 66 HG21 VAL 66 -0.680 1.274 0.363 570 HG22 VAL 66 HG22 VAL 66 -1.216 2.960 0.300 571 HG23 VAL 66 HG23 VAL 66 -1.109 2.022 -1.185 572 H THR 67 HN THR 67 2.451 5.626 0.558 573 HA THR 67 HA THR 67 4.778 5.276 -1.248 574 HB THR 67 HB THR 67 3.989 7.670 0.428 575 HG1 THR 67 HG1 THR 67 3.810 8.651 -1.630 576 HG21 THR 67 HG21 THR 67 6.344 7.191 -1.444 577 HG22 THR 67 HG22 THR 67 6.453 7.331 0.321 578 HG23 THR 67 HG23 THR 67 5.980 8.731 -0.636 579 H ILE 68 HN ILE 68 5.848 3.680 -0.240 580 HA ILE 68 HA ILE 68 6.697 4.144 2.548 581 HB ILE 68 HB ILE 68 6.397 1.468 1.101 582 HG12 ILE 68 HG12 ILE 68 5.033 2.167 3.720 583 HG13 ILE 68 HG13 ILE 68 4.273 2.561 2.196 584 HG21 ILE 68 HG21 ILE 68 7.219 0.541 3.299 585 HG22 ILE 68 HG22 ILE 68 8.428 1.509 2.454 586 HG23 ILE 68 HG23 ILE 68 7.553 2.210 3.827 587 HD11 ILE 68 HD11 ILE 68 3.428 0.444 2.965 588 HD12 ILE 68 HD12 ILE 68 4.412 0.150 1.520 589 HD13 ILE 68 HD13 ILE 68 5.058 -0.220 3.140 590 H SER 69 HN SER 69 8.640 5.191 2.074 591 HA SER 69 HA SER 69 10.308 4.176 -0.193 592 HB2 SER 69 HB2 SER 69 10.565 6.737 1.433 593 HB3 SER 69 HB3 SER 69 11.578 6.227 0.065 594 HG SER 69 HG SER 69 9.801 7.750 -0.348 595 H PHE 70 HN PHE 70 11.913 2.747 0.434 596 HA PHE 70 HA PHE 70 12.790 2.832 3.266 597 HB2 PHE 70 HB2 PHE 70 12.539 0.545 3.568 598 HB3 PHE 70 HB3 PHE 70 11.014 1.127 2.954 599 HD1 PHE 70 HD2 PHE 70 10.426 0.631 0.482 600 HD2 PHE 70 HD1 PHE 70 13.803 -1.126 2.469 601 HE1 PHE 70 HE2 PHE 70 10.524 -1.146 -1.233 602 HE2 PHE 70 HE1 PHE 70 13.871 -2.948 0.771 603 HZ PHE 70 HZ PHE 70 12.209 -2.967 -1.080 604 H ASP 71 HN ASP 71 14.704 1.439 3.577 605 HA ASP 71 HA ASP 71 16.806 2.219 1.617 606 HB2 ASP 71 HB2 ASP 71 16.801 2.982 3.991 607 HB3 ASP 71 HB3 ASP 71 16.726 1.309 4.510 608 HA PRO 72 HA PRO 72 16.959 -2.128 0.699 609 HB2 PRO 72 HB2 PRO 72 18.942 -2.419 -0.984 610 HB3 PRO 72 HB3 PRO 72 17.464 -1.482 -1.364 611 HG2 PRO 72 HG2 PRO 72 20.156 -0.376 -0.439 612 HG3 PRO 72 HG3 PRO 72 19.144 0.210 -1.791 613 HD2 PRO 72 HD2 PRO 72 19.058 1.333 0.733 614 HD3 PRO 72 HD3 PRO 72 17.625 1.259 -0.340 615 H TYR 73 HN TYR 73 19.445 -0.657 2.588 616 HA TYR 73 HA TYR 73 21.396 -2.740 2.654 617 HB2 TYR 73 HB2 TYR 73 20.831 -0.703 4.849 618 HB3 TYR 73 HB3 TYR 73 22.249 -1.684 4.654 619 HD1 TYR 73 HD1 TYR 73 20.916 0.190 1.642 620 HD2 TYR 73 HD2 TYR 73 23.585 0.303 5.027 621 HE1 TYR 73 HE1 TYR 73 22.031 2.086 0.666 622 HE2 TYR 73 HE2 TYR 73 24.760 2.228 4.014 623 HH TYR 73 HH TYR 73 24.725 3.844 2.228 624 H SER 74 HN SER 74 18.754 -1.820 4.938 625 HA SER 74 HA SER 74 18.648 -4.623 5.963 626 HB2 SER 74 HB2 SER 74 20.386 -3.083 7.094 627 HB3 SER 74 HB3 SER 74 19.004 -2.207 7.762 628 HG SER 74 HG SER 74 19.652 -3.666 9.197 629 H GLN 75 HN GLN 75 16.788 -2.495 4.566 630 HA GLN 75 HA GLN 75 14.639 -1.834 4.563 631 HB2 GLN 75 HB2 GLN 75 14.467 -4.538 5.938 632 HB3 GLN 75 HB3 GLN 75 13.053 -3.520 5.912 633 HG2 GLN 75 HG2 GLN 75 12.504 -4.293 3.953 634 HG3 GLN 75 HG3 GLN 75 13.859 -3.451 3.246 635 HE21 GLN 75 HE21 GLN 75 15.421 -4.652 2.444 636 HE22 GLN 75 HE22 GLN 75 15.704 -6.336 2.512 637 H LYS 76 HN LYS 76 15.936 -0.068 5.865 638 HA LYS 76 HA LYS 76 14.244 0.529 8.235 639 HB2 LYS 76 HB2 LYS 76 16.551 2.011 6.867 640 HB3 LYS 76 HB3 LYS 76 15.389 2.785 7.952 641 HG2 LYS 76 HG2 LYS 76 15.972 0.897 9.620 642 HG3 LYS 76 HG3 LYS 76 17.422 0.648 8.633 643 HD2 LYS 76 HD2 LYS 76 17.939 3.103 8.934 644 HD3 LYS 76 HD3 LYS 76 16.513 3.251 9.961 645 HE2 LYS 76 HE2 LYS 76 18.935 1.474 10.522 646 HE3 LYS 76 HE3 LYS 76 18.627 3.050 11.255 647 HZ1 LYS 76 HZ1 LYS 76 16.541 2.088 12.148 648 HZ2 LYS 76 HZ2 LYS 76 17.903 1.333 12.735 649 HZ3 LYS 76 HZ3 LYS 76 16.983 0.619 11.595 650 H VAL 77 HN VAL 77 12.396 1.623 7.808 651 HA VAL 77 HA VAL 77 11.837 2.589 5.089 652 HB VAL 77 HB VAL 77 10.080 1.524 5.936 653 HG11 VAL 77 HG11 VAL 77 10.200 3.017 8.561 654 HG12 VAL 77 HG12 VAL 77 8.929 1.861 8.039 655 HG13 VAL 77 HG13 VAL 77 10.573 1.290 8.278 656 HG21 VAL 77 HG21 VAL 77 8.310 3.169 6.155 657 HG22 VAL 77 HG22 VAL 77 9.482 4.453 6.486 658 HG23 VAL 77 HG23 VAL 77 9.458 3.651 4.893 659 H ASN 78 HN ASN 78 12.262 4.542 4.427 660 HA ASN 78 HA ASN 78 13.831 6.315 6.154 661 HB2 ASN 78 HB2 ASN 78 13.110 6.338 3.181 662 HB3 ASN 78 HB3 ASN 78 14.080 7.580 3.967 663 HD21 ASN 78 HD21 ASN 78 14.579 4.886 2.053 664 HD22 ASN 78 HD22 ASN 78 16.001 4.297 2.889 665 H LYS 79 HN LYS 79 10.877 6.491 4.078 666 HA LYS 79 HA LYS 79 9.595 8.296 6.016 667 HB2 LYS 79 HB2 LYS 79 10.340 9.056 3.163 668 HB3 LYS 79 HB3 LYS 79 8.934 9.760 3.982 669 HG2 LYS 79 HG2 LYS 79 10.533 10.401 5.887 670 HG3 LYS 79 HG3 LYS 79 11.853 10.080 4.750 671 HD2 LYS 79 HD2 LYS 79 11.046 11.823 3.243 672 HD3 LYS 79 HD3 LYS 79 9.531 11.970 4.160 673 HE2 LYS 79 HE2 LYS 79 11.018 12.535 6.196 674 HE3 LYS 79 HE3 LYS 79 12.327 12.780 5.041 675 HZ1 LYS 79 HZ1 LYS 79 11.028 14.554 4.032 676 HZ2 LYS 79 HZ2 LYS 79 11.106 14.790 5.651 677 HZ3 LYS 79 HZ3 LYS 79 9.727 14.213 4.999 678 H ILE 80 HN ILE 80 7.334 8.476 5.670 679 HA ILE 80 HA ILE 80 6.080 6.530 3.833 680 HB ILE 80 HB ILE 80 5.505 7.202 6.750 681 HG12 ILE 80 HG12 ILE 80 7.121 5.446 6.518 682 HG13 ILE 80 HG13 ILE 80 5.583 4.754 6.972 683 HG21 ILE 80 HG21 ILE 80 3.507 5.706 6.623 684 HG22 ILE 80 HG22 ILE 80 3.306 7.238 5.781 685 HG23 ILE 80 HG23 ILE 80 3.622 5.760 4.855 686 HD11 ILE 80 HD11 ILE 80 5.278 4.343 4.391 687 HD12 ILE 80 HD12 ILE 80 7.063 4.425 4.488 688 HD13 ILE 80 HD13 ILE 80 6.173 3.233 5.441 689 H ALA 81 HN ALA 81 4.248 7.346 2.816 690 HA ALA 81 HA ALA 81 2.909 9.717 3.771 691 HB1 ALA 81 HB1 ALA 81 4.084 9.726 0.948 692 HB2 ALA 81 HB2 ALA 81 2.886 10.867 1.548 693 HB3 ALA 81 HB3 ALA 81 4.493 10.840 2.273 694 H ILE 82 HN ILE 82 0.941 10.059 2.188 695 HA ILE 82 HA ILE 82 -0.129 7.435 1.312 696 HB ILE 82 HB ILE 82 -1.465 9.611 2.933 697 HG12 ILE 82 HG12 ILE 82 -0.158 7.906 4.183 698 HG13 ILE 82 HG13 ILE 82 -1.857 7.921 4.555 699 HG21 ILE 82 HG21 ILE 82 -3.554 8.214 2.804 700 HG22 ILE 82 HG22 ILE 82 -3.129 9.025 1.297 701 HG23 ILE 82 HG23 ILE 82 -2.802 7.294 1.498 702 HD11 ILE 82 HD11 ILE 82 -0.489 5.693 4.167 703 HD12 ILE 82 HD12 ILE 82 -2.226 5.776 3.767 704 HD13 ILE 82 HD13 ILE 82 -0.991 5.914 2.501 705 H LEU 83 HN LEU 83 -1.766 7.732 -0.463 706 HA LEU 83 HA LEU 83 -1.468 10.135 -2.106 707 HB2 LEU 83 HB2 LEU 83 -0.278 7.483 -2.522 708 HB3 LEU 83 HB3 LEU 83 -1.571 7.755 -3.661 709 HG LEU 83 HG LEU 83 0.752 8.241 -4.456 710 HD11 LEU 83 HD11 LEU 83 -0.076 10.336 -5.652 711 HD12 LEU 83 HD12 LEU 83 -1.530 10.204 -4.620 712 HD13 LEU 83 HD13 LEU 83 -1.099 8.891 -5.721 713 HD21 LEU 83 HD21 LEU 83 1.827 10.316 -3.956 714 HD22 LEU 83 HD22 LEU 83 1.559 9.469 -2.424 715 HD23 LEU 83 HD23 LEU 83 0.515 10.827 -2.892 716 H GLU 84 HN GLU 84 -3.325 10.304 -3.433 717 HA GLU 84 HA GLU 84 -5.492 8.336 -3.108 718 HB2 GLU 84 HB2 GLU 84 -5.441 10.569 -1.435 719 HB3 GLU 84 HB3 GLU 84 -6.386 11.157 -2.805 720 HG2 GLU 84 HG2 GLU 84 -7.828 9.063 -2.570 721 HG3 GLU 84 HG3 GLU 84 -6.923 8.701 -1.097 722 H GLU 85 HN GLU 85 -6.759 8.237 -4.971 723 HA GLU 85 HA GLU 85 -5.916 9.721 -7.333 724 HB2 GLU 85 HB2 GLU 85 -6.685 7.355 -7.427 725 HB3 GLU 85 HB3 GLU 85 -8.226 7.812 -6.707 726 HG2 GLU 85 HG2 GLU 85 -8.528 7.435 -9.044 727 HG3 GLU 85 HG3 GLU 85 -8.811 9.126 -8.698 728 H TYR 86 HN TYR 86 -7.347 11.207 -8.454 729 HA TYR 86 HA TYR 86 -9.864 11.962 -7.315 730 HB2 TYR 86 HB2 TYR 86 -9.323 14.418 -7.223 731 HB3 TYR 86 HB3 TYR 86 -8.660 13.445 -5.929 732 HD1 TYR 86 HD2 TYR 86 -7.729 14.866 -9.284 733 HD2 TYR 86 HD1 TYR 86 -6.381 13.630 -5.387 734 HE1 TYR 86 HE2 TYR 86 -5.514 15.616 -9.869 735 HE2 TYR 86 HE1 TYR 86 -4.111 14.477 -5.903 736 HH TYR 86 HH TYR 86 -3.323 15.985 -9.062 737 H GLN 87 HN GLN 87 -11.076 13.329 -8.837 738 HA GLN 87 HA GLN 87 -10.211 12.976 -11.647 739 HB2 GLN 87 HB2 GLN 87 -12.575 11.746 -10.120 740 HB3 GLN 87 HB3 GLN 87 -12.474 11.699 -11.862 741 HG2 GLN 87 HG2 GLN 87 -10.892 10.031 -11.908 742 HG3 GLN 87 HG3 GLN 87 -10.176 10.474 -10.364 743 HE21 GLN 87 HE21 GLN 87 -10.494 8.898 -8.844 744 HE22 GLN 87 HE22 GLN 87 -11.872 7.826 -8.836 Start of MODEL 21 1 H1 GLY 1 HN GLY 1 -15.761 -15.871 6.788 2 HA2 GLY 1 HA1 GLY 1 -16.084 -15.180 4.455 3 HA3 GLY 1 HA2 GLY 1 -15.774 -13.520 5.003 4 H GLU 2 HN GLU 2 -14.148 -13.978 3.093 5 HA GLU 2 HA GLU 2 -11.552 -14.992 4.194 6 HB2 GLU 2 HB2 GLU 2 -12.355 -16.184 2.175 7 HB3 GLU 2 HB3 GLU 2 -12.413 -14.658 1.290 8 HG2 GLU 2 HG2 GLU 2 -10.108 -14.493 1.125 9 HG3 GLU 2 HG3 GLU 2 -9.831 -15.333 2.636 10 H GLU 3 HN GLU 3 -9.816 -13.491 4.109 11 HA GLU 3 HA GLU 3 -10.593 -10.922 4.787 12 HB2 GLU 3 HB2 GLU 3 -7.852 -11.900 3.889 13 HB3 GLU 3 HB3 GLU 3 -8.179 -10.344 4.648 14 HG2 GLU 3 HG2 GLU 3 -9.225 -11.777 6.577 15 HG3 GLU 3 HG3 GLU 3 -8.330 -13.111 5.872 16 H THR 4 HN THR 4 -9.652 -12.065 1.539 17 HA THR 4 HA THR 4 -10.537 -9.655 0.302 18 HB THR 4 HB THR 4 -7.861 -9.796 -0.692 19 HG1 THR 4 HG1 THR 4 -7.126 -10.652 1.344 20 HG21 THR 4 HG21 THR 4 -7.693 -7.502 0.140 21 HG22 THR 4 HG22 THR 4 -9.077 -7.748 1.227 22 HG23 THR 4 HG23 THR 4 -9.312 -7.758 -0.521 23 HA PRO 5 HA PRO 5 -11.058 -12.647 -2.898 24 HB2 PRO 5 HB2 PRO 5 -10.823 -11.355 -5.281 25 HB3 PRO 5 HB3 PRO 5 -12.107 -10.942 -4.105 26 HG2 PRO 5 HG2 PRO 5 -9.418 -9.558 -4.467 27 HG3 PRO 5 HG3 PRO 5 -11.056 -8.820 -4.385 28 HD2 PRO 5 HD2 PRO 5 -9.384 -8.996 -2.256 29 HD3 PRO 5 HD3 PRO 5 -11.153 -9.106 -2.057 30 H LEU 6 HN LEU 6 -9.101 -13.843 -2.144 31 HA LEU 6 HA LEU 6 -7.200 -14.186 -4.328 32 HB2 LEU 6 HB2 LEU 6 -5.345 -14.095 -2.486 33 HB3 LEU 6 HB3 LEU 6 -5.860 -12.684 -3.380 34 HG LEU 6 HG LEU 6 -7.300 -12.002 -1.439 35 HD11 LEU 6 HD11 LEU 6 -7.630 -14.167 -0.325 36 HD12 LEU 6 HD12 LEU 6 -6.846 -13.029 0.776 37 HD13 LEU 6 HD13 LEU 6 -5.897 -14.307 -0.045 38 HD21 LEU 6 HD21 LEU 6 -5.129 -11.047 -1.861 39 HD22 LEU 6 HD22 LEU 6 -4.351 -12.317 -0.879 40 HD23 LEU 6 HD23 LEU 6 -5.461 -11.146 -0.131 41 H VAL 7 HN VAL 7 -8.803 -15.974 -4.287 42 HA VAL 7 HA VAL 7 -8.530 -18.026 -2.270 43 HB VAL 7 HB VAL 7 -9.631 -18.318 -5.088 44 HG11 VAL 7 HG11 VAL 7 -11.122 -19.983 -4.035 45 HG12 VAL 7 HG12 VAL 7 -9.439 -20.436 -3.879 46 HG13 VAL 7 HG13 VAL 7 -10.284 -19.743 -2.479 47 HG21 VAL 7 HG21 VAL 7 -11.854 -17.728 -4.183 48 HG22 VAL 7 HG22 VAL 7 -11.106 -17.316 -2.613 49 HG23 VAL 7 HG23 VAL 7 -10.772 -16.364 -4.070 50 H THR 8 HN THR 8 -6.418 -16.954 -4.728 51 HA THR 8 HA THR 8 -4.807 -19.409 -4.419 52 HB THR 8 HB THR 8 -5.196 -17.931 -7.045 53 HG1 THR 8 HG1 THR 8 -6.245 -20.408 -6.173 54 HG21 THR 8 HG21 THR 8 -3.880 -19.732 -8.039 55 HG22 THR 8 HG22 THR 8 -3.662 -20.480 -6.423 56 HG23 THR 8 HG23 THR 8 -2.936 -18.910 -6.794 57 H ALA 9 HN ALA 9 -4.062 -17.749 -2.683 58 HA ALA 9 HA ALA 9 -1.456 -17.429 -3.541 59 HB1 ALA 9 HB1 ALA 9 -1.859 -15.349 -4.594 60 HB2 ALA 9 HB2 ALA 9 -2.866 -14.752 -3.249 61 HB3 ALA 9 HB3 ALA 9 -1.105 -14.942 -3.056 62 H ARG 10 HN ARG 10 -0.001 -17.063 -1.827 63 HA ARG 10 HA ARG 10 -1.124 -16.738 0.898 64 HB2 ARG 10 HB2 ARG 10 -1.050 -19.252 -0.076 65 HB3 ARG 10 HB3 ARG 10 0.633 -19.130 0.421 66 HG2 ARG 10 HG2 ARG 10 -0.482 -18.199 2.696 67 HG3 ARG 10 HG3 ARG 10 -1.914 -19.006 2.050 68 HD2 ARG 10 HD2 ARG 10 -0.889 -20.596 3.425 69 HD3 ARG 10 HD3 ARG 10 -0.428 -21.103 1.799 70 HE ARG 10 HE ARG 10 1.599 -19.403 2.606 71 HH11 ARG 10 HH11 ARG 10 0.168 -22.326 4.079 72 HH12 ARG 10 HH12 ARG 10 1.649 -22.873 4.781 73 HH21 ARG 10 HH21 ARG 10 3.533 -20.041 3.785 74 HH22 ARG 10 HH22 ARG 10 3.526 -21.522 4.688 75 H HIS 11 HN HIS 11 0.788 -15.139 -0.807 76 HA HIS 11 HA HIS 11 3.258 -15.326 0.853 77 HB2 HIS 11 HB2 HIS 11 3.564 -16.388 -1.351 78 HB3 HIS 11 HB3 HIS 11 3.009 -14.926 -2.146 79 HD1 HIS 11 HD1 HIS 11 5.469 -15.149 -3.368 80 HD2 HIS 11 HD2 HIS 11 5.396 -14.120 0.727 81 HE1 HIS 11 HE1 HIS 11 7.733 -14.048 -2.832 82 H MET 12 HN MET 12 2.825 -13.543 2.179 83 HA MET 12 HA MET 12 2.088 -10.990 0.941 84 HB2 MET 12 HB2 MET 12 0.915 -11.945 2.936 85 HB3 MET 12 HB3 MET 12 2.411 -11.734 3.866 86 HG2 MET 12 HG2 MET 12 2.328 -9.317 3.513 87 HG3 MET 12 HG3 MET 12 0.998 -9.511 2.372 88 HE1 MET 12 HE1 MET 12 -1.767 -8.377 4.525 89 HE2 MET 12 HE2 MET 12 -0.404 -7.559 3.728 90 HE3 MET 12 HE3 MET 12 -1.236 -8.910 2.913 91 H SER 13 HN SER 13 3.513 -9.459 0.546 92 HA SER 13 HA SER 13 6.329 -9.733 1.080 93 HB2 SER 13 HB2 SER 13 4.692 -8.389 -0.769 94 HB3 SER 13 HB3 SER 13 5.285 -7.073 0.242 95 HG SER 13 HG SER 13 6.836 -9.097 -0.997 96 H LYS 14 HN LYS 14 7.591 -8.049 2.144 97 HA LYS 14 HA LYS 14 7.099 -7.719 4.831 98 HB2 LYS 14 HB2 LYS 14 9.287 -7.391 3.592 99 HB3 LYS 14 HB3 LYS 14 8.687 -5.851 2.999 100 HG2 LYS 14 HG2 LYS 14 10.070 -5.233 4.744 101 HG3 LYS 14 HG3 LYS 14 8.470 -5.138 5.479 102 HD2 LYS 14 HD2 LYS 14 8.856 -7.453 6.429 103 HD3 LYS 14 HD3 LYS 14 10.491 -7.422 5.737 104 HE2 LYS 14 HE2 LYS 14 11.010 -5.364 7.047 105 HE3 LYS 14 HE3 LYS 14 9.389 -5.418 7.765 106 HZ1 LYS 14 HZ1 LYS 14 9.908 -7.217 9.013 107 HZ2 LYS 14 HZ2 LYS 14 11.351 -6.428 9.004 108 HZ3 LYS 14 HZ3 LYS 14 11.122 -7.759 8.040 109 H TRP 15 HN TRP 15 6.604 -5.211 2.341 110 HA TRP 15 HA TRP 15 5.252 -3.502 4.325 111 HB2 TRP 15 HB2 TRP 15 5.850 -2.861 1.409 112 HB3 TRP 15 HB3 TRP 15 5.603 -1.741 2.728 113 HD1 TRP 15 HD1 TRP 15 8.255 -3.831 1.016 114 HE1 TRP 15 HE1 TRP 15 10.538 -3.102 1.781 115 HE3 TRP 15 HE3 TRP 15 6.835 -0.816 4.881 116 HZ2 TRP 15 HZ2 TRP 15 11.653 -1.695 4.139 117 HZ3 TRP 15 HZ3 TRP 15 8.515 0.116 6.435 118 HH2 TRP 15 HH2 TRP 15 10.968 -0.356 6.056 119 H GLU 16 HN GLU 16 3.928 -5.952 2.640 120 HA GLU 16 HA GLU 16 1.854 -4.602 1.111 121 HB2 GLU 16 HB2 GLU 16 2.270 -7.406 2.169 122 HB3 GLU 16 HB3 GLU 16 0.625 -6.896 1.796 123 HG2 GLU 16 HG2 GLU 16 1.297 -6.169 -0.428 124 HG3 GLU 16 HG3 GLU 16 2.943 -6.785 -0.121 125 H GLU 17 HN GLU 17 2.053 -5.818 4.509 126 HA GLU 17 HA GLU 17 -0.523 -4.876 5.151 127 HB2 GLU 17 HB2 GLU 17 -0.221 -5.905 7.113 128 HB3 GLU 17 HB3 GLU 17 1.027 -6.729 6.128 129 HG2 GLU 17 HG2 GLU 17 2.581 -4.988 6.802 130 HG3 GLU 17 HG3 GLU 17 1.351 -4.365 7.943 131 H ILE 18 HN ILE 18 2.666 -3.347 5.393 132 HA ILE 18 HA ILE 18 1.946 -1.279 7.234 133 HB ILE 18 HB ILE 18 4.177 -1.444 5.166 134 HG12 ILE 18 HG12 ILE 18 4.239 -2.079 8.170 135 HG13 ILE 18 HG13 ILE 18 4.087 -3.307 6.924 136 HG21 ILE 18 HG21 ILE 18 3.862 0.416 7.566 137 HG22 ILE 18 HG22 ILE 18 5.369 0.221 6.657 138 HG23 ILE 18 HG23 ILE 18 3.963 0.870 5.854 139 HD11 ILE 18 HD11 ILE 18 6.257 -2.697 5.974 140 HD12 ILE 18 HD12 ILE 18 6.505 -1.529 7.296 141 HD13 ILE 18 HD13 ILE 18 6.377 -3.256 7.623 142 H ALA 19 HN ALA 19 1.836 -1.540 3.716 143 HA ALA 19 HA ALA 19 0.911 1.077 3.158 144 HB1 ALA 19 HB1 ALA 19 0.058 0.129 1.082 145 HB2 ALA 19 HB2 ALA 19 1.641 -0.580 1.479 146 HB3 ALA 19 HB3 ALA 19 0.162 -1.517 1.747 147 H VAL 20 HN VAL 20 -0.866 -1.915 3.974 148 HA VAL 20 HA VAL 20 -3.482 -0.944 3.605 149 HB VAL 20 HB VAL 20 -2.558 -3.076 5.614 150 HG11 VAL 20 HG11 VAL 20 -4.736 -4.074 5.366 151 HG12 VAL 20 HG12 VAL 20 -4.965 -2.369 5.769 152 HG13 VAL 20 HG13 VAL 20 -5.187 -2.914 4.102 153 HG21 VAL 20 HG21 VAL 20 -3.525 -3.992 2.971 154 HG22 VAL 20 HG22 VAL 20 -1.942 -3.298 3.007 155 HG23 VAL 20 HG23 VAL 20 -2.296 -4.655 4.091 156 H LYS 21 HN LYS 21 -1.397 -1.120 6.540 157 HA LYS 21 HA LYS 21 -3.426 -0.297 8.324 158 HB2 LYS 21 HB2 LYS 21 -0.393 -0.186 8.558 159 HB3 LYS 21 HB3 LYS 21 -1.487 0.260 9.881 160 HG2 LYS 21 HG2 LYS 21 -2.572 -1.981 9.766 161 HG3 LYS 21 HG3 LYS 21 -1.505 -2.425 8.442 162 HD2 LYS 21 HD2 LYS 21 -0.478 -3.447 10.176 163 HD3 LYS 21 HD3 LYS 21 0.455 -1.964 10.109 164 HE2 LYS 21 HE2 LYS 21 -1.942 -2.455 11.961 165 HE3 LYS 21 HE3 LYS 21 -0.273 -2.819 12.393 166 HZ1 LYS 21 HZ1 LYS 21 -1.331 -0.102 11.903 167 HZ2 LYS 21 HZ2 LYS 21 0.262 -0.479 12.144 168 HZ3 LYS 21 HZ3 LYS 21 -0.873 -0.750 13.308 169 H GLU 22 HN GLU 22 -1.050 1.697 6.510 170 HA GLU 22 HA GLU 22 -1.961 4.184 7.687 171 HB2 GLU 22 HB2 GLU 22 -0.406 3.559 5.184 172 HB3 GLU 22 HB3 GLU 22 -0.863 5.198 5.695 173 HG2 GLU 22 HG2 GLU 22 0.486 3.553 7.751 174 HG3 GLU 22 HG3 GLU 22 1.476 3.965 6.381 175 H ALA 23 HN ALA 23 -2.701 2.445 4.606 176 HA ALA 23 HA ALA 23 -4.564 4.276 3.613 177 HB1 ALA 23 HB1 ALA 23 -4.456 1.267 3.193 178 HB2 ALA 23 HB2 ALA 23 -5.303 2.446 2.166 179 HB3 ALA 23 HB3 ALA 23 -3.537 2.493 2.286 180 H LYS 24 HN LYS 24 -5.105 1.824 6.132 181 HA LYS 24 HA LYS 24 -8.018 2.395 6.046 182 HB2 LYS 24 HB2 LYS 24 -8.423 0.730 7.556 183 HB3 LYS 24 HB3 LYS 24 -7.204 0.083 6.456 184 HG2 LYS 24 HG2 LYS 24 -5.458 0.593 8.166 185 HG3 LYS 24 HG3 LYS 24 -6.748 1.198 9.209 186 HD2 LYS 24 HD2 LYS 24 -6.147 -1.009 9.959 187 HD3 LYS 24 HD3 LYS 24 -7.760 -1.096 9.236 188 HE2 LYS 24 HE2 LYS 24 -6.945 -2.159 7.265 189 HE3 LYS 24 HE3 LYS 24 -5.266 -1.740 7.638 190 HZ1 LYS 24 HZ1 LYS 24 -6.597 -3.459 9.575 191 HZ2 LYS 24 HZ2 LYS 24 -5.055 -3.485 9.023 192 HZ3 LYS 24 HZ3 LYS 24 -6.210 -4.126 8.110 193 H LYS 25 HN LYS 25 -5.248 3.249 8.163 194 HA LYS 25 HA LYS 25 -7.101 4.353 10.075 195 HB2 LYS 25 HB2 LYS 25 -5.265 5.180 11.278 196 HB3 LYS 25 HB3 LYS 25 -4.889 3.544 10.735 197 HG2 LYS 25 HG2 LYS 25 -3.564 4.716 8.862 198 HG3 LYS 25 HG3 LYS 25 -3.791 6.197 9.773 199 HD2 LYS 25 HD2 LYS 25 -2.701 5.085 11.764 200 HD3 LYS 25 HD3 LYS 25 -2.417 3.663 10.755 201 HE2 LYS 25 HE2 LYS 25 -0.387 4.952 10.788 202 HE3 LYS 25 HE3 LYS 25 -1.086 5.038 9.179 203 HZ1 LYS 25 HZ1 LYS 25 -1.192 7.158 11.222 204 HZ2 LYS 25 HZ2 LYS 25 -1.988 7.246 9.812 205 HZ3 LYS 25 HZ3 LYS 25 -0.353 7.148 9.779 206 H ARG 26 HN ARG 26 -5.132 5.857 7.499 207 HA ARG 26 HA ARG 26 -5.781 8.550 8.227 208 HB2 ARG 26 HB2 ARG 26 -3.748 7.899 7.075 209 HB3 ARG 26 HB3 ARG 26 -4.657 7.409 5.639 210 HG2 ARG 26 HG2 ARG 26 -5.208 9.610 5.070 211 HG3 ARG 26 HG3 ARG 26 -4.951 10.222 6.719 212 HD2 ARG 26 HD2 ARG 26 -2.559 10.017 6.481 213 HD3 ARG 26 HD3 ARG 26 -2.734 9.257 4.911 214 HE ARG 26 HE ARG 26 -4.131 11.572 4.560 215 HH11 ARG 26 HH11 ARG 26 -0.870 11.112 5.892 216 HH12 ARG 26 HH12 ARG 26 -0.262 12.598 5.258 217 HH21 ARG 26 HH21 ARG 26 -3.286 13.483 3.614 218 HH22 ARG 26 HH22 ARG 26 -1.720 14.042 4.060 219 H TYR 27 HN TYR 27 -8.147 6.494 7.345 220 HA TYR 27 HA TYR 27 -9.496 8.282 5.427 221 HB2 TYR 27 HB2 TYR 27 -8.989 5.307 5.096 222 HB3 TYR 27 HB3 TYR 27 -10.214 6.212 4.220 223 HD1 TYR 27 HD2 TYR 27 -6.530 5.958 4.792 224 HD2 TYR 27 HD1 TYR 27 -9.665 7.524 2.295 225 HE1 TYR 27 HE2 TYR 27 -4.863 6.458 3.033 226 HE2 TYR 27 HE1 TYR 27 -8.022 8.081 0.565 227 HH TYR 27 HH TYR 27 -5.725 7.982 -0.075 228 HA PRO 28 HA PRO 28 -12.142 6.945 8.921 229 HB2 PRO 28 HB2 PRO 28 -13.078 9.412 9.657 230 HB3 PRO 28 HB3 PRO 28 -11.498 8.749 10.170 231 HG2 PRO 28 HG2 PRO 28 -12.033 10.776 8.007 232 HG3 PRO 28 HG3 PRO 28 -10.663 10.671 9.171 233 HD2 PRO 28 HD2 PRO 28 -10.522 9.855 6.571 234 HD3 PRO 28 HD3 PRO 28 -9.492 9.280 7.904 235 H LEU 29 HN LEU 29 -12.843 8.856 5.967 236 HA LEU 29 HA LEU 29 -15.748 8.538 6.388 237 HB2 LEU 29 HB2 LEU 29 -14.076 9.878 4.245 238 HB3 LEU 29 HB3 LEU 29 -15.773 9.573 4.016 239 HG LEU 29 HG LEU 29 -15.358 11.836 4.735 240 HD11 LEU 29 HD11 LEU 29 -16.895 10.343 6.898 241 HD12 LEU 29 HD12 LEU 29 -17.520 10.741 5.284 242 HD13 LEU 29 HD13 LEU 29 -17.084 12.040 6.405 243 HD21 LEU 29 HD21 LEU 29 -14.620 12.471 6.918 244 HD22 LEU 29 HD22 LEU 29 -13.386 11.442 6.181 245 HD23 LEU 29 HD23 LEU 29 -14.484 10.784 7.429 246 H ALA 30 HN ALA 30 -13.330 6.415 5.444 247 HA ALA 30 HA ALA 30 -15.132 4.909 3.676 248 HB1 ALA 30 HB1 ALA 30 -13.709 6.438 2.256 249 HB2 ALA 30 HB2 ALA 30 -12.265 5.667 2.936 250 HB3 ALA 30 HB3 ALA 30 -13.415 4.712 1.960 251 H GLN 31 HN GLN 31 -14.152 2.772 3.193 252 HA GLN 31 HA GLN 31 -12.638 1.660 5.538 253 HB2 GLN 31 HB2 GLN 31 -14.938 0.391 3.963 254 HB3 GLN 31 HB3 GLN 31 -13.925 -0.444 5.145 255 HG2 GLN 31 HG2 GLN 31 -15.233 0.260 6.805 256 HG3 GLN 31 HG3 GLN 31 -14.654 1.887 6.453 257 HE21 GLN 31 HE21 GLN 31 -16.198 2.078 3.810 258 HE22 GLN 31 HE22 GLN 31 -17.797 2.450 4.414 259 H VAL 32 HN VAL 32 -11.157 0.078 5.104 260 HA VAL 32 HA VAL 32 -10.216 -0.109 2.303 261 HB VAL 32 HB VAL 32 -8.965 -0.837 4.982 262 HG11 VAL 32 HG11 VAL 32 -7.689 -1.460 2.274 263 HG12 VAL 32 HG12 VAL 32 -6.970 -1.644 3.879 264 HG13 VAL 32 HG13 VAL 32 -8.315 -2.670 3.408 265 HG21 VAL 32 HG21 VAL 32 -8.082 0.961 2.678 266 HG22 VAL 32 HG22 VAL 32 -8.751 1.499 4.228 267 HG23 VAL 32 HG23 VAL 32 -7.178 0.680 4.162 268 H LEU 33 HN LEU 33 -10.434 -2.189 1.273 269 HA LEU 33 HA LEU 33 -11.336 -4.607 2.681 270 HB2 LEU 33 HB2 LEU 33 -13.148 -4.761 0.872 271 HB3 LEU 33 HB3 LEU 33 -13.481 -3.780 2.271 272 HG LEU 33 HG LEU 33 -12.225 -2.387 -0.079 273 HD11 LEU 33 HD11 LEU 33 -14.358 -2.105 -1.255 274 HD12 LEU 33 HD12 LEU 33 -15.103 -3.322 -0.191 275 HD13 LEU 33 HD13 LEU 33 -13.797 -3.785 -1.283 276 HD21 LEU 33 HD21 LEU 33 -13.399 -0.568 0.718 277 HD22 LEU 33 HD22 LEU 33 -13.216 -1.423 2.240 278 HD23 LEU 33 HD23 LEU 33 -14.730 -1.550 1.381 279 H PHE 34 HN PHE 34 -9.268 -3.182 0.423 280 HA PHE 34 HA PHE 34 -9.032 -5.643 -1.205 281 HB2 PHE 34 HB2 PHE 34 -9.810 -2.976 -2.048 282 HB3 PHE 34 HB3 PHE 34 -8.205 -3.321 -2.679 283 HD1 PHE 34 HD1 PHE 34 -7.808 -5.414 -4.060 284 HD2 PHE 34 HD2 PHE 34 -11.762 -4.067 -2.948 285 HE1 PHE 34 HE1 PHE 34 -8.784 -6.916 -5.736 286 HE2 PHE 34 HE2 PHE 34 -12.738 -5.558 -4.650 287 HZ PHE 34 HZ PHE 34 -11.252 -6.999 -6.056 288 H LYS 35 HN LYS 35 -6.818 -6.034 -1.883 289 HA LYS 35 HA LYS 35 -4.670 -4.367 -0.735 290 HB2 LYS 35 HB2 LYS 35 -5.136 -7.274 0.059 291 HB3 LYS 35 HB3 LYS 35 -3.644 -6.364 0.358 292 HG2 LYS 35 HG2 LYS 35 -5.064 -4.726 1.696 293 HG3 LYS 35 HG3 LYS 35 -6.391 -5.875 1.566 294 HD2 LYS 35 HD2 LYS 35 -3.666 -6.612 2.720 295 HD3 LYS 35 HD3 LYS 35 -4.993 -6.011 3.715 296 HE2 LYS 35 HE2 LYS 35 -5.303 -8.436 1.901 297 HE3 LYS 35 HE3 LYS 35 -4.696 -8.578 3.548 298 HZ1 LYS 35 HZ1 LYS 35 -7.214 -7.155 3.161 299 HZ2 LYS 35 HZ2 LYS 35 -6.706 -8.049 4.432 300 HZ3 LYS 35 HZ3 LYS 35 -7.189 -8.799 3.036 301 H GLN 36 HN GLN 36 -3.737 -3.996 -2.843 302 HA GLN 36 HA GLN 36 -2.570 -6.433 -4.017 303 HB2 GLN 36 HB2 GLN 36 -4.718 -6.073 -5.177 304 HB3 GLN 36 HB3 GLN 36 -4.259 -4.428 -5.549 305 HG2 GLN 36 HG2 GLN 36 -4.007 -5.860 -7.500 306 HG3 GLN 36 HG3 GLN 36 -2.447 -5.235 -6.996 307 HE21 GLN 36 HE21 GLN 36 -1.570 -6.988 -8.329 308 HE22 GLN 36 HE22 GLN 36 -1.444 -8.610 -7.682 309 H LYS 37 HN LYS 37 -0.595 -6.119 -4.904 310 HA LYS 37 HA LYS 37 0.883 -3.655 -4.355 311 HB2 LYS 37 HB2 LYS 37 2.814 -5.022 -5.082 312 HB3 LYS 37 HB3 LYS 37 1.819 -5.887 -3.914 313 HG2 LYS 37 HG2 LYS 37 0.654 -6.855 -6.136 314 HG3 LYS 37 HG3 LYS 37 2.180 -6.413 -6.881 315 HD2 LYS 37 HD2 LYS 37 3.353 -8.085 -5.747 316 HD3 LYS 37 HD3 LYS 37 2.292 -8.029 -4.326 317 HE2 LYS 37 HE2 LYS 37 0.426 -8.977 -5.698 318 HE3 LYS 37 HE3 LYS 37 1.553 -9.192 -7.046 319 HZ1 LYS 37 HZ1 LYS 37 1.856 -10.447 -4.375 320 HZ2 LYS 37 HZ2 LYS 37 2.774 -10.755 -5.697 321 HZ3 LYS 37 HZ3 LYS 37 1.163 -11.172 -5.630 322 H VAL 38 HN VAL 38 2.184 -2.518 -5.951 323 HA VAL 38 HA VAL 38 2.566 -3.419 -8.505 324 HB VAL 38 HB VAL 38 0.393 -2.900 -9.224 325 HG11 VAL 38 HG11 VAL 38 -0.323 -1.300 -7.427 326 HG12 VAL 38 HG12 VAL 38 0.633 -0.031 -8.219 327 HG13 VAL 38 HG13 VAL 38 -0.749 -0.779 -9.048 328 HG21 VAL 38 HG21 VAL 38 0.783 -1.525 -11.061 329 HG22 VAL 38 HG22 VAL 38 2.075 -0.621 -10.223 330 HG23 VAL 38 HG23 VAL 38 2.297 -2.325 -10.688 331 H TRP 39 HN TRP 39 4.644 -2.837 -8.461 332 HA TRP 39 HA TRP 39 5.654 -0.454 -9.206 333 HB2 TRP 39 HB2 TRP 39 5.298 0.769 -7.245 334 HB3 TRP 39 HB3 TRP 39 5.625 -0.620 -6.204 335 HD1 TRP 39 HD1 TRP 39 8.147 -1.479 -6.166 336 HE1 TRP 39 HE1 TRP 39 10.335 -0.103 -5.906 337 HE3 TRP 39 HE3 TRP 39 6.572 2.984 -8.111 338 HZ2 TRP 39 HZ2 TRP 39 11.197 2.524 -6.387 339 HZ3 TRP 39 HZ3 TRP 39 8.053 4.956 -8.020 340 HH2 TRP 39 HH2 TRP 39 10.425 4.721 -7.228 341 H ASP 40 HN ASP 40 8.012 -0.780 -9.683 342 HA ASP 40 HA ASP 40 9.210 -3.087 -8.373 343 HB2 ASP 40 HB2 ASP 40 7.676 -4.012 -10.243 344 HB3 ASP 40 HB3 ASP 40 8.725 -3.209 -11.397 345 H ARG 41 HN ARG 41 10.296 -0.844 -7.932 346 HA ARG 41 HA ARG 41 12.763 -0.742 -9.576 347 HB2 ARG 41 HB2 ARG 41 11.590 1.006 -10.410 348 HB3 ARG 41 HB3 ARG 41 10.685 1.320 -8.982 349 HG2 ARG 41 HG2 ARG 41 12.031 3.216 -9.256 350 HG3 ARG 41 HG3 ARG 41 12.649 2.358 -7.884 351 HD2 ARG 41 HD2 ARG 41 14.514 3.168 -8.881 352 HD3 ARG 41 HD3 ARG 41 14.478 1.472 -9.250 353 HE ARG 41 HE ARG 41 14.646 1.971 -11.434 354 HH11 ARG 41 HH11 ARG 41 13.141 4.889 -9.929 355 HH12 ARG 41 HH12 ARG 41 12.730 5.553 -11.470 356 HH21 ARG 41 HH21 ARG 41 13.995 2.899 -13.401 357 HH22 ARG 41 HH22 ARG 41 13.183 4.412 -13.453 358 H LYS 42 HN LYS 42 14.643 -0.191 -8.398 359 HA LYS 42 HA LYS 42 14.403 0.877 -5.763 360 HB2 LYS 42 HB2 LYS 42 15.803 -0.825 -4.607 361 HB3 LYS 42 HB3 LYS 42 14.290 -1.527 -5.107 362 HG2 LYS 42 HG2 LYS 42 16.752 -1.792 -6.864 363 HG3 LYS 42 HG3 LYS 42 16.565 -2.815 -5.461 364 HD2 LYS 42 HD2 LYS 42 14.293 -2.712 -7.453 365 HD3 LYS 42 HD3 LYS 42 15.750 -3.610 -7.836 366 HE2 LYS 42 HE2 LYS 42 15.533 -4.993 -5.913 367 HE3 LYS 42 HE3 LYS 42 14.161 -4.073 -5.285 368 HZ1 LYS 42 HZ1 LYS 42 12.776 -4.983 -6.861 369 HZ2 LYS 42 HZ2 LYS 42 13.803 -6.232 -6.690 370 HZ3 LYS 42 HZ3 LYS 42 13.947 -5.204 -7.980 371 H ARG 43 HN ARG 43 16.806 1.090 -4.837 372 HA ARG 43 HA ARG 43 18.656 1.822 -7.051 373 HB2 ARG 43 HB2 ARG 43 18.433 2.994 -4.253 374 HB3 ARG 43 HB3 ARG 43 19.617 3.384 -5.472 375 HG2 ARG 43 HG2 ARG 43 17.159 3.840 -6.770 376 HG3 ARG 43 HG3 ARG 43 16.894 4.390 -5.115 377 HD2 ARG 43 HD2 ARG 43 19.099 5.236 -7.002 378 HD3 ARG 43 HD3 ARG 43 17.734 6.228 -6.481 379 HE ARG 43 HE ARG 43 20.172 5.519 -4.952 380 HH11 ARG 43 HH11 ARG 43 16.907 6.982 -4.669 381 HH12 ARG 43 HH12 ARG 43 17.254 7.622 -3.099 382 HH21 ARG 43 HH21 ARG 43 20.563 6.301 -2.981 383 HH22 ARG 43 HH22 ARG 43 19.474 7.401 -2.191 384 H LYS 44 HN LYS 44 21.016 1.767 -5.791 385 HA LYS 44 HA LYS 44 21.363 -0.942 -4.701 386 HB2 LYS 44 HB2 LYS 44 23.203 1.423 -5.222 387 HB3 LYS 44 HB3 LYS 44 23.704 0.113 -4.169 388 HG2 LYS 44 HG2 LYS 44 24.553 -0.280 -6.384 389 HG3 LYS 44 HG3 LYS 44 23.401 -1.541 -5.928 390 HD2 LYS 44 HD2 LYS 44 21.670 -0.532 -7.342 391 HD3 LYS 44 HD3 LYS 44 22.744 0.841 -7.712 392 HE2 LYS 44 HE2 LYS 44 24.343 -0.731 -8.759 393 HE3 LYS 44 HE3 LYS 44 23.271 -2.094 -8.399 394 HZ1 LYS 44 HZ1 LYS 44 21.638 -1.137 -9.888 395 HZ2 LYS 44 HZ2 LYS 44 23.059 -1.215 -10.674 396 HZ3 LYS 44 HZ3 LYS 44 22.526 0.224 -10.088 397 H ASP 45 HN ASP 45 20.883 2.335 -3.556 398 HA ASP 45 HA ASP 45 21.400 1.623 -0.743 399 HB2 ASP 45 HB2 ASP 45 22.682 3.636 -0.663 400 HB3 ASP 45 HB3 ASP 45 23.290 2.655 -1.973 401 H GLU 46 HN GLU 46 18.881 1.864 -2.300 402 HA GLU 46 HA GLU 46 17.365 2.863 -0.241 403 HB2 GLU 46 HB2 GLU 46 18.003 5.023 -1.820 404 HB3 GLU 46 HB3 GLU 46 16.571 4.418 -2.652 405 HG2 GLU 46 HG2 GLU 46 15.296 4.565 -0.564 406 HG3 GLU 46 HG3 GLU 46 16.749 5.110 0.294 407 H ALA 47 HN ALA 47 14.949 2.545 -0.942 408 HA ALA 47 HA ALA 47 14.400 1.150 -3.436 409 HB1 ALA 47 HB1 ALA 47 13.981 -0.119 -0.710 410 HB2 ALA 47 HB2 ALA 47 13.323 -0.727 -2.250 411 HB3 ALA 47 HB3 ALA 47 15.079 -0.718 -1.974 412 H VAL 48 HN VAL 48 11.984 1.028 -3.697 413 HA VAL 48 HA VAL 48 10.499 2.522 -1.697 414 HB VAL 48 HB VAL 48 9.831 3.156 -4.507 415 HG11 VAL 48 HG11 VAL 48 8.373 3.909 -2.732 416 HG12 VAL 48 HG12 VAL 48 9.684 4.939 -2.126 417 HG13 VAL 48 HG13 VAL 48 9.009 5.215 -3.736 418 HG21 VAL 48 HG21 VAL 48 11.240 5.184 -4.667 419 HG22 VAL 48 HG22 VAL 48 12.082 4.710 -3.187 420 HG23 VAL 48 HG23 VAL 48 12.234 3.736 -4.663 421 H LYS 49 HN LYS 49 8.109 1.922 -2.102 422 HA LYS 49 HA LYS 49 7.486 -0.003 -4.161 423 HB2 LYS 49 HB2 LYS 49 7.957 -0.840 -1.343 424 HB3 LYS 49 HB3 LYS 49 6.373 -1.299 -1.957 425 HG2 LYS 49 HG2 LYS 49 7.213 -2.672 -3.645 426 HG3 LYS 49 HG3 LYS 49 8.819 -2.017 -3.646 427 HD2 LYS 49 HD2 LYS 49 9.493 -3.219 -1.778 428 HD3 LYS 49 HD3 LYS 49 7.925 -3.109 -1.000 429 HE2 LYS 49 HE2 LYS 49 8.561 -4.991 -3.297 430 HE3 LYS 49 HE3 LYS 49 8.520 -5.408 -1.570 431 HZ1 LYS 49 HZ1 LYS 49 6.450 -5.979 -2.742 432 HZ2 LYS 49 HZ2 LYS 49 6.174 -4.409 -3.110 433 HZ3 LYS 49 HZ3 LYS 49 6.143 -4.846 -1.565 434 H GLN 50 HN GLN 50 5.049 -0.255 -4.207 435 HA GLN 50 HA GLN 50 3.548 1.366 -2.364 436 HB2 GLN 50 HB2 GLN 50 3.224 1.879 -5.354 437 HB3 GLN 50 HB3 GLN 50 2.230 2.516 -4.059 438 HG2 GLN 50 HG2 GLN 50 3.504 4.342 -4.361 439 HG3 GLN 50 HG3 GLN 50 4.540 3.541 -3.176 440 HE21 GLN 50 HE21 GLN 50 6.675 3.313 -3.825 441 HE22 GLN 50 HE22 GLN 50 7.211 3.404 -5.529 442 H TYR 51 HN TYR 51 1.176 1.067 -3.006 443 HA TYR 51 HA TYR 51 0.432 -1.516 -4.087 444 HB2 TYR 51 HB2 TYR 51 -0.118 -0.679 -1.196 445 HB3 TYR 51 HB3 TYR 51 -0.745 -2.117 -1.978 446 HD1 TYR 51 HD2 TYR 51 2.302 -0.501 -0.621 447 HD2 TYR 51 HD1 TYR 51 0.641 -4.096 -2.286 448 HE1 TYR 51 HE2 TYR 51 4.348 -1.726 0.036 449 HE2 TYR 51 HE1 TYR 51 2.769 -5.284 -1.847 450 HH TYR 51 HH TYR 51 4.391 -4.871 0.368 451 H HIS 52 HN HIS 52 -1.976 -1.537 -4.194 452 HA HIS 52 HA HIS 52 -3.196 1.143 -4.352 453 HB2 HIS 52 HB2 HIS 52 -2.416 0.197 -6.572 454 HB3 HIS 52 HB3 HIS 52 -3.499 -1.168 -6.315 455 HD1 HIS 52 HD1 HIS 52 -4.483 2.582 -5.734 456 HD2 HIS 52 HD2 HIS 52 -5.057 -0.665 -8.380 457 HE1 HIS 52 HE1 HIS 52 -6.147 3.346 -7.506 458 H LEU 53 HN LEU 53 -4.799 1.111 -2.814 459 HA LEU 53 HA LEU 53 -6.223 -1.426 -2.246 460 HB2 LEU 53 HB2 LEU 53 -6.074 1.059 -0.512 461 HB3 LEU 53 HB3 LEU 53 -6.684 -0.515 -0.093 462 HG LEU 53 HG LEU 53 -4.762 -0.195 1.089 463 HD11 LEU 53 HD11 LEU 53 -4.850 -2.444 0.360 464 HD12 LEU 53 HD12 LEU 53 -3.160 -1.952 0.415 465 HD13 LEU 53 HD13 LEU 53 -3.993 -2.061 -1.157 466 HD21 LEU 53 HD21 LEU 53 -2.617 0.400 0.536 467 HD22 LEU 53 HD22 LEU 53 -3.676 1.600 -0.225 468 HD23 LEU 53 HD23 LEU 53 -2.917 0.332 -1.219 469 H THR 54 HN THR 54 -8.538 -1.265 -2.520 470 HA THR 54 HA THR 54 -9.563 1.252 -3.720 471 HB THR 54 HB THR 54 -10.590 -1.565 -3.664 472 HG1 THR 54 HG1 THR 54 -9.905 -0.140 -5.986 473 HG21 THR 54 HG21 THR 54 -11.829 0.873 -4.977 474 HG22 THR 54 HG22 THR 54 -12.537 -0.213 -3.760 475 HG23 THR 54 HG23 THR 54 -12.245 -0.811 -5.393 476 H LEU 55 HN LEU 55 -10.283 2.490 -2.218 477 HA LEU 55 HA LEU 55 -11.247 1.563 0.451 478 HB2 LEU 55 HB2 LEU 55 -10.614 4.228 -0.816 479 HB3 LEU 55 HB3 LEU 55 -11.806 4.219 0.455 480 HG LEU 55 HG LEU 55 -9.616 4.791 1.274 481 HD11 LEU 55 HD11 LEU 55 -10.219 2.180 2.506 482 HD12 LEU 55 HD12 LEU 55 -11.229 3.623 2.771 483 HD13 LEU 55 HD13 LEU 55 -9.519 3.628 3.247 484 HD21 LEU 55 HD21 LEU 55 -8.694 1.983 0.678 485 HD22 LEU 55 HD22 LEU 55 -7.764 3.334 1.402 486 HD23 LEU 55 HD23 LEU 55 -8.320 3.421 -0.288 487 H ARG 56 HN ARG 56 -13.457 2.105 1.188 488 HA ARG 56 HA ARG 56 -15.419 2.559 -1.030 489 HB2 ARG 56 HB2 ARG 56 -15.144 0.170 -0.556 490 HB3 ARG 56 HB3 ARG 56 -15.485 0.478 1.163 491 HG2 ARG 56 HG2 ARG 56 -17.731 1.022 0.726 492 HG3 ARG 56 HG3 ARG 56 -17.466 1.065 -1.030 493 HD2 ARG 56 HD2 ARG 56 -17.271 -1.251 -1.232 494 HD3 ARG 56 HD3 ARG 56 -16.916 -1.489 0.487 495 HE ARG 56 HE ARG 56 -19.539 -1.032 -0.768 496 HH11 ARG 56 HH11 ARG 56 -17.729 -1.485 2.347 497 HH12 ARG 56 HH12 ARG 56 -19.200 -1.384 3.263 498 HH21 ARG 56 HH21 ARG 56 -21.391 -0.969 0.581 499 HH22 ARG 56 HH22 ARG 56 -21.282 -1.391 2.249 500 H GLU 57 HN GLU 57 -16.557 4.307 -0.567 501 HA GLU 57 HA GLU 57 -17.049 5.223 2.238 502 HB2 GLU 57 HB2 GLU 57 -15.539 6.607 1.035 503 HB3 GLU 57 HB3 GLU 57 -16.524 6.606 -0.427 504 HG2 GLU 57 HG2 GLU 57 -17.812 7.733 2.049 505 HG3 GLU 57 HG3 GLU 57 -16.414 8.617 1.437 506 H GLY 58 HN GLY 58 -19.066 4.398 2.636 507 HA2 GLY 58 HA1 GLY 58 -21.313 4.571 2.802 508 HA3 GLY 58 HA2 GLY 58 -21.192 5.973 1.769 509 H SER 59 HN SER 59 -21.270 5.603 -0.529 510 HA SER 59 HA SER 59 -22.469 3.003 -1.414 511 HB2 SER 59 HB2 SER 59 -23.031 5.627 -2.757 512 HB3 SER 59 HB3 SER 59 -23.895 4.096 -2.935 513 HG SER 59 HG SER 59 -24.755 4.342 -0.901 514 H LYS 60 HN LYS 60 -19.753 5.110 -1.785 515 HA LYS 60 HA LYS 60 -19.338 4.456 -4.644 516 HB2 LYS 60 HB2 LYS 60 -19.293 6.729 -4.271 517 HB3 LYS 60 HB3 LYS 60 -18.567 6.617 -2.682 518 HG2 LYS 60 HG2 LYS 60 -16.379 6.419 -3.483 519 HG3 LYS 60 HG3 LYS 60 -16.883 6.070 -5.131 520 HD2 LYS 60 HD2 LYS 60 -17.698 8.246 -5.522 521 HD3 LYS 60 HD3 LYS 60 -17.736 8.613 -3.795 522 HE2 LYS 60 HE2 LYS 60 -15.265 8.536 -3.728 523 HE3 LYS 60 HE3 LYS 60 -15.221 8.295 -5.485 524 HZ1 LYS 60 HZ1 LYS 60 -14.951 10.639 -4.736 525 HZ2 LYS 60 HZ2 LYS 60 -16.479 10.610 -4.139 526 HZ3 LYS 60 HZ3 LYS 60 -16.233 10.454 -5.762 527 H GLU 61 HN GLU 61 -17.079 3.962 -5.278 528 HA GLU 61 HA GLU 61 -15.268 3.015 -3.209 529 HB2 GLU 61 HB2 GLU 61 -16.277 1.390 -5.470 530 HB3 GLU 61 HB3 GLU 61 -14.524 1.389 -5.276 531 HG2 GLU 61 HG2 GLU 61 -14.585 0.514 -3.108 532 HG3 GLU 61 HG3 GLU 61 -16.205 1.069 -2.817 533 H PHE 62 HN PHE 62 -13.071 3.382 -3.767 534 HA PHE 62 HA PHE 62 -12.393 4.692 -6.268 535 HB2 PHE 62 HB2 PHE 62 -11.387 6.705 -5.308 536 HB3 PHE 62 HB3 PHE 62 -13.129 6.683 -5.174 537 HD1 PHE 62 HD1 PHE 62 -9.949 6.499 -3.248 538 HD2 PHE 62 HD2 PHE 62 -14.251 6.493 -2.977 539 HE1 PHE 62 HE1 PHE 62 -9.826 6.915 -0.797 540 HE2 PHE 62 HE2 PHE 62 -14.133 7.087 -0.645 541 HZ PHE 62 HZ PHE 62 -11.885 7.115 0.537 542 H GLY 63 HN GLY 63 -10.017 4.873 -6.502 543 HA2 GLY 63 HA1 GLY 63 -8.611 2.785 -4.953 544 HA3 GLY 63 HA2 GLY 63 -8.100 3.548 -6.462 545 H VAL 64 HN VAL 64 -6.687 3.228 -3.781 546 HA VAL 64 HA VAL 64 -5.685 6.026 -3.824 547 HB VAL 64 HB VAL 64 -5.373 6.015 -1.477 548 HG11 VAL 64 HG11 VAL 64 -7.611 6.692 -2.170 549 HG12 VAL 64 HG12 VAL 64 -8.200 5.035 -1.966 550 HG13 VAL 64 HG13 VAL 64 -7.635 5.933 -0.570 551 HG21 VAL 64 HG21 VAL 64 -4.748 3.725 -1.022 552 HG22 VAL 64 HG22 VAL 64 -6.049 4.252 0.046 553 HG23 VAL 64 HG23 VAL 64 -6.415 3.198 -1.339 554 H PHE 65 HN PHE 65 -3.399 6.106 -2.829 555 HA PHE 65 HA PHE 65 -1.877 3.612 -3.358 556 HB2 PHE 65 HB2 PHE 65 -1.205 6.393 -4.386 557 HB3 PHE 65 HB3 PHE 65 -0.086 5.057 -4.397 558 HD1 PHE 65 HD2 PHE 65 -0.944 2.853 -5.631 559 HD2 PHE 65 HD1 PHE 65 -2.591 6.796 -6.234 560 HE1 PHE 65 HE2 PHE 65 -1.819 2.155 -7.867 561 HE2 PHE 65 HE1 PHE 65 -3.476 6.081 -8.442 562 HZ PHE 65 HZ PHE 65 -3.098 3.768 -9.253 563 H VAL 66 HN VAL 66 0.350 3.755 -2.368 564 HA VAL 66 HA VAL 66 0.449 5.466 0.049 565 HB VAL 66 HB VAL 66 0.966 2.460 0.149 566 HG11 VAL 66 HG11 VAL 66 2.189 3.470 1.875 567 HG12 VAL 66 HG12 VAL 66 1.014 4.753 2.124 568 HG13 VAL 66 HG13 VAL 66 0.653 3.122 2.690 569 HG21 VAL 66 HG21 VAL 66 -1.108 2.215 1.437 570 HG22 VAL 66 HG22 VAL 66 -1.517 3.899 1.125 571 HG23 VAL 66 HG23 VAL 66 -1.446 2.738 -0.209 572 H THR 67 HN THR 67 2.412 6.422 0.100 573 HA THR 67 HA THR 67 4.609 5.605 -1.679 574 HB THR 67 HB THR 67 4.249 7.812 0.380 575 HG1 THR 67 HG1 THR 67 4.045 9.075 -1.645 576 HG21 THR 67 HG21 THR 67 6.095 8.972 -0.600 577 HG22 THR 67 HG22 THR 67 6.241 7.767 -1.888 578 HG23 THR 67 HG23 THR 67 6.651 7.339 -0.217 579 H ILE 68 HN ILE 68 6.122 4.133 -0.885 580 HA ILE 68 HA ILE 68 6.747 4.174 2.016 581 HB ILE 68 HB ILE 68 6.239 1.699 0.314 582 HG12 ILE 68 HG12 ILE 68 4.705 2.892 2.668 583 HG13 ILE 68 HG13 ILE 68 4.146 2.653 1.007 584 HG21 ILE 68 HG21 ILE 68 6.825 0.440 2.406 585 HG22 ILE 68 HG22 ILE 68 8.174 1.465 1.955 586 HG23 ILE 68 HG23 ILE 68 7.090 1.980 3.268 587 HD11 ILE 68 HD11 ILE 68 4.341 0.171 1.346 588 HD12 ILE 68 HD12 ILE 68 4.641 0.498 3.075 589 HD13 ILE 68 HD13 ILE 68 3.124 0.991 2.333 590 H SER 69 HN SER 69 8.682 5.144 1.819 591 HA SER 69 HA SER 69 10.637 4.239 -0.212 592 HB2 SER 69 HB2 SER 69 10.697 6.809 1.387 593 HB3 SER 69 HB3 SER 69 11.532 6.398 -0.130 594 HG SER 69 HG SER 69 9.775 7.706 -0.604 595 H PHE 70 HN PHE 70 12.472 3.135 0.568 596 HA PHE 70 HA PHE 70 13.012 3.169 3.425 597 HB2 PHE 70 HB2 PHE 70 12.584 0.852 3.821 598 HB3 PHE 70 HB3 PHE 70 11.105 1.603 3.315 599 HD1 PHE 70 HD2 PHE 70 10.532 1.297 0.680 600 HD2 PHE 70 HD1 PHE 70 13.499 -1.044 2.736 601 HE1 PHE 70 HE2 PHE 70 10.497 -0.412 -1.135 602 HE2 PHE 70 HE1 PHE 70 13.279 -2.835 1.000 603 HZ PHE 70 HZ PHE 70 11.773 -2.514 -0.912 604 H ASP 71 HN ASP 71 14.782 1.375 3.818 605 HA ASP 71 HA ASP 71 16.742 1.716 1.588 606 HB2 ASP 71 HB2 ASP 71 17.028 2.676 3.943 607 HB3 ASP 71 HB3 ASP 71 17.301 1.006 4.478 608 HA PRO 72 HA PRO 72 16.562 -2.733 1.216 609 HB2 PRO 72 HB2 PRO 72 18.620 -3.264 -0.485 610 HB3 PRO 72 HB3 PRO 72 17.129 -2.413 -0.990 611 HG2 PRO 72 HG2 PRO 72 19.796 -1.184 -0.227 612 HG3 PRO 72 HG3 PRO 72 18.773 -0.806 -1.642 613 HD2 PRO 72 HD2 PRO 72 18.689 0.706 0.615 614 HD3 PRO 72 HD3 PRO 72 17.220 0.363 -0.338 615 H TYR 73 HN TYR 73 19.327 -1.119 2.704 616 HA TYR 73 HA TYR 73 20.944 -3.416 3.123 617 HB2 TYR 73 HB2 TYR 73 20.740 -0.773 4.620 618 HB3 TYR 73 HB3 TYR 73 21.857 -2.035 5.057 619 HD1 TYR 73 HD1 TYR 73 21.047 -0.811 1.543 620 HD2 TYR 73 HD2 TYR 73 23.942 -1.007 4.742 621 HE1 TYR 73 HE1 TYR 73 22.775 0.010 0.019 622 HE2 TYR 73 HE2 TYR 73 25.646 -0.058 3.249 623 HH TYR 73 HH TYR 73 25.214 0.074 -0.196 624 H SER 74 HN SER 74 18.482 -1.811 5.153 625 HA SER 74 HA SER 74 17.844 -4.343 6.509 626 HB2 SER 74 HB2 SER 74 19.898 -3.272 7.616 627 HB3 SER 74 HB3 SER 74 18.823 -1.983 8.170 628 HG SER 74 HG SER 74 19.253 -3.758 9.598 629 H GLN 75 HN GLN 75 16.368 -2.338 4.772 630 HA GLN 75 HA GLN 75 14.314 -1.319 4.724 631 HB2 GLN 75 HB2 GLN 75 13.905 -3.539 6.773 632 HB3 GLN 75 HB3 GLN 75 12.609 -2.535 6.191 633 HG2 GLN 75 HG2 GLN 75 12.518 -4.512 4.920 634 HG3 GLN 75 HG3 GLN 75 13.081 -3.235 3.849 635 HE21 GLN 75 HE21 GLN 75 13.868 -4.882 2.335 636 HE22 GLN 75 HE22 GLN 75 15.280 -5.810 2.770 637 H LYS 76 HN LYS 76 16.011 0.406 5.840 638 HA LYS 76 HA LYS 76 14.801 1.409 8.316 639 HB2 LYS 76 HB2 LYS 76 17.238 2.101 6.746 640 HB3 LYS 76 HB3 LYS 76 16.242 3.497 7.136 641 HG2 LYS 76 HG2 LYS 76 16.225 2.237 9.581 642 HG3 LYS 76 HG3 LYS 76 17.795 1.707 8.969 643 HD2 LYS 76 HD2 LYS 76 18.488 4.031 8.698 644 HD3 LYS 76 HD3 LYS 76 16.845 4.608 9.053 645 HE2 LYS 76 HE2 LYS 76 16.944 3.886 11.333 646 HE3 LYS 76 HE3 LYS 76 18.423 2.948 11.056 647 HZ1 LYS 76 HZ1 LYS 76 18.362 5.881 10.776 648 HZ2 LYS 76 HZ2 LYS 76 19.662 4.896 10.834 649 HZ3 LYS 76 HZ3 LYS 76 18.774 5.118 12.186 650 H VAL 77 HN VAL 77 12.947 2.379 8.192 651 HA VAL 77 HA VAL 77 11.706 3.046 5.654 652 HB VAL 77 HB VAL 77 10.740 4.025 8.332 653 HG11 VAL 77 HG11 VAL 77 9.652 4.870 6.310 654 HG12 VAL 77 HG12 VAL 77 9.312 3.209 5.781 655 HG13 VAL 77 HG13 VAL 77 8.559 3.857 7.253 656 HG21 VAL 77 HG21 VAL 77 11.129 1.687 8.787 657 HG22 VAL 77 HG22 VAL 77 9.391 1.974 8.610 658 HG23 VAL 77 HG23 VAL 77 10.306 1.242 7.276 659 H ASN 78 HN ASN 78 12.493 4.724 4.553 660 HA ASN 78 HA ASN 78 13.871 6.987 5.788 661 HB2 ASN 78 HB2 ASN 78 12.889 6.502 2.938 662 HB3 ASN 78 HB3 ASN 78 13.880 7.848 3.437 663 HD21 ASN 78 HD21 ASN 78 14.301 5.189 1.677 664 HD22 ASN 78 HD22 ASN 78 15.681 4.456 2.460 665 H LYS 79 HN LYS 79 10.799 6.443 3.940 666 HA LYS 79 HA LYS 79 9.391 8.444 5.539 667 HB2 LYS 79 HB2 LYS 79 10.553 9.934 4.099 668 HB3 LYS 79 HB3 LYS 79 10.375 8.852 2.716 669 HG2 LYS 79 HG2 LYS 79 9.097 10.683 2.254 670 HG3 LYS 79 HG3 LYS 79 7.981 9.381 2.601 671 HD2 LYS 79 HD2 LYS 79 7.001 11.245 3.608 672 HD3 LYS 79 HD3 LYS 79 7.768 10.445 4.986 673 HE2 LYS 79 HE2 LYS 79 9.589 12.060 4.996 674 HE3 LYS 79 HE3 LYS 79 9.112 12.673 3.407 675 HZ1 LYS 79 HZ1 LYS 79 8.365 14.198 5.051 676 HZ2 LYS 79 HZ2 LYS 79 7.567 13.037 5.906 677 HZ3 LYS 79 HZ3 LYS 79 7.045 13.485 4.426 678 H ILE 80 HN ILE 80 7.283 8.270 5.310 679 HA ILE 80 HA ILE 80 6.065 6.439 3.364 680 HB ILE 80 HB ILE 80 5.464 6.502 6.348 681 HG12 ILE 80 HG12 ILE 80 6.139 4.220 4.435 682 HG13 ILE 80 HG13 ILE 80 7.264 4.976 5.550 683 HG21 ILE 80 HG21 ILE 80 3.303 6.598 5.130 684 HG22 ILE 80 HG22 ILE 80 3.795 5.208 4.142 685 HG23 ILE 80 HG23 ILE 80 3.523 5.041 5.884 686 HD11 ILE 80 HD11 ILE 80 4.836 3.320 6.332 687 HD12 ILE 80 HD12 ILE 80 6.531 2.900 6.523 688 HD13 ILE 80 HD13 ILE 80 5.845 4.230 7.476 689 H ALA 81 HN ALA 81 4.161 7.335 2.569 690 HA ALA 81 HA ALA 81 2.931 9.689 3.677 691 HB1 ALA 81 HB1 ALA 81 4.617 10.877 2.420 692 HB2 ALA 81 HB2 ALA 81 4.420 9.833 1.001 693 HB3 ALA 81 HB3 ALA 81 3.132 10.945 1.459 694 H ILE 82 HN ILE 82 0.960 10.189 2.140 695 HA ILE 82 HA ILE 82 -0.151 7.621 1.091 696 HB ILE 82 HB ILE 82 -1.143 9.505 3.232 697 HG12 ILE 82 HG12 ILE 82 0.199 7.428 3.801 698 HG13 ILE 82 HG13 ILE 82 -1.347 7.570 4.591 699 HG21 ILE 82 HG21 ILE 82 -2.885 7.708 1.541 700 HG22 ILE 82 HG22 ILE 82 -3.366 8.253 3.144 701 HG23 ILE 82 HG23 ILE 82 -3.086 9.433 1.866 702 HD11 ILE 82 HD11 ILE 82 -2.308 5.807 3.390 703 HD12 ILE 82 HD12 ILE 82 -1.129 5.936 2.059 704 HD13 ILE 82 HD13 ILE 82 -0.640 5.271 3.615 705 H LEU 83 HN LEU 83 -1.781 7.885 -0.580 706 HA LEU 83 HA LEU 83 -2.149 10.582 -1.704 707 HB2 LEU 83 HB2 LEU 83 -0.129 9.334 -2.619 708 HB3 LEU 83 HB3 LEU 83 -1.195 8.070 -3.128 709 HG LEU 83 HG LEU 83 -0.431 9.458 -4.908 710 HD11 LEU 83 HD11 LEU 83 -2.864 8.534 -4.911 711 HD12 LEU 83 HD12 LEU 83 -2.343 9.675 -6.164 712 HD13 LEU 83 HD13 LEU 83 -3.318 10.252 -4.820 713 HD21 LEU 83 HD21 LEU 83 -1.868 11.813 -3.642 714 HD22 LEU 83 HD22 LEU 83 -0.966 11.796 -5.172 715 HD23 LEU 83 HD23 LEU 83 -0.100 11.556 -3.641 716 H GLU 84 HN GLU 84 -4.161 10.675 -2.739 717 HA GLU 84 HA GLU 84 -5.796 8.206 -2.930 718 HB2 GLU 84 HB2 GLU 84 -6.556 9.103 -0.925 719 HB3 GLU 84 HB3 GLU 84 -6.604 10.741 -1.516 720 HG2 GLU 84 HG2 GLU 84 -8.374 8.749 -2.938 721 HG3 GLU 84 HG3 GLU 84 -8.728 9.027 -1.255 722 H GLU 85 HN GLU 85 -7.127 8.133 -4.611 723 HA GLU 85 HA GLU 85 -6.479 9.844 -6.872 724 HB2 GLU 85 HB2 GLU 85 -6.724 7.391 -7.057 725 HB3 GLU 85 HB3 GLU 85 -8.440 7.515 -6.603 726 HG2 GLU 85 HG2 GLU 85 -9.074 8.485 -8.604 727 HG3 GLU 85 HG3 GLU 85 -7.456 9.152 -8.937 728 H TYR 86 HN TYR 86 -7.636 11.602 -7.392 729 HA TYR 86 HA TYR 86 -10.471 11.906 -6.676 730 HB2 TYR 86 HB2 TYR 86 -9.985 14.379 -6.972 731 HB3 TYR 86 HB3 TYR 86 -9.386 13.642 -5.500 732 HD1 TYR 86 HD1 TYR 86 -8.384 15.039 -8.813 733 HD2 TYR 86 HD2 TYR 86 -7.015 13.378 -5.072 734 HE1 TYR 86 HE1 TYR 86 -6.104 15.781 -9.347 735 HE2 TYR 86 HE2 TYR 86 -4.711 14.103 -5.586 736 HH TYR 86 HH TYR 86 -3.865 16.064 -8.455 737 H GLN 87 HN GLN 87 -11.367 13.462 -8.551 738 HA GLN 87 HA GLN 87 -10.344 12.451 -11.157 739 HB2 GLN 87 HB2 GLN 87 -13.270 12.323 -10.263 740 HB3 GLN 87 HB3 GLN 87 -12.588 11.775 -11.794 741 HG2 GLN 87 HG2 GLN 87 -12.855 9.788 -10.754 742 HG3 GLN 87 HG3 GLN 87 -11.176 10.114 -10.311 743 HE21 GLN 87 HE21 GLN 87 -10.812 9.527 -8.117 744 HE22 GLN 87 HE22 GLN 87 -12.025 9.705 -6.872 Start of MODEL 22 1 H1 GLY 1 HN GLY 1 -14.923 -17.485 5.506 2 HA2 GLY 1 HA1 GLY 1 -14.845 -14.578 6.089 3 HA3 GLY 1 HA2 GLY 1 -14.423 -15.864 7.239 4 H GLU 2 HN GLU 2 -12.773 -13.534 5.916 5 HA GLU 2 HA GLU 2 -10.565 -15.140 4.830 6 HB2 GLU 2 HB2 GLU 2 -10.494 -13.800 2.789 7 HB3 GLU 2 HB3 GLU 2 -12.018 -14.658 2.937 8 HG2 GLU 2 HG2 GLU 2 -12.767 -12.281 4.064 9 HG3 GLU 2 HG3 GLU 2 -11.448 -11.702 3.055 10 H GLU 3 HN GLU 3 -8.609 -14.123 4.925 11 HA GLU 3 HA GLU 3 -8.199 -11.752 6.638 12 HB2 GLU 3 HB2 GLU 3 -6.451 -13.667 5.026 13 HB3 GLU 3 HB3 GLU 3 -5.782 -12.226 5.769 14 HG2 GLU 3 HG2 GLU 3 -7.213 -14.436 7.297 15 HG3 GLU 3 HG3 GLU 3 -5.470 -14.365 7.046 16 H THR 4 HN THR 4 -7.525 -12.823 3.280 17 HA THR 4 HA THR 4 -7.463 -10.068 2.278 18 HB THR 4 HB THR 4 -5.109 -10.988 1.301 19 HG1 THR 4 HG1 THR 4 -4.016 -11.951 3.109 20 HG21 THR 4 HG21 THR 4 -5.454 -9.823 4.089 21 HG22 THR 4 HG22 THR 4 -5.323 -8.925 2.556 22 HG23 THR 4 HG23 THR 4 -3.952 -9.852 3.166 23 HA PRO 5 HA PRO 5 -8.993 -12.081 -1.324 24 HB2 PRO 5 HB2 PRO 5 -8.380 -10.397 -3.322 25 HB3 PRO 5 HB3 PRO 5 -9.377 -9.857 -1.941 26 HG2 PRO 5 HG2 PRO 5 -6.367 -9.472 -2.291 27 HG3 PRO 5 HG3 PRO 5 -7.606 -8.219 -1.933 28 HD2 PRO 5 HD2 PRO 5 -6.163 -9.448 0.025 29 HD3 PRO 5 HD3 PRO 5 -7.883 -9.006 0.273 30 H LEU 6 HN LEU 6 -7.487 -13.988 -0.987 31 HA LEU 6 HA LEU 6 -5.727 -14.428 -3.271 32 HB2 LEU 6 HB2 LEU 6 -4.004 -15.322 -1.597 33 HB3 LEU 6 HB3 LEU 6 -4.047 -13.625 -2.030 34 HG LEU 6 HG LEU 6 -5.225 -13.131 0.140 35 HD11 LEU 6 HD11 LEU 6 -4.499 -16.012 0.821 36 HD12 LEU 6 HD12 LEU 6 -6.143 -15.336 0.701 37 HD13 LEU 6 HD13 LEU 6 -5.061 -14.778 1.968 38 HD21 LEU 6 HD21 LEU 6 -2.459 -14.366 0.163 39 HD22 LEU 6 HD22 LEU 6 -3.128 -13.381 1.472 40 HD23 LEU 6 HD23 LEU 6 -2.932 -12.659 -0.128 41 H VAL 7 HN VAL 7 -7.835 -15.513 -3.571 42 HA VAL 7 HA VAL 7 -8.208 -18.008 -2.111 43 HB VAL 7 HB VAL 7 -9.582 -17.373 -4.735 44 HG11 VAL 7 HG11 VAL 7 -10.000 -19.582 -3.702 45 HG12 VAL 7 HG12 VAL 7 -10.398 -18.809 -2.156 46 HG13 VAL 7 HG13 VAL 7 -11.436 -18.585 -3.567 47 HG21 VAL 7 HG21 VAL 7 -10.453 -16.266 -2.031 48 HG22 VAL 7 HG22 VAL 7 -9.895 -15.293 -3.418 49 HG23 VAL 7 HG23 VAL 7 -11.392 -16.216 -3.539 50 H THR 8 HN THR 8 -5.578 -17.651 -3.256 51 HA THR 8 HA THR 8 -5.403 -20.328 -4.113 52 HB THR 8 HB THR 8 -3.886 -18.404 -5.928 53 HG1 THR 8 HG1 THR 8 -6.550 -19.023 -6.036 54 HG21 THR 8 HG21 THR 8 -3.232 -20.830 -5.873 55 HG22 THR 8 HG22 THR 8 -3.834 -20.311 -7.455 56 HG23 THR 8 HG23 THR 8 -4.885 -21.255 -6.370 57 H ALA 9 HN ALA 9 -3.154 -21.053 -3.629 58 HA ALA 9 HA ALA 9 -1.877 -19.822 -1.494 59 HB1 ALA 9 HB1 ALA 9 0.073 -21.219 -2.054 60 HB2 ALA 9 HB2 ALA 9 -1.429 -22.149 -2.212 61 HB3 ALA 9 HB3 ALA 9 -0.591 -21.545 -3.666 62 H ARG 10 HN ARG 10 -0.654 -18.063 -1.282 63 HA ARG 10 HA ARG 10 0.768 -16.780 -3.526 64 HB2 ARG 10 HB2 ARG 10 -1.442 -15.547 -1.805 65 HB3 ARG 10 HB3 ARG 10 -0.248 -14.551 -2.628 66 HG2 ARG 10 HG2 ARG 10 -2.063 -16.477 -4.112 67 HG3 ARG 10 HG3 ARG 10 -2.439 -14.780 -3.815 68 HD2 ARG 10 HD2 ARG 10 -0.394 -14.103 -5.027 69 HD3 ARG 10 HD3 ARG 10 0.016 -15.801 -5.317 70 HE ARG 10 HE ARG 10 -2.299 -14.285 -6.438 71 HH11 ARG 10 HH11 ARG 10 -0.336 -17.293 -6.550 72 HH12 ARG 10 HH12 ARG 10 -1.005 -17.781 -8.058 73 HH21 ARG 10 HH21 ARG 10 -3.271 -15.007 -8.179 74 HH22 ARG 10 HH22 ARG 10 -2.848 -16.481 -9.025 75 H HIS 11 HN HIS 11 1.977 -14.744 -2.410 76 HA HIS 11 HA HIS 11 2.255 -15.097 0.467 77 HB2 HIS 11 HB2 HIS 11 4.257 -16.214 -1.013 78 HB3 HIS 11 HB3 HIS 11 4.836 -14.558 -0.932 79 HD1 HIS 11 HD1 HIS 11 4.594 -17.697 1.146 80 HD2 HIS 11 HD2 HIS 11 5.120 -13.533 1.701 81 HE1 HIS 11 HE1 HIS 11 5.541 -17.379 3.476 82 H MET 12 HN MET 12 2.295 -13.135 1.453 83 HA MET 12 HA MET 12 2.126 -10.711 -0.175 84 HB2 MET 12 HB2 MET 12 0.850 -11.681 2.166 85 HB3 MET 12 HB3 MET 12 1.863 -10.373 2.724 86 HG2 MET 12 HG2 MET 12 0.692 -8.831 1.374 87 HG3 MET 12 HG3 MET 12 0.152 -10.068 0.227 88 HE1 MET 12 HE1 MET 12 -2.346 -8.305 0.912 89 HE2 MET 12 HE2 MET 12 -2.602 -8.131 2.679 90 HE3 MET 12 HE3 MET 12 -1.063 -7.674 1.975 91 H SER 13 HN SER 13 3.290 -8.902 1.830 92 HA SER 13 HA SER 13 6.144 -9.582 1.663 93 HB2 SER 13 HB2 SER 13 4.716 -7.936 -0.298 94 HB3 SER 13 HB3 SER 13 5.845 -6.943 0.616 95 HG SER 13 HG SER 13 6.516 -9.399 -0.684 96 H LYS 14 HN LYS 14 7.416 -7.961 2.757 97 HA LYS 14 HA LYS 14 6.628 -7.581 5.371 98 HB2 LYS 14 HB2 LYS 14 8.992 -7.507 4.524 99 HB3 LYS 14 HB3 LYS 14 8.720 -5.899 3.877 100 HG2 LYS 14 HG2 LYS 14 9.878 -5.675 5.936 101 HG3 LYS 14 HG3 LYS 14 8.248 -5.051 6.170 102 HD2 LYS 14 HD2 LYS 14 7.603 -7.193 7.304 103 HD3 LYS 14 HD3 LYS 14 9.194 -7.862 6.928 104 HE2 LYS 14 HE2 LYS 14 10.167 -5.900 8.279 105 HE3 LYS 14 HE3 LYS 14 8.525 -5.592 8.837 106 HZ1 LYS 14 HZ1 LYS 14 9.940 -8.176 9.175 107 HZ2 LYS 14 HZ2 LYS 14 8.472 -7.781 9.828 108 HZ3 LYS 14 HZ3 LYS 14 9.817 -7.006 10.322 109 H TRP 15 HN TRP 15 6.547 -5.163 2.834 110 HA TRP 15 HA TRP 15 5.623 -3.056 4.547 111 HB2 TRP 15 HB2 TRP 15 5.881 -3.173 1.525 112 HB3 TRP 15 HB3 TRP 15 5.821 -1.723 2.526 113 HD1 TRP 15 HD1 TRP 15 8.187 -4.216 1.091 114 HE1 TRP 15 HE1 TRP 15 10.589 -3.837 1.933 115 HE3 TRP 15 HE3 TRP 15 7.212 -0.944 4.897 116 HZ2 TRP 15 HZ2 TRP 15 11.824 -2.655 4.231 117 HZ3 TRP 15 HZ3 TRP 15 8.998 -0.313 6.485 118 HH2 TRP 15 HH2 TRP 15 11.326 -1.258 6.176 119 H GLU 16 HN GLU 16 3.873 -5.602 3.210 120 HA GLU 16 HA GLU 16 1.756 -4.320 1.897 121 HB2 GLU 16 HB2 GLU 16 0.770 -6.495 1.884 122 HB3 GLU 16 HB3 GLU 16 2.462 -6.717 1.798 123 HG2 GLU 16 HG2 GLU 16 2.097 -8.287 3.337 124 HG3 GLU 16 HG3 GLU 16 2.245 -6.982 4.459 125 H GLU 17 HN GLU 17 2.013 -5.399 5.262 126 HA GLU 17 HA GLU 17 -0.559 -4.463 6.032 127 HB2 GLU 17 HB2 GLU 17 1.883 -4.878 7.827 128 HB3 GLU 17 HB3 GLU 17 0.186 -4.829 8.321 129 HG2 GLU 17 HG2 GLU 17 -0.196 -6.856 6.845 130 HG3 GLU 17 HG3 GLU 17 1.569 -6.963 6.684 131 H ILE 18 HN ILE 18 2.661 -3.000 6.131 132 HA ILE 18 HA ILE 18 2.011 -0.693 7.691 133 HB ILE 18 HB ILE 18 4.145 -1.168 5.565 134 HG12 ILE 18 HG12 ILE 18 4.404 -1.219 8.610 135 HG13 ILE 18 HG13 ILE 18 4.147 -2.680 7.666 136 HG21 ILE 18 HG21 ILE 18 5.348 0.752 6.632 137 HG22 ILE 18 HG22 ILE 18 3.844 1.232 5.876 138 HG23 ILE 18 HG23 ILE 18 3.916 1.058 7.639 139 HD11 ILE 18 HD11 ILE 18 6.591 -0.889 7.446 140 HD12 ILE 18 HD12 ILE 18 6.489 -2.480 8.205 141 HD13 ILE 18 HD13 ILE 18 6.259 -2.345 6.472 142 H ALA 19 HN ALA 19 1.833 -1.404 4.174 143 HA ALA 19 HA ALA 19 0.822 1.142 3.424 144 HB1 ALA 19 HB1 ALA 19 0.411 -1.552 2.063 145 HB2 ALA 19 HB2 ALA 19 0.117 0.041 1.348 146 HB3 ALA 19 HB3 ALA 19 1.763 -0.434 1.804 147 H VAL 20 HN VAL 20 -1.064 -1.985 3.937 148 HA VAL 20 HA VAL 20 -3.540 -0.768 3.573 149 HB VAL 20 HB VAL 20 -2.751 -3.174 5.266 150 HG11 VAL 20 HG11 VAL 20 -5.102 -3.957 4.968 151 HG12 VAL 20 HG12 VAL 20 -5.044 -2.482 5.944 152 HG13 VAL 20 HG13 VAL 20 -5.521 -2.394 4.244 153 HG21 VAL 20 HG21 VAL 20 -3.963 -3.073 2.472 154 HG22 VAL 20 HG22 VAL 20 -2.231 -3.187 2.760 155 HG23 VAL 20 HG23 VAL 20 -3.276 -4.480 3.334 156 H LYS 21 HN LYS 21 -1.702 -1.117 6.645 157 HA LYS 21 HA LYS 21 -3.751 -0.247 8.390 158 HB2 LYS 21 HB2 LYS 21 -0.716 -0.176 8.630 159 HB3 LYS 21 HB3 LYS 21 -1.798 0.304 9.940 160 HG2 LYS 21 HG2 LYS 21 -2.760 -1.871 10.123 161 HG3 LYS 21 HG3 LYS 21 -2.043 -2.419 8.622 162 HD2 LYS 21 HD2 LYS 21 0.208 -2.271 9.646 163 HD3 LYS 21 HD3 LYS 21 -0.519 -1.809 11.194 164 HE2 LYS 21 HE2 LYS 21 -1.577 -4.275 9.811 165 HE3 LYS 21 HE3 LYS 21 0.053 -4.385 10.472 166 HZ1 LYS 21 HZ1 LYS 21 -2.218 -3.532 12.139 167 HZ2 LYS 21 HZ2 LYS 21 -0.748 -3.990 12.638 168 HZ3 LYS 21 HZ3 LYS 21 -1.738 -5.114 11.990 169 H GLU 22 HN GLU 22 -1.127 1.734 6.789 170 HA GLU 22 HA GLU 22 -2.145 4.158 7.949 171 HB2 GLU 22 HB2 GLU 22 -0.441 3.754 5.492 172 HB3 GLU 22 HB3 GLU 22 -0.938 5.324 6.170 173 HG2 GLU 22 HG2 GLU 22 0.116 3.838 8.322 174 HG3 GLU 22 HG3 GLU 22 1.256 3.618 7.016 175 H ALA 23 HN ALA 23 -2.818 2.502 4.823 176 HA ALA 23 HA ALA 23 -4.571 4.599 3.909 177 HB1 ALA 23 HB1 ALA 23 -3.430 3.314 2.296 178 HB2 ALA 23 HB2 ALA 23 -4.003 1.781 2.978 179 HB3 ALA 23 HB3 ALA 23 -5.141 2.884 2.145 180 H LYS 24 HN LYS 24 -5.231 2.072 6.234 181 HA LYS 24 HA LYS 24 -8.168 2.528 5.866 182 HB2 LYS 24 HB2 LYS 24 -8.652 0.783 7.142 183 HB3 LYS 24 HB3 LYS 24 -7.188 0.237 6.346 184 HG2 LYS 24 HG2 LYS 24 -5.937 0.945 8.437 185 HG3 LYS 24 HG3 LYS 24 -7.510 1.234 9.176 186 HD2 LYS 24 HD2 LYS 24 -6.753 -1.389 7.868 187 HD3 LYS 24 HD3 LYS 24 -6.252 -1.063 9.538 188 HE2 LYS 24 HE2 LYS 24 -9.135 -1.124 8.552 189 HE3 LYS 24 HE3 LYS 24 -8.273 -2.509 9.198 190 HZ1 LYS 24 HZ1 LYS 24 -7.981 -0.688 11.174 191 HZ2 LYS 24 HZ2 LYS 24 -9.116 -1.872 11.103 192 HZ3 LYS 24 HZ3 LYS 24 -9.502 -0.363 10.594 193 H LYS 25 HN LYS 25 -5.480 3.243 8.166 194 HA LYS 25 HA LYS 25 -7.321 4.309 10.113 195 HB2 LYS 25 HB2 LYS 25 -5.383 5.060 11.340 196 HB3 LYS 25 HB3 LYS 25 -5.167 3.411 10.760 197 HG2 LYS 25 HG2 LYS 25 -3.125 4.130 10.143 198 HG3 LYS 25 HG3 LYS 25 -3.978 4.790 8.774 199 HD2 LYS 25 HD2 LYS 25 -2.804 6.623 9.329 200 HD3 LYS 25 HD3 LYS 25 -4.222 6.952 10.338 201 HE2 LYS 25 HE2 LYS 25 -3.085 5.958 12.289 202 HE3 LYS 25 HE3 LYS 25 -1.750 5.421 11.262 203 HZ1 LYS 25 HZ1 LYS 25 -1.355 7.802 10.777 204 HZ2 LYS 25 HZ2 LYS 25 -1.005 7.325 12.294 205 HZ3 LYS 25 HZ3 LYS 25 -2.371 8.199 12.037 206 H ARG 26 HN ARG 26 -5.378 5.848 7.573 207 HA ARG 26 HA ARG 26 -5.979 8.523 8.405 208 HB2 ARG 26 HB2 ARG 26 -3.986 7.797 7.119 209 HB3 ARG 26 HB3 ARG 26 -5.002 7.540 5.689 210 HG2 ARG 26 HG2 ARG 26 -5.421 9.848 5.433 211 HG3 ARG 26 HG3 ARG 26 -5.049 10.201 7.130 212 HD2 ARG 26 HD2 ARG 26 -2.666 9.741 6.729 213 HD3 ARG 26 HD3 ARG 26 -3.005 9.345 5.047 214 HE ARG 26 HE ARG 26 -2.750 11.954 6.254 215 HH11 ARG 26 HH11 ARG 26 -4.502 10.387 3.526 216 HH12 ARG 26 HH12 ARG 26 -4.596 11.829 2.624 217 HH21 ARG 26 HH21 ARG 26 -2.971 13.789 5.104 218 HH22 ARG 26 HH22 ARG 26 -3.679 13.825 3.505 219 H TYR 27 HN TYR 27 -8.289 6.453 7.449 220 HA TYR 27 HA TYR 27 -9.763 8.356 5.742 221 HB2 TYR 27 HB2 TYR 27 -9.123 5.486 5.036 222 HB3 TYR 27 HB3 TYR 27 -10.451 6.432 4.325 223 HD1 TYR 27 HD1 TYR 27 -10.007 8.624 3.188 224 HD2 TYR 27 HD2 TYR 27 -6.820 5.935 4.288 225 HE1 TYR 27 HE1 TYR 27 -8.477 9.950 1.925 226 HE2 TYR 27 HE2 TYR 27 -5.252 7.215 2.857 227 HH TYR 27 HH TYR 27 -6.331 10.187 1.142 228 HA PRO 28 HA PRO 28 -12.285 6.712 9.172 229 HB2 PRO 28 HB2 PRO 28 -13.226 9.107 10.077 230 HB3 PRO 28 HB3 PRO 28 -11.602 8.482 10.484 231 HG2 PRO 28 HG2 PRO 28 -12.322 10.620 8.484 232 HG3 PRO 28 HG3 PRO 28 -10.867 10.474 9.522 233 HD2 PRO 28 HD2 PRO 28 -10.957 9.780 6.859 234 HD3 PRO 28 HD3 PRO 28 -9.738 9.256 8.069 235 H LEU 29 HN LEU 29 -13.071 9.159 6.670 236 HA LEU 29 HA LEU 29 -15.898 8.843 6.779 237 HB2 LEU 29 HB2 LEU 29 -13.968 9.840 4.647 238 HB3 LEU 29 HB3 LEU 29 -15.657 9.584 4.278 239 HG LEU 29 HG LEU 29 -16.325 11.084 6.163 240 HD11 LEU 29 HD11 LEU 29 -14.537 12.649 7.005 241 HD12 LEU 29 HD12 LEU 29 -13.321 11.578 6.317 242 HD13 LEU 29 HD13 LEU 29 -14.413 11.013 7.612 243 HD21 LEU 29 HD21 LEU 29 -15.817 13.158 5.012 244 HD22 LEU 29 HD22 LEU 29 -16.153 11.901 3.822 245 HD23 LEU 29 HD23 LEU 29 -14.472 12.383 4.148 246 H ALA 30 HN ALA 30 -13.367 6.983 5.173 247 HA ALA 30 HA ALA 30 -15.335 5.298 3.720 248 HB1 ALA 30 HB1 ALA 30 -12.396 5.796 3.180 249 HB2 ALA 30 HB2 ALA 30 -13.537 5.015 2.092 250 HB3 ALA 30 HB3 ALA 30 -13.684 6.746 2.425 251 H GLN 31 HN GLN 31 -13.862 3.187 3.106 252 HA GLN 31 HA GLN 31 -12.467 2.093 5.484 253 HB2 GLN 31 HB2 GLN 31 -14.826 0.652 4.217 254 HB3 GLN 31 HB3 GLN 31 -13.809 0.042 5.520 255 HG2 GLN 31 HG2 GLN 31 -14.618 1.831 7.033 256 HG3 GLN 31 HG3 GLN 31 -15.683 2.437 5.743 257 HE21 GLN 31 HE21 GLN 31 -16.830 0.503 4.638 258 HE22 GLN 31 HE22 GLN 31 -17.747 -0.610 5.661 259 H VAL 32 HN VAL 32 -11.275 0.079 4.946 260 HA VAL 32 HA VAL 32 -10.576 -0.067 2.054 261 HB VAL 32 HB VAL 32 -9.253 -1.059 4.607 262 HG11 VAL 32 HG11 VAL 32 -8.709 -2.622 2.754 263 HG12 VAL 32 HG12 VAL 32 -8.241 -1.232 1.734 264 HG13 VAL 32 HG13 VAL 32 -7.325 -1.661 3.188 265 HG21 VAL 32 HG21 VAL 32 -8.440 1.143 2.738 266 HG22 VAL 32 HG22 VAL 32 -9.073 1.315 4.386 267 HG23 VAL 32 HG23 VAL 32 -7.502 0.549 4.114 268 H LEU 33 HN LEU 33 -10.769 -2.038 0.914 269 HA LEU 33 HA LEU 33 -11.757 -4.430 2.326 270 HB2 LEU 33 HB2 LEU 33 -13.438 -4.581 0.290 271 HB3 LEU 33 HB3 LEU 33 -13.879 -3.816 1.797 272 HG LEU 33 HG LEU 33 -12.683 -2.049 -0.310 273 HD11 LEU 33 HD11 LEU 33 -15.353 -3.412 -0.642 274 HD12 LEU 33 HD12 LEU 33 -14.051 -3.123 -1.837 275 HD13 LEU 33 HD13 LEU 33 -15.077 -1.789 -1.280 276 HD21 LEU 33 HD21 LEU 33 -15.244 -1.476 1.172 277 HD22 LEU 33 HD22 LEU 33 -13.925 -0.385 0.682 278 HD23 LEU 33 HD23 LEU 33 -13.743 -1.428 2.086 279 H PHE 34 HN PHE 34 -9.230 -3.415 0.761 280 HA PHE 34 HA PHE 34 -8.976 -5.755 -1.000 281 HB2 PHE 34 HB2 PHE 34 -9.474 -3.009 -1.879 282 HB3 PHE 34 HB3 PHE 34 -7.882 -3.510 -2.389 283 HD1 PHE 34 HD2 PHE 34 -7.619 -5.686 -3.810 284 HD2 PHE 34 HD1 PHE 34 -11.444 -3.832 -2.919 285 HE1 PHE 34 HE2 PHE 34 -8.629 -6.785 -5.754 286 HE2 PHE 34 HE1 PHE 34 -12.426 -4.932 -4.894 287 HZ PHE 34 HZ PHE 34 -10.993 -6.395 -6.331 288 H LYS 35 HN LYS 35 -6.786 -6.398 -1.209 289 HA LYS 35 HA LYS 35 -4.666 -4.711 -0.047 290 HB2 LYS 35 HB2 LYS 35 -5.184 -7.552 0.871 291 HB3 LYS 35 HB3 LYS 35 -3.782 -6.550 1.226 292 HG2 LYS 35 HG2 LYS 35 -4.936 -6.370 3.158 293 HG3 LYS 35 HG3 LYS 35 -5.403 -4.897 2.328 294 HD2 LYS 35 HD2 LYS 35 -7.545 -5.388 2.619 295 HD3 LYS 35 HD3 LYS 35 -7.386 -6.885 1.680 296 HE2 LYS 35 HE2 LYS 35 -6.728 -8.130 3.691 297 HE3 LYS 35 HE3 LYS 35 -6.628 -6.638 4.617 298 HZ1 LYS 35 HZ1 LYS 35 -8.920 -6.402 4.531 299 HZ2 LYS 35 HZ2 LYS 35 -8.598 -7.920 5.039 300 HZ3 LYS 35 HZ3 LYS 35 -9.150 -7.686 3.497 301 H GLN 36 HN GLN 36 -3.854 -4.534 -2.319 302 HA GLN 36 HA GLN 36 -2.439 -6.976 -3.100 303 HB2 GLN 36 HB2 GLN 36 -4.705 -6.853 -4.278 304 HB3 GLN 36 HB3 GLN 36 -4.063 -5.450 -5.159 305 HG2 GLN 36 HG2 GLN 36 -2.463 -6.744 -6.282 306 HG3 GLN 36 HG3 GLN 36 -2.528 -8.041 -5.075 307 HE21 GLN 36 HE21 GLN 36 -4.486 -6.538 -7.730 308 HE22 GLN 36 HE22 GLN 36 -5.285 -8.031 -8.162 309 H LYS 37 HN LYS 37 -0.504 -6.668 -4.012 310 HA LYS 37 HA LYS 37 0.711 -4.020 -3.895 311 HB2 LYS 37 HB2 LYS 37 2.756 -5.136 -4.205 312 HB3 LYS 37 HB3 LYS 37 1.801 -6.215 -3.195 313 HG2 LYS 37 HG2 LYS 37 1.195 -7.472 -5.361 314 HG3 LYS 37 HG3 LYS 37 2.434 -6.469 -6.155 315 HD2 LYS 37 HD2 LYS 37 4.071 -7.297 -4.394 316 HD3 LYS 37 HD3 LYS 37 2.841 -8.475 -3.911 317 HE2 LYS 37 HE2 LYS 37 4.192 -8.184 -6.633 318 HE3 LYS 37 HE3 LYS 37 4.482 -9.457 -5.451 319 HZ1 LYS 37 HZ1 LYS 37 3.047 -10.252 -7.155 320 HZ2 LYS 37 HZ2 LYS 37 1.995 -9.009 -6.980 321 HZ3 LYS 37 HZ3 LYS 37 2.131 -10.150 -5.795 322 H VAL 38 HN VAL 38 2.040 -3.179 -5.818 323 HA VAL 38 HA VAL 38 1.217 -4.267 -8.417 324 HB VAL 38 HB VAL 38 -0.543 -2.608 -7.623 325 HG11 VAL 38 HG11 VAL 38 1.552 -0.525 -8.319 326 HG12 VAL 38 HG12 VAL 38 -0.151 -0.232 -7.956 327 HG13 VAL 38 HG13 VAL 38 0.915 -0.867 -6.691 328 HG21 VAL 38 HG21 VAL 38 0.706 -2.026 -10.319 329 HG22 VAL 38 HG22 VAL 38 -0.383 -3.372 -9.938 330 HG23 VAL 38 HG23 VAL 38 -0.961 -1.708 -9.798 331 H TRP 39 HN TRP 39 3.793 -3.115 -6.554 332 HA TRP 39 HA TRP 39 5.352 -2.500 -8.968 333 HB2 TRP 39 HB2 TRP 39 4.134 -0.412 -7.762 334 HB3 TRP 39 HB3 TRP 39 5.510 -0.532 -6.690 335 HD1 TRP 39 HD1 TRP 39 4.952 -0.515 -10.524 336 HE1 TRP 39 HE1 TRP 39 6.429 1.261 -11.595 337 HE3 TRP 39 HE3 TRP 39 7.619 0.916 -6.406 338 HZ2 TRP 39 HZ2 TRP 39 8.143 3.428 -10.663 339 HZ3 TRP 39 HZ3 TRP 39 8.956 2.994 -6.462 340 HH2 TRP 39 HH2 TRP 39 9.201 4.280 -8.584 341 H ASP 40 HN ASP 40 7.665 -2.624 -8.588 342 HA ASP 40 HA ASP 40 8.530 -3.625 -5.952 343 HB2 ASP 40 HB2 ASP 40 7.861 -5.302 -8.274 344 HB3 ASP 40 HB3 ASP 40 9.534 -5.530 -7.829 345 H ARG 41 HN ARG 41 9.136 -1.195 -7.406 346 HA ARG 41 HA ARG 41 11.644 -1.543 -8.822 347 HB2 ARG 41 HB2 ARG 41 9.731 0.225 -9.136 348 HB3 ARG 41 HB3 ARG 41 10.534 1.102 -7.850 349 HG2 ARG 41 HG2 ARG 41 12.536 0.342 -9.780 350 HG3 ARG 41 HG3 ARG 41 11.152 0.964 -10.664 351 HD2 ARG 41 HD2 ARG 41 11.327 3.104 -9.722 352 HD3 ARG 41 HD3 ARG 41 12.313 2.532 -8.359 353 HE ARG 41 HE ARG 41 14.160 2.088 -9.872 354 HH11 ARG 41 HH11 ARG 41 11.790 4.322 -11.293 355 HH12 ARG 41 HH12 ARG 41 12.986 5.244 -12.135 356 HH21 ARG 41 HH21 ARG 41 15.522 2.890 -11.333 357 HH22 ARG 41 HH22 ARG 41 15.272 4.391 -12.164 358 H LYS 42 HN LYS 42 13.495 0.126 -8.176 359 HA LYS 42 HA LYS 42 13.700 0.897 -5.470 360 HB2 LYS 42 HB2 LYS 42 15.842 -0.315 -4.993 361 HB3 LYS 42 HB3 LYS 42 14.440 -1.335 -4.997 362 HG2 LYS 42 HG2 LYS 42 15.732 -1.204 -7.657 363 HG3 LYS 42 HG3 LYS 42 16.861 -1.681 -6.399 364 HD2 LYS 42 HD2 LYS 42 14.178 -3.078 -6.541 365 HD3 LYS 42 HD3 LYS 42 15.454 -3.480 -7.686 366 HE2 LYS 42 HE2 LYS 42 15.652 -4.984 -5.824 367 HE3 LYS 42 HE3 LYS 42 17.051 -3.891 -5.867 368 HZ1 LYS 42 HZ1 LYS 42 16.240 -2.725 -4.040 369 HZ2 LYS 42 HZ2 LYS 42 16.146 -4.311 -3.678 370 HZ3 LYS 42 HZ3 LYS 42 14.748 -3.486 -4.065 371 H ARG 43 HN ARG 43 15.935 1.870 -5.170 372 HA ARG 43 HA ARG 43 17.096 3.083 -7.625 373 HB2 ARG 43 HB2 ARG 43 17.057 3.977 -4.717 374 HB3 ARG 43 HB3 ARG 43 18.421 4.387 -5.715 375 HG2 ARG 43 HG2 ARG 43 17.314 6.185 -6.304 376 HG3 ARG 43 HG3 ARG 43 16.447 5.155 -7.437 377 HD2 ARG 43 HD2 ARG 43 14.711 4.728 -5.702 378 HD3 ARG 43 HD3 ARG 43 15.554 5.819 -4.594 379 HE ARG 43 HE ARG 43 13.638 6.556 -6.459 380 HH11 ARG 43 HH11 ARG 43 16.776 7.733 -5.286 381 HH12 ARG 43 HH12 ARG 43 16.478 9.370 -5.707 382 HH21 ARG 43 HH21 ARG 43 13.263 8.772 -7.089 383 HH22 ARG 43 HH22 ARG 43 14.533 9.925 -6.835 384 H LYS 44 HN LYS 44 19.700 3.269 -6.497 385 HA LYS 44 HA LYS 44 20.622 0.477 -6.375 386 HB2 LYS 44 HB2 LYS 44 21.949 3.196 -6.027 387 HB3 LYS 44 HB3 LYS 44 22.768 1.698 -5.575 388 HG2 LYS 44 HG2 LYS 44 23.429 2.443 -7.785 389 HG3 LYS 44 HG3 LYS 44 22.673 0.854 -7.834 390 HD2 LYS 44 HD2 LYS 44 20.631 1.789 -8.780 391 HD3 LYS 44 HD3 LYS 44 21.220 3.445 -8.491 392 HE2 LYS 44 HE2 LYS 44 23.041 3.099 -10.097 393 HE3 LYS 44 HE3 LYS 44 22.517 1.437 -10.376 394 HZ1 LYS 44 HZ1 LYS 44 21.767 2.955 -12.072 395 HZ2 LYS 44 HZ2 LYS 44 20.903 3.840 -10.978 396 HZ3 LYS 44 HZ3 LYS 44 20.466 2.296 -11.329 397 H ASP 45 HN ASP 45 21.351 3.003 -4.041 398 HA ASP 45 HA ASP 45 21.358 1.195 -1.866 399 HB2 ASP 45 HB2 ASP 45 21.464 4.204 -1.575 400 HB3 ASP 45 HB3 ASP 45 22.343 2.980 -0.677 401 H GLU 46 HN GLU 46 18.524 1.991 -3.068 402 HA GLU 46 HA GLU 46 17.137 2.531 -0.566 403 HB2 GLU 46 HB2 GLU 46 17.843 4.721 -2.215 404 HB3 GLU 46 HB3 GLU 46 16.195 4.328 -2.688 405 HG2 GLU 46 HG2 GLU 46 15.346 4.662 -0.503 406 HG3 GLU 46 HG3 GLU 46 16.992 4.766 0.193 407 H ALA 47 HN ALA 47 14.800 2.021 -0.950 408 HA ALA 47 HA ALA 47 14.144 0.667 -3.471 409 HB1 ALA 47 HB1 ALA 47 15.331 -1.029 -2.228 410 HB2 ALA 47 HB2 ALA 47 14.387 -0.687 -0.769 411 HB3 ALA 47 HB3 ALA 47 13.598 -1.404 -2.207 412 H VAL 48 HN VAL 48 11.821 0.102 -3.596 413 HA VAL 48 HA VAL 48 10.006 1.639 -1.882 414 HB VAL 48 HB VAL 48 9.247 2.714 -4.204 415 HG11 VAL 48 HG11 VAL 48 11.394 3.929 -2.450 416 HG12 VAL 48 HG12 VAL 48 10.443 4.795 -3.664 417 HG13 VAL 48 HG13 VAL 48 9.640 4.054 -2.278 418 HG21 VAL 48 HG21 VAL 48 11.068 3.502 -5.608 419 HG22 VAL 48 HG22 VAL 48 12.253 2.611 -4.652 420 HG23 VAL 48 HG23 VAL 48 11.032 1.725 -5.592 421 H LYS 49 HN LYS 49 8.316 0.247 -1.641 422 HA LYS 49 HA LYS 49 7.416 -1.391 -3.960 423 HB2 LYS 49 HB2 LYS 49 7.997 -2.352 -1.132 424 HB3 LYS 49 HB3 LYS 49 6.932 -3.202 -2.230 425 HG2 LYS 49 HG2 LYS 49 8.706 -3.711 -3.749 426 HG3 LYS 49 HG3 LYS 49 9.809 -2.558 -2.980 427 HD2 LYS 49 HD2 LYS 49 10.421 -4.823 -2.301 428 HD3 LYS 49 HD3 LYS 49 9.842 -3.890 -0.929 429 HE2 LYS 49 HE2 LYS 49 8.817 -5.925 -0.591 430 HE3 LYS 49 HE3 LYS 49 7.532 -4.979 -1.342 431 HZ1 LYS 49 HZ1 LYS 49 9.119 -7.175 -2.476 432 HZ2 LYS 49 HZ2 LYS 49 8.387 -6.111 -3.495 433 HZ3 LYS 49 HZ3 LYS 49 7.493 -6.981 -2.438 434 H GLN 50 HN GLN 50 5.555 -0.337 -4.362 435 HA GLN 50 HA GLN 50 3.834 0.502 -2.084 436 HB2 GLN 50 HB2 GLN 50 3.647 1.375 -4.984 437 HB3 GLN 50 HB3 GLN 50 2.725 1.989 -3.624 438 HG2 GLN 50 HG2 GLN 50 4.270 3.650 -3.764 439 HG3 GLN 50 HG3 GLN 50 5.125 2.582 -2.632 440 HE21 GLN 50 HE21 GLN 50 4.938 3.797 -6.021 441 HE22 GLN 50 HE22 GLN 50 6.507 3.114 -6.477 442 H TYR 51 HN TYR 51 1.449 0.562 -2.749 443 HA TYR 51 HA TYR 51 0.492 -1.959 -3.887 444 HB2 TYR 51 HB2 TYR 51 -0.106 -0.891 -1.089 445 HB3 TYR 51 HB3 TYR 51 -0.843 -2.307 -1.818 446 HD1 TYR 51 HD1 TYR 51 2.377 -0.911 -0.504 447 HD2 TYR 51 HD2 TYR 51 0.209 -4.472 -1.602 448 HE1 TYR 51 HE1 TYR 51 4.266 -2.267 0.242 449 HE2 TYR 51 HE2 TYR 51 2.100 -5.862 -0.793 450 HH TYR 51 HH TYR 51 4.809 -5.334 -0.709 451 H HIS 52 HN HIS 52 -1.917 -1.760 -4.202 452 HA HIS 52 HA HIS 52 -2.889 1.034 -4.411 453 HB2 HIS 52 HB2 HIS 52 -1.956 0.510 -6.598 454 HB3 HIS 52 HB3 HIS 52 -2.800 -1.037 -6.641 455 HD1 HIS 52 HD1 HIS 52 -4.426 2.433 -5.795 456 HD2 HIS 52 HD2 HIS 52 -4.381 -0.659 -8.686 457 HE1 HIS 52 HE1 HIS 52 -6.239 2.986 -7.480 458 H LEU 53 HN LEU 53 -4.436 0.825 -2.861 459 HA LEU 53 HA LEU 53 -6.000 -1.673 -2.590 460 HB2 LEU 53 HB2 LEU 53 -5.289 0.611 -0.710 461 HB3 LEU 53 HB3 LEU 53 -6.203 -0.824 -0.273 462 HG LEU 53 HG LEU 53 -4.250 -1.368 0.618 463 HD11 LEU 53 HD11 LEU 53 -4.630 -2.997 -1.242 464 HD12 LEU 53 HD12 LEU 53 -3.000 -2.966 -0.515 465 HD13 LEU 53 HD13 LEU 53 -3.296 -2.210 -2.107 466 HD21 LEU 53 HD21 LEU 53 -2.042 -0.603 0.109 467 HD22 LEU 53 HD22 LEU 53 -3.162 0.752 0.192 468 HD23 LEU 53 HD23 LEU 53 -2.612 0.173 -1.399 469 H THR 54 HN THR 54 -8.278 -1.542 -2.630 470 HA THR 54 HA THR 54 -9.351 0.982 -3.612 471 HB THR 54 HB THR 54 -10.927 -1.518 -3.073 472 HG1 THR 54 HG1 THR 54 -10.372 -2.164 -5.204 473 HG21 THR 54 HG21 THR 54 -11.902 0.754 -4.003 474 HG22 THR 54 HG22 THR 54 -12.345 -0.750 -4.804 475 HG23 THR 54 HG23 THR 54 -11.088 0.319 -5.515 476 H LEU 55 HN LEU 55 -10.282 2.419 -2.247 477 HA LEU 55 HA LEU 55 -11.341 1.508 0.373 478 HB2 LEU 55 HB2 LEU 55 -10.452 4.201 -0.694 479 HB3 LEU 55 HB3 LEU 55 -11.659 4.192 0.554 480 HG LEU 55 HG LEU 55 -9.483 2.298 1.163 481 HD11 LEU 55 HD11 LEU 55 -8.167 3.812 -0.166 482 HD12 LEU 55 HD12 LEU 55 -7.685 3.927 1.552 483 HD13 LEU 55 HD13 LEU 55 -8.673 5.196 0.814 484 HD21 LEU 55 HD21 LEU 55 -11.115 3.322 2.836 485 HD22 LEU 55 HD22 LEU 55 -10.085 4.745 2.779 486 HD23 LEU 55 HD23 LEU 55 -9.389 3.230 3.285 487 H ARG 56 HN ARG 56 -13.481 2.346 0.846 488 HA ARG 56 HA ARG 56 -15.199 2.974 -1.463 489 HB2 ARG 56 HB2 ARG 56 -15.323 0.511 -1.013 490 HB3 ARG 56 HB3 ARG 56 -15.952 0.856 0.602 491 HG2 ARG 56 HG2 ARG 56 -17.983 1.794 -0.304 492 HG3 ARG 56 HG3 ARG 56 -17.240 1.935 -1.905 493 HD2 ARG 56 HD2 ARG 56 -16.978 -0.655 -1.783 494 HD3 ARG 56 HD3 ARG 56 -18.228 -0.570 -0.535 495 HE ARG 56 HE ARG 56 -19.312 0.896 -2.562 496 HH11 ARG 56 HH11 ARG 56 -17.603 -2.199 -2.759 497 HH12 ARG 56 HH12 ARG 56 -18.672 -2.905 -3.919 498 HH21 ARG 56 HH21 ARG 56 -20.517 0.082 -4.459 499 HH22 ARG 56 HH22 ARG 56 -20.103 -1.501 -5.033 500 H GLU 57 HN GLU 57 -16.539 4.673 -0.899 501 HA GLU 57 HA GLU 57 -17.176 5.051 1.977 502 HB2 GLU 57 HB2 GLU 57 -15.587 6.842 1.239 503 HB3 GLU 57 HB3 GLU 57 -16.735 7.269 -0.036 504 HG2 GLU 57 HG2 GLU 57 -18.481 7.517 1.838 505 HG3 GLU 57 HG3 GLU 57 -17.169 7.372 2.968 506 H GLY 58 HN GLY 58 -19.256 4.379 2.046 507 HA2 GLY 58 HA1 GLY 58 -21.505 4.210 1.605 508 HA3 GLY 58 HA2 GLY 58 -21.333 5.897 1.141 509 H SER 59 HN SER 59 -21.440 6.462 -1.000 510 HA SER 59 HA SER 59 -22.348 4.323 -2.852 511 HB2 SER 59 HB2 SER 59 -23.895 6.126 -2.122 512 HB3 SER 59 HB3 SER 59 -22.855 7.314 -2.922 513 HG SER 59 HG SER 59 -23.825 5.100 -4.386 514 H LYS 60 HN LYS 60 -19.378 5.771 -2.365 515 HA LYS 60 HA LYS 60 -18.787 5.585 -5.286 516 HB2 LYS 60 HB2 LYS 60 -18.641 7.908 -4.526 517 HB3 LYS 60 HB3 LYS 60 -17.517 7.470 -3.251 518 HG2 LYS 60 HG2 LYS 60 -15.846 7.145 -4.758 519 HG3 LYS 60 HG3 LYS 60 -16.874 6.727 -6.089 520 HD2 LYS 60 HD2 LYS 60 -15.972 8.800 -6.681 521 HD3 LYS 60 HD3 LYS 60 -17.596 9.185 -6.112 522 HE2 LYS 60 HE2 LYS 60 -16.574 9.736 -3.857 523 HE3 LYS 60 HE3 LYS 60 -14.982 9.483 -4.586 524 HZ1 LYS 60 HZ1 LYS 60 -16.957 11.533 -5.400 525 HZ2 LYS 60 HZ2 LYS 60 -15.502 11.217 -6.172 526 HZ3 LYS 60 HZ3 LYS 60 -15.509 11.752 -4.628 527 H GLU 61 HN GLU 61 -16.729 4.696 -5.773 528 HA GLU 61 HA GLU 61 -15.079 3.666 -3.571 529 HB2 GLU 61 HB2 GLU 61 -15.776 2.218 -6.150 530 HB3 GLU 61 HB3 GLU 61 -14.154 2.054 -5.446 531 HG2 GLU 61 HG2 GLU 61 -15.113 1.350 -3.292 532 HG3 GLU 61 HG3 GLU 61 -16.723 1.491 -3.968 533 H PHE 62 HN PHE 62 -13.056 4.194 -3.807 534 HA PHE 62 HA PHE 62 -11.906 5.381 -6.147 535 HB2 PHE 62 HB2 PHE 62 -11.103 7.438 -5.072 536 HB3 PHE 62 HB3 PHE 62 -12.848 7.439 -5.307 537 HD1 PHE 62 HD1 PHE 62 -14.377 7.028 -3.281 538 HD2 PHE 62 HD2 PHE 62 -10.135 7.570 -2.841 539 HE1 PHE 62 HE1 PHE 62 -14.710 7.463 -0.913 540 HE2 PHE 62 HE2 PHE 62 -10.472 8.013 -0.420 541 HZ PHE 62 HZ PHE 62 -12.744 7.873 0.571 542 H GLY 63 HN GLY 63 -10.046 4.236 -6.188 543 HA2 GLY 63 HA1 GLY 63 -8.987 2.973 -3.753 544 HA3 GLY 63 HA2 GLY 63 -8.348 2.821 -5.404 545 H VAL 64 HN VAL 64 -6.556 3.164 -3.466 546 HA VAL 64 HA VAL 64 -5.586 5.936 -3.932 547 HB VAL 64 HB VAL 64 -4.972 6.113 -1.601 548 HG11 VAL 64 HG11 VAL 64 -7.216 6.928 -2.294 549 HG12 VAL 64 HG12 VAL 64 -7.924 5.417 -1.732 550 HG13 VAL 64 HG13 VAL 64 -7.115 6.490 -0.576 551 HG21 VAL 64 HG21 VAL 64 -5.787 4.539 0.117 552 HG22 VAL 64 HG22 VAL 64 -6.296 3.421 -1.181 553 HG23 VAL 64 HG23 VAL 64 -4.583 3.809 -0.955 554 H PHE 65 HN PHE 65 -3.194 6.064 -3.061 555 HA PHE 65 HA PHE 65 -1.757 3.509 -3.498 556 HB2 PHE 65 HB2 PHE 65 -0.958 6.223 -4.625 557 HB3 PHE 65 HB3 PHE 65 -0.022 4.760 -4.729 558 HD1 PHE 65 HD1 PHE 65 -2.951 6.594 -5.953 559 HD2 PHE 65 HD2 PHE 65 -0.696 2.941 -6.328 560 HE1 PHE 65 HE1 PHE 65 -4.130 6.086 -8.087 561 HE2 PHE 65 HE2 PHE 65 -1.830 2.478 -8.495 562 HZ PHE 65 HZ PHE 65 -3.536 4.039 -9.368 563 H VAL 66 HN VAL 66 0.238 3.466 -2.287 564 HA VAL 66 HA VAL 66 0.431 5.515 -0.101 565 HB VAL 66 HB VAL 66 1.099 2.528 0.008 566 HG11 VAL 66 HG11 VAL 66 2.489 3.862 1.559 567 HG12 VAL 66 HG12 VAL 66 1.052 4.705 2.167 568 HG13 VAL 66 HG13 VAL 66 1.277 2.974 2.453 569 HG21 VAL 66 HG21 VAL 66 -1.338 2.765 -0.052 570 HG22 VAL 66 HG22 VAL 66 -0.832 2.372 1.587 571 HG23 VAL 66 HG23 VAL 66 -1.279 4.036 1.184 572 H THR 67 HN THR 67 2.840 5.908 0.524 573 HA THR 67 HA THR 67 4.694 4.870 -1.541 574 HB THR 67 HB THR 67 4.101 7.508 -1.665 575 HG1 THR 67 HG1 THR 67 5.810 6.426 -2.891 576 HG21 THR 67 HG21 THR 67 4.658 7.891 0.650 577 HG22 THR 67 HG22 THR 67 5.578 8.898 -0.470 578 HG23 THR 67 HG23 THR 67 6.362 7.523 0.345 579 H ILE 68 HN ILE 68 6.410 3.844 -0.548 580 HA ILE 68 HA ILE 68 7.029 4.385 2.253 581 HB ILE 68 HB ILE 68 6.558 1.613 1.085 582 HG12 ILE 68 HG12 ILE 68 5.136 2.898 3.455 583 HG13 ILE 68 HG13 ILE 68 4.464 2.749 1.831 584 HG21 ILE 68 HG21 ILE 68 7.330 0.755 3.268 585 HG22 ILE 68 HG22 ILE 68 8.594 1.717 2.524 586 HG23 ILE 68 HG23 ILE 68 7.619 2.411 3.841 587 HD11 ILE 68 HD11 ILE 68 3.549 0.999 3.164 588 HD12 ILE 68 HD12 ILE 68 4.631 0.278 1.961 589 HD13 ILE 68 HD13 ILE 68 5.145 0.434 3.664 590 H SER 69 HN SER 69 9.080 5.082 1.981 591 HA SER 69 HA SER 69 10.771 3.847 -0.142 592 HB2 SER 69 HB2 SER 69 10.690 6.336 -0.263 593 HB3 SER 69 HB3 SER 69 11.237 6.416 1.420 594 HG SER 69 HG SER 69 13.037 6.545 0.166 595 H PHE 70 HN PHE 70 12.418 2.569 0.625 596 HA PHE 70 HA PHE 70 13.053 2.621 3.462 597 HB2 PHE 70 HB2 PHE 70 12.732 0.296 3.866 598 HB3 PHE 70 HB3 PHE 70 11.207 0.969 3.334 599 HD1 PHE 70 HD2 PHE 70 10.499 0.580 0.866 600 HD2 PHE 70 HD1 PHE 70 13.830 -1.466 2.669 601 HE1 PHE 70 HE2 PHE 70 10.478 -1.091 -0.962 602 HE2 PHE 70 HE1 PHE 70 13.746 -3.184 0.886 603 HZ PHE 70 HZ PHE 70 12.066 -3.007 -0.932 604 H ASP 71 HN ASP 71 14.934 0.988 3.767 605 HA ASP 71 HA ASP 71 16.849 1.538 1.549 606 HB2 ASP 71 HB2 ASP 71 17.054 2.698 3.720 607 HB3 ASP 71 HB3 ASP 71 17.126 1.112 4.528 608 HA PRO 72 HA PRO 72 16.994 -2.859 1.096 609 HB2 PRO 72 HB2 PRO 72 19.244 -3.219 -0.426 610 HB3 PRO 72 HB3 PRO 72 17.751 -2.425 -1.034 611 HG2 PRO 72 HG2 PRO 72 20.270 -1.108 -0.001 612 HG3 PRO 72 HG3 PRO 72 19.347 -0.727 -1.475 613 HD2 PRO 72 HD2 PRO 72 19.013 0.655 0.855 614 HD3 PRO 72 HD3 PRO 72 17.653 0.343 -0.264 615 H TYR 73 HN TYR 73 19.553 -1.240 2.821 616 HA TYR 73 HA TYR 73 21.254 -3.503 3.238 617 HB2 TYR 73 HB2 TYR 73 21.056 -0.920 4.820 618 HB3 TYR 73 HB3 TYR 73 22.241 -2.160 5.098 619 HD1 TYR 73 HD2 TYR 73 21.039 -0.376 1.956 620 HD2 TYR 73 HD1 TYR 73 24.374 -1.492 4.446 621 HE1 TYR 73 HE2 TYR 73 22.519 0.874 0.488 622 HE2 TYR 73 HE1 TYR 73 25.889 -0.255 2.943 623 HH TYR 73 HH TYR 73 24.689 1.624 0.120 624 H SER 74 HN SER 74 18.783 -1.900 5.263 625 HA SER 74 HA SER 74 18.114 -4.426 6.604 626 HB2 SER 74 HB2 SER 74 20.142 -3.460 7.826 627 HB3 SER 74 HB3 SER 74 19.088 -2.128 8.335 628 HG SER 74 HG SER 74 19.104 -3.701 9.887 629 H GLN 75 HN GLN 75 16.663 -2.489 4.863 630 HA GLN 75 HA GLN 75 14.548 -1.754 4.708 631 HB2 GLN 75 HB2 GLN 75 14.007 -3.277 7.225 632 HB3 GLN 75 HB3 GLN 75 12.817 -2.571 6.218 633 HG2 GLN 75 HG2 GLN 75 14.460 -4.875 5.767 634 HG3 GLN 75 HG3 GLN 75 12.710 -4.802 5.662 635 HE21 GLN 75 HE21 GLN 75 15.783 -3.946 3.896 636 HE22 GLN 75 HE22 GLN 75 15.081 -4.192 2.309 637 H LYS 76 HN LYS 76 16.468 0.123 5.896 638 HA LYS 76 HA LYS 76 15.189 1.409 8.176 639 HB2 LYS 76 HB2 LYS 76 17.308 2.439 6.252 640 HB3 LYS 76 HB3 LYS 76 16.487 3.443 7.413 641 HG2 LYS 76 HG2 LYS 76 17.232 1.371 9.044 642 HG3 LYS 76 HG3 LYS 76 18.557 1.349 7.859 643 HD2 LYS 76 HD2 LYS 76 18.780 3.869 8.281 644 HD3 LYS 76 HD3 LYS 76 17.565 3.666 9.584 645 HE2 LYS 76 HE2 LYS 76 19.075 2.016 10.697 646 HE3 LYS 76 HE3 LYS 76 20.267 2.243 9.417 647 HZ1 LYS 76 HZ1 LYS 76 20.808 3.528 11.341 648 HZ2 LYS 76 HZ2 LYS 76 19.382 4.327 11.314 649 HZ3 LYS 76 HZ3 LYS 76 20.497 4.534 10.090 650 H VAL 77 HN VAL 77 13.236 2.083 8.019 651 HA VAL 77 HA VAL 77 11.927 2.706 5.549 652 HB VAL 77 HB VAL 77 10.900 3.527 8.274 653 HG11 VAL 77 HG11 VAL 77 9.653 4.213 6.226 654 HG12 VAL 77 HG12 VAL 77 9.505 2.502 5.769 655 HG13 VAL 77 HG13 VAL 77 8.739 3.102 7.258 656 HG21 VAL 77 HG21 VAL 77 10.991 0.730 7.173 657 HG22 VAL 77 HG22 VAL 77 11.618 1.310 8.722 658 HG23 VAL 77 HG23 VAL 77 9.874 1.254 8.460 659 H ASN 78 HN ASN 78 12.731 4.373 4.438 660 HA ASN 78 HA ASN 78 14.116 6.573 5.677 661 HB2 ASN 78 HB2 ASN 78 13.192 6.152 2.805 662 HB3 ASN 78 HB3 ASN 78 14.267 7.436 3.353 663 HD21 ASN 78 HD21 ASN 78 14.508 4.686 1.643 664 HD22 ASN 78 HD22 ASN 78 15.956 4.007 2.366 665 H LYS 79 HN LYS 79 10.950 6.164 4.078 666 HA LYS 79 HA LYS 79 9.742 8.249 5.695 667 HB2 LYS 79 HB2 LYS 79 10.800 8.841 3.025 668 HB3 LYS 79 HB3 LYS 79 9.065 9.045 3.023 669 HG2 LYS 79 HG2 LYS 79 10.703 10.329 5.233 670 HG3 LYS 79 HG3 LYS 79 10.681 11.039 3.617 671 HD2 LYS 79 HD2 LYS 79 8.232 11.193 3.661 672 HD3 LYS 79 HD3 LYS 79 8.197 10.478 5.291 673 HE2 LYS 79 HE2 LYS 79 9.348 12.343 6.248 674 HE3 LYS 79 HE3 LYS 79 9.836 12.960 4.667 675 HZ1 LYS 79 HZ1 LYS 79 8.035 14.214 5.651 676 HZ2 LYS 79 HZ2 LYS 79 7.024 12.906 5.602 677 HZ3 LYS 79 HZ3 LYS 79 7.599 13.551 4.198 678 H ILE 80 HN ILE 80 7.395 8.299 5.326 679 HA ILE 80 HA ILE 80 6.250 6.388 3.438 680 HB ILE 80 HB ILE 80 5.448 6.644 6.373 681 HG12 ILE 80 HG12 ILE 80 6.508 4.269 4.779 682 HG13 ILE 80 HG13 ILE 80 7.353 5.140 6.061 683 HG21 ILE 80 HG21 ILE 80 3.601 5.087 5.885 684 HG22 ILE 80 HG22 ILE 80 3.423 6.524 4.922 685 HG23 ILE 80 HG23 ILE 80 4.064 5.046 4.171 686 HD11 ILE 80 HD11 ILE 80 4.897 3.396 6.405 687 HD12 ILE 80 HD12 ILE 80 6.525 3.096 6.998 688 HD13 ILE 80 HD13 ILE 80 5.579 4.440 7.675 689 H ALA 81 HN ALA 81 4.325 7.273 2.553 690 HA ALA 81 HA ALA 81 3.100 9.630 3.692 691 HB1 ALA 81 HB1 ALA 81 3.381 11.113 1.912 692 HB2 ALA 81 HB2 ALA 81 5.001 10.425 2.027 693 HB3 ALA 81 HB3 ALA 81 3.859 9.877 0.764 694 H ILE 82 HN ILE 82 1.150 10.175 2.242 695 HA ILE 82 HA ILE 82 -0.140 7.698 1.221 696 HB ILE 82 HB ILE 82 -1.104 9.757 3.208 697 HG12 ILE 82 HG12 ILE 82 0.248 7.759 4.007 698 HG13 ILE 82 HG13 ILE 82 -1.314 7.969 4.725 699 HG21 ILE 82 HG21 ILE 82 -2.980 9.490 1.729 700 HG22 ILE 82 HG22 ILE 82 -2.766 7.742 1.677 701 HG23 ILE 82 HG23 ILE 82 -3.310 8.505 3.159 702 HD11 ILE 82 HD11 ILE 82 -1.014 6.029 2.436 703 HD12 ILE 82 HD12 ILE 82 -0.543 5.594 4.079 704 HD13 ILE 82 HD13 ILE 82 -2.221 6.053 3.757 705 H LEU 83 HN LEU 83 -1.316 7.939 -0.629 706 HA LEU 83 HA LEU 83 -1.620 10.593 -1.886 707 HB2 LEU 83 HB2 LEU 83 0.244 8.932 -2.756 708 HB3 LEU 83 HB3 LEU 83 -1.084 7.953 -3.298 709 HG LEU 83 HG LEU 83 0.066 9.267 -4.990 710 HD11 LEU 83 HD11 LEU 83 -2.747 10.283 -5.082 711 HD12 LEU 83 HD12 LEU 83 -2.381 8.548 -5.205 712 HD13 LEU 83 HD13 LEU 83 -1.714 9.696 -6.370 713 HD21 LEU 83 HD21 LEU 83 -0.284 11.683 -5.243 714 HD22 LEU 83 HD22 LEU 83 0.487 11.337 -3.685 715 HD23 LEU 83 HD23 LEU 83 -1.252 11.729 -3.760 716 H GLU 84 HN GLU 84 -3.623 10.483 -3.417 717 HA GLU 84 HA GLU 84 -5.517 8.362 -2.742 718 HB2 GLU 84 HB2 GLU 84 -5.442 10.547 -1.166 719 HB3 GLU 84 HB3 GLU 84 -6.353 11.228 -2.509 720 HG2 GLU 84 HG2 GLU 84 -8.000 9.314 -2.222 721 HG3 GLU 84 HG3 GLU 84 -7.060 8.795 -0.843 722 H GLU 85 HN GLU 85 -7.063 8.139 -4.434 723 HA GLU 85 HA GLU 85 -6.350 9.485 -6.950 724 HB2 GLU 85 HB2 GLU 85 -6.948 7.015 -6.727 725 HB3 GLU 85 HB3 GLU 85 -8.605 7.518 -6.350 726 HG2 GLU 85 HG2 GLU 85 -8.426 6.861 -8.673 727 HG3 GLU 85 HG3 GLU 85 -8.782 8.593 -8.575 728 H TYR 86 HN TYR 86 -7.987 10.710 -8.185 729 HA TYR 86 HA TYR 86 -10.552 11.276 -7.083 730 HB2 TYR 86 HB2 TYR 86 -10.311 13.757 -7.102 731 HB3 TYR 86 HB3 TYR 86 -9.435 12.995 -5.790 732 HD1 TYR 86 HD1 TYR 86 -9.112 14.831 -8.999 733 HD2 TYR 86 HD2 TYR 86 -6.984 13.013 -5.706 734 HE1 TYR 86 HE1 TYR 86 -6.999 15.924 -9.750 735 HE2 TYR 86 HE2 TYR 86 -4.896 14.093 -6.445 736 HH TYR 86 HH TYR 86 -3.909 15.057 -8.362 737 H GLN 87 HN GLN 87 -11.918 12.209 -8.732 738 HA GLN 87 HA GLN 87 -11.012 13.103 -11.235 739 HB2 GLN 87 HB2 GLN 87 -11.874 11.212 -12.615 740 HB3 GLN 87 HB3 GLN 87 -10.391 10.897 -11.743 741 HG2 GLN 87 HG2 GLN 87 -12.315 9.965 -9.962 742 HG3 GLN 87 HG3 GLN 87 -13.038 9.617 -11.529 743 HE21 GLN 87 HE21 GLN 87 -11.442 7.956 -9.241 744 HE22 GLN 87 HE22 GLN 87 -10.221 7.119 -10.193 Start of MODEL 23 1 H1 GLY 1 HN GLY 1 -19.076 -10.472 -6.844 2 HA2 GLY 1 HA1 GLY 1 -18.095 -9.723 -4.702 3 HA3 GLY 1 HA2 GLY 1 -19.303 -10.996 -4.471 4 H GLU 2 HN GLU 2 -16.077 -10.057 -3.964 5 HA GLU 2 HA GLU 2 -15.216 -12.559 -2.784 6 HB2 GLU 2 HB2 GLU 2 -13.119 -12.535 -4.199 7 HB3 GLU 2 HB3 GLU 2 -14.559 -13.088 -5.030 8 HG2 GLU 2 HG2 GLU 2 -13.556 -10.211 -5.268 9 HG3 GLU 2 HG3 GLU 2 -12.978 -11.517 -6.309 10 H GLU 3 HN GLU 3 -12.875 -12.082 -1.967 11 HA GLU 3 HA GLU 3 -13.085 -9.405 -0.681 12 HB2 GLU 3 HB2 GLU 3 -11.984 -12.028 0.382 13 HB3 GLU 3 HB3 GLU 3 -12.091 -10.489 1.268 14 HG2 GLU 3 HG2 GLU 3 -14.582 -10.490 0.867 15 HG3 GLU 3 HG3 GLU 3 -14.440 -12.090 0.136 16 H THR 4 HN THR 4 -10.567 -11.827 -1.679 17 HA THR 4 HA THR 4 -8.823 -9.613 -2.488 18 HB THR 4 HB THR 4 -6.963 -11.162 -1.362 19 HG1 THR 4 HG1 THR 4 -7.641 -12.024 0.582 20 HG21 THR 4 HG21 THR 4 -8.675 -9.319 0.351 21 HG22 THR 4 HG22 THR 4 -7.466 -8.766 -0.833 22 HG23 THR 4 HG23 THR 4 -6.960 -9.745 0.554 23 HA PRO 5 HA PRO 5 -7.949 -12.596 -5.741 24 HB2 PRO 5 HB2 PRO 5 -5.377 -12.077 -6.469 25 HB3 PRO 5 HB3 PRO 5 -6.698 -10.899 -6.738 26 HG2 PRO 5 HG2 PRO 5 -4.715 -10.959 -4.441 27 HG3 PRO 5 HG3 PRO 5 -5.143 -9.570 -5.493 28 HD2 PRO 5 HD2 PRO 5 -6.307 -9.954 -3.059 29 HD3 PRO 5 HD3 PRO 5 -7.230 -9.288 -4.434 30 H LEU 6 HN LEU 6 -6.546 -12.764 -2.666 31 HA LEU 6 HA LEU 6 -4.465 -14.764 -3.194 32 HB2 LEU 6 HB2 LEU 6 -5.389 -13.458 -0.622 33 HB3 LEU 6 HB3 LEU 6 -3.915 -14.365 -0.826 34 HG LEU 6 HG LEU 6 -4.499 -11.665 -2.095 35 HD11 LEU 6 HD11 LEU 6 -3.982 -11.573 0.315 36 HD12 LEU 6 HD12 LEU 6 -2.672 -10.869 -0.652 37 HD13 LEU 6 HD13 LEU 6 -2.490 -12.490 0.038 38 HD21 LEU 6 HD21 LEU 6 -3.129 -13.044 -3.630 39 HD22 LEU 6 HD22 LEU 6 -2.016 -13.429 -2.303 40 HD23 LEU 6 HD23 LEU 6 -2.151 -11.762 -2.900 41 H VAL 7 HN VAL 7 -6.982 -15.690 -3.789 42 HA VAL 7 HA VAL 7 -8.498 -16.908 -1.881 43 HB VAL 7 HB VAL 7 -9.417 -18.231 -3.704 44 HG11 VAL 7 HG11 VAL 7 -10.027 -16.459 -5.203 45 HG12 VAL 7 HG12 VAL 7 -9.844 -15.736 -3.599 46 HG13 VAL 7 HG13 VAL 7 -8.590 -15.509 -4.828 47 HG21 VAL 7 HG21 VAL 7 -8.415 -18.189 -5.973 48 HG22 VAL 7 HG22 VAL 7 -6.967 -17.388 -5.334 49 HG23 VAL 7 HG23 VAL 7 -7.392 -19.044 -4.822 50 H THR 8 HN THR 8 -5.344 -17.765 -2.370 51 HA THR 8 HA THR 8 -5.492 -20.131 -0.761 52 HB THR 8 HB THR 8 -6.307 -21.072 -2.893 53 HG1 THR 8 HG1 THR 8 -5.154 -22.364 -1.447 54 HG21 THR 8 HG21 THR 8 -5.088 -19.700 -4.520 55 HG22 THR 8 HG22 THR 8 -4.842 -21.428 -4.804 56 HG23 THR 8 HG23 THR 8 -3.570 -20.464 -4.043 57 H ALA 9 HN ALA 9 -4.163 -17.460 -0.895 58 HA ALA 9 HA ALA 9 -1.294 -18.242 -1.198 59 HB1 ALA 9 HB1 ALA 9 -2.078 -16.976 -3.161 60 HB2 ALA 9 HB2 ALA 9 -2.647 -15.676 -2.107 61 HB3 ALA 9 HB3 ALA 9 -0.918 -16.033 -2.206 62 H ARG 10 HN ARG 10 -0.913 -18.498 1.002 63 HA ARG 10 HA ARG 10 -1.829 -16.297 2.790 64 HB2 ARG 10 HB2 ARG 10 -2.626 -18.851 2.991 65 HB3 ARG 10 HB3 ARG 10 -1.118 -18.986 3.890 66 HG2 ARG 10 HG2 ARG 10 -2.148 -16.740 5.073 67 HG3 ARG 10 HG3 ARG 10 -3.639 -17.512 4.547 68 HD2 ARG 10 HD2 ARG 10 -3.377 -18.433 6.659 69 HD3 ARG 10 HD3 ARG 10 -2.585 -19.675 5.678 70 HE ARG 10 HE ARG 10 -0.618 -17.769 6.366 71 HH11 ARG 10 HH11 ARG 10 -2.467 -20.400 7.966 72 HH12 ARG 10 HH12 ARG 10 -1.475 -20.332 9.396 73 HH21 ARG 10 HH21 ARG 10 0.529 -17.658 8.363 74 HH22 ARG 10 HH22 ARG 10 0.274 -18.833 9.586 75 H HIS 11 HN HIS 11 0.500 -15.899 1.403 76 HA HIS 11 HA HIS 11 2.366 -15.567 3.689 77 HB2 HIS 11 HB2 HIS 11 3.692 -16.726 2.163 78 HB3 HIS 11 HB3 HIS 11 2.953 -15.994 0.750 79 HD1 HIS 11 HD1 HIS 11 4.119 -13.872 -0.266 80 HD2 HIS 11 HD2 HIS 11 5.301 -14.835 3.674 81 HE1 HIS 11 HE1 HIS 11 5.969 -12.244 0.362 82 H MET 12 HN MET 12 2.845 -13.403 4.115 83 HA MET 12 HA MET 12 1.781 -11.339 2.366 84 HB2 MET 12 HB2 MET 12 0.147 -11.648 4.127 85 HB3 MET 12 HB3 MET 12 1.419 -11.612 5.381 86 HG2 MET 12 HG2 MET 12 1.927 -9.319 4.903 87 HG3 MET 12 HG3 MET 12 0.995 -9.411 3.414 88 HE1 MET 12 HE1 MET 12 -1.604 -9.725 3.330 89 HE2 MET 12 HE2 MET 12 -2.545 -8.584 4.317 90 HE3 MET 12 HE3 MET 12 -1.216 -7.992 3.308 91 H SER 13 HN SER 13 3.247 -9.796 2.063 92 HA SER 13 HA SER 13 5.939 -10.371 2.656 93 HB2 SER 13 HB2 SER 13 4.641 -9.263 0.613 94 HB3 SER 13 HB3 SER 13 5.068 -7.759 1.429 95 HG SER 13 HG SER 13 6.620 -8.638 -0.114 96 H LYS 14 HN LYS 14 7.464 -8.417 2.919 97 HA LYS 14 HA LYS 14 7.607 -7.557 5.613 98 HB2 LYS 14 HB2 LYS 14 9.548 -7.712 4.041 99 HB3 LYS 14 HB3 LYS 14 8.905 -6.352 3.133 100 HG2 LYS 14 HG2 LYS 14 10.602 -5.442 4.417 101 HG3 LYS 14 HG3 LYS 14 9.164 -4.908 5.218 102 HD2 LYS 14 HD2 LYS 14 10.094 -7.482 6.331 103 HD3 LYS 14 HD3 LYS 14 11.377 -6.266 6.343 104 HE2 LYS 14 HE2 LYS 14 9.790 -4.674 7.480 105 HE3 LYS 14 HE3 LYS 14 8.598 -5.994 7.566 106 HZ1 LYS 14 HZ1 LYS 14 10.506 -7.221 8.759 107 HZ2 LYS 14 HZ2 LYS 14 9.686 -6.060 9.598 108 HZ3 LYS 14 HZ3 LYS 14 11.159 -5.727 8.986 109 H TRP 15 HN TRP 15 6.392 -5.797 2.744 110 HA TRP 15 HA TRP 15 5.802 -3.432 4.437 111 HB2 TRP 15 HB2 TRP 15 6.018 -3.712 1.430 112 HB3 TRP 15 HB3 TRP 15 5.798 -2.229 2.329 113 HD1 TRP 15 HD1 TRP 15 8.459 -4.522 1.108 114 HE1 TRP 15 HE1 TRP 15 10.774 -3.804 1.877 115 HE3 TRP 15 HE3 TRP 15 7.013 -0.995 4.515 116 HZ2 TRP 15 HZ2 TRP 15 11.827 -1.657 3.625 117 HZ3 TRP 15 HZ3 TRP 15 8.678 0.362 5.710 118 HH2 TRP 15 HH2 TRP 15 11.122 -0.001 5.283 119 H GLU 16 HN GLU 16 4.066 -6.083 3.288 120 HA GLU 16 HA GLU 16 1.829 -4.866 2.036 121 HB2 GLU 16 HB2 GLU 16 2.467 -7.541 3.281 122 HB3 GLU 16 HB3 GLU 16 0.769 -7.136 3.032 123 HG2 GLU 16 HG2 GLU 16 1.318 -6.531 0.653 124 HG3 GLU 16 HG3 GLU 16 2.903 -7.293 0.945 125 H GLU 17 HN GLU 17 2.265 -5.950 5.469 126 HA GLU 17 HA GLU 17 -0.399 -5.143 6.200 127 HB2 GLU 17 HB2 GLU 17 1.934 -6.447 7.397 128 HB3 GLU 17 HB3 GLU 17 1.342 -5.214 8.490 129 HG2 GLU 17 HG2 GLU 17 -0.786 -6.953 7.256 130 HG3 GLU 17 HG3 GLU 17 0.392 -7.779 8.265 131 H ILE 18 HN ILE 18 2.780 -3.601 6.167 132 HA ILE 18 HA ILE 18 2.231 -1.334 7.790 133 HB ILE 18 HB ILE 18 4.164 -1.699 5.454 134 HG12 ILE 18 HG12 ILE 18 4.570 -2.011 8.460 135 HG13 ILE 18 HG13 ILE 18 4.505 -3.339 7.306 136 HG21 ILE 18 HG21 ILE 18 3.759 0.686 5.980 137 HG22 ILE 18 HG22 ILE 18 4.178 0.392 7.672 138 HG23 ILE 18 HG23 ILE 18 5.394 0.227 6.383 139 HD11 ILE 18 HD11 ILE 18 6.802 -2.947 7.846 140 HD12 ILE 18 HD12 ILE 18 6.537 -2.441 6.185 141 HD13 ILE 18 HD13 ILE 18 6.676 -1.224 7.478 142 H ALA 19 HN ALA 19 1.868 -1.943 4.264 143 HA ALA 19 HA ALA 19 0.782 0.624 3.710 144 HB1 ALA 19 HB1 ALA 19 0.098 -0.388 1.565 145 HB2 ALA 19 HB2 ALA 19 1.739 -0.907 1.985 146 HB3 ALA 19 HB3 ALA 19 0.371 -2.018 2.222 147 H VAL 20 HN VAL 20 -0.796 -2.376 4.895 148 HA VAL 20 HA VAL 20 -3.434 -1.448 4.084 149 HB VAL 20 HB VAL 20 -2.418 -3.799 5.731 150 HG11 VAL 20 HG11 VAL 20 -4.728 -4.711 5.648 151 HG12 VAL 20 HG12 VAL 20 -4.610 -3.293 6.689 152 HG13 VAL 20 HG13 VAL 20 -5.323 -3.142 5.065 153 HG21 VAL 20 HG21 VAL 20 -2.191 -3.737 3.212 154 HG22 VAL 20 HG22 VAL 20 -3.139 -5.102 3.813 155 HG23 VAL 20 HG23 VAL 20 -3.957 -3.692 3.090 156 H LYS 21 HN LYS 21 -1.572 -1.531 7.211 157 HA LYS 21 HA LYS 21 -3.740 -0.434 8.709 158 HB2 LYS 21 HB2 LYS 21 -2.078 0.251 10.388 159 HB3 LYS 21 HB3 LYS 21 -2.100 -1.459 9.942 160 HG2 LYS 21 HG2 LYS 21 -0.238 -0.958 8.341 161 HG3 LYS 21 HG3 LYS 21 -0.117 0.645 8.936 162 HD2 LYS 21 HD2 LYS 21 1.586 -0.870 9.857 163 HD3 LYS 21 HD3 LYS 21 0.564 -0.203 11.140 164 HE2 LYS 21 HE2 LYS 21 -0.743 -2.302 11.217 165 HE3 LYS 21 HE3 LYS 21 0.181 -2.953 9.847 166 HZ1 LYS 21 HZ1 LYS 21 1.341 -2.268 12.485 167 HZ2 LYS 21 HZ2 LYS 21 2.132 -2.949 11.223 168 HZ3 LYS 21 HZ3 LYS 21 0.963 -3.793 11.958 169 H GLU 22 HN GLU 22 -1.020 1.158 6.933 170 HA GLU 22 HA GLU 22 -1.800 3.764 7.747 171 HB2 GLU 22 HB2 GLU 22 -0.134 2.825 5.442 172 HB3 GLU 22 HB3 GLU 22 -0.552 4.521 5.771 173 HG2 GLU 22 HG2 GLU 22 0.289 3.325 8.250 174 HG3 GLU 22 HG3 GLU 22 1.485 2.980 7.036 175 H ALA 23 HN ALA 23 -2.727 1.824 4.897 176 HA ALA 23 HA ALA 23 -4.454 3.740 3.747 177 HB1 ALA 23 HB1 ALA 23 -4.474 0.716 3.554 178 HB2 ALA 23 HB2 ALA 23 -5.286 1.836 2.439 179 HB3 ALA 23 HB3 ALA 23 -3.516 1.826 2.544 180 H LYS 24 HN LYS 24 -5.000 2.211 6.757 181 HA LYS 24 HA LYS 24 -7.914 2.874 6.424 182 HB2 LYS 24 HB2 LYS 24 -8.662 1.276 7.791 183 HB3 LYS 24 HB3 LYS 24 -7.502 0.483 6.731 184 HG2 LYS 24 HG2 LYS 24 -5.806 0.572 8.609 185 HG3 LYS 24 HG3 LYS 24 -7.078 1.332 9.582 186 HD2 LYS 24 HD2 LYS 24 -7.145 -0.966 10.203 187 HD3 LYS 24 HD3 LYS 24 -8.497 -0.767 9.071 188 HE2 LYS 24 HE2 LYS 24 -6.778 -1.559 7.258 189 HE3 LYS 24 HE3 LYS 24 -5.780 -2.059 8.621 190 HZ1 LYS 24 HZ1 LYS 24 -8.491 -3.062 7.960 191 HZ2 LYS 24 HZ2 LYS 24 -7.682 -3.456 9.344 192 HZ3 LYS 24 HZ3 LYS 24 -7.082 -3.897 7.887 193 H LYS 25 HN LYS 25 -5.017 3.280 8.430 194 HA LYS 25 HA LYS 25 -6.462 4.631 10.561 195 HB2 LYS 25 HB2 LYS 25 -4.281 5.218 11.456 196 HB3 LYS 25 HB3 LYS 25 -4.336 3.529 10.962 197 HG2 LYS 25 HG2 LYS 25 -2.294 4.079 10.114 198 HG3 LYS 25 HG3 LYS 25 -3.338 4.468 8.755 199 HD2 LYS 25 HD2 LYS 25 -2.362 6.426 8.622 200 HD3 LYS 25 HD3 LYS 25 -3.232 6.906 10.089 201 HE2 LYS 25 HE2 LYS 25 -1.382 6.500 11.477 202 HE3 LYS 25 HE3 LYS 25 -0.640 5.380 10.322 203 HZ1 LYS 25 HZ1 LYS 25 -0.056 7.121 8.922 204 HZ2 LYS 25 HZ2 LYS 25 0.505 7.458 10.407 205 HZ3 LYS 25 HZ3 LYS 25 -0.822 8.279 9.844 206 H ARG 26 HN ARG 26 -4.786 5.694 7.646 207 HA ARG 26 HA ARG 26 -5.006 8.524 8.081 208 HB2 ARG 26 HB2 ARG 26 -3.488 7.270 6.463 209 HB3 ARG 26 HB3 ARG 26 -4.900 7.060 5.441 210 HG2 ARG 26 HG2 ARG 26 -4.125 8.908 4.456 211 HG3 ARG 26 HG3 ARG 26 -4.979 9.782 5.697 212 HD2 ARG 26 HD2 ARG 26 -2.887 9.993 7.011 213 HD3 ARG 26 HD3 ARG 26 -2.027 9.010 5.820 214 HE ARG 26 HE ARG 26 -1.919 10.781 4.356 215 HH11 ARG 26 HH11 ARG 26 -4.148 11.741 7.031 216 HH12 ARG 26 HH12 ARG 26 -4.208 13.375 6.473 217 HH21 ARG 26 HH21 ARG 26 -2.568 12.747 3.429 218 HH22 ARG 26 HH22 ARG 26 -3.810 13.640 4.173 219 H TYR 27 HN TYR 27 -7.623 6.293 7.689 220 HA TYR 27 HA TYR 27 -9.238 8.189 6.118 221 HB2 TYR 27 HB2 TYR 27 -8.757 5.230 5.553 222 HB3 TYR 27 HB3 TYR 27 -10.054 6.180 4.845 223 HD1 TYR 27 HD2 TYR 27 -9.581 8.139 3.412 224 HD2 TYR 27 HD1 TYR 27 -6.571 5.290 4.542 225 HE1 TYR 27 HE2 TYR 27 -8.102 8.987 1.602 226 HE2 TYR 27 HE1 TYR 27 -5.135 6.016 2.664 227 HH TYR 27 HH TYR 27 -5.280 7.304 0.496 228 HA PRO 28 HA PRO 28 -11.330 6.409 9.850 229 HB2 PRO 28 HB2 PRO 28 -12.274 8.780 10.910 230 HB3 PRO 28 HB3 PRO 28 -10.638 8.116 11.218 231 HG2 PRO 28 HG2 PRO 28 -11.447 10.270 9.252 232 HG3 PRO 28 HG3 PRO 28 -9.974 10.146 10.277 233 HD2 PRO 28 HD2 PRO 28 -9.929 9.560 7.677 234 HD3 PRO 28 HD3 PRO 28 -8.865 8.820 8.913 235 H LEU 29 HN LEU 29 -12.395 8.360 7.178 236 HA LEU 29 HA LEU 29 -15.263 8.097 7.689 237 HB2 LEU 29 HB2 LEU 29 -13.615 8.991 5.321 238 HB3 LEU 29 HB3 LEU 29 -15.330 8.761 5.169 239 HG LEU 29 HG LEU 29 -14.720 11.076 5.499 240 HD11 LEU 29 HD11 LEU 29 -16.416 10.031 7.794 241 HD12 LEU 29 HD12 LEU 29 -16.966 10.270 6.117 242 HD13 LEU 29 HD13 LEU 29 -16.458 11.652 7.080 243 HD21 LEU 29 HD21 LEU 29 -12.818 10.816 7.047 244 HD22 LEU 29 HD22 LEU 29 -13.946 10.360 8.343 245 HD23 LEU 29 HD23 LEU 29 -14.021 11.971 7.627 246 H ALA 30 HN ALA 30 -12.879 5.822 6.517 247 HA ALA 30 HA ALA 30 -14.866 4.493 4.748 248 HB1 ALA 30 HB1 ALA 30 -13.120 4.466 2.973 249 HB2 ALA 30 HB2 ALA 30 -13.639 6.105 3.397 250 HB3 ALA 30 HB3 ALA 30 -12.087 5.509 3.992 251 H GLN 31 HN GLN 31 -13.955 2.409 3.883 252 HA GLN 31 HA GLN 31 -12.548 0.961 6.103 253 HB2 GLN 31 HB2 GLN 31 -14.854 -0.121 4.463 254 HB3 GLN 31 HB3 GLN 31 -14.014 -0.934 5.761 255 HG2 GLN 31 HG2 GLN 31 -15.447 -0.140 7.257 256 HG3 GLN 31 HG3 GLN 31 -14.947 1.510 6.908 257 HE21 GLN 31 HE21 GLN 31 -15.961 1.642 4.197 258 HE22 GLN 31 HE22 GLN 31 -17.720 1.474 4.267 259 H VAL 32 HN VAL 32 -10.725 0.113 5.410 260 HA VAL 32 HA VAL 32 -10.194 -0.269 2.583 261 HB VAL 32 HB VAL 32 -8.528 0.451 4.309 262 HG11 VAL 32 HG11 VAL 32 -8.650 -1.403 5.916 263 HG12 VAL 32 HG12 VAL 32 -8.092 -2.542 4.652 264 HG13 VAL 32 HG13 VAL 32 -7.023 -1.255 5.232 265 HG21 VAL 32 HG21 VAL 32 -7.659 -1.742 2.380 266 HG22 VAL 32 HG22 VAL 32 -8.090 -0.082 1.940 267 HG23 VAL 32 HG23 VAL 32 -6.693 -0.351 2.964 268 H LEU 33 HN LEU 33 -10.721 -1.960 1.353 269 HA LEU 33 HA LEU 33 -11.666 -4.432 2.750 270 HB2 LEU 33 HB2 LEU 33 -12.263 -3.534 -0.078 271 HB3 LEU 33 HB3 LEU 33 -13.079 -4.750 0.898 272 HG LEU 33 HG LEU 33 -13.238 -1.739 1.187 273 HD11 LEU 33 HD11 LEU 33 -15.656 -2.312 0.760 274 HD12 LEU 33 HD12 LEU 33 -15.159 -3.972 0.419 275 HD13 LEU 33 HD13 LEU 33 -14.558 -2.635 -0.607 276 HD21 LEU 33 HD21 LEU 33 -14.445 -3.864 3.007 277 HD22 LEU 33 HD22 LEU 33 -14.852 -2.145 3.019 278 HD23 LEU 33 HD23 LEU 33 -13.225 -2.634 3.476 279 H PHE 34 HN PHE 34 -9.102 -3.372 0.776 280 HA PHE 34 HA PHE 34 -9.106 -5.872 -0.869 281 HB2 PHE 34 HB2 PHE 34 -9.618 -3.203 -1.598 282 HB3 PHE 34 HB3 PHE 34 -7.969 -3.472 -2.128 283 HD1 PHE 34 HD2 PHE 34 -11.507 -4.533 -2.471 284 HD2 PHE 34 HD1 PHE 34 -7.492 -4.975 -4.024 285 HE1 PHE 34 HE2 PHE 34 -12.394 -5.700 -4.461 286 HE2 PHE 34 HE1 PHE 34 -8.400 -6.150 -6.001 287 HZ PHE 34 HZ PHE 34 -10.837 -6.527 -6.213 288 H LYS 35 HN LYS 35 -6.945 -6.090 -2.101 289 HA LYS 35 HA LYS 35 -4.542 -5.100 -0.755 290 HB2 LYS 35 HB2 LYS 35 -5.107 -8.104 -0.909 291 HB3 LYS 35 HB3 LYS 35 -3.647 -7.336 -0.320 292 HG2 LYS 35 HG2 LYS 35 -5.002 -6.321 1.565 293 HG3 LYS 35 HG3 LYS 35 -6.388 -7.263 0.987 294 HD2 LYS 35 HD2 LYS 35 -4.655 -9.279 1.236 295 HD3 LYS 35 HD3 LYS 35 -3.903 -8.182 2.389 296 HE2 LYS 35 HE2 LYS 35 -6.822 -9.143 2.427 297 HE3 LYS 35 HE3 LYS 35 -5.530 -9.798 3.429 298 HZ1 LYS 35 HZ1 LYS 35 -6.973 -8.220 4.568 299 HZ2 LYS 35 HZ2 LYS 35 -6.517 -7.011 3.577 300 HZ3 LYS 35 HZ3 LYS 35 -5.419 -7.716 4.595 301 H GLN 36 HN GLN 36 -3.812 -4.155 -2.823 302 HA GLN 36 HA GLN 36 -3.500 -6.082 -5.043 303 HB2 GLN 36 HB2 GLN 36 -5.422 -4.218 -5.239 304 HB3 GLN 36 HB3 GLN 36 -4.049 -3.168 -5.582 305 HG2 GLN 36 HG2 GLN 36 -3.482 -5.201 -7.286 306 HG3 GLN 36 HG3 GLN 36 -5.233 -5.364 -7.223 307 HE21 GLN 36 HE21 GLN 36 -6.272 -2.799 -7.293 308 HE22 GLN 36 HE22 GLN 36 -5.647 -1.943 -8.673 309 H LYS 37 HN LYS 37 -1.725 -5.440 -6.511 310 HA LYS 37 HA LYS 37 0.628 -4.556 -5.004 311 HB2 LYS 37 HB2 LYS 37 1.862 -5.428 -6.942 312 HB3 LYS 37 HB3 LYS 37 0.671 -6.609 -6.402 313 HG2 LYS 37 HG2 LYS 37 -0.879 -5.883 -8.221 314 HG3 LYS 37 HG3 LYS 37 0.307 -4.689 -8.753 315 HD2 LYS 37 HD2 LYS 37 1.929 -6.521 -9.191 316 HD3 LYS 37 HD3 LYS 37 0.681 -7.711 -8.750 317 HE2 LYS 37 HE2 LYS 37 -0.750 -7.009 -10.571 318 HE3 LYS 37 HE3 LYS 37 0.276 -5.608 -10.911 319 HZ1 LYS 37 HZ1 LYS 37 0.754 -7.322 -12.476 320 HZ2 LYS 37 HZ2 LYS 37 1.062 -8.431 -11.289 321 HZ3 LYS 37 HZ3 LYS 37 2.058 -7.151 -11.488 322 H VAL 38 HN VAL 38 2.301 -3.291 -6.641 323 HA VAL 38 HA VAL 38 0.950 -1.452 -8.419 324 HB VAL 38 HB VAL 38 3.093 -0.259 -6.700 325 HG11 VAL 38 HG11 VAL 38 2.035 0.900 -8.796 326 HG12 VAL 38 HG12 VAL 38 0.635 1.157 -7.739 327 HG13 VAL 38 HG13 VAL 38 2.220 1.820 -7.319 328 HG21 VAL 38 HG21 VAL 38 1.600 -0.995 -4.969 329 HG22 VAL 38 HG22 VAL 38 1.568 0.751 -5.137 330 HG23 VAL 38 HG23 VAL 38 0.216 -0.216 -5.784 331 H TRP 39 HN TRP 39 3.081 -0.192 -9.478 332 HA TRP 39 HA TRP 39 5.186 -1.917 -10.419 333 HB2 TRP 39 HB2 TRP 39 4.492 0.155 -11.559 334 HB3 TRP 39 HB3 TRP 39 4.790 1.095 -10.104 335 HD1 TRP 39 HD1 TRP 39 6.745 -0.911 -12.742 336 HE1 TRP 39 HE1 TRP 39 8.998 0.211 -13.132 337 HE3 TRP 39 HE3 TRP 39 6.593 2.585 -8.981 338 HZ2 TRP 39 HZ2 TRP 39 10.382 2.581 -12.203 339 HZ3 TRP 39 HZ3 TRP 39 8.415 4.224 -8.738 340 HH2 TRP 39 HH2 TRP 39 10.301 4.272 -10.375 341 H ASP 40 HN ASP 40 7.113 -2.358 -9.291 342 HA ASP 40 HA ASP 40 7.703 -0.929 -6.738 343 HB2 ASP 40 HB2 ASP 40 7.954 -3.896 -7.266 344 HB3 ASP 40 HB3 ASP 40 8.681 -3.051 -5.903 345 H ARG 41 HN ARG 41 10.011 -0.714 -6.450 346 HA ARG 41 HA ARG 41 11.741 -1.194 -8.823 347 HB2 ARG 41 HB2 ARG 41 10.517 0.713 -9.494 348 HB3 ARG 41 HB3 ARG 41 10.410 1.365 -7.876 349 HG2 ARG 41 HG2 ARG 41 11.751 2.758 -9.213 350 HG3 ARG 41 HG3 ARG 41 12.747 2.078 -7.935 351 HD2 ARG 41 HD2 ARG 41 14.069 0.946 -9.376 352 HD3 ARG 41 HD3 ARG 41 12.751 0.569 -10.515 353 HE ARG 41 HE ARG 41 13.982 3.279 -10.233 354 HH11 ARG 41 HH11 ARG 41 12.792 0.810 -12.494 355 HH12 ARG 41 HH12 ARG 41 12.400 1.976 -13.717 356 HH21 ARG 41 HH21 ARG 41 13.643 4.685 -11.726 357 HH22 ARG 41 HH22 ARG 41 13.224 4.332 -13.367 358 H LYS 42 HN LYS 42 14.090 -0.924 -8.250 359 HA LYS 42 HA LYS 42 14.577 0.180 -5.619 360 HB2 LYS 42 HB2 LYS 42 14.264 -2.358 -5.517 361 HB3 LYS 42 HB3 LYS 42 15.706 -2.516 -6.513 362 HG2 LYS 42 HG2 LYS 42 16.049 -0.772 -4.171 363 HG3 LYS 42 HG3 LYS 42 15.506 -2.383 -3.711 364 HD2 LYS 42 HD2 LYS 42 17.888 -1.844 -5.501 365 HD3 LYS 42 HD3 LYS 42 18.034 -2.061 -3.756 366 HE2 LYS 42 HE2 LYS 42 17.512 -4.340 -3.846 367 HE3 LYS 42 HE3 LYS 42 16.555 -4.162 -5.325 368 HZ1 LYS 42 HZ1 LYS 42 18.636 -3.713 -6.503 369 HZ2 LYS 42 HZ2 LYS 42 18.503 -5.230 -5.923 370 HZ3 LYS 42 HZ3 LYS 42 19.497 -4.145 -5.155 371 H ARG 43 HN ARG 43 16.804 0.719 -5.248 372 HA ARG 43 HA ARG 43 18.311 1.488 -7.679 373 HB2 ARG 43 HB2 ARG 43 17.817 3.260 -5.251 374 HB3 ARG 43 HB3 ARG 43 18.581 3.717 -6.765 375 HG2 ARG 43 HG2 ARG 43 15.641 2.985 -6.408 376 HG3 ARG 43 HG3 ARG 43 16.283 4.616 -6.530 377 HD2 ARG 43 HD2 ARG 43 16.736 2.556 -8.736 378 HD3 ARG 43 HD3 ARG 43 15.285 3.545 -8.638 379 HE ARG 43 HE ARG 43 17.141 5.449 -8.425 380 HH11 ARG 43 HH11 ARG 43 17.244 2.760 -10.777 381 HH12 ARG 43 HH12 ARG 43 17.624 3.840 -12.093 382 HH21 ARG 43 HH21 ARG 43 17.830 6.705 -10.071 383 HH22 ARG 43 HH22 ARG 43 17.985 6.124 -11.695 384 H LYS 44 HN LYS 44 20.511 2.630 -6.540 385 HA LYS 44 HA LYS 44 21.805 0.393 -5.293 386 HB2 LYS 44 HB2 LYS 44 22.913 2.184 -6.754 387 HB3 LYS 44 HB3 LYS 44 22.740 3.301 -5.401 388 HG2 LYS 44 HG2 LYS 44 24.902 2.496 -5.184 389 HG3 LYS 44 HG3 LYS 44 23.999 1.541 -3.992 390 HD2 LYS 44 HD2 LYS 44 23.863 -0.335 -5.599 391 HD3 LYS 44 HD3 LYS 44 24.759 0.619 -6.776 392 HE2 LYS 44 HE2 LYS 44 25.751 -0.370 -4.059 393 HE3 LYS 44 HE3 LYS 44 26.235 -0.993 -5.640 394 HZ1 LYS 44 HZ1 LYS 44 26.824 1.670 -4.514 395 HZ2 LYS 44 HZ2 LYS 44 27.176 1.243 -6.081 396 HZ3 LYS 44 HZ3 LYS 44 27.895 0.472 -4.821 397 H ASP 45 HN ASP 45 20.836 3.629 -4.184 398 HA ASP 45 HA ASP 45 20.922 2.786 -1.320 399 HB2 ASP 45 HB2 ASP 45 21.878 5.276 -2.767 400 HB3 ASP 45 HB3 ASP 45 21.515 5.300 -1.055 401 H GLU 46 HN GLU 46 18.569 2.542 -2.991 402 HA GLU 46 HA GLU 46 17.002 3.233 -0.966 403 HB2 GLU 46 HB2 GLU 46 17.001 5.604 -2.376 404 HB3 GLU 46 HB3 GLU 46 15.658 4.796 -3.154 405 HG2 GLU 46 HG2 GLU 46 14.454 4.572 -1.106 406 HG3 GLU 46 HG3 GLU 46 15.908 4.795 -0.125 407 H ALA 47 HN ALA 47 14.576 2.674 -1.450 408 HA ALA 47 HA ALA 47 14.130 0.943 -3.771 409 HB1 ALA 47 HB1 ALA 47 14.036 0.048 -0.872 410 HB2 ALA 47 HB2 ALA 47 13.528 -0.923 -2.280 411 HB3 ALA 47 HB3 ALA 47 15.239 -0.483 -2.044 412 H VAL 48 HN VAL 48 11.924 0.364 -4.002 413 HA VAL 48 HA VAL 48 9.955 1.891 -2.451 414 HB VAL 48 HB VAL 48 9.837 1.730 -5.498 415 HG11 VAL 48 HG11 VAL 48 8.476 3.759 -5.231 416 HG12 VAL 48 HG12 VAL 48 7.838 2.453 -4.227 417 HG13 VAL 48 HG13 VAL 48 8.814 3.757 -3.486 418 HG21 VAL 48 HG21 VAL 48 12.004 2.823 -5.188 419 HG22 VAL 48 HG22 VAL 48 10.794 3.980 -5.713 420 HG23 VAL 48 HG23 VAL 48 11.292 3.958 -4.010 421 H LYS 49 HN LYS 49 8.479 0.505 -1.671 422 HA LYS 49 HA LYS 49 7.667 -1.741 -3.347 423 HB2 LYS 49 HB2 LYS 49 9.814 -2.250 -2.005 424 HB3 LYS 49 HB3 LYS 49 8.774 -2.331 -0.589 425 HG2 LYS 49 HG2 LYS 49 8.005 -4.370 -1.194 426 HG3 LYS 49 HG3 LYS 49 7.641 -3.838 -2.851 427 HD2 LYS 49 HD2 LYS 49 9.804 -4.242 -3.636 428 HD3 LYS 49 HD3 LYS 49 10.497 -4.404 -1.996 429 HE2 LYS 49 HE2 LYS 49 9.467 -6.450 -1.580 430 HE3 LYS 49 HE3 LYS 49 8.199 -6.183 -2.790 431 HZ1 LYS 49 HZ1 LYS 49 9.723 -6.726 -4.515 432 HZ2 LYS 49 HZ2 LYS 49 9.697 -7.914 -3.417 433 HZ3 LYS 49 HZ3 LYS 49 10.983 -6.921 -3.413 434 H GLN 50 HN GLN 50 5.467 -1.607 -3.256 435 HA GLN 50 HA GLN 50 4.112 -0.955 -0.774 436 HB2 GLN 50 HB2 GLN 50 3.135 1.206 -2.039 437 HB3 GLN 50 HB3 GLN 50 4.462 1.233 -0.909 438 HG2 GLN 50 HG2 GLN 50 4.977 2.666 -2.708 439 HG3 GLN 50 HG3 GLN 50 6.100 1.329 -2.760 440 HE21 GLN 50 HE21 GLN 50 5.604 -0.491 -4.639 441 HE22 GLN 50 HE22 GLN 50 4.986 0.281 -6.024 442 H TYR 51 HN TYR 51 1.717 -0.200 -1.525 443 HA TYR 51 HA TYR 51 0.721 -2.264 -3.380 444 HB2 TYR 51 HB2 TYR 51 0.103 -2.026 -0.406 445 HB3 TYR 51 HB3 TYR 51 -0.848 -2.980 -1.534 446 HD1 TYR 51 HD1 TYR 51 2.385 -2.715 0.216 447 HD2 TYR 51 HD2 TYR 51 0.057 -5.036 -2.551 448 HE1 TYR 51 HE1 TYR 51 4.177 -4.461 0.161 449 HE2 TYR 51 HE2 TYR 51 1.780 -6.789 -2.589 450 HH TYR 51 HH TYR 51 3.665 -7.510 -1.656 451 H HIS 52 HN HIS 52 -1.526 -1.877 -3.871 452 HA HIS 52 HA HIS 52 -2.506 0.901 -3.447 453 HB2 HIS 52 HB2 HIS 52 -1.945 0.518 -5.821 454 HB3 HIS 52 HB3 HIS 52 -2.877 -0.979 -5.826 455 HD1 HIS 52 HD1 HIS 52 -3.355 2.837 -5.903 456 HD2 HIS 52 HD2 HIS 52 -5.585 -0.750 -5.946 457 HE1 HIS 52 HE1 HIS 52 -5.671 3.466 -6.590 458 H LEU 53 HN LEU 53 -4.354 0.834 -2.186 459 HA LEU 53 HA LEU 53 -5.767 -1.779 -1.930 460 HB2 LEU 53 HB2 LEU 53 -5.419 0.538 -0.006 461 HB3 LEU 53 HB3 LEU 53 -6.313 -0.936 0.319 462 HG LEU 53 HG LEU 53 -4.372 -0.990 1.510 463 HD11 LEU 53 HD11 LEU 53 -3.026 -2.911 0.746 464 HD12 LEU 53 HD12 LEU 53 -3.700 -2.729 -0.887 465 HD13 LEU 53 HD13 LEU 53 -4.750 -3.167 0.485 466 HD21 LEU 53 HD21 LEU 53 -3.190 0.801 0.320 467 HD22 LEU 53 HD22 LEU 53 -2.478 -0.457 -0.746 468 HD23 LEU 53 HD23 LEU 53 -2.193 -0.511 1.003 469 H THR 54 HN THR 54 -8.078 -1.665 -2.014 470 HA THR 54 HA THR 54 -9.267 0.930 -2.794 471 HB THR 54 HB THR 54 -10.275 -1.895 -3.086 472 HG1 THR 54 HG1 THR 54 -9.671 -0.084 -5.145 473 HG21 THR 54 HG21 THR 54 -11.667 0.663 -3.949 474 HG22 THR 54 HG22 THR 54 -12.215 -0.548 -2.780 475 HG23 THR 54 HG23 THR 54 -12.100 -0.982 -4.469 476 H LEU 55 HN LEU 55 -10.096 1.989 -1.275 477 HA LEU 55 HA LEU 55 -11.195 0.852 1.222 478 HB2 LEU 55 HB2 LEU 55 -10.712 3.692 0.259 479 HB3 LEU 55 HB3 LEU 55 -11.746 3.365 1.612 480 HG LEU 55 HG LEU 55 -9.280 1.890 1.979 481 HD11 LEU 55 HD11 LEU 55 -8.839 4.897 1.977 482 HD12 LEU 55 HD12 LEU 55 -8.426 3.914 0.589 483 HD13 LEU 55 HD13 LEU 55 -7.649 3.575 2.123 484 HD21 LEU 55 HD21 LEU 55 -10.938 2.540 3.715 485 HD22 LEU 55 HD22 LEU 55 -10.289 4.193 3.606 486 HD23 LEU 55 HD23 LEU 55 -9.236 2.850 4.084 487 H ARG 56 HN ARG 56 -13.397 1.564 1.764 488 HA ARG 56 HA ARG 56 -15.199 2.290 -0.535 489 HB2 ARG 56 HB2 ARG 56 -15.136 -0.174 -0.096 490 HB3 ARG 56 HB3 ARG 56 -15.565 0.113 1.613 491 HG2 ARG 56 HG2 ARG 56 -17.672 1.142 0.899 492 HG3 ARG 56 HG3 ARG 56 -17.192 0.916 -0.810 493 HD2 ARG 56 HD2 ARG 56 -17.319 -1.490 -0.586 494 HD3 ARG 56 HD3 ARG 56 -17.628 -1.348 1.161 495 HE ARG 56 HE ARG 56 -19.756 -0.504 0.783 496 HH11 ARG 56 HH11 ARG 56 -18.188 -1.176 -2.461 497 HH12 ARG 56 HH12 ARG 56 -19.668 -0.740 -3.243 498 HH21 ARG 56 HH21 ARG 56 -21.629 -0.009 -0.483 499 HH22 ARG 56 HH22 ARG 56 -21.534 -0.220 -2.208 500 H GLU 57 HN GLU 57 -16.404 3.991 -0.079 501 HA GLU 57 HA GLU 57 -16.903 4.754 2.777 502 HB2 GLU 57 HB2 GLU 57 -15.593 6.451 1.792 503 HB3 GLU 57 HB3 GLU 57 -16.491 6.418 0.273 504 HG2 GLU 57 HG2 GLU 57 -17.958 7.085 2.831 505 HG3 GLU 57 HG3 GLU 57 -16.883 8.277 2.148 506 H GLY 58 HN GLY 58 -18.965 4.023 3.188 507 HA2 GLY 58 HA1 GLY 58 -21.242 3.841 3.054 508 HA3 GLY 58 HA2 GLY 58 -21.114 5.322 2.113 509 H SER 59 HN SER 59 -21.243 5.200 -0.157 510 HA SER 59 HA SER 59 -21.852 2.596 -1.455 511 HB2 SER 59 HB2 SER 59 -23.427 5.154 -1.873 512 HB3 SER 59 HB3 SER 59 -23.680 3.608 -2.699 513 HG SER 59 HG SER 59 -23.978 4.146 0.080 514 H LYS 60 HN LYS 60 -19.549 4.801 -1.419 515 HA LYS 60 HA LYS 60 -19.075 4.989 -4.345 516 HB2 LYS 60 HB2 LYS 60 -18.975 7.126 -3.249 517 HB3 LYS 60 HB3 LYS 60 -18.085 6.466 -1.873 518 HG2 LYS 60 HG2 LYS 60 -16.116 6.100 -3.230 519 HG3 LYS 60 HG3 LYS 60 -16.945 6.673 -4.668 520 HD2 LYS 60 HD2 LYS 60 -16.262 8.292 -2.173 521 HD3 LYS 60 HD3 LYS 60 -15.387 8.322 -3.712 522 HE2 LYS 60 HE2 LYS 60 -18.028 8.843 -4.458 523 HE3 LYS 60 HE3 LYS 60 -17.883 9.658 -2.895 524 HZ1 LYS 60 HZ1 LYS 60 -16.226 10.068 -5.302 525 HZ2 LYS 60 HZ2 LYS 60 -15.832 10.734 -3.875 526 HZ3 LYS 60 HZ3 LYS 60 -17.223 11.179 -4.619 527 H GLU 61 HN GLU 61 -16.975 4.241 -5.084 528 HA GLU 61 HA GLU 61 -15.201 3.074 -3.054 529 HB2 GLU 61 HB2 GLU 61 -16.118 1.676 -5.543 530 HB3 GLU 61 HB3 GLU 61 -14.439 1.472 -4.993 531 HG2 GLU 61 HG2 GLU 61 -15.156 0.738 -2.789 532 HG3 GLU 61 HG3 GLU 61 -16.842 1.057 -3.182 533 H PHE 62 HN PHE 62 -12.964 3.356 -3.565 534 HA PHE 62 HA PHE 62 -12.082 4.908 -5.809 535 HB2 PHE 62 HB2 PHE 62 -11.145 6.765 -4.543 536 HB3 PHE 62 HB3 PHE 62 -12.871 6.762 -4.545 537 HD1 PHE 62 HD1 PHE 62 -9.912 6.260 -2.310 538 HD2 PHE 62 HD2 PHE 62 -14.188 6.300 -2.454 539 HE1 PHE 62 HE1 PHE 62 -9.993 6.555 0.136 540 HE2 PHE 62 HE2 PHE 62 -14.279 6.805 -0.073 541 HZ PHE 62 HZ PHE 62 -12.179 6.849 1.282 542 H GLY 63 HN GLY 63 -9.560 5.046 -5.628 543 HA2 GLY 63 HA1 GLY 63 -8.482 2.775 -4.011 544 HA3 GLY 63 HA2 GLY 63 -8.166 2.970 -5.725 545 H VAL 64 HN VAL 64 -6.663 3.187 -2.892 546 HA VAL 64 HA VAL 64 -5.379 5.848 -3.345 547 HB VAL 64 HB VAL 64 -4.879 5.804 -0.897 548 HG11 VAL 64 HG11 VAL 64 -7.745 5.686 -1.866 549 HG12 VAL 64 HG12 VAL 64 -7.366 6.017 -0.166 550 HG13 VAL 64 HG13 VAL 64 -6.757 7.052 -1.446 551 HG21 VAL 64 HG21 VAL 64 -6.063 4.301 0.600 552 HG22 VAL 64 HG22 VAL 64 -6.630 3.402 -0.816 553 HG23 VAL 64 HG23 VAL 64 -4.901 3.413 -0.426 554 H PHE 65 HN PHE 65 -3.169 6.141 -3.119 555 HA PHE 65 HA PHE 65 -1.571 3.674 -3.611 556 HB2 PHE 65 HB2 PHE 65 -1.182 6.512 -4.601 557 HB3 PHE 65 HB3 PHE 65 -0.003 5.245 -4.776 558 HD1 PHE 65 HD1 PHE 65 -0.710 3.096 -6.074 559 HD2 PHE 65 HD2 PHE 65 -2.911 6.796 -6.167 560 HE1 PHE 65 HE1 PHE 65 -1.774 2.421 -8.235 561 HE2 PHE 65 HE2 PHE 65 -3.989 6.116 -8.289 562 HZ PHE 65 HZ PHE 65 -3.431 3.923 -9.319 563 H VAL 66 HN VAL 66 -0.866 3.124 -1.633 564 HA VAL 66 HA VAL 66 0.213 4.960 0.340 565 HB VAL 66 HB VAL 66 0.631 1.964 -0.090 566 HG11 VAL 66 HG11 VAL 66 2.351 3.069 1.379 567 HG12 VAL 66 HG12 VAL 66 1.058 3.582 2.463 568 HG13 VAL 66 HG13 VAL 66 1.390 1.857 2.185 569 HG21 VAL 66 HG21 VAL 66 -1.352 3.407 1.740 570 HG22 VAL 66 HG22 VAL 66 -1.760 2.503 0.277 571 HG23 VAL 66 HG23 VAL 66 -1.077 1.661 1.670 572 H THR 67 HN THR 67 2.362 5.713 0.529 573 HA THR 67 HA THR 67 4.232 5.028 -1.689 574 HB THR 67 HB THR 67 3.732 7.695 -0.305 575 HG1 THR 67 HG1 THR 67 1.973 6.841 -1.727 576 HG21 THR 67 HG21 THR 67 5.198 7.096 -2.903 577 HG22 THR 67 HG22 THR 67 5.956 7.456 -1.334 578 HG23 THR 67 HG23 THR 67 4.981 8.687 -2.137 579 H ILE 68 HN ILE 68 5.672 3.630 -0.519 580 HA ILE 68 HA ILE 68 6.672 4.529 2.164 581 HB ILE 68 HB ILE 68 6.686 1.730 0.970 582 HG12 ILE 68 HG12 ILE 68 4.812 2.832 3.097 583 HG13 ILE 68 HG13 ILE 68 4.376 2.407 1.443 584 HG21 ILE 68 HG21 ILE 68 8.479 2.182 2.668 585 HG22 ILE 68 HG22 ILE 68 7.230 2.689 3.827 586 HG23 ILE 68 HG23 ILE 68 7.295 1.015 3.250 587 HD11 ILE 68 HD11 ILE 68 3.615 0.637 2.862 588 HD12 ILE 68 HD12 ILE 68 4.960 0.021 1.879 589 HD13 ILE 68 HD13 ILE 68 5.196 0.431 3.600 590 H SER 69 HN SER 69 8.887 5.081 2.180 591 HA SER 69 HA SER 69 10.594 4.333 -0.148 592 HB2 SER 69 HB2 SER 69 11.200 6.624 1.727 593 HB3 SER 69 HB3 SER 69 11.747 6.373 0.085 594 HG SER 69 HG SER 69 9.652 7.005 -0.640 595 H PHE 70 HN PHE 70 12.493 3.133 0.435 596 HA PHE 70 HA PHE 70 13.423 3.347 3.185 597 HB2 PHE 70 HB2 PHE 70 13.403 0.960 3.619 598 HB3 PHE 70 HB3 PHE 70 11.771 1.511 3.324 599 HD1 PHE 70 HD2 PHE 70 10.950 1.245 0.767 600 HD2 PHE 70 HD1 PHE 70 14.245 -0.949 2.440 601 HE1 PHE 70 HE2 PHE 70 10.621 -0.515 -0.872 602 HE2 PHE 70 HE1 PHE 70 13.767 -2.844 0.883 603 HZ PHE 70 HZ PHE 70 11.887 -2.659 -0.713 604 H ASP 71 HN ASP 71 15.521 2.334 3.514 605 HA ASP 71 HA ASP 71 17.120 2.306 1.026 606 HB2 ASP 71 HB2 ASP 71 17.671 2.607 3.903 607 HB3 ASP 71 HB3 ASP 71 18.788 1.480 3.121 608 HA PRO 72 HA PRO 72 16.963 -2.190 0.950 609 HB2 PRO 72 HB2 PRO 72 18.845 -2.778 -0.890 610 HB3 PRO 72 HB3 PRO 72 17.324 -1.953 -1.332 611 HG2 PRO 72 HG2 PRO 72 20.021 -0.650 -0.772 612 HG3 PRO 72 HG3 PRO 72 18.950 -0.409 -2.194 613 HD2 PRO 72 HD2 PRO 72 18.893 1.269 -0.070 614 HD3 PRO 72 HD3 PRO 72 17.393 0.826 -0.930 615 H TYR 73 HN TYR 73 19.559 -0.285 2.164 616 HA TYR 73 HA TYR 73 21.544 -2.082 2.902 617 HB2 TYR 73 HB2 TYR 73 20.384 0.279 4.415 618 HB3 TYR 73 HB3 TYR 73 21.736 -0.653 5.005 619 HD1 TYR 73 HD1 TYR 73 20.779 1.057 1.731 620 HD2 TYR 73 HD2 TYR 73 23.817 0.325 4.712 621 HE1 TYR 73 HE1 TYR 73 22.279 2.506 0.515 622 HE2 TYR 73 HE2 TYR 73 25.385 1.788 3.437 623 HH TYR 73 HH TYR 73 24.356 3.661 0.578 624 H SER 74 HN SER 74 18.722 -1.172 4.928 625 HA SER 74 HA SER 74 18.458 -3.931 5.975 626 HB2 SER 74 HB2 SER 74 18.712 -3.013 8.291 627 HB3 SER 74 HB3 SER 74 20.188 -2.951 7.329 628 HG SER 74 HG SER 74 19.541 -1.059 8.586 629 H GLN 75 HN GLN 75 16.674 -1.811 4.442 630 HA GLN 75 HA GLN 75 14.537 -1.093 4.475 631 HB2 GLN 75 HB2 GLN 75 14.138 -3.432 6.397 632 HB3 GLN 75 HB3 GLN 75 12.859 -2.327 5.974 633 HG2 GLN 75 HG2 GLN 75 12.358 -3.795 4.427 634 HG3 GLN 75 HG3 GLN 75 13.559 -2.942 3.477 635 HE21 GLN 75 HE21 GLN 75 15.853 -3.974 3.464 636 HE22 GLN 75 HE22 GLN 75 15.780 -5.725 3.436 637 H LYS 76 HN LYS 76 16.200 0.640 5.583 638 HA LYS 76 HA LYS 76 14.969 1.564 8.105 639 HB2 LYS 76 HB2 LYS 76 17.267 2.523 6.377 640 HB3 LYS 76 HB3 LYS 76 16.334 3.683 7.316 641 HG2 LYS 76 HG2 LYS 76 16.846 1.698 9.217 642 HG3 LYS 76 HG3 LYS 76 18.325 1.703 8.247 643 HD2 LYS 76 HD2 LYS 76 18.388 4.229 8.571 644 HD3 LYS 76 HD3 LYS 76 16.972 4.049 9.633 645 HE2 LYS 76 HE2 LYS 76 18.256 2.629 11.181 646 HE3 LYS 76 HE3 LYS 76 19.675 2.737 10.111 647 HZ1 LYS 76 HZ1 LYS 76 19.026 5.328 10.580 648 HZ2 LYS 76 HZ2 LYS 76 20.220 4.492 11.305 649 HZ3 LYS 76 HZ3 LYS 76 18.732 4.629 12.037 650 H VAL 77 HN VAL 77 13.085 2.539 7.947 651 HA VAL 77 HA VAL 77 11.826 3.223 5.429 652 HB VAL 77 HB VAL 77 11.046 3.958 8.279 653 HG11 VAL 77 HG11 VAL 77 8.785 4.135 7.378 654 HG12 VAL 77 HG12 VAL 77 9.860 5.255 6.537 655 HG13 VAL 77 HG13 VAL 77 9.370 3.750 5.742 656 HG21 VAL 77 HG21 VAL 77 11.247 1.540 8.210 657 HG22 VAL 77 HG22 VAL 77 9.541 1.994 8.243 658 HG23 VAL 77 HG23 VAL 77 10.288 1.488 6.712 659 H ASN 78 HN ASN 78 12.712 4.894 4.324 660 HA ASN 78 HA ASN 78 14.176 7.006 5.742 661 HB2 ASN 78 HB2 ASN 78 13.626 6.551 2.785 662 HB3 ASN 78 HB3 ASN 78 14.547 7.896 3.456 663 HD21 ASN 78 HD21 ASN 78 15.524 5.782 1.652 664 HD22 ASN 78 HD22 ASN 78 16.796 4.926 2.548 665 H LYS 79 HN LYS 79 11.167 6.673 3.847 666 HA LYS 79 HA LYS 79 9.965 8.754 5.383 667 HB2 LYS 79 HB2 LYS 79 11.280 9.682 3.042 668 HB3 LYS 79 HB3 LYS 79 9.597 9.514 2.551 669 HG2 LYS 79 HG2 LYS 79 9.046 10.723 4.809 670 HG3 LYS 79 HG3 LYS 79 10.760 11.157 4.836 671 HD2 LYS 79 HD2 LYS 79 8.760 11.763 2.623 672 HD3 LYS 79 HD3 LYS 79 9.269 12.899 3.884 673 HE2 LYS 79 HE2 LYS 79 11.599 12.792 3.033 674 HE3 LYS 79 HE3 LYS 79 11.073 11.684 1.751 675 HZ1 LYS 79 HZ1 LYS 79 10.116 14.448 2.153 676 HZ2 LYS 79 HZ2 LYS 79 9.553 13.399 0.994 677 HZ3 LYS 79 HZ3 LYS 79 11.109 13.938 0.953 678 H ILE 80 HN ILE 80 7.608 9.119 4.535 679 HA ILE 80 HA ILE 80 6.535 6.966 2.919 680 HB ILE 80 HB ILE 80 5.522 7.477 5.746 681 HG12 ILE 80 HG12 ILE 80 6.847 4.905 4.837 682 HG13 ILE 80 HG13 ILE 80 7.714 6.154 5.715 683 HG21 ILE 80 HG21 ILE 80 4.068 5.426 5.312 684 HG22 ILE 80 HG22 ILE 80 3.705 6.735 4.202 685 HG23 ILE 80 HG23 ILE 80 4.702 5.373 3.674 686 HD11 ILE 80 HD11 ILE 80 5.254 5.391 7.102 687 HD12 ILE 80 HD12 ILE 80 6.479 4.110 6.921 688 HD13 ILE 80 HD13 ILE 80 6.890 5.668 7.687 689 H ALA 81 HN ALA 81 4.429 7.616 2.111 690 HA ALA 81 HA ALA 81 3.053 9.902 3.238 691 HB1 ALA 81 HB1 ALA 81 3.784 9.866 0.264 692 HB2 ALA 81 HB2 ALA 81 2.679 11.001 1.054 693 HB3 ALA 81 HB3 ALA 81 4.397 11.006 1.471 694 H ILE 82 HN ILE 82 0.783 9.972 2.169 695 HA ILE 82 HA ILE 82 -0.089 7.337 1.067 696 HB ILE 82 HB ILE 82 -1.449 9.067 3.122 697 HG12 ILE 82 HG12 ILE 82 0.354 7.419 3.904 698 HG13 ILE 82 HG13 ILE 82 -1.223 7.302 4.607 699 HG21 ILE 82 HG21 ILE 82 -2.546 6.675 1.573 700 HG22 ILE 82 HG22 ILE 82 -3.259 7.331 3.062 701 HG23 ILE 82 HG23 ILE 82 -3.165 8.330 1.609 702 HD11 ILE 82 HD11 ILE 82 0.077 5.147 3.899 703 HD12 ILE 82 HD12 ILE 82 -1.694 5.228 3.730 704 HD13 ILE 82 HD13 ILE 82 -0.624 5.478 2.321 705 H LEU 83 HN LEU 83 -1.617 7.676 -0.770 706 HA LEU 83 HA LEU 83 -2.161 10.489 -1.558 707 HB2 LEU 83 HB2 LEU 83 -0.174 9.328 -2.706 708 HB3 LEU 83 HB3 LEU 83 -1.302 8.188 -3.340 709 HG LEU 83 HG LEU 83 -0.484 9.898 -4.882 710 HD11 LEU 83 HD11 LEU 83 -2.751 8.721 -5.153 711 HD12 LEU 83 HD12 LEU 83 -2.382 10.122 -6.154 712 HD13 LEU 83 HD13 LEU 83 -3.457 10.307 -4.771 713 HD21 LEU 83 HD21 LEU 83 -1.361 12.176 -4.857 714 HD22 LEU 83 HD22 LEU 83 -0.396 11.842 -3.406 715 HD23 LEU 83 HD23 LEU 83 -2.179 11.878 -3.317 716 H GLU 84 HN GLU 84 -4.177 10.731 -2.597 717 HA GLU 84 HA GLU 84 -5.943 8.359 -2.689 718 HB2 GLU 84 HB2 GLU 84 -6.222 10.243 -0.769 719 HB3 GLU 84 HB3 GLU 84 -7.004 11.092 -2.120 720 HG2 GLU 84 HG2 GLU 84 -8.456 8.889 -2.257 721 HG3 GLU 84 HG3 GLU 84 -7.909 8.662 -0.612 722 H GLU 85 HN GLU 85 -7.015 8.144 -4.439 723 HA GLU 85 HA GLU 85 -6.690 9.932 -6.777 724 HB2 GLU 85 HB2 GLU 85 -6.605 7.483 -7.165 725 HB3 GLU 85 HB3 GLU 85 -8.126 7.270 -6.355 726 HG2 GLU 85 HG2 GLU 85 -8.642 7.020 -8.555 727 HG3 GLU 85 HG3 GLU 85 -9.292 8.551 -8.115 728 H TYR 86 HN TYR 86 -8.548 10.952 -7.747 729 HA TYR 86 HA TYR 86 -11.057 11.204 -6.311 730 HB2 TYR 86 HB2 TYR 86 -10.752 13.753 -6.428 731 HB3 TYR 86 HB3 TYR 86 -9.959 12.887 -5.126 732 HD1 TYR 86 HD1 TYR 86 -9.294 14.357 -8.537 733 HD2 TYR 86 HD2 TYR 86 -7.626 13.055 -4.781 734 HE1 TYR 86 HE1 TYR 86 -7.111 15.290 -9.193 735 HE2 TYR 86 HE2 TYR 86 -5.424 13.951 -5.439 736 HH TYR 86 HH TYR 86 -4.853 15.480 -8.635 737 H GLN 87 HN GLN 87 -12.576 12.516 -7.679 738 HA GLN 87 HA GLN 87 -11.891 12.613 -10.557 739 HB2 GLN 87 HB2 GLN 87 -14.557 11.582 -9.514 740 HB3 GLN 87 HB3 GLN 87 -14.006 11.610 -11.169 741 HG2 GLN 87 HG2 GLN 87 -13.118 9.797 -8.913 742 HG3 GLN 87 HG3 GLN 87 -14.014 9.344 -10.361 743 HE21 GLN 87 HE21 GLN 87 -11.479 8.413 -9.130 744 HE22 GLN 87 HE22 GLN 87 -10.126 8.736 -10.179 Start of MODEL 24 1 H1 GLY 1 HN GLY 1 -16.704 -7.824 0.495 2 HA2 GLY 1 HA1 GLY 1 -18.123 -9.934 2.000 3 HA3 GLY 1 HA2 GLY 1 -17.531 -10.088 0.330 4 H GLU 2 HN GLU 2 -15.408 -10.752 0.000 5 HA GLU 2 HA GLU 2 -13.680 -11.291 2.312 6 HB2 GLU 2 HB2 GLU 2 -12.148 -12.221 0.665 7 HB3 GLU 2 HB3 GLU 2 -13.716 -12.971 0.514 8 HG2 GLU 2 HG2 GLU 2 -12.797 -10.721 -1.329 9 HG3 GLU 2 HG3 GLU 2 -12.447 -12.414 -1.630 10 H GLU 3 HN GLU 3 -11.366 -10.509 2.032 11 HA GLU 3 HA GLU 3 -11.095 -7.733 1.083 12 HB2 GLU 3 HB2 GLU 3 -9.108 -9.804 2.131 13 HB3 GLU 3 HB3 GLU 3 -8.599 -8.338 1.305 14 HG2 GLU 3 HG2 GLU 3 -8.451 -7.757 3.538 15 HG3 GLU 3 HG3 GLU 3 -9.952 -7.007 3.007 16 H THR 4 HN THR 4 -9.566 -10.901 0.120 17 HA THR 4 HA THR 4 -9.885 -10.051 -2.718 18 HB THR 4 HB THR 4 -7.496 -10.979 -2.975 19 HG1 THR 4 HG1 THR 4 -7.511 -11.727 -0.695 20 HG21 THR 4 HG21 THR 4 -8.080 -8.571 -3.186 21 HG22 THR 4 HG22 THR 4 -6.457 -8.847 -2.539 22 HG23 THR 4 HG23 THR 4 -7.779 -8.364 -1.446 23 HA PRO 5 HA PRO 5 -11.183 -14.216 -3.206 24 HB2 PRO 5 HB2 PRO 5 -10.919 -14.631 -5.895 25 HB3 PRO 5 HB3 PRO 5 -12.084 -13.461 -5.207 26 HG2 PRO 5 HG2 PRO 5 -9.295 -12.888 -6.274 27 HG3 PRO 5 HG3 PRO 5 -10.830 -12.055 -6.685 28 HD2 PRO 5 HD2 PRO 5 -9.149 -11.050 -4.809 29 HD3 PRO 5 HD3 PRO 5 -10.922 -10.976 -4.588 30 H LEU 6 HN LEU 6 -7.892 -13.408 -3.762 31 HA LEU 6 HA LEU 6 -6.842 -16.163 -3.982 32 HB2 LEU 6 HB2 LEU 6 -4.683 -15.072 -3.420 33 HB3 LEU 6 HB3 LEU 6 -5.399 -14.623 -4.939 34 HG LEU 6 HG LEU 6 -6.206 -12.801 -2.741 35 HD11 LEU 6 HD11 LEU 6 -4.073 -13.203 -1.855 36 HD12 LEU 6 HD12 LEU 6 -4.010 -11.628 -2.682 37 HD13 LEU 6 HD13 LEU 6 -3.278 -13.060 -3.443 38 HD21 LEU 6 HD21 LEU 6 -6.610 -12.331 -5.159 39 HD22 LEU 6 HD22 LEU 6 -4.865 -12.322 -5.442 40 HD23 LEU 6 HD23 LEU 6 -5.593 -11.086 -4.408 41 H VAL 7 HN VAL 7 -8.615 -16.520 -2.333 42 HA VAL 7 HA VAL 7 -7.873 -16.297 0.427 43 HB VAL 7 HB VAL 7 -9.797 -17.784 0.756 44 HG11 VAL 7 HG11 VAL 7 -11.483 -16.213 0.040 45 HG12 VAL 7 HG12 VAL 7 -10.034 -15.286 0.445 46 HG13 VAL 7 HG13 VAL 7 -10.458 -15.580 -1.251 47 HG21 VAL 7 HG21 VAL 7 -11.293 -18.322 -1.164 48 HG22 VAL 7 HG22 VAL 7 -10.013 -17.887 -2.293 49 HG23 VAL 7 HG23 VAL 7 -9.792 -19.246 -1.180 50 H THR 8 HN THR 8 -5.721 -17.271 -1.148 51 HA THR 8 HA THR 8 -5.124 -19.481 0.677 52 HB THR 8 HB THR 8 -5.912 -20.643 -1.350 53 HG1 THR 8 HG1 THR 8 -3.250 -20.776 -0.575 54 HG21 THR 8 HG21 THR 8 -4.676 -20.555 -3.462 55 HG22 THR 8 HG22 THR 8 -3.663 -19.239 -2.813 56 HG23 THR 8 HG23 THR 8 -5.395 -18.994 -3.054 57 H ALA 9 HN ALA 9 -4.270 -16.588 -0.153 58 HA ALA 9 HA ALA 9 -1.403 -16.922 -0.746 59 HB1 ALA 9 HB1 ALA 9 -2.542 -15.101 -1.854 60 HB2 ALA 9 HB2 ALA 9 -3.097 -14.452 -0.289 61 HB3 ALA 9 HB3 ALA 9 -1.368 -14.446 -0.695 62 H ARG 10 HN ARG 10 -0.922 -18.171 1.113 63 HA ARG 10 HA ARG 10 -1.236 -17.104 3.807 64 HB2 ARG 10 HB2 ARG 10 0.211 -19.026 4.404 65 HB3 ARG 10 HB3 ARG 10 -1.238 -19.506 3.537 66 HG2 ARG 10 HG2 ARG 10 -0.056 -20.487 1.876 67 HG3 ARG 10 HG3 ARG 10 0.959 -19.087 1.641 68 HD2 ARG 10 HD2 ARG 10 2.435 -20.830 2.242 69 HD3 ARG 10 HD3 ARG 10 2.344 -19.762 3.632 70 HE ARG 10 HE ARG 10 0.583 -21.392 4.515 71 HH11 ARG 10 HH11 ARG 10 3.165 -22.670 2.399 72 HH12 ARG 10 HH12 ARG 10 3.341 -24.126 3.332 73 HH21 ARG 10 HH21 ARG 10 0.601 -23.306 5.463 74 HH22 ARG 10 HH22 ARG 10 1.692 -24.603 5.029 75 H HIS 11 HN HIS 11 0.294 -16.096 5.002 76 HA HIS 11 HA HIS 11 2.001 -14.775 5.524 77 HB2 HIS 11 HB2 HIS 11 3.322 -16.904 4.767 78 HB3 HIS 11 HB3 HIS 11 3.770 -15.930 3.376 79 HD1 HIS 11 HD1 HIS 11 5.300 -13.625 4.059 80 HD2 HIS 11 HD2 HIS 11 4.655 -16.622 6.966 81 HE1 HIS 11 HE1 HIS 11 7.078 -13.311 5.842 82 H MET 12 HN MET 12 3.288 -12.883 4.706 83 HA MET 12 HA MET 12 2.383 -11.862 2.071 84 HB2 MET 12 HB2 MET 12 2.066 -10.658 4.840 85 HB3 MET 12 HB3 MET 12 2.277 -9.596 3.458 86 HG2 MET 12 HG2 MET 12 0.215 -11.784 3.496 87 HG3 MET 12 HG3 MET 12 -0.113 -10.148 4.066 88 HE1 MET 12 HE1 MET 12 -0.874 -8.442 2.841 89 HE2 MET 12 HE2 MET 12 -1.344 -8.473 1.120 90 HE3 MET 12 HE3 MET 12 -2.061 -9.633 2.271 91 H SER 13 HN SER 13 3.539 -9.896 1.564 92 HA SER 13 HA SER 13 6.457 -10.135 1.762 93 HB2 SER 13 HB2 SER 13 4.788 -9.005 -0.082 94 HB3 SER 13 HB3 SER 13 5.166 -7.584 0.892 95 HG SER 13 HG SER 13 6.856 -9.274 -0.559 96 H LYS 14 HN LYS 14 7.749 -8.138 2.431 97 HA LYS 14 HA LYS 14 7.417 -7.743 5.155 98 HB2 LYS 14 HB2 LYS 14 9.592 -7.389 3.988 99 HB3 LYS 14 HB3 LYS 14 8.948 -5.950 3.205 100 HG2 LYS 14 HG2 LYS 14 10.371 -5.326 5.078 101 HG3 LYS 14 HG3 LYS 14 8.722 -4.850 5.451 102 HD2 LYS 14 HD2 LYS 14 8.493 -7.025 6.792 103 HD3 LYS 14 HD3 LYS 14 10.215 -7.311 6.468 104 HE2 LYS 14 HE2 LYS 14 10.655 -5.069 7.589 105 HE3 LYS 14 HE3 LYS 14 8.937 -5.016 8.014 106 HZ1 LYS 14 HZ1 LYS 14 10.694 -7.278 8.748 107 HZ2 LYS 14 HZ2 LYS 14 9.180 -6.978 9.294 108 HZ3 LYS 14 HZ3 LYS 14 10.442 -6.007 9.742 109 H TRP 15 HN TRP 15 6.550 -5.388 2.587 110 HA TRP 15 HA TRP 15 5.565 -3.541 4.677 111 HB2 TRP 15 HB2 TRP 15 5.973 -3.106 1.722 112 HB3 TRP 15 HB3 TRP 15 5.696 -1.867 2.936 113 HD1 TRP 15 HD1 TRP 15 8.368 -3.680 1.179 114 HE1 TRP 15 HE1 TRP 15 10.684 -2.923 1.996 115 HE3 TRP 15 HE3 TRP 15 6.973 -1.143 5.388 116 HZ2 TRP 15 HZ2 TRP 15 11.790 -1.752 4.434 117 HZ3 TRP 15 HZ3 TRP 15 8.652 -0.381 7.009 118 HH2 TRP 15 HH2 TRP 15 11.102 -0.761 6.558 119 H GLU 16 HN GLU 16 4.086 -5.990 3.130 120 HA GLU 16 HA GLU 16 1.890 -4.918 1.706 121 HB2 GLU 16 HB2 GLU 16 2.539 -7.462 3.183 122 HB3 GLU 16 HB3 GLU 16 0.910 -7.252 2.577 123 HG2 GLU 16 HG2 GLU 16 3.236 -6.786 0.723 124 HG3 GLU 16 HG3 GLU 16 2.745 -8.425 1.134 125 H GLU 17 HN GLU 17 2.083 -5.976 5.180 126 HA GLU 17 HA GLU 17 -0.682 -5.190 5.631 127 HB2 GLU 17 HB2 GLU 17 1.555 -6.183 7.433 128 HB3 GLU 17 HB3 GLU 17 0.089 -5.464 8.092 129 HG2 GLU 17 HG2 GLU 17 -1.217 -7.140 6.607 130 HG3 GLU 17 HG3 GLU 17 0.322 -8.003 6.462 131 H ILE 18 HN ILE 18 2.502 -3.644 6.004 132 HA ILE 18 HA ILE 18 1.538 -1.411 7.561 133 HB ILE 18 HB ILE 18 3.882 -1.669 5.645 134 HG12 ILE 18 HG12 ILE 18 3.970 -1.393 8.682 135 HG13 ILE 18 HG13 ILE 18 3.712 -2.961 7.956 136 HG21 ILE 18 HG21 ILE 18 3.268 0.729 5.794 137 HG22 ILE 18 HG22 ILE 18 3.264 0.635 7.557 138 HG23 ILE 18 HG23 ILE 18 4.777 0.428 6.648 139 HD11 ILE 18 HD11 ILE 18 5.839 -2.697 6.645 140 HD12 ILE 18 HD12 ILE 18 6.157 -1.206 7.575 141 HD13 ILE 18 HD13 ILE 18 6.046 -2.774 8.380 142 H ALA 19 HN ALA 19 1.766 -1.974 3.999 143 HA ALA 19 HA ALA 19 0.691 0.544 3.262 144 HB1 ALA 19 HB1 ALA 19 0.262 -0.547 1.073 145 HB2 ALA 19 HB2 ALA 19 1.876 -0.944 1.697 146 HB3 ALA 19 HB3 ALA 19 0.563 -2.137 1.799 147 H VAL 20 HN VAL 20 -1.002 -2.620 3.776 148 HA VAL 20 HA VAL 20 -3.583 -1.530 3.222 149 HB VAL 20 HB VAL 20 -2.754 -3.927 4.931 150 HG11 VAL 20 HG11 VAL 20 -5.031 -3.254 5.632 151 HG12 VAL 20 HG12 VAL 20 -5.547 -3.185 3.934 152 HG13 VAL 20 HG13 VAL 20 -5.095 -4.734 4.678 153 HG21 VAL 20 HG21 VAL 20 -3.884 -3.728 2.105 154 HG22 VAL 20 HG22 VAL 20 -2.212 -4.125 2.524 155 HG23 VAL 20 HG23 VAL 20 -3.507 -5.237 2.965 156 H LYS 21 HN LYS 21 -1.739 -1.861 6.327 157 HA LYS 21 HA LYS 21 -3.884 -0.974 7.942 158 HB2 LYS 21 HB2 LYS 21 -0.904 -1.123 8.446 159 HB3 LYS 21 HB3 LYS 21 -2.042 -0.523 9.660 160 HG2 LYS 21 HG2 LYS 21 -3.257 -2.572 9.753 161 HG3 LYS 21 HG3 LYS 21 -2.448 -3.232 8.332 162 HD2 LYS 21 HD2 LYS 21 -0.285 -3.273 9.567 163 HD3 LYS 21 HD3 LYS 21 -1.125 -2.649 11.013 164 HE2 LYS 21 HE2 LYS 21 -2.669 -4.594 10.939 165 HE3 LYS 21 HE3 LYS 21 -1.825 -5.230 9.526 166 HZ1 LYS 21 HZ1 LYS 21 -1.239 -6.201 11.705 167 HZ2 LYS 21 HZ2 LYS 21 -0.504 -4.811 12.140 168 HZ3 LYS 21 HZ3 LYS 21 0.061 -5.704 10.853 169 H GLU 22 HN GLU 22 -1.175 0.840 6.464 170 HA GLU 22 HA GLU 22 -1.756 3.390 7.488 171 HB2 GLU 22 HB2 GLU 22 -0.629 2.390 4.862 172 HB3 GLU 22 HB3 GLU 22 -1.054 4.078 5.082 173 HG2 GLU 22 HG2 GLU 22 0.777 2.697 6.988 174 HG3 GLU 22 HG3 GLU 22 1.383 3.432 5.532 175 H ALA 23 HN ALA 23 -3.019 1.864 4.438 176 HA ALA 23 HA ALA 23 -4.870 3.926 3.885 177 HB1 ALA 23 HB1 ALA 23 -5.990 2.217 2.451 178 HB2 ALA 23 HB2 ALA 23 -4.226 2.265 2.227 179 HB3 ALA 23 HB3 ALA 23 -4.959 0.962 3.188 180 H LYS 24 HN LYS 24 -5.268 0.981 5.988 181 HA LYS 24 HA LYS 24 -8.074 1.534 6.408 182 HB2 LYS 24 HB2 LYS 24 -8.260 -0.357 7.520 183 HB3 LYS 24 HB3 LYS 24 -6.747 -0.745 6.731 184 HG2 LYS 24 HG2 LYS 24 -5.729 -1.093 8.681 185 HG3 LYS 24 HG3 LYS 24 -6.148 0.517 9.280 186 HD2 LYS 24 HD2 LYS 24 -7.049 -1.043 10.788 187 HD3 LYS 24 HD3 LYS 24 -8.443 -0.438 9.857 188 HE2 LYS 24 HE2 LYS 24 -8.683 -2.437 8.681 189 HE3 LYS 24 HE3 LYS 24 -6.998 -2.919 8.921 190 HZ1 LYS 24 HZ1 LYS 24 -7.469 -3.448 11.161 191 HZ2 LYS 24 HZ2 LYS 24 -8.583 -4.228 10.236 192 HZ3 LYS 24 HZ3 LYS 24 -9.021 -2.870 11.060 193 H LYS 25 HN LYS 25 -5.327 3.087 7.755 194 HA LYS 25 HA LYS 25 -6.988 3.936 10.072 195 HB2 LYS 25 HB2 LYS 25 -5.070 4.528 11.250 196 HB3 LYS 25 HB3 LYS 25 -4.955 2.875 10.661 197 HG2 LYS 25 HG2 LYS 25 -2.813 3.715 10.545 198 HG3 LYS 25 HG3 LYS 25 -3.370 3.744 8.897 199 HD2 LYS 25 HD2 LYS 25 -3.048 5.959 8.694 200 HD3 LYS 25 HD3 LYS 25 -3.850 6.324 10.239 201 HE2 LYS 25 HE2 LYS 25 -1.850 5.801 11.485 202 HE3 LYS 25 HE3 LYS 25 -1.047 5.182 10.032 203 HZ1 LYS 25 HZ1 LYS 25 -0.989 7.351 9.126 204 HZ2 LYS 25 HZ2 LYS 25 -0.319 7.365 10.588 205 HZ3 LYS 25 HZ3 LYS 25 -1.843 8.021 10.383 206 H ARG 26 HN ARG 26 -5.178 5.105 7.386 207 HA ARG 26 HA ARG 26 -5.170 7.920 7.956 208 HB2 ARG 26 HB2 ARG 26 -3.667 6.572 6.383 209 HB3 ARG 26 HB3 ARG 26 -4.999 6.597 5.242 210 HG2 ARG 26 HG2 ARG 26 -3.718 8.337 4.527 211 HG3 ARG 26 HG3 ARG 26 -4.836 9.230 5.509 212 HD2 ARG 26 HD2 ARG 26 -3.156 9.269 7.357 213 HD3 ARG 26 HD3 ARG 26 -2.038 8.355 6.322 214 HE ARG 26 HE ARG 26 -3.112 10.773 5.101 215 HH11 ARG 26 HH11 ARG 26 -0.321 9.529 7.003 216 HH12 ARG 26 HH12 ARG 26 0.537 11.038 6.831 217 HH21 ARG 26 HH21 ARG 26 -1.888 12.549 4.779 218 HH22 ARG 26 HH22 ARG 26 -0.235 12.689 5.303 219 H TYR 27 HN TYR 27 -7.961 6.060 7.222 220 HA TYR 27 HA TYR 27 -9.271 8.316 5.823 221 HB2 TYR 27 HB2 TYR 27 -9.127 5.422 4.884 222 HB3 TYR 27 HB3 TYR 27 -10.331 6.578 4.325 223 HD1 TYR 27 HD2 TYR 27 -9.764 8.543 3.025 224 HD2 TYR 27 HD1 TYR 27 -6.862 5.524 3.990 225 HE1 TYR 27 HE2 TYR 27 -8.169 9.551 1.393 226 HE2 TYR 27 HE1 TYR 27 -5.307 6.426 2.299 227 HH TYR 27 HH TYR 27 -5.144 8.015 0.448 228 HA PRO 28 HA PRO 28 -11.265 6.260 9.480 229 HB2 PRO 28 HB2 PRO 28 -12.127 8.557 10.786 230 HB3 PRO 28 HB3 PRO 28 -10.502 7.829 10.957 231 HG2 PRO 28 HG2 PRO 28 -11.339 10.154 9.204 232 HG3 PRO 28 HG3 PRO 28 -9.820 9.930 10.143 233 HD2 PRO 28 HD2 PRO 28 -9.865 9.541 7.530 234 HD3 PRO 28 HD3 PRO 28 -8.837 8.600 8.656 235 H LEU 29 HN LEU 29 -12.509 8.439 7.102 236 HA LEU 29 HA LEU 29 -15.346 7.921 7.722 237 HB2 LEU 29 HB2 LEU 29 -13.864 9.604 5.683 238 HB3 LEU 29 HB3 LEU 29 -15.559 9.195 5.465 239 HG LEU 29 HG LEU 29 -16.112 10.143 7.693 240 HD11 LEU 29 HD11 LEU 29 -14.030 10.036 8.911 241 HD12 LEU 29 HD12 LEU 29 -14.454 11.732 8.738 242 HD13 LEU 29 HD13 LEU 29 -13.198 11.038 7.692 243 HD21 LEU 29 HD21 LEU 29 -16.305 11.473 5.589 244 HD22 LEU 29 HD22 LEU 29 -14.685 12.142 5.898 245 HD23 LEU 29 HD23 LEU 29 -16.026 12.432 7.044 246 H ALA 30 HN ALA 30 -12.892 6.170 6.039 247 HA ALA 30 HA ALA 30 -14.911 4.806 4.347 248 HB1 ALA 30 HB1 ALA 30 -13.360 4.818 2.484 249 HB2 ALA 30 HB2 ALA 30 -13.681 6.482 2.984 250 HB3 ALA 30 HB3 ALA 30 -12.147 5.722 3.428 251 H GLN 31 HN GLN 31 -13.822 2.738 3.409 252 HA GLN 31 HA GLN 31 -12.297 1.348 5.598 253 HB2 GLN 31 HB2 GLN 31 -14.294 0.009 3.779 254 HB3 GLN 31 HB3 GLN 31 -13.681 -0.546 5.341 255 HG2 GLN 31 HG2 GLN 31 -15.001 1.290 6.454 256 HG3 GLN 31 HG3 GLN 31 -15.600 1.768 4.846 257 HE21 GLN 31 HE21 GLN 31 -16.221 -0.383 3.552 258 HE22 GLN 31 HE22 GLN 31 -17.644 -1.108 4.345 259 H VAL 32 HN VAL 32 -10.782 -0.283 4.800 260 HA VAL 32 HA VAL 32 -10.115 0.183 1.932 261 HB VAL 32 HB VAL 32 -8.325 0.813 3.501 262 HG11 VAL 32 HG11 VAL 32 -7.891 -2.162 3.929 263 HG12 VAL 32 HG12 VAL 32 -6.904 -0.826 4.520 264 HG13 VAL 32 HG13 VAL 32 -8.552 -1.056 5.151 265 HG21 VAL 32 HG21 VAL 32 -7.730 -1.423 1.513 266 HG22 VAL 32 HG22 VAL 32 -7.866 0.317 1.158 267 HG23 VAL 32 HG23 VAL 32 -6.543 -0.291 2.160 268 H LEU 33 HN LEU 33 -10.746 -1.332 0.618 269 HA LEU 33 HA LEU 33 -11.675 -3.932 1.583 270 HB2 LEU 33 HB2 LEU 33 -11.680 -2.809 -1.264 271 HB3 LEU 33 HB3 LEU 33 -12.621 -4.138 -0.612 272 HG LEU 33 HG LEU 33 -13.566 -2.326 1.060 273 HD11 LEU 33 HD11 LEU 33 -11.894 -0.602 -0.336 274 HD12 LEU 33 HD12 LEU 33 -13.369 -0.146 0.522 275 HD13 LEU 33 HD13 LEU 33 -13.367 -0.441 -1.248 276 HD21 LEU 33 HD21 LEU 33 -14.992 -3.506 -0.487 277 HD22 LEU 33 HD22 LEU 33 -14.335 -2.584 -1.867 278 HD23 LEU 33 HD23 LEU 33 -15.313 -1.770 -0.655 279 H PHE 34 HN PHE 34 -8.905 -2.586 -0.012 280 HA PHE 34 HA PHE 34 -8.649 -4.932 -1.786 281 HB2 PHE 34 HB2 PHE 34 -9.125 -2.339 -2.283 282 HB3 PHE 34 HB3 PHE 34 -7.376 -2.246 -2.208 283 HD1 PHE 34 HD1 PHE 34 -10.301 -3.831 -3.901 284 HD2 PHE 34 HD2 PHE 34 -6.053 -2.990 -4.127 285 HE1 PHE 34 HE1 PHE 34 -10.257 -4.618 -6.255 286 HE2 PHE 34 HE2 PHE 34 -6.048 -3.760 -6.446 287 HZ PHE 34 HZ PHE 34 -8.107 -4.659 -7.504 288 H LYS 35 HN LYS 35 -6.308 -5.180 -2.730 289 HA LYS 35 HA LYS 35 -3.986 -4.252 -1.566 290 HB2 LYS 35 HB2 LYS 35 -3.106 -6.435 -0.566 291 HB3 LYS 35 HB3 LYS 35 -4.007 -5.315 0.432 292 HG2 LYS 35 HG2 LYS 35 -5.957 -6.643 0.420 293 HG3 LYS 35 HG3 LYS 35 -5.356 -7.666 -0.906 294 HD2 LYS 35 HD2 LYS 35 -3.564 -8.506 0.560 295 HD3 LYS 35 HD3 LYS 35 -4.188 -7.520 1.904 296 HE2 LYS 35 HE2 LYS 35 -6.271 -8.765 1.933 297 HE3 LYS 35 HE3 LYS 35 -5.869 -9.572 0.409 298 HZ1 LYS 35 HZ1 LYS 35 -4.343 -9.949 2.910 299 HZ2 LYS 35 HZ2 LYS 35 -4.153 -10.776 1.484 300 HZ3 LYS 35 HZ3 LYS 35 -5.534 -10.951 2.365 301 H GLN 36 HN GLN 36 -3.212 -3.987 -3.548 302 HA GLN 36 HA GLN 36 -2.427 -6.561 -4.782 303 HB2 GLN 36 HB2 GLN 36 -3.761 -4.326 -6.351 304 HB3 GLN 36 HB3 GLN 36 -2.804 -5.615 -7.101 305 HG2 GLN 36 HG2 GLN 36 -4.276 -7.297 -5.912 306 HG3 GLN 36 HG3 GLN 36 -5.324 -5.969 -5.432 307 HE21 GLN 36 HE21 GLN 36 -5.042 -4.590 -8.243 308 HE22 GLN 36 HE22 GLN 36 -6.230 -5.611 -9.075 309 H LYS 37 HN LYS 37 -0.628 -6.640 -5.945 310 HA LYS 37 HA LYS 37 1.586 -4.958 -5.337 311 HB2 LYS 37 HB2 LYS 37 2.796 -6.237 -6.971 312 HB3 LYS 37 HB3 LYS 37 1.724 -7.349 -6.121 313 HG2 LYS 37 HG2 LYS 37 0.130 -7.280 -8.036 314 HG3 LYS 37 HG3 LYS 37 1.182 -6.137 -8.884 315 HD2 LYS 37 HD2 LYS 37 2.992 -7.810 -8.938 316 HD3 LYS 37 HD3 LYS 37 1.936 -8.971 -8.099 317 HE2 LYS 37 HE2 LYS 37 0.297 -8.820 -9.953 318 HE3 LYS 37 HE3 LYS 37 1.344 -7.668 -10.797 319 HZ1 LYS 37 HZ1 LYS 37 2.996 -9.401 -11.014 320 HZ2 LYS 37 HZ2 LYS 37 1.579 -9.979 -11.579 321 HZ3 LYS 37 HZ3 LYS 37 2.075 -10.449 -10.117 322 H VAL 38 HN VAL 38 2.877 -3.715 -6.873 323 HA VAL 38 HA VAL 38 1.544 -2.690 -9.248 324 HB VAL 38 HB VAL 38 2.145 -0.346 -8.734 325 HG11 VAL 38 HG11 VAL 38 0.320 0.182 -7.316 326 HG12 VAL 38 HG12 VAL 38 -0.166 -1.238 -8.275 327 HG13 VAL 38 HG13 VAL 38 0.304 -1.430 -6.579 328 HG21 VAL 38 HG21 VAL 38 2.725 -1.332 -5.915 329 HG22 VAL 38 HG22 VAL 38 3.868 -0.541 -7.025 330 HG23 VAL 38 HG23 VAL 38 2.514 0.362 -6.373 331 H TRP 39 HN TRP 39 3.632 -0.880 -9.928 332 HA TRP 39 HA TRP 39 5.857 -2.413 -10.797 333 HB2 TRP 39 HB2 TRP 39 5.144 -0.283 -11.743 334 HB3 TRP 39 HB3 TRP 39 5.345 0.517 -10.190 335 HD1 TRP 39 HD1 TRP 39 7.517 -1.148 -12.910 336 HE1 TRP 39 HE1 TRP 39 9.734 0.148 -13.062 337 HE3 TRP 39 HE3 TRP 39 6.904 1.974 -8.898 338 HZ2 TRP 39 HZ2 TRP 39 11.039 2.273 -11.621 339 HZ3 TRP 39 HZ3 TRP 39 8.688 3.583 -8.275 340 HH2 TRP 39 HH2 TRP 39 10.818 3.651 -9.620 341 H ASP 40 HN ASP 40 8.081 -2.364 -9.911 342 HA ASP 40 HA ASP 40 8.439 -1.632 -7.127 343 HB2 ASP 40 HB2 ASP 40 8.301 -3.623 -6.132 344 HB3 ASP 40 HB3 ASP 40 7.509 -4.241 -7.567 345 H ARG 41 HN ARG 41 10.640 -1.313 -6.679 346 HA ARG 41 HA ARG 41 12.642 -1.657 -8.798 347 HB2 ARG 41 HB2 ARG 41 11.176 0.121 -9.644 348 HB3 ARG 41 HB3 ARG 41 11.116 0.911 -8.089 349 HG2 ARG 41 HG2 ARG 41 12.472 2.180 -9.677 350 HG3 ARG 41 HG3 ARG 41 13.391 1.696 -8.276 351 HD2 ARG 41 HD2 ARG 41 14.507 1.520 -10.545 352 HD3 ARG 41 HD3 ARG 41 14.585 0.147 -9.440 353 HE ARG 41 HE ARG 41 13.359 -1.163 -10.883 354 HH11 ARG 41 HH11 ARG 41 13.833 1.968 -12.377 355 HH12 ARG 41 HH12 ARG 41 12.727 1.773 -13.667 356 HH21 ARG 41 HH21 ARG 41 12.058 -1.637 -12.610 357 HH22 ARG 41 HH22 ARG 41 11.713 -0.488 -13.891 358 H LYS 42 HN LYS 42 14.764 -1.000 -8.001 359 HA LYS 42 HA LYS 42 14.653 0.599 -5.592 360 HB2 LYS 42 HB2 LYS 42 16.446 -0.380 -4.429 361 HB3 LYS 42 HB3 LYS 42 15.360 -1.708 -4.799 362 HG2 LYS 42 HG2 LYS 42 17.783 -1.045 -6.528 363 HG3 LYS 42 HG3 LYS 42 17.947 -1.936 -5.044 364 HD2 LYS 42 HD2 LYS 42 15.878 -3.089 -6.836 365 HD3 LYS 42 HD3 LYS 42 17.504 -3.025 -7.544 366 HE2 LYS 42 HE2 LYS 42 18.444 -4.090 -5.533 367 HE3 LYS 42 HE3 LYS 42 16.844 -4.185 -4.809 368 HZ1 LYS 42 HZ1 LYS 42 16.186 -5.727 -6.485 369 HZ2 LYS 42 HZ2 LYS 42 17.620 -6.238 -5.855 370 HZ3 LYS 42 HZ3 LYS 42 17.610 -5.529 -7.328 371 H ARG 43 HN ARG 43 16.694 1.755 -5.099 372 HA ARG 43 HA ARG 43 18.054 2.620 -7.552 373 HB2 ARG 43 HB2 ARG 43 16.946 4.410 -5.353 374 HB3 ARG 43 HB3 ARG 43 18.116 4.893 -6.599 375 HG2 ARG 43 HG2 ARG 43 16.242 5.607 -7.641 376 HG3 ARG 43 HG3 ARG 43 16.378 4.003 -8.336 377 HD2 ARG 43 HD2 ARG 43 14.665 3.174 -6.865 378 HD3 ARG 43 HD3 ARG 43 14.645 4.707 -5.955 379 HE ARG 43 HE ARG 43 14.159 5.036 -8.805 380 HH11 ARG 43 HH11 ARG 43 12.608 4.736 -5.609 381 HH12 ARG 43 HH12 ARG 43 11.158 5.518 -6.105 382 HH21 ARG 43 HH21 ARG 43 12.113 5.871 -9.506 383 HH22 ARG 43 HH22 ARG 43 10.864 6.180 -8.348 384 H LYS 44 HN LYS 44 19.886 4.318 -5.820 385 HA LYS 44 HA LYS 44 21.824 2.203 -5.212 386 HB2 LYS 44 HB2 LYS 44 21.766 5.225 -4.800 387 HB3 LYS 44 HB3 LYS 44 22.958 4.226 -3.998 388 HG2 LYS 44 HG2 LYS 44 24.010 5.100 -5.871 389 HG3 LYS 44 HG3 LYS 44 23.764 3.378 -6.196 390 HD2 LYS 44 HD2 LYS 44 21.958 3.882 -7.725 391 HD3 LYS 44 HD3 LYS 44 21.924 5.588 -7.200 392 HE2 LYS 44 HE2 LYS 44 24.184 5.961 -8.066 393 HE3 LYS 44 HE3 LYS 44 24.328 4.251 -8.511 394 HZ1 LYS 44 HZ1 LYS 44 23.751 5.632 -10.400 395 HZ2 LYS 44 HZ2 LYS 44 22.353 6.119 -9.653 396 HZ3 LYS 44 HZ3 LYS 44 22.575 4.542 -10.084 397 H ASP 45 HN ASP 45 20.034 4.604 -3.320 398 HA ASP 45 HA ASP 45 20.648 3.178 -0.787 399 HB2 ASP 45 HB2 ASP 45 20.933 5.519 0.104 400 HB3 ASP 45 HB3 ASP 45 22.162 4.953 -1.017 401 H GLU 46 HN GLU 46 18.137 3.529 -2.677 402 HA GLU 46 HA GLU 46 16.313 3.508 -0.432 403 HB2 GLU 46 HB2 GLU 46 16.466 5.944 -1.447 404 HB3 GLU 46 HB3 GLU 46 15.594 5.209 -2.797 405 HG2 GLU 46 HG2 GLU 46 13.794 4.536 -1.093 406 HG3 GLU 46 HG3 GLU 46 14.685 5.513 0.094 407 H ALA 47 HN ALA 47 14.206 2.672 -1.232 408 HA ALA 47 HA ALA 47 14.080 1.374 -3.847 409 HB1 ALA 47 HB1 ALA 47 14.057 -0.151 -1.212 410 HB2 ALA 47 HB2 ALA 47 13.635 -0.864 -2.796 411 HB3 ALA 47 HB3 ALA 47 15.286 -0.291 -2.460 412 H VAL 48 HN VAL 48 11.879 0.259 -4.075 413 HA VAL 48 HA VAL 48 9.815 1.283 -2.260 414 HB VAL 48 HB VAL 48 8.392 1.758 -4.367 415 HG11 VAL 48 HG11 VAL 48 10.632 3.712 -3.742 416 HG12 VAL 48 HG12 VAL 48 9.048 4.083 -4.455 417 HG13 VAL 48 HG13 VAL 48 9.157 3.500 -2.785 418 HG21 VAL 48 HG21 VAL 48 11.121 2.130 -5.697 419 HG22 VAL 48 HG22 VAL 48 9.936 0.860 -6.081 420 HG23 VAL 48 HG23 VAL 48 9.544 2.559 -6.363 421 H LYS 49 HN LYS 49 8.434 -0.152 -1.732 422 HA LYS 49 HA LYS 49 7.682 -2.478 -3.359 423 HB2 LYS 49 HB2 LYS 49 9.041 -2.572 -0.623 424 HB3 LYS 49 HB3 LYS 49 8.010 -3.870 -1.221 425 HG2 LYS 49 HG2 LYS 49 9.553 -4.088 -3.215 426 HG3 LYS 49 HG3 LYS 49 10.615 -2.911 -2.448 427 HD2 LYS 49 HD2 LYS 49 11.525 -5.004 -1.902 428 HD3 LYS 49 HD3 LYS 49 10.729 -4.436 -0.422 429 HE2 LYS 49 HE2 LYS 49 8.801 -5.873 -0.856 430 HE3 LYS 49 HE3 LYS 49 9.386 -6.270 -2.467 431 HZ1 LYS 49 HZ1 LYS 49 9.738 -8.042 -0.966 432 HZ2 LYS 49 HZ2 LYS 49 10.717 -7.171 0.040 433 HZ3 LYS 49 HZ3 LYS 49 11.160 -7.548 -1.503 434 H GLN 50 HN GLN 50 6.107 -0.508 -3.249 435 HA GLN 50 HA GLN 50 4.290 -0.740 -0.907 436 HB2 GLN 50 HB2 GLN 50 3.399 1.525 -1.634 437 HB3 GLN 50 HB3 GLN 50 4.928 1.466 -0.789 438 HG2 GLN 50 HG2 GLN 50 5.029 3.111 -2.502 439 HG3 GLN 50 HG3 GLN 50 6.148 1.825 -2.901 440 HE21 GLN 50 HE21 GLN 50 6.192 1.835 -5.123 441 HE22 GLN 50 HE22 GLN 50 4.784 1.856 -6.175 442 H TYR 51 HN TYR 51 1.946 0.126 -1.991 443 HA TYR 51 HA TYR 51 1.298 -1.855 -4.054 444 HB2 TYR 51 HB2 TYR 51 0.284 -1.911 -1.170 445 HB3 TYR 51 HB3 TYR 51 -0.301 -2.934 -2.464 446 HD1 TYR 51 HD1 TYR 51 2.428 -2.319 -0.115 447 HD2 TYR 51 HD2 TYR 51 1.051 -4.802 -3.304 448 HE1 TYR 51 HE1 TYR 51 4.411 -3.803 0.202 449 HE2 TYR 51 HE2 TYR 51 2.947 -6.368 -2.970 450 HH TYR 51 HH TYR 51 4.991 -6.709 -1.868 451 H HIS 52 HN HIS 52 -1.187 -1.684 -4.445 452 HA HIS 52 HA HIS 52 -2.096 1.128 -3.982 453 HB2 HIS 52 HB2 HIS 52 -1.372 1.017 -6.236 454 HB3 HIS 52 HB3 HIS 52 -2.174 -0.543 -6.500 455 HD1 HIS 52 HD1 HIS 52 -4.181 2.409 -4.917 456 HD2 HIS 52 HD2 HIS 52 -3.542 0.359 -8.567 457 HE1 HIS 52 HE1 HIS 52 -6.019 3.110 -6.475 458 H LEU 53 HN LEU 53 -3.978 1.217 -2.956 459 HA LEU 53 HA LEU 53 -5.667 -1.181 -2.797 460 HB2 LEU 53 HB2 LEU 53 -5.374 1.037 -0.735 461 HB3 LEU 53 HB3 LEU 53 -6.179 -0.512 -0.571 462 HG LEU 53 HG LEU 53 -4.304 -0.576 0.736 463 HD11 LEU 53 HD11 LEU 53 -3.005 -2.469 0.011 464 HD12 LEU 53 HD12 LEU 53 -3.545 -2.192 -1.655 465 HD13 LEU 53 HD13 LEU 53 -4.712 -2.636 -0.379 466 HD21 LEU 53 HD21 LEU 53 -2.073 -0.217 0.380 467 HD22 LEU 53 HD22 LEU 53 -2.898 1.196 -0.326 468 HD23 LEU 53 HD23 LEU 53 -2.236 -0.090 -1.370 469 H THR 54 HN THR 54 -8.083 -0.371 -2.213 470 HA THR 54 HA THR 54 -8.565 2.366 -3.188 471 HB THR 54 HB THR 54 -9.229 0.435 -4.888 472 HG1 THR 54 HG1 THR 54 -10.516 2.793 -4.196 473 HG21 THR 54 HG21 THR 54 -11.523 -0.330 -4.605 474 HG22 THR 54 HG22 THR 54 -11.688 0.576 -3.101 475 HG23 THR 54 HG23 THR 54 -10.600 -0.845 -3.175 476 H LEU 55 HN LEU 55 -10.210 3.329 -2.026 477 HA LEU 55 HA LEU 55 -11.095 1.954 0.500 478 HB2 LEU 55 HB2 LEU 55 -10.656 4.840 -0.289 479 HB3 LEU 55 HB3 LEU 55 -11.777 4.483 0.988 480 HG LEU 55 HG LEU 55 -9.682 5.191 1.850 481 HD11 LEU 55 HD11 LEU 55 -9.224 3.560 3.528 482 HD12 LEU 55 HD12 LEU 55 -9.961 2.302 2.542 483 HD13 LEU 55 HD13 LEU 55 -10.970 3.606 3.211 484 HD21 LEU 55 HD21 LEU 55 -7.621 3.989 1.676 485 HD22 LEU 55 HD22 LEU 55 -8.250 4.297 0.041 486 HD23 LEU 55 HD23 LEU 55 -8.389 2.677 0.745 487 H ARG 56 HN ARG 56 -13.221 2.188 1.166 488 HA ARG 56 HA ARG 56 -15.279 3.057 -0.828 489 HB2 ARG 56 HB2 ARG 56 -15.313 0.678 -0.795 490 HB3 ARG 56 HB3 ARG 56 -15.368 0.629 0.977 491 HG2 ARG 56 HG2 ARG 56 -17.609 1.333 1.063 492 HG3 ARG 56 HG3 ARG 56 -17.617 1.911 -0.611 493 HD2 ARG 56 HD2 ARG 56 -17.478 -0.297 -1.515 494 HD3 ARG 56 HD3 ARG 56 -17.115 -0.987 0.088 495 HE ARG 56 HE ARG 56 -19.634 0.301 0.155 496 HH11 ARG 56 HH11 ARG 56 -18.195 -2.585 -1.358 497 HH12 ARG 56 HH12 ARG 56 -19.397 -3.683 -0.775 498 HH21 ARG 56 HH21 ARG 56 -21.431 -1.100 0.588 499 HH22 ARG 56 HH22 ARG 56 -21.284 -2.810 0.359 500 H GLU 57 HN GLU 57 -16.140 4.872 -0.026 501 HA GLU 57 HA GLU 57 -16.818 5.096 2.851 502 HB2 GLU 57 HB2 GLU 57 -15.782 7.091 2.109 503 HB3 GLU 57 HB3 GLU 57 -16.739 7.150 0.634 504 HG2 GLU 57 HG2 GLU 57 -18.357 7.120 3.168 505 HG3 GLU 57 HG3 GLU 57 -17.292 8.503 3.005 506 H GLY 58 HN GLY 58 -18.687 3.822 3.021 507 HA2 GLY 58 HA1 GLY 58 -20.837 3.134 2.719 508 HA3 GLY 58 HA2 GLY 58 -21.119 4.732 2.030 509 H SER 59 HN SER 59 -21.177 4.981 -0.202 510 HA SER 59 HA SER 59 -21.442 2.447 -1.782 511 HB2 SER 59 HB2 SER 59 -23.017 3.793 -3.177 512 HB3 SER 59 HB3 SER 59 -23.563 3.456 -1.526 513 HG SER 59 HG SER 59 -22.842 5.597 -0.961 514 H LYS 60 HN LYS 60 -19.447 5.249 -1.469 515 HA LYS 60 HA LYS 60 -18.804 5.440 -4.346 516 HB2 LYS 60 HB2 LYS 60 -18.839 7.462 -3.008 517 HB3 LYS 60 HB3 LYS 60 -17.732 6.773 -1.810 518 HG2 LYS 60 HG2 LYS 60 -15.894 6.845 -3.320 519 HG3 LYS 60 HG3 LYS 60 -16.901 7.132 -4.701 520 HD2 LYS 60 HD2 LYS 60 -15.767 9.154 -4.173 521 HD3 LYS 60 HD3 LYS 60 -17.489 9.394 -3.841 522 HE2 LYS 60 HE2 LYS 60 -17.117 9.111 -1.441 523 HE3 LYS 60 HE3 LYS 60 -15.447 8.597 -1.723 524 HZ1 LYS 60 HZ1 LYS 60 -15.413 10.832 -1.041 525 HZ2 LYS 60 HZ2 LYS 60 -16.527 11.305 -2.155 526 HZ3 LYS 60 HZ3 LYS 60 -15.019 10.844 -2.627 527 H GLU 61 HN GLU 61 -16.558 4.992 -5.067 528 HA GLU 61 HA GLU 61 -14.785 3.679 -3.209 529 HB2 GLU 61 HB2 GLU 61 -15.907 2.206 -5.502 530 HB3 GLU 61 HB3 GLU 61 -14.146 2.182 -5.418 531 HG2 GLU 61 HG2 GLU 61 -14.053 1.117 -3.365 532 HG3 GLU 61 HG3 GLU 61 -15.620 1.713 -2.840 533 H PHE 62 HN PHE 62 -12.690 4.325 -3.512 534 HA PHE 62 HA PHE 62 -11.936 5.870 -5.898 535 HB2 PHE 62 HB2 PHE 62 -10.962 7.670 -4.503 536 HB3 PHE 62 HB3 PHE 62 -12.711 7.645 -4.539 537 HD1 PHE 62 HD2 PHE 62 -13.981 7.043 -2.566 538 HD2 PHE 62 HD1 PHE 62 -9.725 7.206 -2.382 539 HE1 PHE 62 HE2 PHE 62 -14.164 7.329 -0.105 540 HE2 PHE 62 HE1 PHE 62 -9.840 7.496 0.089 541 HZ PHE 62 HZ PHE 62 -12.039 7.542 1.245 542 H GLY 63 HN GLY 63 -9.703 5.769 -6.288 543 HA2 GLY 63 HA1 GLY 63 -8.329 3.540 -4.999 544 HA3 GLY 63 HA2 GLY 63 -7.842 4.440 -6.437 545 H VAL 64 HN VAL 64 -6.560 3.705 -3.622 546 HA VAL 64 HA VAL 64 -5.150 6.336 -3.532 547 HB VAL 64 HB VAL 64 -4.885 6.150 -1.177 548 HG11 VAL 64 HG11 VAL 64 -7.169 6.466 -0.408 549 HG12 VAL 64 HG12 VAL 64 -7.019 7.124 -2.040 550 HG13 VAL 64 HG13 VAL 64 -7.814 5.579 -1.796 551 HG21 VAL 64 HG21 VAL 64 -5.872 4.455 0.206 552 HG22 VAL 64 HG22 VAL 64 -6.429 3.555 -1.239 553 HG23 VAL 64 HG23 VAL 64 -4.691 3.722 -0.883 554 H PHE 65 HN PHE 65 -3.001 6.387 -3.339 555 HA PHE 65 HA PHE 65 -1.537 3.820 -3.912 556 HB2 PHE 65 HB2 PHE 65 -1.015 6.619 -4.955 557 HB3 PHE 65 HB3 PHE 65 0.053 5.267 -5.174 558 HD1 PHE 65 HD1 PHE 65 -0.484 3.418 -6.680 559 HD2 PHE 65 HD2 PHE 65 -3.066 6.840 -6.217 560 HE1 PHE 65 HE1 PHE 65 -1.664 2.826 -8.802 561 HE2 PHE 65 HE2 PHE 65 -4.254 6.222 -8.331 562 HZ PHE 65 HZ PHE 65 -3.547 4.218 -9.603 563 H VAL 66 HN VAL 66 -0.715 3.245 -1.944 564 HA VAL 66 HA VAL 66 0.299 4.970 0.101 565 HB VAL 66 HB VAL 66 0.576 2.040 -0.658 566 HG11 VAL 66 HG11 VAL 66 1.772 3.300 1.831 567 HG12 VAL 66 HG12 VAL 66 1.593 1.572 1.528 568 HG13 VAL 66 HG13 VAL 66 2.662 2.516 0.504 569 HG21 VAL 66 HG21 VAL 66 -0.867 1.654 1.239 570 HG22 VAL 66 HG22 VAL 66 -0.713 3.322 1.790 571 HG23 VAL 66 HG23 VAL 66 -1.603 2.963 0.300 572 H THR 67 HN THR 67 2.433 5.750 0.517 573 HA THR 67 HA THR 67 4.503 5.139 -1.536 574 HB THR 67 HB THR 67 4.063 7.815 -0.188 575 HG1 THR 67 HG1 THR 67 3.161 6.873 -2.691 576 HG21 THR 67 HG21 THR 67 6.372 7.412 -0.980 577 HG22 THR 67 HG22 THR 67 5.571 8.661 -1.941 578 HG23 THR 67 HG23 THR 67 5.751 7.020 -2.601 579 H ILE 68 HN ILE 68 5.544 3.570 -0.263 580 HA ILE 68 HA ILE 68 6.616 4.458 2.389 581 HB ILE 68 HB ILE 68 6.224 1.674 1.234 582 HG12 ILE 68 HG12 ILE 68 5.021 2.819 3.796 583 HG13 ILE 68 HG13 ILE 68 4.201 2.935 2.253 584 HG21 ILE 68 HG21 ILE 68 7.134 0.812 3.385 585 HG22 ILE 68 HG22 ILE 68 8.341 1.795 2.558 586 HG23 ILE 68 HG23 ILE 68 7.435 2.468 3.925 587 HD11 ILE 68 HD11 ILE 68 3.320 1.025 3.396 588 HD12 ILE 68 HD12 ILE 68 4.275 0.436 2.025 589 HD13 ILE 68 HD13 ILE 68 4.929 0.353 3.679 590 H SER 69 HN SER 69 8.523 5.440 1.951 591 HA SER 69 HA SER 69 10.363 4.381 -0.149 592 HB2 SER 69 HB2 SER 69 10.207 6.901 1.537 593 HB3 SER 69 HB3 SER 69 11.788 6.269 1.056 594 HG SER 69 HG SER 69 11.469 7.215 -0.678 595 H PHE 70 HN PHE 70 11.904 2.883 0.509 596 HA PHE 70 HA PHE 70 12.680 2.903 3.359 597 HB2 PHE 70 HB2 PHE 70 12.340 0.632 3.698 598 HB3 PHE 70 HB3 PHE 70 10.848 1.182 2.961 599 HD1 PHE 70 HD2 PHE 70 10.474 0.675 0.432 600 HD2 PHE 70 HD1 PHE 70 13.732 -0.969 2.682 601 HE1 PHE 70 HE2 PHE 70 10.852 -1.027 -1.301 602 HE2 PHE 70 HE1 PHE 70 14.102 -2.697 0.918 603 HZ PHE 70 HZ PHE 70 12.625 -2.743 -1.068 604 H ASP 71 HN ASP 71 14.612 1.554 3.687 605 HA ASP 71 HA ASP 71 16.652 2.277 1.706 606 HB2 ASP 71 HB2 ASP 71 16.589 2.729 4.218 607 HB3 ASP 71 HB3 ASP 71 16.830 0.992 4.453 608 HA PRO 72 HA PRO 72 16.864 -2.005 0.391 609 HB2 PRO 72 HB2 PRO 72 19.180 -1.972 -1.099 610 HB3 PRO 72 HB3 PRO 72 17.621 -1.286 -1.635 611 HG2 PRO 72 HG2 PRO 72 20.003 0.160 -0.469 612 HG3 PRO 72 HG3 PRO 72 18.971 0.633 -1.845 613 HD2 PRO 72 HD2 PRO 72 18.632 1.653 0.674 614 HD3 PRO 72 HD3 PRO 72 17.261 1.375 -0.442 615 H TYR 73 HN TYR 73 19.308 -0.540 2.434 616 HA TYR 73 HA TYR 73 21.231 -2.568 2.577 617 HB2 TYR 73 HB2 TYR 73 20.388 -0.497 4.650 618 HB3 TYR 73 HB3 TYR 73 21.803 -1.508 4.773 619 HD1 TYR 73 HD1 TYR 73 21.110 -0.088 1.399 620 HD2 TYR 73 HD2 TYR 73 23.019 0.614 5.201 621 HE1 TYR 73 HE1 TYR 73 22.507 1.630 0.353 622 HE2 TYR 73 HE2 TYR 73 24.411 2.376 4.148 623 HH TYR 73 HH TYR 73 24.889 3.566 2.180 624 H SER 74 HN SER 74 18.605 -1.833 4.875 625 HA SER 74 HA SER 74 18.464 -4.699 5.700 626 HB2 SER 74 HB2 SER 74 20.061 -3.008 7.039 627 HB3 SER 74 HB3 SER 74 18.522 -2.592 7.827 628 HG SER 74 HG SER 74 19.608 -4.192 8.891 629 H GLN 75 HN GLN 75 16.614 -2.465 4.375 630 HA GLN 75 HA GLN 75 14.454 -1.799 4.449 631 HB2 GLN 75 HB2 GLN 75 14.192 -4.523 5.742 632 HB3 GLN 75 HB3 GLN 75 12.858 -3.388 5.849 633 HG2 GLN 75 HG2 GLN 75 12.292 -4.574 4.004 634 HG3 GLN 75 HG3 GLN 75 12.989 -3.131 3.329 635 HE21 GLN 75 HE21 GLN 75 15.567 -3.366 2.859 636 HE22 GLN 75 HE22 GLN 75 15.890 -4.858 1.978 637 H LYS 76 HN LYS 76 15.476 -0.013 5.458 638 HA LYS 76 HA LYS 76 14.231 0.534 8.101 639 HB2 LYS 76 HB2 LYS 76 16.822 1.374 6.834 640 HB3 LYS 76 HB3 LYS 76 15.809 2.700 7.351 641 HG2 LYS 76 HG2 LYS 76 15.588 1.263 9.601 642 HG3 LYS 76 HG3 LYS 76 17.102 0.543 9.026 643 HD2 LYS 76 HD2 LYS 76 18.166 2.742 8.979 644 HD3 LYS 76 HD3 LYS 76 16.593 3.539 9.206 645 HE2 LYS 76 HE2 LYS 76 16.402 2.351 11.436 646 HE3 LYS 76 HE3 LYS 76 18.110 1.898 11.261 647 HZ1 LYS 76 HZ1 LYS 76 17.740 3.987 12.498 648 HZ2 LYS 76 HZ2 LYS 76 17.067 4.684 11.203 649 HZ3 LYS 76 HZ3 LYS 76 18.655 4.224 11.155 650 H VAL 77 HN VAL 77 12.339 1.631 7.804 651 HA VAL 77 HA VAL 77 11.637 2.609 5.130 652 HB VAL 77 HB VAL 77 9.911 1.541 6.103 653 HG11 VAL 77 HG11 VAL 77 10.520 1.398 8.428 654 HG12 VAL 77 HG12 VAL 77 10.229 3.141 8.652 655 HG13 VAL 77 HG13 VAL 77 8.881 2.022 8.281 656 HG21 VAL 77 HG21 VAL 77 9.301 3.685 5.006 657 HG22 VAL 77 HG22 VAL 77 8.128 3.109 6.192 658 HG23 VAL 77 HG23 VAL 77 9.228 4.444 6.612 659 H ASN 78 HN ASN 78 12.316 4.492 4.419 660 HA ASN 78 HA ASN 78 13.691 6.300 6.254 661 HB2 ASN 78 HB2 ASN 78 13.324 6.331 3.237 662 HB3 ASN 78 HB3 ASN 78 14.130 7.622 4.129 663 HD21 ASN 78 HD21 ASN 78 15.137 5.236 2.202 664 HD22 ASN 78 HD22 ASN 78 16.458 4.621 3.174 665 H LYS 79 HN LYS 79 10.764 6.486 4.141 666 HA LYS 79 HA LYS 79 9.649 8.529 5.909 667 HB2 LYS 79 HB2 LYS 79 11.045 9.307 3.552 668 HB3 LYS 79 HB3 LYS 79 9.366 9.320 3.085 669 HG2 LYS 79 HG2 LYS 79 10.634 10.894 5.364 670 HG3 LYS 79 HG3 LYS 79 10.154 11.519 3.785 671 HD2 LYS 79 HD2 LYS 79 7.743 10.873 4.373 672 HD3 LYS 79 HD3 LYS 79 8.353 10.525 6.002 673 HE2 LYS 79 HE2 LYS 79 7.667 12.686 6.327 674 HE3 LYS 79 HE3 LYS 79 9.350 12.963 5.861 675 HZ1 LYS 79 HZ1 LYS 79 7.995 14.454 4.627 676 HZ2 LYS 79 HZ2 LYS 79 6.927 13.301 4.193 677 HZ3 LYS 79 HZ3 LYS 79 8.418 13.308 3.530 678 H ILE 80 HN ILE 80 7.277 8.817 5.321 679 HA ILE 80 HA ILE 80 6.145 6.721 3.601 680 HB ILE 80 HB ILE 80 5.280 7.268 6.483 681 HG12 ILE 80 HG12 ILE 80 6.601 4.826 5.214 682 HG13 ILE 80 HG13 ILE 80 7.278 5.878 6.462 683 HG21 ILE 80 HG21 ILE 80 3.580 5.512 6.103 684 HG22 ILE 80 HG22 ILE 80 3.359 6.819 4.973 685 HG23 ILE 80 HG23 ILE 80 4.154 5.320 4.430 686 HD11 ILE 80 HD11 ILE 80 5.327 5.158 7.957 687 HD12 ILE 80 HD12 ILE 80 5.041 3.869 6.758 688 HD13 ILE 80 HD13 ILE 80 6.581 3.954 7.625 689 H ALA 81 HN ALA 81 4.405 7.538 2.459 690 HA ALA 81 HA ALA 81 2.898 9.817 3.483 691 HB1 ALA 81 HB1 ALA 81 4.552 10.900 1.985 692 HB2 ALA 81 HB2 ALA 81 4.077 9.817 0.664 693 HB3 ALA 81 HB3 ALA 81 2.916 10.989 1.310 694 H ILE 82 HN ILE 82 0.928 10.062 1.785 695 HA ILE 82 HA ILE 82 0.012 7.460 0.784 696 HB ILE 82 HB ILE 82 -1.434 9.321 2.689 697 HG12 ILE 82 HG12 ILE 82 -0.001 7.372 3.556 698 HG13 ILE 82 HG13 ILE 82 -1.637 7.488 4.107 699 HG21 ILE 82 HG21 ILE 82 -2.704 7.219 0.887 700 HG22 ILE 82 HG22 ILE 82 -3.461 7.870 2.348 701 HG23 ILE 82 HG23 ILE 82 -3.084 8.955 1.008 702 HD11 ILE 82 HD11 ILE 82 -2.368 5.597 2.899 703 HD12 ILE 82 HD12 ILE 82 -0.982 5.691 1.780 704 HD13 ILE 82 HD13 ILE 82 -0.749 5.171 3.446 705 H LEU 83 HN LEU 83 -1.533 7.897 -1.038 706 HA LEU 83 HA LEU 83 -1.755 10.680 -1.973 707 HB2 LEU 83 HB2 LEU 83 0.118 9.397 -3.152 708 HB3 LEU 83 HB3 LEU 83 -1.070 8.259 -3.679 709 HG LEU 83 HG LEU 83 -0.288 9.807 -5.382 710 HD11 LEU 83 HD11 LEU 83 -3.199 10.469 -5.059 711 HD12 LEU 83 HD12 LEU 83 -2.656 8.808 -5.400 712 HD13 LEU 83 HD13 LEU 83 -2.273 10.125 -6.518 713 HD21 LEU 83 HD21 LEU 83 0.075 11.800 -4.010 714 HD22 LEU 83 HD22 LEU 83 -1.679 12.005 -3.813 715 HD23 LEU 83 HD23 LEU 83 -0.943 12.151 -5.418 716 H GLU 84 HN GLU 84 -3.802 10.994 -2.774 717 HA GLU 84 HA GLU 84 -5.661 8.657 -2.880 718 HB2 GLU 84 HB2 GLU 84 -5.874 10.419 -0.917 719 HB3 GLU 84 HB3 GLU 84 -6.533 11.433 -2.195 720 HG2 GLU 84 HG2 GLU 84 -8.055 9.201 -2.574 721 HG3 GLU 84 HG3 GLU 84 -7.699 9.012 -0.880 722 H GLU 85 HN GLU 85 -6.840 8.591 -4.651 723 HA GLU 85 HA GLU 85 -6.345 10.527 -6.803 724 HB2 GLU 85 HB2 GLU 85 -6.443 8.088 -7.215 725 HB3 GLU 85 HB3 GLU 85 -8.159 8.075 -6.765 726 HG2 GLU 85 HG2 GLU 85 -8.744 9.492 -8.635 727 HG3 GLU 85 HG3 GLU 85 -7.044 9.869 -8.961 728 H TYR 86 HN TYR 86 -7.974 11.753 -7.845 729 HA TYR 86 HA TYR 86 -10.623 12.131 -6.684 730 HB2 TYR 86 HB2 TYR 86 -10.084 14.671 -6.754 731 HB3 TYR 86 HB3 TYR 86 -9.417 13.765 -5.402 732 HD1 TYR 86 HD1 TYR 86 -8.532 15.352 -8.678 733 HD2 TYR 86 HD2 TYR 86 -7.040 13.419 -5.118 734 HE1 TYR 86 HE1 TYR 86 -6.239 15.734 -9.454 735 HE2 TYR 86 HE2 TYR 86 -4.726 13.769 -5.902 736 HH TYR 86 HH TYR 86 -4.003 15.299 -9.071 737 H GLN 87 HN GLN 87 -12.003 13.067 -8.274 738 HA GLN 87 HA GLN 87 -11.131 14.263 -10.653 739 HB2 GLN 87 HB2 GLN 87 -12.419 12.639 -12.127 740 HB3 GLN 87 HB3 GLN 87 -10.706 12.443 -11.813 741 HG2 GLN 87 HG2 GLN 87 -11.679 10.294 -11.783 742 HG3 GLN 87 HG3 GLN 87 -11.159 10.711 -10.157 743 HE21 GLN 87 HE21 GLN 87 -12.563 9.219 -9.161 744 HE22 GLN 87 HE22 GLN 87 -14.302 9.403 -9.159 Start of MODEL 25 1 H1 GLY 1 HN GLY 1 -20.911 -8.009 -1.236 2 HA2 GLY 1 HA1 GLY 1 -20.170 -10.158 -1.870 3 HA3 GLY 1 HA2 GLY 1 -18.929 -9.020 -2.426 4 H GLU 2 HN GLU 2 -16.864 -9.032 -1.372 5 HA GLU 2 HA GLU 2 -16.393 -11.080 0.717 6 HB2 GLU 2 HB2 GLU 2 -14.262 -11.609 -0.542 7 HB3 GLU 2 HB3 GLU 2 -15.741 -12.202 -1.279 8 HG2 GLU 2 HG2 GLU 2 -15.590 -10.831 -3.095 9 HG3 GLU 2 HG3 GLU 2 -14.871 -9.508 -2.189 10 H GLU 3 HN GLU 3 -13.783 -10.611 1.277 11 HA GLU 3 HA GLU 3 -13.720 -7.690 1.948 12 HB2 GLU 3 HB2 GLU 3 -12.249 -9.971 3.302 13 HB3 GLU 3 HB3 GLU 3 -12.367 -8.277 3.806 14 HG2 GLU 3 HG2 GLU 3 -14.848 -8.625 4.113 15 HG3 GLU 3 HG3 GLU 3 -14.574 -10.361 3.866 16 H THR 4 HN THR 4 -11.922 -10.414 0.582 17 HA THR 4 HA THR 4 -10.357 -8.810 -1.090 18 HB THR 4 HB THR 4 -8.216 -10.197 -0.017 19 HG1 THR 4 HG1 THR 4 -9.186 -8.918 2.262 20 HG21 THR 4 HG21 THR 4 -8.163 -7.896 -0.861 21 HG22 THR 4 HG22 THR 4 -7.241 -8.126 0.629 22 HG23 THR 4 HG23 THR 4 -8.824 -7.315 0.675 23 HA PRO 5 HA PRO 5 -10.563 -12.943 -2.857 24 HB2 PRO 5 HB2 PRO 5 -8.764 -12.845 -4.899 25 HB3 PRO 5 HB3 PRO 5 -10.266 -11.872 -4.897 26 HG2 PRO 5 HG2 PRO 5 -7.484 -11.013 -4.053 27 HG3 PRO 5 HG3 PRO 5 -8.605 -10.163 -5.170 28 HD2 PRO 5 HD2 PRO 5 -8.369 -9.514 -2.520 29 HD3 PRO 5 HD3 PRO 5 -9.932 -9.409 -3.376 30 H LEU 6 HN LEU 6 -7.933 -11.884 -1.026 31 HA LEU 6 HA LEU 6 -6.201 -14.247 -1.324 32 HB2 LEU 6 HB2 LEU 6 -6.103 -11.964 0.659 33 HB3 LEU 6 HB3 LEU 6 -4.891 -13.224 0.491 34 HG LEU 6 HG LEU 6 -5.570 -11.195 -1.673 35 HD11 LEU 6 HD11 LEU 6 -3.089 -11.422 0.083 36 HD12 LEU 6 HD12 LEU 6 -4.398 -10.250 0.313 37 HD13 LEU 6 HD13 LEU 6 -3.428 -10.197 -1.159 38 HD21 LEU 6 HD21 LEU 6 -3.398 -13.334 -1.569 39 HD22 LEU 6 HD22 LEU 6 -3.523 -12.054 -2.793 40 HD23 LEU 6 HD23 LEU 6 -4.778 -13.295 -2.691 41 H VAL 7 HN VAL 7 -8.840 -14.941 -0.783 42 HA VAL 7 HA VAL 7 -9.390 -15.444 1.955 43 HB VAL 7 HB VAL 7 -11.100 -16.970 1.069 44 HG11 VAL 7 HG11 VAL 7 -11.401 -14.464 1.027 45 HG12 VAL 7 HG12 VAL 7 -11.008 -14.501 -0.704 46 HG13 VAL 7 HG13 VAL 7 -12.427 -15.369 -0.098 47 HG21 VAL 7 HG21 VAL 7 -9.870 -18.015 -0.811 48 HG22 VAL 7 HG22 VAL 7 -11.392 -17.313 -1.355 49 HG23 VAL 7 HG23 VAL 7 -9.874 -16.457 -1.679 50 H THR 8 HN THR 8 -6.677 -16.569 0.522 51 HA THR 8 HA THR 8 -6.868 -19.320 1.635 52 HB THR 8 HB THR 8 -5.395 -18.893 -0.933 53 HG1 THR 8 HG1 THR 8 -7.147 -17.944 -1.673 54 HG21 THR 8 HG21 THR 8 -7.205 -21.105 0.121 55 HG22 THR 8 HG22 THR 8 -5.429 -21.133 0.011 56 HG23 THR 8 HG23 THR 8 -6.411 -21.137 -1.463 57 H ALA 9 HN ALA 9 -4.718 -20.323 1.966 58 HA ALA 9 HA ALA 9 -2.660 -18.730 3.034 59 HB1 ALA 9 HB1 ALA 9 -1.285 -20.784 2.778 60 HB2 ALA 9 HB2 ALA 9 -2.869 -21.110 3.507 61 HB3 ALA 9 HB3 ALA 9 -2.572 -21.513 1.799 62 H ARG 10 HN ARG 10 -1.654 -17.154 1.945 63 HA ARG 10 HA ARG 10 -0.164 -17.764 -0.492 64 HB2 ARG 10 HB2 ARG 10 -1.928 -15.270 -0.413 65 HB3 ARG 10 HB3 ARG 10 -0.870 -15.781 -1.694 66 HG2 ARG 10 HG2 ARG 10 -3.412 -17.268 -0.909 67 HG3 ARG 10 HG3 ARG 10 -3.345 -15.978 -2.093 68 HD2 ARG 10 HD2 ARG 10 -1.806 -17.277 -3.497 69 HD3 ARG 10 HD3 ARG 10 -1.837 -18.602 -2.341 70 HE ARG 10 HE ARG 10 -4.139 -17.568 -3.955 71 HH11 ARG 10 HH11 ARG 10 -2.733 -20.255 -2.075 72 HH12 ARG 10 HH12 ARG 10 -4.050 -21.333 -2.363 73 HH21 ARG 10 HH21 ARG 10 -5.903 -19.027 -4.355 74 HH22 ARG 10 HH22 ARG 10 -5.893 -20.594 -3.677 75 H HIS 11 HN HIS 11 1.868 -17.032 0.094 76 HA HIS 11 HA HIS 11 2.421 -15.487 2.383 77 HB2 HIS 11 HB2 HIS 11 3.838 -17.161 1.247 78 HB3 HIS 11 HB3 HIS 11 4.172 -15.994 -0.036 79 HD1 HIS 11 HD1 HIS 11 5.248 -13.463 1.469 80 HD2 HIS 11 HD2 HIS 11 5.693 -17.434 2.864 81 HE1 HIS 11 HE1 HIS 11 7.328 -13.479 2.917 82 H MET 12 HN MET 12 2.327 -13.330 2.680 83 HA MET 12 HA MET 12 1.627 -11.459 0.530 84 HB2 MET 12 HB2 MET 12 2.260 -11.045 3.487 85 HB3 MET 12 HB3 MET 12 1.658 -9.800 2.384 86 HG2 MET 12 HG2 MET 12 -0.411 -11.157 2.014 87 HG3 MET 12 HG3 MET 12 0.181 -12.312 3.210 88 HE1 MET 12 HE1 MET 12 -2.089 -8.897 3.011 89 HE2 MET 12 HE2 MET 12 -1.004 -7.936 4.034 90 HE3 MET 12 HE3 MET 12 -0.419 -8.645 2.507 91 H SER 13 HN SER 13 2.912 -9.427 0.265 92 HA SER 13 HA SER 13 5.778 -9.853 0.022 93 HB2 SER 13 HB2 SER 13 3.697 -8.104 -1.061 94 HB3 SER 13 HB3 SER 13 5.052 -7.146 -0.497 95 HG SER 13 HG SER 13 6.373 -8.589 -1.866 96 H LYS 14 HN LYS 14 7.379 -8.539 1.171 97 HA LYS 14 HA LYS 14 7.124 -8.253 3.850 98 HB2 LYS 14 HB2 LYS 14 9.303 -8.077 2.702 99 HB3 LYS 14 HB3 LYS 14 8.898 -6.481 2.074 100 HG2 LYS 14 HG2 LYS 14 10.315 -6.032 3.841 101 HG3 LYS 14 HG3 LYS 14 8.721 -5.641 4.449 102 HD2 LYS 14 HD2 LYS 14 8.764 -8.055 5.457 103 HD3 LYS 14 HD3 LYS 14 10.489 -8.024 5.110 104 HE2 LYS 14 HE2 LYS 14 10.868 -6.142 6.574 105 HE3 LYS 14 HE3 LYS 14 9.143 -5.753 6.623 106 HZ1 LYS 14 HZ1 LYS 14 8.685 -7.617 7.903 107 HZ2 LYS 14 HZ2 LYS 14 9.897 -6.816 8.639 108 HZ3 LYS 14 HZ3 LYS 14 10.225 -8.226 7.828 109 H TRP 15 HN TRP 15 6.643 -5.542 1.591 110 HA TRP 15 HA TRP 15 5.940 -3.772 3.780 111 HB2 TRP 15 HB2 TRP 15 6.252 -3.341 0.801 112 HB3 TRP 15 HB3 TRP 15 5.953 -2.067 1.973 113 HD1 TRP 15 HD1 TRP 15 8.766 -3.908 0.365 114 HE1 TRP 15 HE1 TRP 15 11.017 -3.233 1.440 115 HE3 TRP 15 HE3 TRP 15 6.985 -1.444 4.454 116 HZ2 TRP 15 HZ2 TRP 15 11.873 -1.891 3.862 117 HZ3 TRP 15 HZ3 TRP 15 8.545 -0.545 6.167 118 HH2 TRP 15 HH2 TRP 15 10.994 -0.853 5.905 119 H GLU 16 HN GLU 16 4.027 -6.020 2.314 120 HA GLU 16 HA GLU 16 1.742 -4.610 1.398 121 HB2 GLU 16 HB2 GLU 16 2.203 -7.347 2.602 122 HB3 GLU 16 HB3 GLU 16 0.588 -6.778 2.301 123 HG2 GLU 16 HG2 GLU 16 2.541 -6.685 0.063 124 HG3 GLU 16 HG3 GLU 16 1.875 -8.227 0.572 125 H GLU 17 HN GLU 17 2.249 -6.118 4.688 126 HA GLU 17 HA GLU 17 -0.254 -5.154 5.631 127 HB2 GLU 17 HB2 GLU 17 2.254 -6.005 7.125 128 HB3 GLU 17 HB3 GLU 17 0.801 -5.431 7.931 129 HG2 GLU 17 HG2 GLU 17 -0.433 -7.274 6.514 130 HG3 GLU 17 HG3 GLU 17 1.168 -7.999 6.402 131 H ILE 18 HN ILE 18 2.865 -3.586 5.524 132 HA ILE 18 HA ILE 18 2.310 -1.387 7.340 133 HB ILE 18 HB ILE 18 4.340 -1.882 5.133 134 HG12 ILE 18 HG12 ILE 18 4.827 -1.864 8.140 135 HG13 ILE 18 HG13 ILE 18 4.229 -3.322 7.378 136 HG21 ILE 18 HG21 ILE 18 4.375 0.327 7.223 137 HG22 ILE 18 HG22 ILE 18 5.656 -0.031 6.042 138 HG23 ILE 18 HG23 ILE 18 4.093 0.561 5.494 139 HD11 ILE 18 HD11 ILE 18 6.825 -1.965 6.711 140 HD12 ILE 18 HD12 ILE 18 6.611 -3.494 7.574 141 HD13 ILE 18 HD13 ILE 18 6.170 -3.392 5.868 142 H ALA 19 HN ALA 19 2.131 -1.797 3.756 143 HA ALA 19 HA ALA 19 1.171 0.850 3.272 144 HB1 ALA 19 HB1 ALA 19 2.056 -0.571 1.473 145 HB2 ALA 19 HB2 ALA 19 0.737 -1.734 1.710 146 HB3 ALA 19 HB3 ALA 19 0.379 -0.089 1.155 147 H VAL 20 HN VAL 20 -0.498 -2.265 3.817 148 HA VAL 20 HA VAL 20 -3.150 -1.321 3.541 149 HB VAL 20 HB VAL 20 -1.892 -3.668 5.001 150 HG11 VAL 20 HG11 VAL 20 -4.067 -3.243 6.083 151 HG12 VAL 20 HG12 VAL 20 -4.865 -3.223 4.498 152 HG13 VAL 20 HG13 VAL 20 -4.122 -4.708 5.097 153 HG21 VAL 20 HG21 VAL 20 -1.739 -3.584 2.476 154 HG22 VAL 20 HG22 VAL 20 -2.686 -4.941 3.074 155 HG23 VAL 20 HG23 VAL 20 -3.500 -3.497 2.411 156 H LYS 21 HN LYS 21 -1.047 -1.505 6.480 157 HA LYS 21 HA LYS 21 -2.987 -0.624 8.336 158 HB2 LYS 21 HB2 LYS 21 0.022 -0.366 8.247 159 HB3 LYS 21 HB3 LYS 21 -0.916 0.304 9.585 160 HG2 LYS 21 HG2 LYS 21 -1.710 -1.795 10.304 161 HG3 LYS 21 HG3 LYS 21 -1.310 -2.595 8.782 162 HD2 LYS 21 HD2 LYS 21 1.149 -2.023 9.303 163 HD3 LYS 21 HD3 LYS 21 0.606 -1.630 10.935 164 HE2 LYS 21 HE2 LYS 21 0.219 -4.291 9.479 165 HE3 LYS 21 HE3 LYS 21 1.530 -3.963 10.615 166 HZ1 LYS 21 HZ1 LYS 21 -0.115 -3.715 12.364 167 HZ2 LYS 21 HZ2 LYS 21 -0.231 -5.166 11.621 168 HZ3 LYS 21 HZ3 LYS 21 -1.348 -3.997 11.288 169 H GLU 22 HN GLU 22 -0.594 1.374 6.464 170 HA GLU 22 HA GLU 22 -1.597 3.810 7.536 171 HB2 GLU 22 HB2 GLU 22 -0.059 3.321 4.980 172 HB3 GLU 22 HB3 GLU 22 -0.378 4.915 5.727 173 HG2 GLU 22 HG2 GLU 22 0.993 2.719 7.186 174 HG3 GLU 22 HG3 GLU 22 1.908 3.812 6.204 175 H ALA 23 HN ALA 23 -2.452 1.991 4.567 176 HA ALA 23 HA ALA 23 -4.300 3.857 3.513 177 HB1 ALA 23 HB1 ALA 23 -4.257 0.833 3.248 178 HB2 ALA 23 HB2 ALA 23 -5.152 1.971 2.215 179 HB3 ALA 23 HB3 ALA 23 -3.377 2.009 2.243 180 H LYS 24 HN LYS 24 -4.724 1.303 6.025 181 HA LYS 24 HA LYS 24 -7.633 1.837 6.126 182 HB2 LYS 24 HB2 LYS 24 -7.906 -0.115 7.294 183 HB3 LYS 24 HB3 LYS 24 -6.588 -0.510 6.181 184 HG2 LYS 24 HG2 LYS 24 -4.959 -0.010 7.976 185 HG3 LYS 24 HG3 LYS 24 -6.251 0.345 9.109 186 HD2 LYS 24 HD2 LYS 24 -5.838 -2.283 7.572 187 HD3 LYS 24 HD3 LYS 24 -5.208 -2.003 9.202 188 HE2 LYS 24 HE2 LYS 24 -8.176 -1.902 8.463 189 HE3 LYS 24 HE3 LYS 24 -7.354 -3.367 9.022 190 HZ1 LYS 24 HZ1 LYS 24 -7.539 -0.865 10.594 191 HZ2 LYS 24 HZ2 LYS 24 -6.841 -2.290 11.075 192 HZ3 LYS 24 HZ3 LYS 24 -8.460 -2.180 10.817 193 H LYS 25 HN LYS 25 -4.973 3.187 7.620 194 HA LYS 25 HA LYS 25 -6.657 3.852 9.938 195 HB2 LYS 25 HB2 LYS 25 -4.734 4.774 11.015 196 HB3 LYS 25 HB3 LYS 25 -4.481 3.129 10.441 197 HG2 LYS 25 HG2 LYS 25 -2.480 3.961 9.806 198 HG3 LYS 25 HG3 LYS 25 -3.416 4.388 8.396 199 HD2 LYS 25 HD2 LYS 25 -2.385 6.350 8.694 200 HD3 LYS 25 HD3 LYS 25 -3.791 6.701 9.716 201 HE2 LYS 25 HE2 LYS 25 -2.561 6.221 11.724 202 HE3 LYS 25 HE3 LYS 25 -1.287 5.396 10.806 203 HZ1 LYS 25 HZ1 LYS 25 -0.463 7.485 11.403 204 HZ2 LYS 25 HZ2 LYS 25 -1.790 8.291 10.841 205 HZ3 LYS 25 HZ3 LYS 25 -0.762 7.552 9.787 206 H ARG 26 HN ARG 26 -4.909 5.446 7.218 207 HA ARG 26 HA ARG 26 -5.659 8.104 8.010 208 HB2 ARG 26 HB2 ARG 26 -3.571 7.432 6.726 209 HB3 ARG 26 HB3 ARG 26 -4.571 7.227 5.305 210 HG2 ARG 26 HG2 ARG 26 -4.766 9.463 4.935 211 HG3 ARG 26 HG3 ARG 26 -4.912 9.872 6.643 212 HD2 ARG 26 HD2 ARG 26 -2.572 9.911 6.991 213 HD3 ARG 26 HD3 ARG 26 -2.245 9.081 5.478 214 HE ARG 26 HE ARG 26 -2.547 11.020 4.252 215 HH11 ARG 26 HH11 ARG 26 -3.584 11.806 7.561 216 HH12 ARG 26 HH12 ARG 26 -3.166 13.473 7.408 217 HH21 ARG 26 HH21 ARG 26 -2.320 13.200 3.969 218 HH22 ARG 26 HH22 ARG 26 -2.754 14.328 5.238 219 H TYR 27 HN TYR 27 -7.940 6.038 7.139 220 HA TYR 27 HA TYR 27 -9.363 7.953 5.357 221 HB2 TYR 27 HB2 TYR 27 -8.867 5.006 4.790 222 HB3 TYR 27 HB3 TYR 27 -10.178 5.912 4.057 223 HD1 TYR 27 HD1 TYR 27 -6.480 5.665 4.254 224 HD2 TYR 27 HD2 TYR 27 -9.857 7.531 2.343 225 HE1 TYR 27 HE1 TYR 27 -4.995 6.462 2.510 226 HE2 TYR 27 HE2 TYR 27 -8.379 8.397 0.586 227 HH TYR 27 HH TYR 27 -5.048 7.570 0.108 228 HA PRO 28 HA PRO 28 -11.345 6.240 9.204 229 HB2 PRO 28 HB2 PRO 28 -12.530 8.644 10.005 230 HB3 PRO 28 HB3 PRO 28 -10.896 8.074 10.471 231 HG2 PRO 28 HG2 PRO 28 -11.673 9.969 8.237 232 HG3 PRO 28 HG3 PRO 28 -10.291 10.101 9.381 233 HD2 PRO 28 HD2 PRO 28 -9.846 9.263 6.961 234 HD3 PRO 28 HD3 PRO 28 -9.057 8.480 8.367 235 H LEU 29 HN LEU 29 -12.747 8.025 6.490 236 HA LEU 29 HA LEU 29 -15.470 7.190 7.250 237 HB2 LEU 29 HB2 LEU 29 -14.315 8.790 4.947 238 HB3 LEU 29 HB3 LEU 29 -15.955 8.190 4.886 239 HG LEU 29 HG LEU 29 -15.939 10.465 5.643 240 HD11 LEU 29 HD11 LEU 29 -17.384 10.252 7.534 241 HD12 LEU 29 HD12 LEU 29 -16.672 8.709 8.025 242 HD13 LEU 29 HD13 LEU 29 -17.627 8.799 6.537 243 HD21 LEU 29 HD21 LEU 29 -15.010 11.227 7.731 244 HD22 LEU 29 HD22 LEU 29 -13.711 10.494 6.774 245 HD23 LEU 29 HD23 LEU 29 -14.430 9.609 8.142 246 H ALA 30 HN ALA 30 -12.910 5.540 5.741 247 HA ALA 30 HA ALA 30 -14.818 3.881 4.164 248 HB1 ALA 30 HB1 ALA 30 -12.153 5.038 3.255 249 HB2 ALA 30 HB2 ALA 30 -13.168 3.892 2.346 250 HB3 ALA 30 HB3 ALA 30 -13.765 5.523 2.688 251 H GLN 31 HN GLN 31 -13.790 1.830 3.422 252 HA GLN 31 HA GLN 31 -11.992 0.691 5.550 253 HB2 GLN 31 HB2 GLN 31 -14.281 -0.595 4.016 254 HB3 GLN 31 HB3 GLN 31 -13.134 -1.495 5.000 255 HG2 GLN 31 HG2 GLN 31 -15.354 0.312 5.827 256 HG3 GLN 31 HG3 GLN 31 -14.959 -1.294 6.419 257 HE21 GLN 31 HE21 GLN 31 -14.945 1.851 7.073 258 HE22 GLN 31 HE22 GLN 31 -13.905 2.017 8.469 259 H VAL 32 HN VAL 32 -10.495 -0.752 4.931 260 HA VAL 32 HA VAL 32 -9.594 -0.449 2.144 261 HB VAL 32 HB VAL 32 -8.282 -1.359 4.700 262 HG11 VAL 32 HG11 VAL 32 -6.901 -1.623 1.995 263 HG12 VAL 32 HG12 VAL 32 -6.143 -1.727 3.575 264 HG13 VAL 32 HG13 VAL 32 -7.312 -2.956 3.083 265 HG21 VAL 32 HG21 VAL 32 -8.360 1.033 4.209 266 HG22 VAL 32 HG22 VAL 32 -6.697 0.445 4.016 267 HG23 VAL 32 HG23 VAL 32 -7.673 0.759 2.592 268 H LEU 33 HN LEU 33 -10.157 -1.982 0.699 269 HA LEU 33 HA LEU 33 -11.020 -4.700 1.576 270 HB2 LEU 33 HB2 LEU 33 -11.926 -3.341 -0.947 271 HB3 LEU 33 HB3 LEU 33 -12.672 -4.668 -0.055 272 HG LEU 33 HG LEU 33 -12.685 -1.705 0.663 273 HD11 LEU 33 HD11 LEU 33 -14.724 -3.694 -0.405 274 HD12 LEU 33 HD12 LEU 33 -14.104 -2.204 -1.173 275 HD13 LEU 33 HD13 LEU 33 -15.140 -2.124 0.266 276 HD21 LEU 33 HD21 LEU 33 -12.719 -3.013 2.786 277 HD22 LEU 33 HD22 LEU 33 -14.086 -3.963 2.136 278 HD23 LEU 33 HD23 LEU 33 -14.262 -2.222 2.459 279 H PHE 34 HN PHE 34 -8.306 -3.467 0.200 280 HA PHE 34 HA PHE 34 -8.001 -5.781 -1.612 281 HB2 PHE 34 HB2 PHE 34 -8.184 -2.976 -2.453 282 HB3 PHE 34 HB3 PHE 34 -6.607 -3.644 -2.824 283 HD1 PHE 34 HD2 PHE 34 -6.357 -5.588 -4.379 284 HD2 PHE 34 HD1 PHE 34 -10.194 -3.744 -3.602 285 HE1 PHE 34 HE2 PHE 34 -7.260 -6.546 -6.473 286 HE2 PHE 34 HE1 PHE 34 -11.055 -4.655 -5.728 287 HZ PHE 34 HZ PHE 34 -9.584 -6.074 -7.168 288 H LYS 35 HN LYS 35 -5.835 -6.475 -1.687 289 HA LYS 35 HA LYS 35 -3.782 -4.993 -0.154 290 HB2 LYS 35 HB2 LYS 35 -4.561 -7.874 0.419 291 HB3 LYS 35 HB3 LYS 35 -3.156 -7.005 1.072 292 HG2 LYS 35 HG2 LYS 35 -4.792 -5.276 1.980 293 HG3 LYS 35 HG3 LYS 35 -6.107 -6.351 1.557 294 HD2 LYS 35 HD2 LYS 35 -3.860 -7.094 3.438 295 HD3 LYS 35 HD3 LYS 35 -5.377 -6.323 3.929 296 HE2 LYS 35 HE2 LYS 35 -6.629 -8.242 2.787 297 HE3 LYS 35 HE3 LYS 35 -5.066 -9.067 2.648 298 HZ1 LYS 35 HZ1 LYS 35 -6.074 -9.840 4.577 299 HZ2 LYS 35 HZ2 LYS 35 -6.557 -8.371 5.102 300 HZ3 LYS 35 HZ3 LYS 35 -4.954 -8.764 5.153 301 H GLN 36 HN GLN 36 -2.825 -4.511 -2.268 302 HA GLN 36 HA GLN 36 -1.134 -6.642 -3.128 303 HB2 GLN 36 HB2 GLN 36 -3.217 -7.030 -4.505 304 HB3 GLN 36 HB3 GLN 36 -2.963 -5.437 -5.227 305 HG2 GLN 36 HG2 GLN 36 -1.362 -6.201 -6.619 306 HG3 GLN 36 HG3 GLN 36 -0.533 -7.103 -5.347 307 HE21 GLN 36 HE21 GLN 36 -2.040 -7.564 -8.291 308 HE22 GLN 36 HE22 GLN 36 -2.467 -9.247 -8.057 309 H LYS 37 HN LYS 37 0.583 -5.889 -4.340 310 HA LYS 37 HA LYS 37 1.412 -3.103 -4.153 311 HB2 LYS 37 HB2 LYS 37 3.430 -4.031 -5.445 312 HB3 LYS 37 HB3 LYS 37 3.149 -4.673 -3.836 313 HG2 LYS 37 HG2 LYS 37 2.074 -6.695 -4.830 314 HG3 LYS 37 HG3 LYS 37 2.433 -6.073 -6.437 315 HD2 LYS 37 HD2 LYS 37 4.768 -6.269 -6.097 316 HD3 LYS 37 HD3 LYS 37 4.613 -6.457 -4.335 317 HE2 LYS 37 HE2 LYS 37 3.466 -8.448 -6.320 318 HE3 LYS 37 HE3 LYS 37 5.116 -8.577 -5.681 319 HZ1 LYS 37 HZ1 LYS 37 3.505 -9.908 -4.464 320 HZ2 LYS 37 HZ2 LYS 37 2.686 -8.578 -3.993 321 HZ3 LYS 37 HZ3 LYS 37 4.241 -8.816 -3.486 322 H VAL 38 HN VAL 38 2.257 -1.972 -6.090 323 HA VAL 38 HA VAL 38 1.181 -2.851 -8.693 324 HB VAL 38 HB VAL 38 0.597 -0.460 -9.231 325 HG11 VAL 38 HG11 VAL 38 -1.632 -0.560 -8.290 326 HG12 VAL 38 HG12 VAL 38 -1.118 -2.170 -8.811 327 HG13 VAL 38 HG13 VAL 38 -1.104 -1.763 -7.089 328 HG21 VAL 38 HG21 VAL 38 0.096 1.113 -7.483 329 HG22 VAL 38 HG22 VAL 38 0.566 -0.041 -6.218 330 HG23 VAL 38 HG23 VAL 38 1.785 0.630 -7.327 331 H TRP 39 HN TRP 39 3.929 -2.091 -6.972 332 HA TRP 39 HA TRP 39 5.344 -1.060 -9.348 333 HB2 TRP 39 HB2 TRP 39 4.201 0.772 -7.808 334 HB3 TRP 39 HB3 TRP 39 5.527 0.430 -6.712 335 HD1 TRP 39 HD1 TRP 39 4.835 1.541 -10.324 336 HE1 TRP 39 HE1 TRP 39 6.818 2.923 -11.197 337 HE3 TRP 39 HE3 TRP 39 8.013 1.227 -6.301 338 HZ2 TRP 39 HZ2 TRP 39 9.078 4.283 -10.083 339 HZ3 TRP 39 HZ3 TRP 39 10.040 2.630 -6.235 340 HH2 TRP 39 HH2 TRP 39 10.512 4.253 -8.046 341 H ASP 40 HN ASP 40 7.638 -1.401 -9.234 342 HA ASP 40 HA ASP 40 8.947 -2.022 -6.744 343 HB2 ASP 40 HB2 ASP 40 8.058 -4.290 -7.245 344 HB3 ASP 40 HB3 ASP 40 8.837 -4.256 -8.825 345 H ARG 41 HN ARG 41 10.637 -0.578 -7.089 346 HA ARG 41 HA ARG 41 12.485 -1.014 -9.284 347 HB2 ARG 41 HB2 ARG 41 10.758 0.347 -10.385 348 HB3 ARG 41 HB3 ARG 41 10.782 1.493 -9.063 349 HG2 ARG 41 HG2 ARG 41 13.304 1.033 -10.695 350 HG3 ARG 41 HG3 ARG 41 11.963 1.983 -11.350 351 HD2 ARG 41 HD2 ARG 41 12.009 3.337 -9.198 352 HD3 ARG 41 HD3 ARG 41 13.628 2.664 -8.912 353 HE ARG 41 HE ARG 41 12.702 4.553 -10.975 354 HH11 ARG 41 HH11 ARG 41 15.517 2.545 -9.971 355 HH12 ARG 41 HH12 ARG 41 16.555 3.262 -11.135 356 HH21 ARG 41 HH21 ARG 41 14.175 5.677 -12.194 357 HH22 ARG 41 HH22 ARG 41 15.741 5.016 -12.548 358 H LYS 42 HN LYS 42 14.545 -0.439 -8.503 359 HA LYS 42 HA LYS 42 14.533 0.830 -5.799 360 HB2 LYS 42 HB2 LYS 42 15.027 -1.612 -6.070 361 HB3 LYS 42 HB3 LYS 42 16.503 -1.170 -6.943 362 HG2 LYS 42 HG2 LYS 42 17.401 -0.115 -4.941 363 HG3 LYS 42 HG3 LYS 42 15.828 -0.207 -4.154 364 HD2 LYS 42 HD2 LYS 42 17.302 -1.844 -3.232 365 HD3 LYS 42 HD3 LYS 42 15.982 -2.662 -4.057 366 HE2 LYS 42 HE2 LYS 42 17.389 -3.283 -5.904 367 HE3 LYS 42 HE3 LYS 42 18.672 -2.162 -5.402 368 HZ1 LYS 42 HZ1 LYS 42 19.229 -3.517 -3.610 369 HZ2 LYS 42 HZ2 LYS 42 19.108 -4.497 -4.889 370 HZ3 LYS 42 HZ3 LYS 42 17.890 -4.525 -3.806 371 H ARG 43 HN ARG 43 16.574 1.974 -5.231 372 HA ARG 43 HA ARG 43 17.745 3.474 -7.529 373 HB2 ARG 43 HB2 ARG 43 17.585 4.236 -4.564 374 HB3 ARG 43 HB3 ARG 43 18.548 5.060 -5.765 375 HG2 ARG 43 HG2 ARG 43 16.737 6.400 -5.712 376 HG3 ARG 43 HG3 ARG 43 16.392 5.408 -7.112 377 HD2 ARG 43 HD2 ARG 43 14.735 4.151 -5.934 378 HD3 ARG 43 HD3 ARG 43 15.244 4.834 -4.375 379 HE ARG 43 HE ARG 43 14.605 7.077 -5.410 380 HH11 ARG 43 HH11 ARG 43 12.619 4.124 -5.850 381 HH12 ARG 43 HH12 ARG 43 11.150 5.061 -5.964 382 HH21 ARG 43 HH21 ARG 43 12.649 8.209 -5.813 383 HH22 ARG 43 HH22 ARG 43 11.155 7.367 -5.838 384 H LYS 44 HN LYS 44 20.236 4.065 -6.111 385 HA LYS 44 HA LYS 44 21.562 1.434 -6.332 386 HB2 LYS 44 HB2 LYS 44 22.446 4.290 -5.985 387 HB3 LYS 44 HB3 LYS 44 23.464 3.033 -5.311 388 HG2 LYS 44 HG2 LYS 44 24.156 3.726 -7.550 389 HG3 LYS 44 HG3 LYS 44 23.890 2.005 -7.389 390 HD2 LYS 44 HD2 LYS 44 21.649 3.710 -8.516 391 HD3 LYS 44 HD3 LYS 44 23.084 3.400 -9.504 392 HE2 LYS 44 HE2 LYS 44 22.857 0.967 -9.136 393 HE3 LYS 44 HE3 LYS 44 21.358 1.220 -8.245 394 HZ1 LYS 44 HZ1 LYS 44 21.722 2.067 -11.053 395 HZ2 LYS 44 HZ2 LYS 44 20.292 1.934 -10.196 396 HZ3 LYS 44 HZ3 LYS 44 21.117 0.607 -10.606 397 H ASP 45 HN ASP 45 21.023 3.815 -3.668 398 HA ASP 45 HA ASP 45 21.515 1.574 -1.753 399 HB2 ASP 45 HB2 ASP 45 22.202 4.492 -1.406 400 HB3 ASP 45 HB3 ASP 45 22.673 3.153 -0.372 401 H GLU 46 HN GLU 46 18.908 2.758 -2.871 402 HA GLU 46 HA GLU 46 17.495 3.049 -0.352 403 HB2 GLU 46 HB2 GLU 46 18.212 5.392 -1.774 404 HB3 GLU 46 HB3 GLU 46 16.545 5.062 -2.273 405 HG2 GLU 46 HG2 GLU 46 15.779 5.063 0.016 406 HG3 GLU 46 HG3 GLU 46 17.438 5.203 0.626 407 H ALA 47 HN ALA 47 15.117 2.752 -0.806 408 HA ALA 47 HA ALA 47 14.452 1.559 -3.426 409 HB1 ALA 47 HB1 ALA 47 14.241 0.165 -0.730 410 HB2 ALA 47 HB2 ALA 47 13.759 -0.500 -2.321 411 HB3 ALA 47 HB3 ALA 47 15.469 -0.218 -1.940 412 H VAL 48 HN VAL 48 12.105 1.370 -3.668 413 HA VAL 48 HA VAL 48 10.435 2.423 -1.525 414 HB VAL 48 HB VAL 48 10.310 3.687 -4.284 415 HG11 VAL 48 HG11 VAL 48 8.218 3.622 -2.825 416 HG12 VAL 48 HG12 VAL 48 9.066 4.714 -1.710 417 HG13 VAL 48 HG13 VAL 48 8.728 5.223 -3.367 418 HG21 VAL 48 HG21 VAL 48 11.150 5.808 -3.355 419 HG22 VAL 48 HG22 VAL 48 11.500 5.017 -1.814 420 HG23 VAL 48 HG23 VAL 48 12.388 4.560 -3.261 421 H LYS 49 HN LYS 49 8.618 1.062 -1.528 422 HA LYS 49 HA LYS 49 7.804 -0.219 -4.096 423 HB2 LYS 49 HB2 LYS 49 8.616 -1.623 -1.555 424 HB3 LYS 49 HB3 LYS 49 7.252 -2.260 -2.442 425 HG2 LYS 49 HG2 LYS 49 8.554 -2.795 -4.344 426 HG3 LYS 49 HG3 LYS 49 9.787 -1.618 -3.936 427 HD2 LYS 49 HD2 LYS 49 10.841 -3.621 -3.521 428 HD3 LYS 49 HD3 LYS 49 10.408 -2.992 -1.945 429 HE2 LYS 49 HE2 LYS 49 10.071 -5.296 -1.836 430 HE3 LYS 49 HE3 LYS 49 8.449 -4.581 -1.886 431 HZ1 LYS 49 HZ1 LYS 49 9.009 -6.587 -3.331 432 HZ2 LYS 49 HZ2 LYS 49 9.752 -5.507 -4.356 433 HZ3 LYS 49 HZ3 LYS 49 8.177 -5.352 -4.064 434 H GLN 50 HN GLN 50 6.031 0.946 -4.401 435 HA GLN 50 HA GLN 50 4.317 1.731 -2.129 436 HB2 GLN 50 HB2 GLN 50 4.280 2.426 -5.095 437 HB3 GLN 50 HB3 GLN 50 3.203 3.084 -3.866 438 HG2 GLN 50 HG2 GLN 50 4.595 4.676 -3.324 439 HG3 GLN 50 HG3 GLN 50 5.900 3.539 -2.953 440 HE21 GLN 50 HE21 GLN 50 4.136 5.259 -5.628 441 HE22 GLN 50 HE22 GLN 50 5.484 5.285 -6.755 442 H TYR 51 HN TYR 51 1.923 1.516 -2.502 443 HA TYR 51 HA TYR 51 1.158 -0.996 -3.880 444 HB2 TYR 51 HB2 TYR 51 0.579 -0.321 -0.976 445 HB3 TYR 51 HB3 TYR 51 -0.176 -1.618 -1.852 446 HD1 TYR 51 HD1 TYR 51 3.272 -0.410 -0.812 447 HD2 TYR 51 HD2 TYR 51 0.731 -3.773 -1.726 448 HE1 TYR 51 HE1 TYR 51 5.188 -1.915 -0.598 449 HE2 TYR 51 HE2 TYR 51 2.655 -5.275 -1.548 450 HH TYR 51 HH TYR 51 5.827 -4.058 -1.649 451 H HIS 52 HN HIS 52 -1.430 -1.141 -3.587 452 HA HIS 52 HA HIS 52 -2.705 1.483 -3.867 453 HB2 HIS 52 HB2 HIS 52 -1.854 0.872 -6.156 454 HB3 HIS 52 HB3 HIS 52 -2.714 -0.671 -6.026 455 HD1 HIS 52 HD1 HIS 52 -4.226 2.828 -5.186 456 HD2 HIS 52 HD2 HIS 52 -4.405 -0.319 -7.997 457 HE1 HIS 52 HE1 HIS 52 -5.989 3.477 -6.874 458 H LEU 53 HN LEU 53 -4.390 1.101 -2.332 459 HA LEU 53 HA LEU 53 -5.770 -1.510 -2.521 460 HB2 LEU 53 HB2 LEU 53 -5.556 0.289 -0.096 461 HB3 LEU 53 HB3 LEU 53 -6.059 -1.386 -0.212 462 HG LEU 53 HG LEU 53 -4.152 -1.405 0.928 463 HD11 LEU 53 HD11 LEU 53 -2.797 -2.223 -1.611 464 HD12 LEU 53 HD12 LEU 53 -4.285 -3.040 -1.145 465 HD13 LEU 53 HD13 LEU 53 -2.904 -3.039 -0.029 466 HD21 LEU 53 HD21 LEU 53 -2.509 0.120 -1.071 467 HD22 LEU 53 HD22 LEU 53 -1.985 -0.586 0.471 468 HD23 LEU 53 HD23 LEU 53 -3.159 0.731 0.453 469 H THR 54 HN THR 54 -7.969 -1.360 -2.990 470 HA THR 54 HA THR 54 -9.191 1.219 -3.605 471 HB THR 54 HB THR 54 -10.282 -1.607 -3.659 472 HG1 THR 54 HG1 THR 54 -8.528 -1.179 -5.062 473 HG21 THR 54 HG21 THR 54 -11.970 -0.715 -5.242 474 HG22 THR 54 HG22 THR 54 -11.409 0.940 -4.889 475 HG23 THR 54 HG23 THR 54 -12.159 -0.061 -3.616 476 H LEU 55 HN LEU 55 -10.223 2.413 -2.142 477 HA LEU 55 HA LEU 55 -11.004 1.255 0.473 478 HB2 LEU 55 HB2 LEU 55 -10.659 4.050 -0.613 479 HB3 LEU 55 HB3 LEU 55 -11.689 3.800 0.758 480 HG LEU 55 HG LEU 55 -9.468 4.530 1.386 481 HD11 LEU 55 HD11 LEU 55 -9.902 1.772 2.455 482 HD12 LEU 55 HD12 LEU 55 -10.806 3.201 2.980 483 HD13 LEU 55 HD13 LEU 55 -9.055 3.135 3.218 484 HD21 LEU 55 HD21 LEU 55 -7.506 3.181 1.196 485 HD22 LEU 55 HD22 LEU 55 -8.250 3.355 -0.416 486 HD23 LEU 55 HD23 LEU 55 -8.428 1.841 0.481 487 H ARG 56 HN ARG 56 -13.104 1.581 1.227 488 HA ARG 56 HA ARG 56 -15.213 2.403 -0.716 489 HB2 ARG 56 HB2 ARG 56 -15.004 -0.032 -0.618 490 HB3 ARG 56 HB3 ARG 56 -15.410 -0.005 1.106 491 HG2 ARG 56 HG2 ARG 56 -17.665 0.830 0.602 492 HG3 ARG 56 HG3 ARG 56 -17.198 1.189 -1.053 493 HD2 ARG 56 HD2 ARG 56 -18.383 -0.852 -1.261 494 HD3 ARG 56 HD3 ARG 56 -16.694 -1.303 -1.356 495 HE ARG 56 HE ARG 56 -17.611 -1.469 1.351 496 HH11 ARG 56 HH11 ARG 56 -17.797 -3.142 -1.821 497 HH12 ARG 56 HH12 ARG 56 -18.140 -4.678 -1.147 498 HH21 ARG 56 HH21 ARG 56 -17.833 -3.595 2.236 499 HH22 ARG 56 HH22 ARG 56 -18.007 -4.985 1.224 500 H GLU 57 HN GLU 57 -15.722 4.216 0.006 501 HA GLU 57 HA GLU 57 -16.516 4.815 2.781 502 HB2 GLU 57 HB2 GLU 57 -15.618 6.689 1.518 503 HB3 GLU 57 HB3 GLU 57 -16.640 6.348 0.128 504 HG2 GLU 57 HG2 GLU 57 -18.072 6.855 2.722 505 HG3 GLU 57 HG3 GLU 57 -17.150 8.201 2.078 506 H GLY 58 HN GLY 58 -18.581 4.382 3.271 507 HA2 GLY 58 HA1 GLY 58 -20.856 3.876 3.050 508 HA3 GLY 58 HA2 GLY 58 -20.653 5.282 2.016 509 H SER 59 HN SER 59 -20.661 5.031 -0.195 510 HA SER 59 HA SER 59 -21.439 2.420 -1.341 511 HB2 SER 59 HB2 SER 59 -23.123 3.958 -2.746 512 HB3 SER 59 HB3 SER 59 -23.546 3.103 -1.264 513 HG SER 59 HG SER 59 -23.432 5.782 -1.742 514 H LYS 60 HN LYS 60 -18.971 4.482 -1.442 515 HA LYS 60 HA LYS 60 -18.731 4.445 -4.422 516 HB2 LYS 60 HB2 LYS 60 -18.785 6.733 -3.709 517 HB3 LYS 60 HB3 LYS 60 -17.761 6.366 -2.311 518 HG2 LYS 60 HG2 LYS 60 -16.296 7.516 -3.645 519 HG3 LYS 60 HG3 LYS 60 -15.897 5.865 -3.993 520 HD2 LYS 60 HD2 LYS 60 -17.629 6.251 -6.036 521 HD3 LYS 60 HD3 LYS 60 -17.205 7.957 -5.713 522 HE2 LYS 60 HE2 LYS 60 -14.776 6.827 -5.500 523 HE3 LYS 60 HE3 LYS 60 -15.516 5.630 -6.562 524 HZ1 LYS 60 HZ1 LYS 60 -15.042 8.500 -7.158 525 HZ2 LYS 60 HZ2 LYS 60 -15.972 7.524 -8.110 526 HZ3 LYS 60 HZ3 LYS 60 -14.409 7.180 -7.911 527 H GLU 61 HN GLU 61 -16.911 3.558 -5.177 528 HA GLU 61 HA GLU 61 -14.844 2.549 -3.279 529 HB2 GLU 61 HB2 GLU 61 -16.053 1.118 -5.646 530 HB3 GLU 61 HB3 GLU 61 -14.384 0.787 -5.148 531 HG2 GLU 61 HG2 GLU 61 -15.002 0.131 -2.953 532 HG3 GLU 61 HG3 GLU 61 -16.629 0.791 -3.129 533 H PHE 62 HN PHE 62 -12.937 3.383 -3.574 534 HA PHE 62 HA PHE 62 -12.212 4.721 -6.112 535 HB2 PHE 62 HB2 PHE 62 -11.336 6.638 -4.854 536 HB3 PHE 62 HB3 PHE 62 -13.066 6.527 -4.802 537 HD1 PHE 62 HD1 PHE 62 -14.184 5.468 -2.637 538 HD2 PHE 62 HD2 PHE 62 -10.139 6.901 -2.835 539 HE1 PHE 62 HE1 PHE 62 -14.166 5.738 -0.202 540 HE2 PHE 62 HE2 PHE 62 -10.112 7.145 -0.363 541 HZ PHE 62 HZ PHE 62 -12.111 6.522 0.975 542 H GLY 63 HN GLY 63 -9.968 4.485 -6.557 543 HA2 GLY 63 HA1 GLY 63 -8.456 2.637 -4.858 544 HA3 GLY 63 HA2 GLY 63 -8.006 3.315 -6.419 545 H VAL 64 HN VAL 64 -6.626 3.280 -3.558 546 HA VAL 64 HA VAL 64 -5.752 6.073 -3.911 547 HB VAL 64 HB VAL 64 -5.819 6.549 -1.687 548 HG11 VAL 64 HG11 VAL 64 -8.057 6.314 -0.852 549 HG12 VAL 64 HG12 VAL 64 -8.013 6.689 -2.573 550 HG13 VAL 64 HG13 VAL 64 -8.398 5.040 -2.028 551 HG21 VAL 64 HG21 VAL 64 -6.070 3.667 -0.980 552 HG22 VAL 64 HG22 VAL 64 -4.840 4.877 -0.505 553 HG23 VAL 64 HG23 VAL 64 -6.460 4.986 0.159 554 H PHE 65 HN PHE 65 -3.539 6.349 -2.814 555 HA PHE 65 HA PHE 65 -1.935 3.867 -3.314 556 HB2 PHE 65 HB2 PHE 65 -1.429 6.679 -4.303 557 HB3 PHE 65 HB3 PHE 65 -0.264 5.362 -4.410 558 HD1 PHE 65 HD1 PHE 65 -1.056 3.219 -5.762 559 HD2 PHE 65 HD2 PHE 65 -3.056 7.023 -5.913 560 HE1 PHE 65 HE1 PHE 65 -1.934 2.669 -8.006 561 HE2 PHE 65 HE2 PHE 65 -4.030 6.422 -8.113 562 HZ PHE 65 HZ PHE 65 -3.430 4.274 -9.185 563 H VAL 66 HN VAL 66 0.401 4.189 -2.500 564 HA VAL 66 HA VAL 66 0.548 5.536 0.077 565 HB VAL 66 HB VAL 66 -0.793 3.810 0.822 566 HG11 VAL 66 HG11 VAL 66 -0.721 2.414 -1.176 567 HG12 VAL 66 HG12 VAL 66 0.850 1.785 -0.622 568 HG13 VAL 66 HG13 VAL 66 -0.665 1.571 0.348 569 HG21 VAL 66 HG21 VAL 66 1.907 2.571 1.345 570 HG22 VAL 66 HG22 VAL 66 1.469 4.147 2.008 571 HG23 VAL 66 HG23 VAL 66 0.482 2.739 2.412 572 H THR 67 HN THR 67 2.591 6.248 0.245 573 HA THR 67 HA THR 67 4.706 4.904 -1.312 574 HB THR 67 HB THR 67 4.631 7.695 -0.119 575 HG1 THR 67 HG1 THR 67 4.695 8.165 -2.466 576 HG21 THR 67 HG21 THR 67 6.707 8.042 -1.421 577 HG22 THR 67 HG22 THR 67 6.675 6.355 -1.962 578 HG23 THR 67 HG23 THR 67 6.943 6.768 -0.253 579 H ILE 68 HN ILE 68 6.410 4.054 -0.380 580 HA ILE 68 HA ILE 68 6.932 4.264 2.490 581 HB ILE 68 HB ILE 68 6.504 1.712 0.888 582 HG12 ILE 68 HG12 ILE 68 4.969 2.631 3.363 583 HG13 ILE 68 HG13 ILE 68 4.362 2.678 1.704 584 HG21 ILE 68 HG21 ILE 68 8.469 1.620 2.522 585 HG22 ILE 68 HG22 ILE 68 7.368 2.086 3.831 586 HG23 ILE 68 HG23 ILE 68 7.183 0.531 3.002 587 HD11 ILE 68 HD11 ILE 68 5.039 0.145 3.236 588 HD12 ILE 68 HD12 ILE 68 3.454 0.760 2.782 589 HD13 ILE 68 HD13 ILE 68 4.578 0.215 1.518 590 H SER 69 HN SER 69 8.921 5.203 2.175 591 HA SER 69 HA SER 69 10.747 4.163 0.065 592 HB2 SER 69 HB2 SER 69 11.019 6.602 1.864 593 HB3 SER 69 HB3 SER 69 12.074 6.123 0.529 594 HG SER 69 HG SER 69 10.539 7.814 0.109 595 H PHE 70 HN PHE 70 12.662 3.111 0.771 596 HA PHE 70 HA PHE 70 13.215 2.822 3.600 597 HB2 PHE 70 HB2 PHE 70 12.771 0.499 3.741 598 HB3 PHE 70 HB3 PHE 70 11.299 1.257 3.212 599 HD1 PHE 70 HD2 PHE 70 10.689 1.039 0.634 600 HD2 PHE 70 HD1 PHE 70 13.868 -1.122 2.499 601 HE1 PHE 70 HE2 PHE 70 10.751 -0.551 -1.274 602 HE2 PHE 70 HE1 PHE 70 13.925 -2.749 0.621 603 HZ PHE 70 HZ PHE 70 12.376 -2.456 -1.278 604 H ASP 71 HN ASP 71 15.010 0.819 3.586 605 HA ASP 71 HA ASP 71 16.882 1.570 1.425 606 HB2 ASP 71 HB2 ASP 71 18.573 1.705 2.847 607 HB3 ASP 71 HB3 ASP 71 17.295 2.400 3.809 608 HA PRO 72 HA PRO 72 17.373 -2.692 0.406 609 HB2 PRO 72 HB2 PRO 72 19.821 -2.788 -0.728 610 HB3 PRO 72 HB3 PRO 72 18.464 -1.907 -1.482 611 HG2 PRO 72 HG2 PRO 72 20.696 -0.728 0.190 612 HG3 PRO 72 HG3 PRO 72 20.076 -0.171 -1.397 613 HD2 PRO 72 HD2 PRO 72 19.240 0.905 0.969 614 HD3 PRO 72 HD3 PRO 72 18.133 0.728 -0.423 615 H TYR 73 HN TYR 73 19.796 -1.093 2.447 616 HA TYR 73 HA TYR 73 21.486 -3.214 2.986 617 HB2 TYR 73 HB2 TYR 73 20.682 -0.916 4.821 618 HB3 TYR 73 HB3 TYR 73 22.029 -1.981 5.109 619 HD1 TYR 73 HD2 TYR 73 20.767 0.742 2.876 620 HD2 TYR 73 HD1 TYR 73 24.158 -1.634 4.089 621 HE1 TYR 73 HE2 TYR 73 22.259 2.238 1.618 622 HE2 TYR 73 HE1 TYR 73 25.663 -0.127 2.837 623 HH TYR 73 HH TYR 73 25.771 1.525 1.284 624 H SER 74 HN SER 74 18.613 -2.148 4.828 625 HA SER 74 HA SER 74 18.417 -4.768 6.203 626 HB2 SER 74 HB2 SER 74 20.076 -3.027 7.215 627 HB3 SER 74 HB3 SER 74 18.627 -2.100 7.614 628 HG SER 74 HG SER 74 19.295 -3.309 9.312 629 H GLN 75 HN GLN 75 16.799 -2.273 4.553 630 HA GLN 75 HA GLN 75 14.709 -1.665 4.314 631 HB2 GLN 75 HB2 GLN 75 14.082 -4.204 5.852 632 HB3 GLN 75 HB3 GLN 75 12.837 -3.019 5.555 633 HG2 GLN 75 HG2 GLN 75 12.612 -4.595 3.811 634 HG3 GLN 75 HG3 GLN 75 13.383 -3.193 3.092 635 HE21 GLN 75 HE21 GLN 75 15.679 -3.257 2.446 636 HE22 GLN 75 HE22 GLN 75 16.305 -4.865 2.123 637 H LYS 76 HN LYS 76 16.332 -0.144 5.728 638 HA LYS 76 HA LYS 76 14.958 0.614 8.232 639 HB2 LYS 76 HB2 LYS 76 17.521 0.895 7.572 640 HB3 LYS 76 HB3 LYS 76 16.982 2.345 6.747 641 HG2 LYS 76 HG2 LYS 76 16.390 1.728 9.674 642 HG3 LYS 76 HG3 LYS 76 17.859 2.539 9.158 643 HD2 LYS 76 HD2 LYS 76 16.883 4.518 9.002 644 HD3 LYS 76 HD3 LYS 76 15.553 3.900 8.024 645 HE2 LYS 76 HE2 LYS 76 14.478 3.088 10.199 646 HE3 LYS 76 HE3 LYS 76 15.783 3.913 11.068 647 HZ1 LYS 76 HZ1 LYS 76 13.889 5.364 10.930 648 HZ2 LYS 76 HZ2 LYS 76 13.786 5.180 9.289 649 HZ3 LYS 76 HZ3 LYS 76 15.045 5.976 9.917 650 H VAL 77 HN VAL 77 13.045 1.643 8.012 651 HA VAL 77 HA VAL 77 12.022 2.669 5.543 652 HB VAL 77 HB VAL 77 11.235 3.238 8.421 653 HG11 VAL 77 HG11 VAL 77 9.069 3.931 7.505 654 HG12 VAL 77 HG12 VAL 77 10.330 4.984 6.909 655 HG13 VAL 77 HG13 VAL 77 9.664 3.726 5.840 656 HG21 VAL 77 HG21 VAL 77 11.066 0.834 7.803 657 HG22 VAL 77 HG22 VAL 77 9.489 1.568 8.080 658 HG23 VAL 77 HG23 VAL 77 10.049 1.295 6.415 659 H ASN 78 HN ASN 78 12.427 4.535 4.548 660 HA ASN 78 HA ASN 78 14.103 6.605 5.857 661 HB2 ASN 78 HB2 ASN 78 13.354 6.102 2.942 662 HB3 ASN 78 HB3 ASN 78 14.102 7.597 3.502 663 HD21 ASN 78 HD21 ASN 78 14.985 4.458 2.361 664 HD22 ASN 78 HD22 ASN 78 16.524 4.473 3.178 665 H LYS 79 HN LYS 79 10.971 6.361 3.995 666 HA LYS 79 HA LYS 79 9.728 8.288 5.810 667 HB2 LYS 79 HB2 LYS 79 10.587 9.005 3.017 668 HB3 LYS 79 HB3 LYS 79 8.950 9.433 3.464 669 HG2 LYS 79 HG2 LYS 79 9.866 10.600 5.522 670 HG3 LYS 79 HG3 LYS 79 11.487 10.372 4.822 671 HD2 LYS 79 HD2 LYS 79 10.772 11.595 2.793 672 HD3 LYS 79 HD3 LYS 79 9.165 11.779 3.423 673 HE2 LYS 79 HE2 LYS 79 11.670 13.061 4.561 674 HE3 LYS 79 HE3 LYS 79 10.419 13.837 3.585 675 HZ1 LYS 79 HZ1 LYS 79 10.195 12.858 6.340 676 HZ2 LYS 79 HZ2 LYS 79 8.850 13.158 5.437 677 HZ3 LYS 79 HZ3 LYS 79 9.939 14.360 5.766 678 H ILE 80 HN ILE 80 7.351 8.567 5.212 679 HA ILE 80 HA ILE 80 6.189 6.436 3.586 680 HB ILE 80 HB ILE 80 5.580 6.885 6.550 681 HG12 ILE 80 HG12 ILE 80 6.701 4.427 5.112 682 HG13 ILE 80 HG13 ILE 80 7.567 5.475 6.245 683 HG21 ILE 80 HG21 ILE 80 3.533 6.498 5.251 684 HG22 ILE 80 HG22 ILE 80 4.226 4.997 4.581 685 HG23 ILE 80 HG23 ILE 80 3.844 5.167 6.317 686 HD11 ILE 80 HD11 ILE 80 5.280 3.603 6.915 687 HD12 ILE 80 HD12 ILE 80 6.948 3.548 7.468 688 HD13 ILE 80 HD13 ILE 80 5.895 4.861 8.023 689 H ALA 81 HN ALA 81 4.197 7.173 2.698 690 HA ALA 81 HA ALA 81 2.833 9.517 3.716 691 HB1 ALA 81 HB1 ALA 81 4.316 10.773 2.345 692 HB2 ALA 81 HB2 ALA 81 4.252 9.586 1.015 693 HB3 ALA 81 HB3 ALA 81 2.856 10.608 1.380 694 H ILE 82 HN ILE 82 0.782 9.863 2.386 695 HA ILE 82 HA ILE 82 -0.258 7.352 1.145 696 HB ILE 82 HB ILE 82 -1.411 9.224 3.211 697 HG12 ILE 82 HG12 ILE 82 -0.258 7.262 4.064 698 HG13 ILE 82 HG13 ILE 82 -1.963 7.201 4.425 699 HG21 ILE 82 HG21 ILE 82 -3.622 8.177 2.975 700 HG22 ILE 82 HG22 ILE 82 -3.195 9.160 1.589 701 HG23 ILE 82 HG23 ILE 82 -3.081 7.395 1.465 702 HD11 ILE 82 HD11 ILE 82 -0.614 5.578 2.249 703 HD12 ILE 82 HD12 ILE 82 -1.142 4.969 3.798 704 HD13 ILE 82 HD13 ILE 82 -2.349 5.528 2.641 705 H LEU 83 HN LEU 83 -1.816 7.741 -0.589 706 HA LEU 83 HA LEU 83 -2.216 10.506 -1.492 707 HB2 LEU 83 HB2 LEU 83 -0.142 9.622 -2.646 708 HB3 LEU 83 HB3 LEU 83 -1.048 8.311 -3.241 709 HG LEU 83 HG LEU 83 -2.237 10.930 -3.905 710 HD11 LEU 83 HD11 LEU 83 -0.546 11.489 -5.650 711 HD12 LEU 83 HD12 LEU 83 0.513 10.226 -5.006 712 HD13 LEU 83 HD13 LEU 83 0.103 11.643 -4.016 713 HD21 LEU 83 HD21 LEU 83 -1.383 8.632 -5.683 714 HD22 LEU 83 HD22 LEU 83 -2.368 10.025 -6.165 715 HD23 LEU 83 HD23 LEU 83 -3.007 8.896 -4.992 716 H GLU 84 HN GLU 84 -4.012 10.378 -3.328 717 HA GLU 84 HA GLU 84 -5.894 8.144 -3.086 718 HB2 GLU 84 HB2 GLU 84 -6.248 10.080 -1.296 719 HB3 GLU 84 HB3 GLU 84 -6.531 11.081 -2.713 720 HG2 GLU 84 HG2 GLU 84 -8.409 9.273 -3.230 721 HG3 GLU 84 HG3 GLU 84 -8.187 8.840 -1.565 722 H GLU 85 HN GLU 85 -7.285 8.080 -4.865 723 HA GLU 85 HA GLU 85 -6.314 9.752 -7.110 724 HB2 GLU 85 HB2 GLU 85 -6.629 8.023 -8.485 725 HB3 GLU 85 HB3 GLU 85 -6.415 7.067 -7.063 726 HG2 GLU 85 HG2 GLU 85 -8.956 6.963 -6.802 727 HG3 GLU 85 HG3 GLU 85 -9.081 7.844 -8.292 728 H TYR 86 HN TYR 86 -8.134 10.444 -8.612 729 HA TYR 86 HA TYR 86 -10.828 10.481 -7.587 730 HB2 TYR 86 HB2 TYR 86 -10.947 12.997 -7.592 731 HB3 TYR 86 HB3 TYR 86 -10.136 12.269 -6.229 732 HD1 TYR 86 HD2 TYR 86 -9.591 14.102 -9.430 733 HD2 TYR 86 HD1 TYR 86 -7.884 12.853 -5.676 734 HE1 TYR 86 HE2 TYR 86 -7.836 15.845 -9.644 735 HE2 TYR 86 HE1 TYR 86 -6.132 14.606 -5.881 736 HH TYR 86 HH TYR 86 -6.580 17.207 -8.129 737 H GLN 87 HN GLN 87 -12.291 11.486 -9.216 738 HA GLN 87 HA GLN 87 -11.284 12.154 -11.843 739 HB2 GLN 87 HB2 GLN 87 -12.832 9.554 -11.378 740 HB3 GLN 87 HB3 GLN 87 -12.917 10.441 -12.884 741 HG2 GLN 87 HG2 GLN 87 -11.173 9.326 -13.636 742 HG3 GLN 87 HG3 GLN 87 -10.147 10.165 -12.491 743 HE21 GLN 87 HE21 GLN 87 -10.115 9.082 -10.176 744 HE22 GLN 87 HE22 GLN 87 -10.085 7.319 -10.174 Start of MODEL 26 1 H1 GLY 1 HN GLY 1 -12.759 -15.110 -8.373 2 HA2 GLY 1 HA1 GLY 1 -12.676 -12.695 -8.812 3 HA3 GLY 1 HA2 GLY 1 -14.215 -12.568 -7.938 4 H GLU 2 HN GLU 2 -10.832 -12.391 -7.616 5 HA GLU 2 HA GLU 2 -11.083 -12.216 -4.661 6 HB2 GLU 2 HB2 GLU 2 -9.373 -14.064 -6.234 7 HB3 GLU 2 HB3 GLU 2 -8.426 -12.979 -5.251 8 HG2 GLU 2 HG2 GLU 2 -8.812 -15.014 -4.040 9 HG3 GLU 2 HG3 GLU 2 -9.585 -13.680 -3.224 10 H GLU 3 HN GLU 3 -9.248 -10.720 -3.857 11 HA GLU 3 HA GLU 3 -8.865 -8.464 -5.767 12 HB2 GLU 3 HB2 GLU 3 -8.262 -8.724 -2.789 13 HB3 GLU 3 HB3 GLU 3 -7.918 -7.313 -3.773 14 HG2 GLU 3 HG2 GLU 3 -9.897 -6.740 -2.719 15 HG3 GLU 3 HG3 GLU 3 -10.384 -7.215 -4.349 16 H THR 4 HN THR 4 -7.080 -11.134 -4.273 17 HA THR 4 HA THR 4 -4.681 -10.401 -5.730 18 HB THR 4 HB THR 4 -3.753 -11.056 -3.113 19 HG1 THR 4 HG1 THR 4 -5.142 -8.678 -2.834 20 HG21 THR 4 HG21 THR 4 -3.776 -8.427 -4.617 21 HG22 THR 4 HG22 THR 4 -2.510 -9.653 -4.651 22 HG23 THR 4 HG23 THR 4 -2.809 -8.749 -3.167 23 HA PRO 5 HA PRO 5 -4.915 -14.710 -6.186 24 HB2 PRO 5 HB2 PRO 5 -2.488 -15.408 -7.181 25 HB3 PRO 5 HB3 PRO 5 -3.499 -14.175 -7.967 26 HG2 PRO 5 HG2 PRO 5 -1.282 -13.679 -5.935 27 HG3 PRO 5 HG3 PRO 5 -1.416 -13.009 -7.605 28 HD2 PRO 5 HD2 PRO 5 -2.302 -11.659 -5.431 29 HD3 PRO 5 HD3 PRO 5 -3.218 -11.619 -6.970 30 H LEU 6 HN LEU 6 -5.135 -14.655 -3.669 31 HA LEU 6 HA LEU 6 -3.332 -16.673 -2.427 32 HB2 LEU 6 HB2 LEU 6 -3.736 -15.269 -0.272 33 HB3 LEU 6 HB3 LEU 6 -2.401 -14.982 -1.360 34 HG LEU 6 HG LEU 6 -3.666 -13.077 -2.395 35 HD11 LEU 6 HD11 LEU 6 -5.549 -13.553 -0.060 36 HD12 LEU 6 HD12 LEU 6 -5.954 -13.425 -1.797 37 HD13 LEU 6 HD13 LEU 6 -5.421 -11.997 -0.925 38 HD21 LEU 6 HD21 LEU 6 -1.904 -12.816 -0.764 39 HD22 LEU 6 HD22 LEU 6 -3.083 -12.847 0.564 40 HD23 LEU 6 HD23 LEU 6 -3.108 -11.529 -0.649 41 H VAL 7 HN VAL 7 -4.682 -18.314 -2.633 42 HA VAL 7 HA VAL 7 -7.522 -18.004 -2.166 43 HB VAL 7 HB VAL 7 -6.158 -20.690 -2.410 44 HG11 VAL 7 HG11 VAL 7 -8.806 -19.574 -3.448 45 HG12 VAL 7 HG12 VAL 7 -8.221 -21.230 -3.695 46 HG13 VAL 7 HG13 VAL 7 -8.608 -20.677 -2.076 47 HG21 VAL 7 HG21 VAL 7 -6.665 -18.752 -4.706 48 HG22 VAL 7 HG22 VAL 7 -5.107 -19.480 -4.235 49 HG23 VAL 7 HG23 VAL 7 -6.374 -20.492 -4.905 50 H THR 8 HN THR 8 -5.041 -17.919 0.022 51 HA THR 8 HA THR 8 -7.071 -18.118 2.037 52 HB THR 8 HB THR 8 -4.521 -19.753 2.438 53 HG1 THR 8 HG1 THR 8 -6.896 -20.373 1.377 54 HG21 THR 8 HG21 THR 8 -5.427 -18.733 4.544 55 HG22 THR 8 HG22 THR 8 -5.589 -20.499 4.529 56 HG23 THR 8 HG23 THR 8 -7.004 -19.480 4.199 57 H ALA 9 HN ALA 9 -6.729 -16.350 3.392 58 HA ALA 9 HA ALA 9 -4.582 -14.526 2.785 59 HB1 ALA 9 HB1 ALA 9 -6.966 -13.907 3.244 60 HB2 ALA 9 HB2 ALA 9 -6.745 -14.436 4.922 61 HB3 ALA 9 HB3 ALA 9 -5.812 -13.055 4.295 62 H ARG 10 HN ARG 10 -3.136 -16.627 3.645 63 HA ARG 10 HA ARG 10 -2.626 -16.448 6.569 64 HB2 ARG 10 HB2 ARG 10 -1.123 -18.453 5.970 65 HB3 ARG 10 HB3 ARG 10 -2.868 -18.688 6.071 66 HG2 ARG 10 HG2 ARG 10 -3.090 -18.728 3.686 67 HG3 ARG 10 HG3 ARG 10 -1.426 -18.240 3.413 68 HD2 ARG 10 HD2 ARG 10 -2.124 -20.782 4.905 69 HD3 ARG 10 HD3 ARG 10 -2.062 -20.730 3.134 70 HE ARG 10 HE ARG 10 0.314 -19.599 3.813 71 HH11 ARG 10 HH11 ARG 10 -1.168 -22.647 4.942 72 HH12 ARG 10 HH12 ARG 10 0.301 -23.545 4.889 73 HH21 ARG 10 HH21 ARG 10 2.249 -20.690 4.071 74 HH22 ARG 10 HH22 ARG 10 2.325 -22.362 4.576 75 H HIS 11 HN HIS 11 -1.157 -14.975 7.109 76 HA HIS 11 HA HIS 11 0.681 -13.760 7.221 77 HB2 HIS 11 HB2 HIS 11 1.637 -16.289 6.460 78 HB3 HIS 11 HB3 HIS 11 2.446 -15.200 5.358 79 HD1 HIS 11 HD1 HIS 11 4.836 -14.899 6.384 80 HD2 HIS 11 HD2 HIS 11 1.705 -14.875 9.210 81 HE1 HIS 11 HE1 HIS 11 5.924 -14.758 8.692 82 H MET 12 HN MET 12 2.382 -12.483 5.893 83 HA MET 12 HA MET 12 1.274 -11.477 3.339 84 HB2 MET 12 HB2 MET 12 1.576 -10.062 6.002 85 HB3 MET 12 HB3 MET 12 1.602 -9.152 4.508 86 HG2 MET 12 HG2 MET 12 -0.667 -11.035 4.867 87 HG3 MET 12 HG3 MET 12 -0.630 -9.652 5.922 88 HE1 MET 12 HE1 MET 12 -3.018 -8.930 5.020 89 HE2 MET 12 HE2 MET 12 -1.854 -7.659 5.423 90 HE3 MET 12 HE3 MET 12 -2.871 -7.499 3.972 91 H SER 13 HN SER 13 2.652 -9.909 2.401 92 HA SER 13 HA SER 13 5.518 -10.597 2.511 93 HB2 SER 13 HB2 SER 13 3.894 -9.529 0.519 94 HB3 SER 13 HB3 SER 13 4.741 -8.106 1.085 95 HG SER 13 HG SER 13 5.779 -9.485 -0.633 96 H LYS 14 HN LYS 14 7.153 -8.936 2.878 97 HA LYS 14 HA LYS 14 7.228 -7.910 5.365 98 HB2 LYS 14 HB2 LYS 14 9.173 -8.083 3.824 99 HB3 LYS 14 HB3 LYS 14 8.555 -6.729 2.893 100 HG2 LYS 14 HG2 LYS 14 10.265 -5.804 4.173 101 HG3 LYS 14 HG3 LYS 14 8.836 -5.269 5.019 102 HD2 LYS 14 HD2 LYS 14 9.214 -7.446 6.480 103 HD3 LYS 14 HD3 LYS 14 10.834 -7.429 5.783 104 HE2 LYS 14 HE2 LYS 14 11.091 -5.052 6.645 105 HE3 LYS 14 HE3 LYS 14 9.506 -5.228 7.419 106 HZ1 LYS 14 HZ1 LYS 14 10.422 -7.129 8.632 107 HZ2 LYS 14 HZ2 LYS 14 11.178 -5.730 9.016 108 HZ3 LYS 14 HZ3 LYS 14 11.914 -6.827 8.045 109 H TRP 15 HN TRP 15 5.963 -6.048 2.601 110 HA TRP 15 HA TRP 15 5.502 -3.747 4.418 111 HB2 TRP 15 HB2 TRP 15 5.918 -3.790 1.427 112 HB3 TRP 15 HB3 TRP 15 5.653 -2.363 2.414 113 HD1 TRP 15 HD1 TRP 15 8.362 -4.775 1.382 114 HE1 TRP 15 HE1 TRP 15 10.641 -3.967 2.235 115 HE3 TRP 15 HE3 TRP 15 6.804 -1.044 4.612 116 HZ2 TRP 15 HZ2 TRP 15 11.624 -1.942 4.020 117 HZ3 TRP 15 HZ3 TRP 15 8.417 0.222 5.869 118 HH2 TRP 15 HH2 TRP 15 10.882 -0.210 5.588 119 H GLU 16 HN GLU 16 3.619 -6.202 3.195 120 HA GLU 16 HA GLU 16 1.548 -4.716 1.787 121 HB2 GLU 16 HB2 GLU 16 1.672 -7.453 3.128 122 HB3 GLU 16 HB3 GLU 16 0.179 -6.800 2.458 123 HG2 GLU 16 HG2 GLU 16 1.299 -6.517 0.286 124 HG3 GLU 16 HG3 GLU 16 2.684 -7.384 0.906 125 H GLU 17 HN GLU 17 2.018 -5.817 5.185 126 HA GLU 17 HA GLU 17 -0.699 -5.051 5.894 127 HB2 GLU 17 HB2 GLU 17 1.617 -5.565 7.782 128 HB3 GLU 17 HB3 GLU 17 -0.094 -5.637 8.143 129 HG2 GLU 17 HG2 GLU 17 -0.357 -7.733 7.405 130 HG3 GLU 17 HG3 GLU 17 0.669 -7.513 5.991 131 H ILE 18 HN ILE 18 2.559 -3.654 6.070 132 HA ILE 18 HA ILE 18 1.983 -1.335 7.626 133 HB ILE 18 HB ILE 18 4.001 -1.808 5.385 134 HG12 ILE 18 HG12 ILE 18 4.364 -1.782 8.413 135 HG13 ILE 18 HG13 ILE 18 4.174 -3.253 7.473 136 HG21 ILE 18 HG21 ILE 18 3.911 0.477 7.407 137 HG22 ILE 18 HG22 ILE 18 5.196 0.190 6.219 138 HG23 ILE 18 HG23 ILE 18 3.591 0.631 5.674 139 HD11 ILE 18 HD11 ILE 18 6.501 -2.944 7.958 140 HD12 ILE 18 HD12 ILE 18 6.252 -2.741 6.227 141 HD13 ILE 18 HD13 ILE 18 6.501 -1.316 7.271 142 H ALA 19 HN ALA 19 1.864 -1.878 4.048 143 HA ALA 19 HA ALA 19 0.874 0.675 3.414 144 HB1 ALA 19 HB1 ALA 19 1.844 -0.875 1.756 145 HB2 ALA 19 HB2 ALA 19 0.472 -1.982 1.948 146 HB3 ALA 19 HB3 ALA 19 0.216 -0.367 1.261 147 H VAL 20 HN VAL 20 -0.960 -2.388 3.906 148 HA VAL 20 HA VAL 20 -3.526 -1.239 3.465 149 HB VAL 20 HB VAL 20 -2.649 -3.662 5.088 150 HG11 VAL 20 HG11 VAL 20 -5.439 -2.920 4.110 151 HG12 VAL 20 HG12 VAL 20 -5.003 -4.466 4.829 152 HG13 VAL 20 HG13 VAL 20 -4.908 -2.985 5.803 153 HG21 VAL 20 HG21 VAL 20 -3.119 -5.022 3.213 154 HG22 VAL 20 HG22 VAL 20 -3.951 -3.714 2.339 155 HG23 VAL 20 HG23 VAL 20 -2.197 -3.684 2.536 156 H LYS 21 HN LYS 21 -1.528 -1.481 6.482 157 HA LYS 21 HA LYS 21 -3.611 -0.608 8.234 158 HB2 LYS 21 HB2 LYS 21 -0.598 -0.509 8.447 159 HB3 LYS 21 HB3 LYS 21 -1.653 0.124 9.705 160 HG2 LYS 21 HG2 LYS 21 -2.585 -2.023 10.223 161 HG3 LYS 21 HG3 LYS 21 -1.848 -2.769 8.810 162 HD2 LYS 21 HD2 LYS 21 0.374 -1.697 10.032 163 HD3 LYS 21 HD3 LYS 21 -0.612 -2.033 11.444 164 HE2 LYS 21 HE2 LYS 21 -0.274 -4.164 9.332 165 HE3 LYS 21 HE3 LYS 21 1.140 -3.745 10.286 166 HZ1 LYS 21 HZ1 LYS 21 -1.359 -4.913 11.351 167 HZ2 LYS 21 HZ2 LYS 21 -0.193 -4.272 12.300 168 HZ3 LYS 21 HZ3 LYS 21 0.133 -5.551 11.339 169 H GLU 22 HN GLU 22 -0.923 1.230 6.571 170 HA GLU 22 HA GLU 22 -1.729 3.758 7.488 171 HB2 GLU 22 HB2 GLU 22 -0.424 3.024 4.874 172 HB3 GLU 22 HB3 GLU 22 -0.759 4.679 5.459 173 HG2 GLU 22 HG2 GLU 22 0.716 3.039 7.338 174 HG3 GLU 22 HG3 GLU 22 1.601 3.404 5.879 175 H ALA 23 HN ALA 23 -2.790 1.967 4.556 176 HA ALA 23 HA ALA 23 -4.499 3.978 3.558 177 HB1 ALA 23 HB1 ALA 23 -4.739 0.960 3.210 178 HB2 ALA 23 HB2 ALA 23 -5.472 2.209 2.181 179 HB3 ALA 23 HB3 ALA 23 -3.708 2.046 2.241 180 H LYS 24 HN LYS 24 -5.116 1.816 6.290 181 HA LYS 24 HA LYS 24 -8.030 2.510 6.146 182 HB2 LYS 24 HB2 LYS 24 -8.575 0.807 7.453 183 HB3 LYS 24 HB3 LYS 24 -7.240 0.130 6.524 184 HG2 LYS 24 HG2 LYS 24 -5.754 0.669 8.547 185 HG3 LYS 24 HG3 LYS 24 -7.249 1.094 9.370 186 HD2 LYS 24 HD2 LYS 24 -6.714 -1.131 10.001 187 HD3 LYS 24 HD3 LYS 24 -8.059 -1.292 8.869 188 HE2 LYS 24 HE2 LYS 24 -6.668 -2.117 7.132 189 HE3 LYS 24 HE3 LYS 24 -5.231 -1.363 7.803 190 HZ1 LYS 24 HZ1 LYS 24 -4.980 -3.637 8.238 191 HZ2 LYS 24 HZ2 LYS 24 -6.531 -3.857 8.636 192 HZ3 LYS 24 HZ3 LYS 24 -5.522 -3.061 9.684 193 H LYS 25 HN LYS 25 -5.114 3.049 8.169 194 HA LYS 25 HA LYS 25 -6.658 4.422 10.218 195 HB2 LYS 25 HB2 LYS 25 -4.478 4.990 11.205 196 HB3 LYS 25 HB3 LYS 25 -4.648 3.279 10.819 197 HG2 LYS 25 HG2 LYS 25 -2.603 3.477 9.921 198 HG3 LYS 25 HG3 LYS 25 -3.456 4.169 8.567 199 HD2 LYS 25 HD2 LYS 25 -2.028 5.837 8.718 200 HD3 LYS 25 HD3 LYS 25 -3.078 6.438 10.011 201 HE2 LYS 25 HE2 LYS 25 -1.643 5.205 11.674 202 HE3 LYS 25 HE3 LYS 25 -0.623 4.641 10.333 203 HZ1 LYS 25 HZ1 LYS 25 -1.024 7.454 11.090 204 HZ2 LYS 25 HZ2 LYS 25 -0.098 6.930 9.846 205 HZ3 LYS 25 HZ3 LYS 25 0.324 6.549 11.404 206 H ARG 26 HN ARG 26 -4.658 5.564 7.449 207 HA ARG 26 HA ARG 26 -5.173 8.337 8.111 208 HB2 ARG 26 HB2 ARG 26 -3.171 7.446 6.779 209 HB3 ARG 26 HB3 ARG 26 -4.255 7.249 5.415 210 HG2 ARG 26 HG2 ARG 26 -4.357 9.486 4.987 211 HG3 ARG 26 HG3 ARG 26 -4.384 9.957 6.680 212 HD2 ARG 26 HD2 ARG 26 -2.045 9.874 6.906 213 HD3 ARG 26 HD3 ARG 26 -1.835 8.946 5.421 214 HE ARG 26 HE ARG 26 -3.051 11.403 4.706 215 HH11 ARG 26 HH11 ARG 26 0.145 10.135 5.741 216 HH12 ARG 26 HH12 ARG 26 0.918 11.667 5.474 217 HH21 ARG 26 HH21 ARG 26 -1.887 13.196 4.010 218 HH22 ARG 26 HH22 ARG 26 -0.147 13.292 4.190 219 H TYR 27 HN TYR 27 -7.524 6.197 7.331 220 HA TYR 27 HA TYR 27 -9.023 8.161 5.736 221 HB2 TYR 27 HB2 TYR 27 -8.655 5.249 4.991 222 HB3 TYR 27 HB3 TYR 27 -9.979 6.264 4.420 223 HD1 TYR 27 HD1 TYR 27 -6.301 5.789 4.272 224 HD2 TYR 27 HD2 TYR 27 -9.678 8.044 2.850 225 HE1 TYR 27 HE1 TYR 27 -4.862 6.793 2.597 226 HE2 TYR 27 HE2 TYR 27 -8.217 9.182 1.209 227 HH TYR 27 HH TYR 27 -5.194 8.245 0.215 228 HA PRO 28 HA PRO 28 -11.185 6.514 9.444 229 HB2 PRO 28 HB2 PRO 28 -12.254 8.972 10.227 230 HB3 PRO 28 HB3 PRO 28 -10.726 8.257 10.803 231 HG2 PRO 28 HG2 PRO 28 -11.125 10.432 8.776 232 HG3 PRO 28 HG3 PRO 28 -9.740 10.137 9.883 233 HD2 PRO 28 HD2 PRO 28 -9.708 9.558 7.220 234 HD3 PRO 28 HD3 PRO 28 -8.662 8.812 8.456 235 H LEU 29 HN LEU 29 -12.328 8.663 6.771 236 HA LEU 29 HA LEU 29 -15.090 8.321 7.523 237 HB2 LEU 29 HB2 LEU 29 -13.746 9.461 5.049 238 HB3 LEU 29 HB3 LEU 29 -15.469 9.282 5.159 239 HG LEU 29 HG LEU 29 -14.794 11.538 5.676 240 HD11 LEU 29 HD11 LEU 29 -16.853 10.569 6.690 241 HD12 LEU 29 HD12 LEU 29 -16.114 11.871 7.649 242 HD13 LEU 29 HD13 LEU 29 -15.933 10.188 8.153 243 HD21 LEU 29 HD21 LEU 29 -13.493 10.495 8.211 244 HD22 LEU 29 HD22 LEU 29 -13.638 12.183 7.693 245 HD23 LEU 29 HD23 LEU 29 -12.601 11.077 6.777 246 H ALA 30 HN ALA 30 -12.978 6.276 5.763 247 HA ALA 30 HA ALA 30 -15.181 4.989 4.195 248 HB1 ALA 30 HB1 ALA 30 -13.671 6.467 2.909 249 HB2 ALA 30 HB2 ALA 30 -12.294 5.502 3.423 250 HB3 ALA 30 HB3 ALA 30 -13.591 4.774 2.412 251 H GLN 31 HN GLN 31 -14.173 2.638 3.452 252 HA GLN 31 HA GLN 31 -12.796 1.299 5.767 253 HB2 GLN 31 HB2 GLN 31 -15.033 0.320 3.973 254 HB3 GLN 31 HB3 GLN 31 -14.199 -0.656 5.180 255 HG2 GLN 31 HG2 GLN 31 -15.853 1.832 5.813 256 HG3 GLN 31 HG3 GLN 31 -16.387 0.164 5.933 257 HE21 GLN 31 HE21 GLN 31 -14.173 2.536 7.284 258 HE22 GLN 31 HE22 GLN 31 -13.797 1.636 8.771 259 H VAL 32 HN VAL 32 -11.048 -0.053 5.192 260 HA VAL 32 HA VAL 32 -10.326 -0.267 2.345 261 HB VAL 32 HB VAL 32 -8.906 -1.108 4.881 262 HG11 VAL 32 HG11 VAL 32 -6.856 -1.343 3.590 263 HG12 VAL 32 HG12 VAL 32 -8.060 -2.459 2.939 264 HG13 VAL 32 HG13 VAL 32 -7.684 -0.946 2.093 265 HG21 VAL 32 HG21 VAL 32 -8.381 1.221 2.992 266 HG22 VAL 32 HG22 VAL 32 -9.036 1.332 4.646 267 HG23 VAL 32 HG23 VAL 32 -7.382 0.764 4.361 268 H LEU 33 HN LEU 33 -11.465 -1.872 1.291 269 HA LEU 33 HA LEU 33 -11.765 -4.506 2.565 270 HB2 LEU 33 HB2 LEU 33 -12.375 -3.804 -0.303 271 HB3 LEU 33 HB3 LEU 33 -13.135 -4.963 0.671 272 HG LEU 33 HG LEU 33 -14.777 -3.644 0.716 273 HD11 LEU 33 HD11 LEU 33 -14.168 -3.379 3.111 274 HD12 LEU 33 HD12 LEU 33 -15.250 -2.152 2.446 275 HD13 LEU 33 HD13 LEU 33 -13.562 -1.759 2.716 276 HD21 LEU 33 HD21 LEU 33 -13.107 -1.229 0.196 277 HD22 LEU 33 HD22 LEU 33 -14.868 -1.438 -0.012 278 HD23 LEU 33 HD23 LEU 33 -13.766 -2.379 -1.004 279 H PHE 34 HN PHE 34 -10.131 -2.838 -0.111 280 HA PHE 34 HA PHE 34 -9.266 -5.221 -1.372 281 HB2 PHE 34 HB2 PHE 34 -9.333 -2.345 -1.895 282 HB3 PHE 34 HB3 PHE 34 -7.833 -3.047 -2.478 283 HD1 PHE 34 HD2 PHE 34 -11.572 -3.380 -2.647 284 HD2 PHE 34 HD1 PHE 34 -7.769 -4.318 -4.485 285 HE1 PHE 34 HE2 PHE 34 -12.745 -4.481 -4.537 286 HE2 PHE 34 HE1 PHE 34 -8.950 -5.359 -6.383 287 HZ PHE 34 HZ PHE 34 -11.431 -5.476 -6.400 288 H LYS 35 HN LYS 35 -7.026 -5.536 -2.172 289 HA LYS 35 HA LYS 35 -4.753 -4.615 -0.660 290 HB2 LYS 35 HB2 LYS 35 -5.396 -6.271 0.957 291 HB3 LYS 35 HB3 LYS 35 -5.850 -7.425 -0.317 292 HG2 LYS 35 HG2 LYS 35 -3.515 -7.823 -0.877 293 HG3 LYS 35 HG3 LYS 35 -3.016 -6.453 0.129 294 HD2 LYS 35 HD2 LYS 35 -2.532 -8.392 1.333 295 HD3 LYS 35 HD3 LYS 35 -3.913 -7.635 2.134 296 HE2 LYS 35 HE2 LYS 35 -4.201 -9.955 0.158 297 HE3 LYS 35 HE3 LYS 35 -3.846 -10.216 1.866 298 HZ1 LYS 35 HZ1 LYS 35 -6.145 -10.429 1.600 299 HZ2 LYS 35 HZ2 LYS 35 -6.302 -9.135 0.699 300 HZ3 LYS 35 HZ3 LYS 35 -5.966 -8.945 2.331 301 H GLN 36 HN GLN 36 -3.715 -4.051 -2.674 302 HA GLN 36 HA GLN 36 -2.912 -6.317 -4.292 303 HB2 GLN 36 HB2 GLN 36 -5.139 -5.357 -5.227 304 HB3 GLN 36 HB3 GLN 36 -4.219 -3.913 -5.650 305 HG2 GLN 36 HG2 GLN 36 -2.797 -5.215 -7.153 306 HG3 GLN 36 HG3 GLN 36 -3.469 -6.734 -6.537 307 HE21 GLN 36 HE21 GLN 36 -5.667 -7.356 -7.131 308 HE22 GLN 36 HE22 GLN 36 -6.383 -6.704 -8.584 309 H LYS 37 HN LYS 37 -1.033 -5.703 -5.669 310 HA LYS 37 HA LYS 37 0.197 -3.098 -4.917 311 HB2 LYS 37 HB2 LYS 37 2.344 -3.997 -4.883 312 HB3 LYS 37 HB3 LYS 37 1.362 -5.162 -4.008 313 HG2 LYS 37 HG2 LYS 37 1.210 -6.441 -6.272 314 HG3 LYS 37 HG3 LYS 37 2.542 -5.416 -6.803 315 HD2 LYS 37 HD2 LYS 37 2.582 -7.122 -4.270 316 HD3 LYS 37 HD3 LYS 37 3.166 -7.697 -5.817 317 HE2 LYS 37 HE2 LYS 37 4.274 -5.171 -4.542 318 HE3 LYS 37 HE3 LYS 37 4.891 -6.781 -4.156 319 HZ1 LYS 37 HZ1 LYS 37 6.219 -5.913 -5.838 320 HZ2 LYS 37 HZ2 LYS 37 4.952 -5.537 -6.838 321 HZ3 LYS 37 HZ3 LYS 37 5.347 -7.109 -6.490 322 H VAL 38 HN VAL 38 1.561 -2.155 -6.642 323 HA VAL 38 HA VAL 38 0.821 -3.101 -9.363 324 HB VAL 38 HB VAL 38 -0.858 -1.484 -8.317 325 HG11 VAL 38 HG11 VAL 38 -0.417 0.892 -8.403 326 HG12 VAL 38 HG12 VAL 38 0.723 0.118 -7.295 327 HG13 VAL 38 HG13 VAL 38 1.250 0.620 -8.919 328 HG21 VAL 38 HG21 VAL 38 0.306 -0.734 -11.009 329 HG22 VAL 38 HG22 VAL 38 -0.862 -2.020 -10.675 330 HG23 VAL 38 HG23 VAL 38 -1.304 -0.333 -10.396 331 H TRP 39 HN TRP 39 3.368 -2.336 -7.355 332 HA TRP 39 HA TRP 39 5.182 -1.685 -9.508 333 HB2 TRP 39 HB2 TRP 39 3.857 0.462 -8.383 334 HB3 TRP 39 HB3 TRP 39 5.167 0.288 -7.238 335 HD1 TRP 39 HD1 TRP 39 4.966 0.214 -11.114 336 HE1 TRP 39 HE1 TRP 39 6.672 1.834 -12.084 337 HE3 TRP 39 HE3 TRP 39 6.859 1.994 -6.750 338 HZ2 TRP 39 HZ2 TRP 39 8.461 3.980 -11.018 339 HZ3 TRP 39 HZ3 TRP 39 8.338 3.974 -6.732 340 HH2 TRP 39 HH2 TRP 39 9.097 4.994 -8.861 341 H ASP 40 HN ASP 40 7.489 -1.656 -8.609 342 HA ASP 40 HA ASP 40 7.990 -2.357 -5.830 343 HB2 ASP 40 HB2 ASP 40 7.186 -4.493 -7.182 344 HB3 ASP 40 HB3 ASP 40 8.822 -4.514 -7.799 345 H ARG 41 HN ARG 41 8.823 -0.241 -7.571 346 HA ARG 41 HA ARG 41 11.229 -0.846 -8.984 347 HB2 ARG 41 HB2 ARG 41 9.516 1.099 -9.249 348 HB3 ARG 41 HB3 ARG 41 10.411 1.906 -7.981 349 HG2 ARG 41 HG2 ARG 41 12.393 1.125 -9.855 350 HG3 ARG 41 HG3 ARG 41 11.013 1.576 -10.816 351 HD2 ARG 41 HD2 ARG 41 10.895 3.722 -9.430 352 HD3 ARG 41 HD3 ARG 41 12.505 3.261 -8.837 353 HE ARG 41 HE ARG 41 12.100 3.255 -11.753 354 HH11 ARG 41 HH11 ARG 41 12.960 5.362 -9.034 355 HH12 ARG 41 HH12 ARG 41 14.185 6.226 -9.908 356 HH21 ARG 41 HH21 ARG 41 13.587 4.555 -12.965 357 HH22 ARG 41 HH22 ARG 41 14.670 5.618 -12.132 358 H LYS 42 HN LYS 42 13.423 0.147 -8.527 359 HA LYS 42 HA LYS 42 13.800 1.193 -5.843 360 HB2 LYS 42 HB2 LYS 42 15.929 -0.313 -5.587 361 HB3 LYS 42 HB3 LYS 42 14.396 -0.874 -5.066 362 HG2 LYS 42 HG2 LYS 42 15.472 -1.607 -7.802 363 HG3 LYS 42 HG3 LYS 42 16.046 -2.420 -6.343 364 HD2 LYS 42 HD2 LYS 42 13.190 -2.454 -7.376 365 HD3 LYS 42 HD3 LYS 42 14.338 -3.772 -7.381 366 HE2 LYS 42 HE2 LYS 42 14.338 -3.905 -4.957 367 HE3 LYS 42 HE3 LYS 42 13.356 -2.439 -4.814 368 HZ1 LYS 42 HZ1 LYS 42 11.524 -3.582 -5.813 369 HZ2 LYS 42 HZ2 LYS 42 12.044 -4.439 -4.528 370 HZ3 LYS 42 HZ3 LYS 42 12.392 -4.926 -6.053 371 H ARG 43 HN ARG 43 15.957 1.929 -5.482 372 HA ARG 43 HA ARG 43 17.363 3.228 -7.785 373 HB2 ARG 43 HB2 ARG 43 17.480 3.603 -4.757 374 HB3 ARG 43 HB3 ARG 43 18.528 4.429 -5.878 375 HG2 ARG 43 HG2 ARG 43 15.494 4.695 -6.051 376 HG3 ARG 43 HG3 ARG 43 16.445 5.698 -4.967 377 HD2 ARG 43 HD2 ARG 43 16.876 5.483 -7.970 378 HD3 ARG 43 HD3 ARG 43 15.917 6.750 -7.173 379 HE ARG 43 HE ARG 43 18.271 6.930 -5.848 380 HH11 ARG 43 HH11 ARG 43 17.464 6.949 -9.304 381 HH12 ARG 43 HH12 ARG 43 18.825 7.895 -9.792 382 HH21 ARG 43 HH21 ARG 43 20.138 8.153 -6.497 383 HH22 ARG 43 HH22 ARG 43 20.311 8.701 -8.118 384 H LYS 44 HN LYS 44 19.919 3.086 -6.933 385 HA LYS 44 HA LYS 44 20.674 0.278 -6.570 386 HB2 LYS 44 HB2 LYS 44 22.121 2.946 -6.223 387 HB3 LYS 44 HB3 LYS 44 22.836 1.423 -5.673 388 HG2 LYS 44 HG2 LYS 44 22.714 0.450 -7.869 389 HG3 LYS 44 HG3 LYS 44 21.910 1.898 -8.514 390 HD2 LYS 44 HD2 LYS 44 23.830 3.216 -8.377 391 HD3 LYS 44 HD3 LYS 44 24.621 2.160 -7.179 392 HE2 LYS 44 HE2 LYS 44 25.062 0.456 -8.778 393 HE3 LYS 44 HE3 LYS 44 23.964 1.170 -9.975 394 HZ1 LYS 44 HZ1 LYS 44 25.465 2.979 -10.257 395 HZ2 LYS 44 HZ2 LYS 44 26.291 1.568 -10.456 396 HZ3 LYS 44 HZ3 LYS 44 26.489 2.415 -9.076 397 H ASP 45 HN ASP 45 20.864 3.052 -4.405 398 HA ASP 45 HA ASP 45 21.470 1.438 -2.186 399 HB2 ASP 45 HB2 ASP 45 20.851 4.411 -2.384 400 HB3 ASP 45 HB3 ASP 45 21.694 3.614 -1.052 401 H GLU 46 HN GLU 46 18.387 1.680 -3.269 402 HA GLU 46 HA GLU 46 17.007 2.170 -0.743 403 HB2 GLU 46 HB2 GLU 46 17.845 4.406 -2.259 404 HB3 GLU 46 HB3 GLU 46 16.204 4.113 -2.827 405 HG2 GLU 46 HG2 GLU 46 15.338 4.258 -0.569 406 HG3 GLU 46 HG3 GLU 46 16.983 4.435 0.077 407 H ALA 47 HN ALA 47 14.657 1.841 -1.143 408 HA ALA 47 HA ALA 47 13.853 0.702 -3.747 409 HB1 ALA 47 HB1 ALA 47 13.880 -0.723 -1.060 410 HB2 ALA 47 HB2 ALA 47 13.088 -1.339 -2.546 411 HB3 ALA 47 HB3 ALA 47 14.847 -1.153 -2.472 412 H VAL 48 HN VAL 48 11.509 0.470 -3.966 413 HA VAL 48 HA VAL 48 9.927 1.969 -1.987 414 HB VAL 48 HB VAL 48 8.937 3.212 -3.993 415 HG11 VAL 48 HG11 VAL 48 10.588 5.044 -3.889 416 HG12 VAL 48 HG12 VAL 48 10.099 4.409 -2.325 417 HG13 VAL 48 HG13 VAL 48 11.691 3.985 -2.990 418 HG21 VAL 48 HG21 VAL 48 10.395 3.713 -5.878 419 HG22 VAL 48 HG22 VAL 48 11.629 2.593 -5.279 420 HG23 VAL 48 HG23 VAL 48 10.043 1.975 -5.801 421 H LYS 49 HN LYS 49 7.865 1.209 -1.821 422 HA LYS 49 HA LYS 49 6.988 -0.939 -3.710 423 HB2 LYS 49 HB2 LYS 49 7.628 -1.284 -0.773 424 HB3 LYS 49 HB3 LYS 49 6.304 -2.205 -1.515 425 HG2 LYS 49 HG2 LYS 49 7.759 -3.178 -3.177 426 HG3 LYS 49 HG3 LYS 49 9.141 -2.236 -2.630 427 HD2 LYS 49 HD2 LYS 49 9.150 -3.301 -0.474 428 HD3 LYS 49 HD3 LYS 49 7.620 -4.113 -0.780 429 HE2 LYS 49 HE2 LYS 49 10.164 -4.646 -2.381 430 HE3 LYS 49 HE3 LYS 49 9.650 -5.587 -0.969 431 HZ1 LYS 49 HZ1 LYS 49 8.589 -5.585 -3.644 432 HZ2 LYS 49 HZ2 LYS 49 7.463 -5.677 -2.481 433 HZ3 LYS 49 HZ3 LYS 49 8.682 -6.800 -2.548 434 H GLN 50 HN GLN 50 5.598 0.736 -4.408 435 HA GLN 50 HA GLN 50 3.538 1.672 -2.541 436 HB2 GLN 50 HB2 GLN 50 4.025 2.022 -5.536 437 HB3 GLN 50 HB3 GLN 50 2.590 2.640 -4.700 438 HG2 GLN 50 HG2 GLN 50 3.760 4.441 -4.000 439 HG3 GLN 50 HG3 GLN 50 4.807 3.378 -3.059 440 HE21 GLN 50 HE21 GLN 50 4.626 5.492 -5.809 441 HE22 GLN 50 HE22 GLN 50 6.309 5.335 -6.231 442 H TYR 51 HN TYR 51 1.403 1.172 -2.607 443 HA TYR 51 HA TYR 51 0.542 -1.327 -3.939 444 HB2 TYR 51 HB2 TYR 51 0.069 -0.396 -1.082 445 HB3 TYR 51 HB3 TYR 51 -0.865 -1.659 -1.844 446 HD1 TYR 51 HD2 TYR 51 2.554 -0.756 -0.654 447 HD2 TYR 51 HD1 TYR 51 -0.003 -3.883 -2.171 448 HE1 TYR 51 HE2 TYR 51 4.230 -2.392 -0.044 449 HE2 TYR 51 HE1 TYR 51 1.679 -5.554 -1.612 450 HH TYR 51 HH TYR 51 3.552 -5.943 -0.382 451 H HIS 52 HN HIS 52 -1.897 -1.424 -4.028 452 HA HIS 52 HA HIS 52 -3.165 1.219 -4.252 453 HB2 HIS 52 HB2 HIS 52 -2.538 0.546 -6.527 454 HB3 HIS 52 HB3 HIS 52 -3.253 -1.059 -6.267 455 HD1 HIS 52 HD1 HIS 52 -5.312 2.022 -5.145 456 HD2 HIS 52 HD2 HIS 52 -4.888 -0.695 -8.361 457 HE1 HIS 52 HE1 HIS 52 -7.403 2.244 -6.566 458 H LEU 53 HN LEU 53 -4.985 1.183 -2.959 459 HA LEU 53 HA LEU 53 -6.416 -1.367 -2.654 460 HB2 LEU 53 HB2 LEU 53 -6.393 0.844 -0.591 461 HB3 LEU 53 HB3 LEU 53 -6.925 -0.821 -0.430 462 HG LEU 53 HG LEU 53 -5.060 -0.277 0.895 463 HD11 LEU 53 HD11 LEU 53 -3.564 -2.234 0.378 464 HD12 LEU 53 HD12 LEU 53 -4.427 -2.395 -1.172 465 HD13 LEU 53 HD13 LEU 53 -5.288 -2.594 0.370 466 HD21 LEU 53 HD21 LEU 53 -3.081 -0.151 -1.329 467 HD22 LEU 53 HD22 LEU 53 -2.896 0.156 0.398 468 HD23 LEU 53 HD23 LEU 53 -3.847 1.290 -0.596 469 H THR 54 HN THR 54 -8.864 -0.684 -2.012 470 HA THR 54 HA THR 54 -9.716 1.744 -3.438 471 HB THR 54 HB THR 54 -10.639 -1.074 -3.919 472 HG1 THR 54 HG1 THR 54 -9.986 0.775 -5.945 473 HG21 THR 54 HG21 THR 54 -12.000 1.470 -4.830 474 HG22 THR 54 HG22 THR 54 -12.662 0.181 -3.801 475 HG23 THR 54 HG23 THR 54 -12.326 -0.131 -5.505 476 H LEU 55 HN LEU 55 -10.565 2.696 -1.818 477 HA LEU 55 HA LEU 55 -11.743 1.265 0.517 478 HB2 LEU 55 HB2 LEU 55 -11.160 4.194 0.098 479 HB3 LEU 55 HB3 LEU 55 -12.196 3.574 1.365 480 HG LEU 55 HG LEU 55 -10.126 1.894 1.752 481 HD11 LEU 55 HD11 LEU 55 -8.005 3.151 1.689 482 HD12 LEU 55 HD12 LEU 55 -8.831 4.481 0.856 483 HD13 LEU 55 HD13 LEU 55 -8.688 2.903 0.065 484 HD21 LEU 55 HD21 LEU 55 -10.362 4.643 2.900 485 HD22 LEU 55 HD22 LEU 55 -9.471 3.286 3.610 486 HD23 LEU 55 HD23 LEU 55 -11.232 3.156 3.415 487 H ARG 56 HN ARG 56 -13.825 1.675 1.268 488 HA ARG 56 HA ARG 56 -15.823 2.697 -0.694 489 HB2 ARG 56 HB2 ARG 56 -15.939 0.298 -0.625 490 HB3 ARG 56 HB3 ARG 56 -15.956 0.292 1.146 491 HG2 ARG 56 HG2 ARG 56 -18.214 1.336 1.126 492 HG3 ARG 56 HG3 ARG 56 -18.182 1.350 -0.650 493 HD2 ARG 56 HD2 ARG 56 -17.930 -1.094 -0.700 494 HD3 ARG 56 HD3 ARG 56 -17.798 -1.160 1.052 495 HE ARG 56 HE ARG 56 -20.049 -1.135 1.234 496 HH11 ARG 56 HH11 ARG 56 -19.234 -0.202 -2.114 497 HH12 ARG 56 HH12 ARG 56 -20.832 0.195 -2.550 498 HH21 ARG 56 HH21 ARG 56 -22.294 -1.019 0.478 499 HH22 ARG 56 HH22 ARG 56 -22.559 -0.496 -1.144 500 H GLU 57 HN GLU 57 -16.932 4.372 0.144 501 HA GLU 57 HA GLU 57 -17.188 4.658 3.099 502 HB2 GLU 57 HB2 GLU 57 -15.879 6.460 2.464 503 HB3 GLU 57 HB3 GLU 57 -16.755 6.783 1.014 504 HG2 GLU 57 HG2 GLU 57 -18.105 6.946 3.727 505 HG3 GLU 57 HG3 GLU 57 -17.030 8.229 3.225 506 H GLY 58 HN GLY 58 -19.104 3.456 3.141 507 HA2 GLY 58 HA1 GLY 58 -21.206 2.661 2.595 508 HA3 GLY 58 HA2 GLY 58 -21.565 4.390 2.665 509 H SER 59 HN SER 59 -22.049 5.484 0.776 510 HA SER 59 HA SER 59 -22.961 3.917 -1.463 511 HB2 SER 59 HB2 SER 59 -23.572 6.508 -2.077 512 HB3 SER 59 HB3 SER 59 -24.564 5.414 -1.128 513 HG SER 59 HG SER 59 -22.688 7.307 -0.120 514 H LYS 60 HN LYS 60 -19.886 4.920 -0.918 515 HA LYS 60 HA LYS 60 -19.353 5.532 -3.780 516 HB2 LYS 60 HB2 LYS 60 -19.136 7.617 -2.711 517 HB3 LYS 60 HB3 LYS 60 -18.585 6.910 -1.206 518 HG2 LYS 60 HG2 LYS 60 -16.512 6.685 -1.881 519 HG3 LYS 60 HG3 LYS 60 -16.827 6.813 -3.611 520 HD2 LYS 60 HD2 LYS 60 -17.522 9.260 -2.068 521 HD3 LYS 60 HD3 LYS 60 -15.799 8.827 -2.012 522 HE2 LYS 60 HE2 LYS 60 -15.712 8.604 -4.446 523 HE3 LYS 60 HE3 LYS 60 -17.437 8.967 -4.563 524 HZ1 LYS 60 HZ1 LYS 60 -16.128 10.856 -5.086 525 HZ2 LYS 60 HZ2 LYS 60 -15.312 10.836 -3.729 526 HZ3 LYS 60 HZ3 LYS 60 -16.923 11.204 -3.662 527 H GLU 61 HN GLU 61 -17.378 4.830 -4.520 528 HA GLU 61 HA GLU 61 -15.508 3.533 -2.745 529 HB2 GLU 61 HB2 GLU 61 -16.343 2.333 -5.421 530 HB3 GLU 61 HB3 GLU 61 -14.724 2.163 -4.785 531 HG2 GLU 61 HG2 GLU 61 -15.455 0.273 -3.889 532 HG3 GLU 61 HG3 GLU 61 -15.949 1.326 -2.590 533 H PHE 62 HN PHE 62 -13.330 3.904 -3.509 534 HA PHE 62 HA PHE 62 -12.813 5.561 -5.798 535 HB2 PHE 62 HB2 PHE 62 -11.694 7.380 -4.547 536 HB3 PHE 62 HB3 PHE 62 -13.424 7.366 -4.306 537 HD1 PHE 62 HD1 PHE 62 -14.379 6.393 -2.143 538 HD2 PHE 62 HD2 PHE 62 -10.203 7.305 -2.659 539 HE1 PHE 62 HE1 PHE 62 -14.114 6.449 0.300 540 HE2 PHE 62 HE2 PHE 62 -9.906 7.296 -0.194 541 HZ PHE 62 HZ PHE 62 -11.843 6.857 1.300 542 H GLY 63 HN GLY 63 -10.245 5.864 -5.838 543 HA2 GLY 63 HA1 GLY 63 -9.026 3.358 -4.758 544 HA3 GLY 63 HA2 GLY 63 -8.490 4.279 -6.154 545 H VAL 64 HN VAL 64 -7.074 3.460 -3.592 546 HA VAL 64 HA VAL 64 -5.707 6.104 -3.442 547 HB VAL 64 HB VAL 64 -4.927 5.465 -1.159 548 HG11 VAL 64 HG11 VAL 64 -6.477 7.152 -1.187 549 HG12 VAL 64 HG12 VAL 64 -7.828 6.098 -1.586 550 HG13 VAL 64 HG13 VAL 64 -7.099 6.027 0.024 551 HG21 VAL 64 HG21 VAL 64 -6.170 3.886 0.190 552 HG22 VAL 64 HG22 VAL 64 -7.089 3.395 -1.260 553 HG23 VAL 64 HG23 VAL 64 -5.343 3.080 -1.164 554 H PHE 65 HN PHE 65 -3.468 6.067 -3.149 555 HA PHE 65 HA PHE 65 -2.096 3.619 -4.129 556 HB2 PHE 65 HB2 PHE 65 -1.732 6.469 -5.088 557 HB3 PHE 65 HB3 PHE 65 -0.863 5.076 -5.664 558 HD1 PHE 65 HD1 PHE 65 -2.155 3.205 -6.873 559 HD2 PHE 65 HD2 PHE 65 -3.930 7.031 -5.898 560 HE1 PHE 65 HE1 PHE 65 -4.051 2.737 -8.400 561 HE2 PHE 65 HE2 PHE 65 -5.798 6.540 -7.411 562 HZ PHE 65 HZ PHE 65 -5.899 4.404 -8.624 563 H VAL 66 HN VAL 66 -1.191 3.087 -2.197 564 HA VAL 66 HA VAL 66 -0.205 4.971 -0.241 565 HB VAL 66 HB VAL 66 0.112 1.954 -0.624 566 HG11 VAL 66 HG11 VAL 66 1.938 2.619 0.796 567 HG12 VAL 66 HG12 VAL 66 0.866 3.708 1.705 568 HG13 VAL 66 HG13 VAL 66 0.663 1.966 1.829 569 HG21 VAL 66 HG21 VAL 66 -1.675 3.578 1.238 570 HG22 VAL 66 HG22 VAL 66 -2.220 2.743 -0.218 571 HG23 VAL 66 HG23 VAL 66 -1.581 1.820 1.156 572 H THR 67 HN THR 67 2.085 5.405 0.350 573 HA THR 67 HA THR 67 4.030 4.698 -1.741 574 HB THR 67 HB THR 67 4.030 7.350 -0.344 575 HG1 THR 67 HG1 THR 67 2.091 7.092 -1.585 576 HG21 THR 67 HG21 THR 67 5.185 6.485 -3.036 577 HG22 THR 67 HG22 THR 67 6.117 6.566 -1.531 578 HG23 THR 67 HG23 THR 67 5.432 8.042 -2.218 579 H ILE 68 HN ILE 68 5.928 3.801 -0.931 580 HA ILE 68 HA ILE 68 6.629 4.156 1.900 581 HB ILE 68 HB ILE 68 6.220 1.472 0.490 582 HG12 ILE 68 HG12 ILE 68 4.883 2.601 3.001 583 HG13 ILE 68 HG13 ILE 68 4.129 2.387 1.425 584 HG21 ILE 68 HG21 ILE 68 7.322 1.934 3.312 585 HG22 ILE 68 HG22 ILE 68 7.124 0.378 2.468 586 HG23 ILE 68 HG23 ILE 68 8.321 1.511 1.900 587 HD11 ILE 68 HD11 ILE 68 3.385 0.616 2.843 588 HD12 ILE 68 HD12 ILE 68 4.451 -0.087 1.606 589 HD13 ILE 68 HD13 ILE 68 5.028 0.153 3.270 590 H SER 69 HN SER 69 8.816 4.575 1.930 591 HA SER 69 HA SER 69 10.524 3.674 -0.326 592 HB2 SER 69 HB2 SER 69 10.815 6.310 1.150 593 HB3 SER 69 HB3 SER 69 11.625 5.797 -0.340 594 HG SER 69 HG SER 69 9.640 6.011 -1.433 595 H PHE 70 HN PHE 70 12.319 2.507 0.416 596 HA PHE 70 HA PHE 70 13.074 2.666 3.245 597 HB2 PHE 70 HB2 PHE 70 12.521 0.374 3.678 598 HB3 PHE 70 HB3 PHE 70 11.067 1.210 3.190 599 HD1 PHE 70 HD2 PHE 70 10.277 0.854 0.684 600 HD2 PHE 70 HD1 PHE 70 13.436 -1.455 2.463 601 HE1 PHE 70 HE2 PHE 70 10.128 -0.803 -1.150 602 HE2 PHE 70 HE1 PHE 70 13.197 -3.179 0.693 603 HZ PHE 70 HZ PHE 70 11.531 -2.851 -1.124 604 H ASP 71 HN ASP 71 14.816 1.022 3.699 605 HA ASP 71 HA ASP 71 16.734 1.143 1.493 606 HB2 ASP 71 HB2 ASP 71 16.887 0.645 4.468 607 HB3 ASP 71 HB3 ASP 71 18.202 0.083 3.442 608 HA PRO 72 HA PRO 72 16.705 -3.301 0.713 609 HB2 PRO 72 HB2 PRO 72 19.105 -3.545 -0.527 610 HB3 PRO 72 HB3 PRO 72 17.678 -2.796 -1.331 611 HG2 PRO 72 HG2 PRO 72 20.003 -1.397 0.022 612 HG3 PRO 72 HG3 PRO 72 19.273 -1.056 -1.577 613 HD2 PRO 72 HD2 PRO 72 18.568 0.329 0.665 614 HD3 PRO 72 HD3 PRO 72 17.376 -0.060 -0.612 615 H TYR 73 HN TYR 73 19.203 -1.475 2.336 616 HA TYR 73 HA TYR 73 21.015 -3.231 3.327 617 HB2 TYR 73 HB2 TYR 73 19.769 -0.863 4.758 618 HB3 TYR 73 HB3 TYR 73 21.074 -1.804 5.417 619 HD1 TYR 73 HD2 TYR 73 20.422 -0.140 2.037 620 HD2 TYR 73 HD1 TYR 73 23.064 -0.710 5.425 621 HE1 TYR 73 HE2 TYR 73 22.018 1.429 1.043 622 HE2 TYR 73 HE1 TYR 73 24.675 0.870 4.437 623 HH TYR 73 HH TYR 73 24.926 2.556 2.770 624 H SER 74 HN SER 74 18.221 -2.208 5.254 625 HA SER 74 HA SER 74 17.687 -4.901 6.307 626 HB2 SER 74 HB2 SER 74 19.594 -3.644 7.644 627 HB3 SER 74 HB3 SER 74 18.248 -2.697 8.301 628 HG SER 74 HG SER 74 18.793 -5.478 8.472 629 H GLN 75 HN GLN 75 16.235 -2.770 4.659 630 HA GLN 75 HA GLN 75 14.240 -1.661 4.589 631 HB2 GLN 75 HB2 GLN 75 13.534 -3.954 6.484 632 HB3 GLN 75 HB3 GLN 75 12.360 -2.808 5.903 633 HG2 GLN 75 HG2 GLN 75 12.050 -4.382 4.329 634 HG3 GLN 75 HG3 GLN 75 13.331 -3.503 3.497 635 HE21 GLN 75 HE21 GLN 75 15.360 -4.594 3.146 636 HE22 GLN 75 HE22 GLN 75 15.524 -6.290 3.605 637 H LYS 76 HN LYS 76 16.016 -0.160 5.911 638 HA LYS 76 HA LYS 76 14.620 0.877 8.285 639 HB2 LYS 76 HB2 LYS 76 16.958 1.907 6.615 640 HB3 LYS 76 HB3 LYS 76 16.037 2.945 7.689 641 HG2 LYS 76 HG2 LYS 76 16.525 0.958 9.462 642 HG3 LYS 76 HG3 LYS 76 17.903 0.706 8.390 643 HD2 LYS 76 HD2 LYS 76 18.377 3.216 8.634 644 HD3 LYS 76 HD3 LYS 76 17.091 3.248 9.850 645 HE2 LYS 76 HE2 LYS 76 18.307 1.705 11.283 646 HE3 LYS 76 HE3 LYS 76 19.542 1.440 10.039 647 HZ1 LYS 76 HZ1 LYS 76 20.382 3.578 10.353 648 HZ2 LYS 76 HZ2 LYS 76 20.086 3.082 11.887 649 HZ3 LYS 76 HZ3 LYS 76 19.053 4.117 11.179 650 H VAL 77 HN VAL 77 12.869 2.037 8.055 651 HA VAL 77 HA VAL 77 11.726 2.648 5.461 652 HB VAL 77 HB VAL 77 10.895 3.837 8.108 653 HG11 VAL 77 HG11 VAL 77 8.741 3.971 7.140 654 HG12 VAL 77 HG12 VAL 77 9.871 4.709 6.017 655 HG13 VAL 77 HG13 VAL 77 9.252 3.080 5.679 656 HG21 VAL 77 HG21 VAL 77 11.024 1.488 8.591 657 HG22 VAL 77 HG22 VAL 77 9.334 1.977 8.457 658 HG23 VAL 77 HG23 VAL 77 10.078 1.097 7.119 659 H ASN 78 HN ASN 78 12.547 4.241 4.212 660 HA ASN 78 HA ASN 78 14.188 6.406 5.342 661 HB2 ASN 78 HB2 ASN 78 13.257 5.816 2.492 662 HB3 ASN 78 HB3 ASN 78 14.282 7.170 2.981 663 HD21 ASN 78 HD21 ASN 78 14.630 4.163 1.580 664 HD22 ASN 78 HD22 ASN 78 16.150 3.746 2.362 665 H LYS 79 HN LYS 79 10.974 5.969 3.773 666 HA LYS 79 HA LYS 79 9.826 8.189 5.222 667 HB2 LYS 79 HB2 LYS 79 10.877 8.568 2.476 668 HB3 LYS 79 HB3 LYS 79 9.152 8.899 2.567 669 HG2 LYS 79 HG2 LYS 79 9.381 10.657 4.059 670 HG3 LYS 79 HG3 LYS 79 10.956 10.122 4.659 671 HD2 LYS 79 HD2 LYS 79 11.962 10.640 2.471 672 HD3 LYS 79 HD3 LYS 79 10.422 11.295 1.895 673 HE2 LYS 79 HE2 LYS 79 11.986 12.269 4.332 674 HE3 LYS 79 HE3 LYS 79 12.093 12.995 2.722 675 HZ1 LYS 79 HZ1 LYS 79 10.612 14.185 4.137 676 HZ2 LYS 79 HZ2 LYS 79 9.631 12.881 4.363 677 HZ3 LYS 79 HZ3 LYS 79 9.759 13.531 2.862 678 H ILE 80 HN ILE 80 7.475 8.312 4.735 679 HA ILE 80 HA ILE 80 6.349 6.210 3.032 680 HB ILE 80 HB ILE 80 5.601 6.722 5.955 681 HG12 ILE 80 HG12 ILE 80 6.608 4.201 4.543 682 HG13 ILE 80 HG13 ILE 80 7.475 5.193 5.716 683 HG21 ILE 80 HG21 ILE 80 4.228 4.899 3.939 684 HG22 ILE 80 HG22 ILE 80 3.782 5.110 5.640 685 HG23 ILE 80 HG23 ILE 80 3.580 6.451 4.541 686 HD11 ILE 80 HD11 ILE 80 5.046 3.466 6.290 687 HD12 ILE 80 HD12 ILE 80 6.688 3.232 6.865 688 HD13 ILE 80 HD13 ILE 80 5.752 4.644 7.435 689 H ALA 81 HN ALA 81 4.353 6.976 2.119 690 HA ALA 81 HA ALA 81 3.170 9.410 3.174 691 HB1 ALA 81 HB1 ALA 81 3.945 9.394 0.209 692 HB2 ALA 81 HB2 ALA 81 3.097 10.664 1.106 693 HB3 ALA 81 HB3 ALA 81 4.785 10.315 1.465 694 H ILE 82 HN ILE 82 1.078 9.846 1.781 695 HA ILE 82 HA ILE 82 -0.216 7.357 0.883 696 HB ILE 82 HB ILE 82 -0.943 9.242 3.118 697 HG12 ILE 82 HG12 ILE 82 0.237 7.073 3.557 698 HG13 ILE 82 HG13 ILE 82 -1.228 7.279 4.429 699 HG21 ILE 82 HG21 ILE 82 -3.000 7.617 1.610 700 HG22 ILE 82 HG22 ILE 82 -3.236 8.360 3.207 701 HG23 ILE 82 HG23 ILE 82 -2.929 9.375 1.805 702 HD11 ILE 82 HD11 ILE 82 -1.156 5.662 1.897 703 HD12 ILE 82 HD12 ILE 82 -0.880 4.957 3.473 704 HD13 ILE 82 HD13 ILE 82 -2.447 5.707 3.145 705 H LEU 83 HN LEU 83 -1.625 7.717 -0.838 706 HA LEU 83 HA LEU 83 -2.013 10.513 -1.814 707 HB2 LEU 83 HB2 LEU 83 -0.325 8.821 -3.028 708 HB3 LEU 83 HB3 LEU 83 -1.812 8.072 -3.560 709 HG LEU 83 HG LEU 83 -2.418 10.632 -4.261 710 HD11 LEU 83 HD11 LEU 83 0.627 10.516 -4.278 711 HD12 LEU 83 HD12 LEU 83 -0.403 11.666 -3.378 712 HD13 LEU 83 HD13 LEU 83 -0.348 11.695 -5.151 713 HD21 LEU 83 HD21 LEU 83 -2.428 8.756 -5.726 714 HD22 LEU 83 HD22 LEU 83 -0.647 8.650 -5.731 715 HD23 LEU 83 HD23 LEU 83 -1.478 10.037 -6.495 716 H GLU 84 HN GLU 84 -4.008 10.420 -3.463 717 HA GLU 84 HA GLU 84 -5.912 8.317 -2.927 718 HB2 GLU 84 HB2 GLU 84 -6.119 10.476 -1.265 719 HB3 GLU 84 HB3 GLU 84 -6.884 11.164 -2.692 720 HG2 GLU 84 HG2 GLU 84 -8.301 8.895 -2.634 721 HG3 GLU 84 HG3 GLU 84 -7.746 8.841 -0.973 722 H GLU 85 HN GLU 85 -7.311 8.095 -4.667 723 HA GLU 85 HA GLU 85 -6.949 9.564 -7.153 724 HB2 GLU 85 HB2 GLU 85 -7.827 7.155 -6.914 725 HB3 GLU 85 HB3 GLU 85 -9.218 7.814 -6.071 726 HG2 GLU 85 HG2 GLU 85 -9.988 7.455 -8.222 727 HG3 GLU 85 HG3 GLU 85 -9.751 9.165 -8.149 728 H TYR 86 HN TYR 86 -8.545 11.093 -7.888 729 HA TYR 86 HA TYR 86 -10.917 11.712 -6.653 730 HB2 TYR 86 HB2 TYR 86 -10.662 13.989 -5.914 731 HB3 TYR 86 HB3 TYR 86 -9.693 12.918 -4.960 732 HD1 TYR 86 HD1 TYR 86 -7.217 12.930 -5.067 733 HD2 TYR 86 HD2 TYR 86 -9.645 15.772 -7.251 734 HE1 TYR 86 HE1 TYR 86 -5.299 14.498 -5.165 735 HE2 TYR 86 HE2 TYR 86 -7.738 17.304 -7.390 736 HH TYR 86 HH TYR 86 -5.766 17.797 -6.099 737 H GLN 87 HN GLN 87 -11.556 14.179 -7.889 738 HA GLN 87 HA GLN 87 -10.615 13.875 -10.677 739 HB2 GLN 87 HB2 GLN 87 -13.544 13.755 -9.821 740 HB3 GLN 87 HB3 GLN 87 -12.951 13.974 -11.476 741 HG2 GLN 87 HG2 GLN 87 -13.466 11.726 -11.453 742 HG3 GLN 87 HG3 GLN 87 -11.745 11.693 -11.160 743 HE21 GLN 87 HE21 GLN 87 -11.075 10.617 -9.270 744 HE22 GLN 87 HE22 GLN 87 -12.184 10.013 -8.026 Start of MODEL 27 1 H1 GLY 1 HN GLY 1 -1.969 -14.625 6.893 2 HA2 GLY 1 HA1 GLY 1 -2.471 -17.004 6.393 3 HA3 GLY 1 HA2 GLY 1 -4.091 -16.686 7.045 4 H GLU 2 HN GLU 2 -5.376 -16.878 5.195 5 HA GLU 2 HA GLU 2 -4.725 -15.347 2.774 6 HB2 GLU 2 HB2 GLU 2 -7.275 -16.869 3.485 7 HB3 GLU 2 HB3 GLU 2 -6.784 -16.207 1.910 8 HG2 GLU 2 HG2 GLU 2 -4.642 -17.681 2.221 9 HG3 GLU 2 HG3 GLU 2 -5.548 -18.517 3.469 10 H GLU 3 HN GLU 3 -5.128 -13.176 2.706 11 HA GLU 3 HA GLU 3 -6.579 -11.969 4.921 12 HB2 GLU 3 HB2 GLU 3 -4.055 -11.691 4.086 13 HB3 GLU 3 HB3 GLU 3 -4.787 -10.699 2.828 14 HG2 GLU 3 HG2 GLU 3 -4.394 -9.108 4.384 15 HG3 GLU 3 HG3 GLU 3 -6.024 -9.600 4.883 16 H THR 4 HN THR 4 -6.605 -12.417 1.425 17 HA THR 4 HA THR 4 -9.149 -11.042 1.107 18 HB THR 4 HB THR 4 -7.715 -10.063 -1.083 19 HG1 THR 4 HG1 THR 4 -5.776 -10.575 0.257 20 HG21 THR 4 HG21 THR 4 -8.385 -8.623 1.504 21 HG22 THR 4 HG22 THR 4 -9.409 -8.780 0.068 22 HG23 THR 4 HG23 THR 4 -7.926 -7.840 -0.027 23 HA PRO 5 HA PRO 5 -9.632 -14.435 -1.658 24 HB2 PRO 5 HB2 PRO 5 -11.696 -13.614 -3.260 25 HB3 PRO 5 HB3 PRO 5 -11.890 -13.922 -1.506 26 HG2 PRO 5 HG2 PRO 5 -11.339 -11.244 -2.847 27 HG3 PRO 5 HG3 PRO 5 -12.663 -11.665 -1.694 28 HD2 PRO 5 HD2 PRO 5 -10.403 -10.513 -0.844 29 HD3 PRO 5 HD3 PRO 5 -11.139 -11.843 0.108 30 H LEU 6 HN LEU 6 -7.469 -14.137 -2.515 31 HA LEU 6 HA LEU 6 -7.329 -13.269 -5.375 32 HB2 LEU 6 HB2 LEU 6 -5.572 -12.433 -3.042 33 HB3 LEU 6 HB3 LEU 6 -5.139 -12.158 -4.698 34 HG LEU 6 HG LEU 6 -7.673 -10.973 -3.494 35 HD11 LEU 6 HD11 LEU 6 -6.463 -8.872 -3.327 36 HD12 LEU 6 HD12 LEU 6 -4.946 -9.685 -3.816 37 HD13 LEU 6 HD13 LEU 6 -5.737 -10.113 -2.299 38 HD21 LEU 6 HD21 LEU 6 -7.686 -11.142 -5.954 39 HD22 LEU 6 HD22 LEU 6 -6.085 -10.349 -6.037 40 HD23 LEU 6 HD23 LEU 6 -7.513 -9.460 -5.460 41 H VAL 7 HN VAL 7 -7.608 -15.748 -5.228 42 HA VAL 7 HA VAL 7 -5.632 -17.438 -4.289 43 HB VAL 7 HB VAL 7 -6.496 -19.072 -5.924 44 HG11 VAL 7 HG11 VAL 7 -8.732 -17.400 -4.674 45 HG12 VAL 7 HG12 VAL 7 -8.812 -19.103 -5.151 46 HG13 VAL 7 HG13 VAL 7 -7.749 -18.611 -3.832 47 HG21 VAL 7 HG21 VAL 7 -8.328 -18.483 -7.458 48 HG22 VAL 7 HG22 VAL 7 -8.124 -16.767 -7.100 49 HG23 VAL 7 HG23 VAL 7 -6.824 -17.680 -7.915 50 H THR 8 HN THR 8 -5.127 -15.149 -6.789 51 HA THR 8 HA THR 8 -3.019 -16.834 -8.079 52 HB THR 8 HB THR 8 -3.207 -15.523 -10.021 53 HG1 THR 8 HG1 THR 8 -5.141 -13.766 -8.937 54 HG21 THR 8 HG21 THR 8 -6.027 -15.689 -8.939 55 HG22 THR 8 HG22 THR 8 -5.118 -17.088 -9.605 56 HG23 THR 8 HG23 THR 8 -5.535 -15.714 -10.633 57 H ALA 9 HN ALA 9 -3.168 -14.926 -5.616 58 HA ALA 9 HA ALA 9 -0.885 -13.120 -6.045 59 HB1 ALA 9 HB1 ALA 9 -3.850 -12.654 -6.372 60 HB2 ALA 9 HB2 ALA 9 -2.795 -11.305 -5.799 61 HB3 ALA 9 HB3 ALA 9 -2.554 -12.118 -7.369 62 H ARG 10 HN ARG 10 -1.926 -15.255 -4.124 63 HA ARG 10 HA ARG 10 -2.937 -14.114 -1.764 64 HB2 ARG 10 HB2 ARG 10 -2.947 -16.512 -2.818 65 HB3 ARG 10 HB3 ARG 10 -1.458 -16.739 -1.887 66 HG2 ARG 10 HG2 ARG 10 -2.826 -16.213 0.203 67 HG3 ARG 10 HG3 ARG 10 -4.239 -16.033 -0.838 68 HD2 ARG 10 HD2 ARG 10 -4.276 -18.251 0.051 69 HD3 ARG 10 HD3 ARG 10 -3.904 -18.369 -1.667 70 HE ARG 10 HE ARG 10 -1.470 -18.296 -0.230 71 HH11 ARG 10 HH11 ARG 10 -4.280 -20.371 0.175 72 HH12 ARG 10 HH12 ARG 10 -3.469 -21.870 0.016 73 HH21 ARG 10 HH21 ARG 10 -0.240 -20.271 -0.476 74 HH22 ARG 10 HH22 ARG 10 -0.962 -21.753 0.019 75 H HIS 11 HN HIS 11 -0.012 -13.173 -2.688 76 HA HIS 11 HA HIS 11 1.452 -14.084 -0.323 77 HB2 HIS 11 HB2 HIS 11 3.516 -13.788 -1.344 78 HB3 HIS 11 HB3 HIS 11 2.460 -14.793 -2.322 79 HD1 HIS 11 HD1 HIS 11 4.949 -13.494 -3.675 80 HD2 HIS 11 HD2 HIS 11 1.112 -11.823 -3.423 81 HE1 HIS 11 HE1 HIS 11 4.781 -11.884 -5.648 82 H MET 12 HN MET 12 2.845 -12.779 0.921 83 HA MET 12 HA MET 12 2.198 -9.905 1.057 84 HB2 MET 12 HB2 MET 12 1.496 -11.961 3.208 85 HB3 MET 12 HB3 MET 12 1.368 -10.224 3.375 86 HG2 MET 12 HG2 MET 12 -0.199 -10.316 1.312 87 HG3 MET 12 HG3 MET 12 -0.328 -12.024 1.684 88 HE1 MET 12 HE1 MET 12 -2.205 -8.427 3.795 89 HE2 MET 12 HE2 MET 12 -0.695 -8.387 2.885 90 HE3 MET 12 HE3 MET 12 -2.217 -8.773 2.049 91 H SER 13 HN SER 13 3.378 -9.003 3.196 92 HA SER 13 HA SER 13 6.200 -9.862 2.873 93 HB2 SER 13 HB2 SER 13 5.219 -8.548 0.935 94 HB3 SER 13 HB3 SER 13 4.948 -7.216 2.051 95 HG SER 13 HG SER 13 7.482 -8.383 1.443 96 H LYS 14 HN LYS 14 7.603 -7.968 3.693 97 HA LYS 14 HA LYS 14 7.321 -7.311 6.459 98 HB2 LYS 14 HB2 LYS 14 9.478 -7.347 5.269 99 HB3 LYS 14 HB3 LYS 14 8.960 -5.975 4.301 100 HG2 LYS 14 HG2 LYS 14 10.340 -5.055 5.987 101 HG3 LYS 14 HG3 LYS 14 8.697 -4.669 6.484 102 HD2 LYS 14 HD2 LYS 14 8.796 -6.725 8.003 103 HD3 LYS 14 HD3 LYS 14 10.514 -6.865 7.568 104 HE2 LYS 14 HE2 LYS 14 10.734 -4.424 8.414 105 HE3 LYS 14 HE3 LYS 14 9.112 -4.608 9.059 106 HZ1 LYS 14 HZ1 LYS 14 10.424 -5.198 10.817 107 HZ2 LYS 14 HZ2 LYS 14 11.554 -5.974 9.904 108 HZ3 LYS 14 HZ3 LYS 14 10.075 -6.673 10.195 109 H TRP 15 HN TRP 15 6.777 -5.369 3.518 110 HA TRP 15 HA TRP 15 5.823 -3.165 5.159 111 HB2 TRP 15 HB2 TRP 15 6.266 -3.369 2.163 112 HB3 TRP 15 HB3 TRP 15 6.005 -1.892 3.084 113 HD1 TRP 15 HD1 TRP 15 8.676 -4.520 2.357 114 HE1 TRP 15 HE1 TRP 15 10.912 -3.829 3.303 115 HE3 TRP 15 HE3 TRP 15 7.137 -0.426 5.054 116 HZ2 TRP 15 HZ2 TRP 15 11.929 -1.681 4.961 117 HZ3 TRP 15 HZ3 TRP 15 8.764 0.840 6.409 118 HH2 TRP 15 HH2 TRP 15 11.197 0.213 6.363 119 H GLU 16 HN GLU 16 4.136 -5.763 3.913 120 HA GLU 16 HA GLU 16 1.927 -4.484 2.634 121 HB2 GLU 16 HB2 GLU 16 0.898 -6.624 2.653 122 HB3 GLU 16 HB3 GLU 16 2.602 -6.909 2.509 123 HG2 GLU 16 HG2 GLU 16 2.147 -8.465 4.033 124 HG3 GLU 16 HG3 GLU 16 2.575 -7.200 5.126 125 H GLU 17 HN GLU 17 2.316 -5.674 6.005 126 HA GLU 17 HA GLU 17 -0.204 -4.901 6.790 127 HB2 GLU 17 HB2 GLU 17 2.399 -5.414 8.255 128 HB3 GLU 17 HB3 GLU 17 1.106 -4.624 9.146 129 HG2 GLU 17 HG2 GLU 17 -0.391 -6.595 8.107 130 HG3 GLU 17 HG3 GLU 17 1.189 -7.386 7.977 131 H ILE 18 HN ILE 18 2.749 -2.998 6.786 132 HA ILE 18 HA ILE 18 1.800 -0.710 8.206 133 HB ILE 18 HB ILE 18 3.906 -0.938 6.000 134 HG12 ILE 18 HG12 ILE 18 4.237 -0.915 9.037 135 HG13 ILE 18 HG13 ILE 18 4.314 -2.366 8.051 136 HG21 ILE 18 HG21 ILE 18 3.093 1.404 6.325 137 HG22 ILE 18 HG22 ILE 18 3.483 1.289 8.050 138 HG23 ILE 18 HG23 ILE 18 4.763 1.223 6.817 139 HD11 ILE 18 HD11 ILE 18 6.272 -0.058 7.770 140 HD12 ILE 18 HD12 ILE 18 6.546 -1.558 8.646 141 HD13 ILE 18 HD13 ILE 18 6.288 -1.617 6.898 142 H ALA 19 HN ALA 19 1.915 -1.489 4.670 143 HA ALA 19 HA ALA 19 0.665 0.925 3.919 144 HB1 ALA 19 HB1 ALA 19 2.004 -0.461 2.375 145 HB2 ALA 19 HB2 ALA 19 0.750 -1.722 2.413 146 HB3 ALA 19 HB3 ALA 19 0.386 -0.118 1.733 147 H VAL 20 HN VAL 20 -0.777 -2.375 4.339 148 HA VAL 20 HA VAL 20 -3.406 -1.617 3.616 149 HB VAL 20 HB VAL 20 -2.435 -3.772 5.541 150 HG11 VAL 20 HG11 VAL 20 -4.842 -3.382 5.798 151 HG12 VAL 20 HG12 VAL 20 -5.087 -3.523 4.049 152 HG13 VAL 20 HG13 VAL 20 -4.552 -4.938 4.978 153 HG21 VAL 20 HG21 VAL 20 -1.536 -3.933 3.116 154 HG22 VAL 20 HG22 VAL 20 -2.377 -5.327 3.772 155 HG23 VAL 20 HG23 VAL 20 -3.209 -4.241 2.631 156 H LYS 21 HN LYS 21 -1.734 -1.582 6.814 157 HA LYS 21 HA LYS 21 -4.081 -0.866 8.291 158 HB2 LYS 21 HB2 LYS 21 -1.113 -0.543 8.847 159 HB3 LYS 21 HB3 LYS 21 -2.339 -0.025 9.985 160 HG2 LYS 21 HG2 LYS 21 -3.240 -2.297 10.197 161 HG3 LYS 21 HG3 LYS 21 -2.115 -2.897 8.997 162 HD2 LYS 21 HD2 LYS 21 -0.266 -1.826 10.549 163 HD3 LYS 21 HD3 LYS 21 -1.519 -1.868 11.788 164 HE2 LYS 21 HE2 LYS 21 -0.503 -4.220 10.144 165 HE3 LYS 21 HE3 LYS 21 0.069 -3.832 11.767 166 HZ1 LYS 21 HZ1 LYS 21 -2.015 -4.458 12.647 167 HZ2 LYS 21 HZ2 LYS 21 -1.544 -5.602 11.549 168 HZ3 LYS 21 HZ3 LYS 21 -2.725 -4.537 11.139 169 H GLU 22 HN GLU 22 -1.499 1.050 6.675 170 HA GLU 22 HA GLU 22 -2.356 3.588 7.580 171 HB2 GLU 22 HB2 GLU 22 -0.653 2.707 5.261 172 HB3 GLU 22 HB3 GLU 22 -1.118 4.384 5.572 173 HG2 GLU 22 HG2 GLU 22 -0.193 3.241 8.037 174 HG3 GLU 22 HG3 GLU 22 1.016 2.961 6.817 175 H ALA 23 HN ALA 23 -3.103 1.845 4.485 176 HA ALA 23 HA ALA 23 -4.829 3.927 3.585 177 HB1 ALA 23 HB1 ALA 23 -5.711 2.083 2.033 178 HB2 ALA 23 HB2 ALA 23 -3.997 2.524 1.937 179 HB3 ALA 23 HB3 ALA 23 -4.473 1.044 2.802 180 H LYS 24 HN LYS 24 -5.497 1.384 5.972 181 HA LYS 24 HA LYS 24 -8.401 2.062 5.799 182 HB2 LYS 24 HB2 LYS 24 -8.912 0.610 7.471 183 HB3 LYS 24 HB3 LYS 24 -7.815 -0.225 6.378 184 HG2 LYS 24 HG2 LYS 24 -6.012 -0.093 7.932 185 HG3 LYS 24 HG3 LYS 24 -6.886 1.083 8.927 186 HD2 LYS 24 HD2 LYS 24 -6.941 -0.980 10.092 187 HD3 LYS 24 HD3 LYS 24 -8.578 -0.665 9.464 188 HE2 LYS 24 HE2 LYS 24 -8.294 -2.266 7.707 189 HE3 LYS 24 HE3 LYS 24 -6.562 -2.457 8.040 190 HZ1 LYS 24 HZ1 LYS 24 -8.147 -4.195 8.938 191 HZ2 LYS 24 HZ2 LYS 24 -8.603 -3.117 10.063 192 HZ3 LYS 24 HZ3 LYS 24 -7.019 -3.614 9.993 193 H LYS 25 HN LYS 25 -5.550 3.018 7.785 194 HA LYS 25 HA LYS 25 -7.273 4.250 9.764 195 HB2 LYS 25 HB2 LYS 25 -5.327 4.888 10.939 196 HB3 LYS 25 HB3 LYS 25 -5.161 3.226 10.397 197 HG2 LYS 25 HG2 LYS 25 -3.103 3.802 9.692 198 HG3 LYS 25 HG3 LYS 25 -3.931 4.580 8.388 199 HD2 LYS 25 HD2 LYS 25 -2.979 6.487 8.869 200 HD3 LYS 25 HD3 LYS 25 -3.889 6.564 10.375 201 HE2 LYS 25 HE2 LYS 25 -1.157 5.240 9.962 202 HE3 LYS 25 HE3 LYS 25 -1.430 6.825 10.683 203 HZ1 LYS 25 HZ1 LYS 25 -2.700 5.735 12.443 204 HZ2 LYS 25 HZ2 LYS 25 -1.129 5.172 12.359 205 HZ3 LYS 25 HZ3 LYS 25 -2.348 4.251 11.791 206 H ARG 26 HN ARG 26 -5.278 5.530 7.129 207 HA ARG 26 HA ARG 26 -5.643 8.285 7.867 208 HB2 ARG 26 HB2 ARG 26 -3.878 7.152 6.266 209 HB3 ARG 26 HB3 ARG 26 -5.115 7.347 5.037 210 HG2 ARG 26 HG2 ARG 26 -3.768 9.270 4.809 211 HG3 ARG 26 HG3 ARG 26 -5.132 9.877 5.735 212 HD2 ARG 26 HD2 ARG 26 -3.619 9.210 7.808 213 HD3 ARG 26 HD3 ARG 26 -2.311 9.290 6.625 214 HE ARG 26 HE ARG 26 -3.147 11.623 6.116 215 HH11 ARG 26 HH11 ARG 26 -3.291 10.268 9.393 216 HH12 ARG 26 HH12 ARG 26 -3.861 11.742 10.126 217 HH21 ARG 26 HH21 ARG 26 -3.424 13.722 7.245 218 HH22 ARG 26 HH22 ARG 26 -3.690 13.709 8.937 219 H TYR 27 HN TYR 27 -8.109 6.271 7.188 220 HA TYR 27 HA TYR 27 -9.765 8.223 5.724 221 HB2 TYR 27 HB2 TYR 27 -9.437 5.267 5.122 222 HB3 TYR 27 HB3 TYR 27 -10.657 6.331 4.435 223 HD1 TYR 27 HD1 TYR 27 -10.039 8.151 2.844 224 HD2 TYR 27 HD2 TYR 27 -7.073 5.470 4.454 225 HE1 TYR 27 HE1 TYR 27 -8.443 8.884 1.124 226 HE2 TYR 27 HE2 TYR 27 -5.457 6.193 2.731 227 HH TYR 27 HH TYR 27 -6.354 8.272 0.033 228 HA PRO 28 HA PRO 28 -11.792 6.748 9.561 229 HB2 PRO 28 HB2 PRO 28 -12.681 9.253 10.354 230 HB3 PRO 28 HB3 PRO 28 -11.126 8.517 10.810 231 HG2 PRO 28 HG2 PRO 28 -11.629 10.711 8.858 232 HG3 PRO 28 HG3 PRO 28 -10.134 10.300 9.756 233 HD2 PRO 28 HD2 PRO 28 -10.811 9.719 7.049 234 HD3 PRO 28 HD3 PRO 28 -9.356 9.209 7.957 235 H LEU 29 HN LEU 29 -12.891 8.976 6.958 236 HA LEU 29 HA LEU 29 -15.726 8.473 7.581 237 HB2 LEU 29 HB2 LEU 29 -14.226 10.264 5.665 238 HB3 LEU 29 HB3 LEU 29 -15.941 10.010 5.469 239 HG LEU 29 HG LEU 29 -15.551 12.059 6.633 240 HD11 LEU 29 HD11 LEU 29 -17.574 10.652 7.149 241 HD12 LEU 29 HD12 LEU 29 -17.150 11.839 8.382 242 HD13 LEU 29 HD13 LEU 29 -16.772 10.116 8.634 243 HD21 LEU 29 HD21 LEU 29 -13.429 11.457 7.750 244 HD22 LEU 29 HD22 LEU 29 -14.343 10.468 8.923 245 HD23 LEU 29 HD23 LEU 29 -14.574 12.226 8.844 246 H ALA 30 HN ALA 30 -13.691 6.381 6.365 247 HA ALA 30 HA ALA 30 -15.526 5.346 4.372 248 HB1 ALA 30 HB1 ALA 30 -13.725 5.109 2.645 249 HB2 ALA 30 HB2 ALA 30 -14.095 6.803 2.987 250 HB3 ALA 30 HB3 ALA 30 -12.638 6.054 3.665 251 H GLN 31 HN GLN 31 -14.510 3.210 3.556 252 HA GLN 31 HA GLN 31 -13.094 1.749 5.748 253 HB2 GLN 31 HB2 GLN 31 -15.126 0.269 4.164 254 HB3 GLN 31 HB3 GLN 31 -14.689 0.108 5.855 255 HG2 GLN 31 HG2 GLN 31 -16.138 1.911 6.493 256 HG3 GLN 31 HG3 GLN 31 -16.435 2.387 4.812 257 HE21 GLN 31 HE21 GLN 31 -17.121 0.542 3.374 258 HE22 GLN 31 HE22 GLN 31 -18.645 -0.160 3.892 259 H VAL 32 HN VAL 32 -11.801 -0.015 4.965 260 HA VAL 32 HA VAL 32 -11.173 0.139 2.091 261 HB VAL 32 HB VAL 32 -9.517 0.317 4.034 262 HG11 VAL 32 HG11 VAL 32 -8.480 -1.744 4.846 263 HG12 VAL 32 HG12 VAL 32 -10.180 -1.665 5.354 264 HG13 VAL 32 HG13 VAL 32 -9.690 -2.723 4.017 265 HG21 VAL 32 HG21 VAL 32 -7.740 -0.636 2.767 266 HG22 VAL 32 HG22 VAL 32 -8.877 -1.625 1.812 267 HG23 VAL 32 HG23 VAL 32 -8.887 0.145 1.683 268 H LEU 33 HN LEU 33 -11.549 -1.730 0.655 269 HA LEU 33 HA LEU 33 -12.793 -4.146 1.756 270 HB2 LEU 33 HB2 LEU 33 -13.422 -3.061 -0.974 271 HB3 LEU 33 HB3 LEU 33 -14.379 -3.963 0.123 272 HG LEU 33 HG LEU 33 -14.663 -1.901 1.568 273 HD11 LEU 33 HD11 LEU 33 -12.902 -0.402 0.520 274 HD12 LEU 33 HD12 LEU 33 -14.506 0.242 0.376 275 HD13 LEU 33 HD13 LEU 33 -13.761 -0.574 -1.016 276 HD21 LEU 33 HD21 LEU 33 -16.399 -1.035 0.002 277 HD22 LEU 33 HD22 LEU 33 -16.362 -2.813 -0.027 278 HD23 LEU 33 HD23 LEU 33 -15.579 -1.884 -1.335 279 H PHE 34 HN PHE 34 -9.987 -3.215 0.393 280 HA PHE 34 HA PHE 34 -9.436 -5.743 -1.015 281 HB2 PHE 34 HB2 PHE 34 -9.310 -2.960 -2.202 282 HB3 PHE 34 HB3 PHE 34 -7.961 -3.982 -2.524 283 HD1 PHE 34 HD1 PHE 34 -11.583 -3.527 -3.191 284 HD2 PHE 34 HD2 PHE 34 -8.039 -5.874 -4.010 285 HE1 PHE 34 HE1 PHE 34 -12.685 -4.535 -5.131 286 HE2 PHE 34 HE2 PHE 34 -9.135 -6.819 -6.006 287 HZ PHE 34 HZ PHE 34 -11.462 -6.123 -6.587 288 H LYS 35 HN LYS 35 -6.958 -5.927 -1.222 289 HA LYS 35 HA LYS 35 -5.371 -4.314 0.663 290 HB2 LYS 35 HB2 LYS 35 -5.577 -7.328 0.960 291 HB3 LYS 35 HB3 LYS 35 -4.596 -6.238 1.930 292 HG2 LYS 35 HG2 LYS 35 -6.651 -5.205 2.869 293 HG3 LYS 35 HG3 LYS 35 -7.641 -6.320 1.898 294 HD2 LYS 35 HD2 LYS 35 -6.242 -8.188 3.046 295 HD3 LYS 35 HD3 LYS 35 -5.871 -6.953 4.248 296 HE2 LYS 35 HE2 LYS 35 -8.519 -8.253 3.540 297 HE3 LYS 35 HE3 LYS 35 -7.715 -8.184 5.104 298 HZ1 LYS 35 HZ1 LYS 35 -9.224 -6.074 3.721 299 HZ2 LYS 35 HZ2 LYS 35 -8.208 -5.727 5.011 300 HZ3 LYS 35 HZ3 LYS 35 -9.492 -6.705 5.209 301 H GLN 36 HN GLN 36 -5.129 -4.261 -2.160 302 HA GLN 36 HA GLN 36 -3.489 -6.557 -2.996 303 HB2 GLN 36 HB2 GLN 36 -5.731 -5.612 -4.129 304 HB3 GLN 36 HB3 GLN 36 -4.577 -4.593 -4.989 305 HG2 GLN 36 HG2 GLN 36 -3.356 -6.658 -5.718 306 HG3 GLN 36 HG3 GLN 36 -4.467 -7.647 -4.782 307 HE21 GLN 36 HE21 GLN 36 -3.886 -6.490 -7.893 308 HE22 GLN 36 HE22 GLN 36 -5.517 -6.648 -8.545 309 H LYS 37 HN LYS 37 -2.224 -5.233 -5.274 310 HA LYS 37 HA LYS 37 -0.208 -3.664 -3.797 311 HB2 LYS 37 HB2 LYS 37 -0.041 -6.407 -4.058 312 HB3 LYS 37 HB3 LYS 37 0.777 -5.889 -5.507 313 HG2 LYS 37 HG2 LYS 37 1.886 -4.229 -3.487 314 HG3 LYS 37 HG3 LYS 37 1.598 -5.784 -2.685 315 HD2 LYS 37 HD2 LYS 37 2.766 -6.872 -4.682 316 HD3 LYS 37 HD3 LYS 37 3.219 -5.228 -5.174 317 HE2 LYS 37 HE2 LYS 37 4.467 -4.875 -3.122 318 HE3 LYS 37 HE3 LYS 37 3.876 -6.410 -2.470 319 HZ1 LYS 37 HZ1 LYS 37 5.594 -6.150 -4.856 320 HZ2 LYS 37 HZ2 LYS 37 5.026 -7.562 -4.218 321 HZ3 LYS 37 HZ3 LYS 37 6.085 -6.700 -3.351 322 H VAL 38 HN VAL 38 1.773 -3.422 -5.543 323 HA VAL 38 HA VAL 38 0.769 -2.792 -8.209 324 HB VAL 38 HB VAL 38 1.784 -0.603 -8.264 325 HG11 VAL 38 HG11 VAL 38 -0.598 -0.722 -7.695 326 HG12 VAL 38 HG12 VAL 38 -0.184 -0.743 -5.962 327 HG13 VAL 38 HG13 VAL 38 0.192 0.675 -6.953 328 HG21 VAL 38 HG21 VAL 38 2.006 -0.051 -5.405 329 HG22 VAL 38 HG22 VAL 38 3.157 -1.292 -5.905 330 HG23 VAL 38 HG23 VAL 38 3.148 0.273 -6.721 331 H TRP 39 HN TRP 39 3.167 -1.615 -9.128 332 HA TRP 39 HA TRP 39 5.088 -3.713 -9.475 333 HB2 TRP 39 HB2 TRP 39 4.731 -1.910 -11.051 334 HB3 TRP 39 HB3 TRP 39 5.001 -0.702 -9.820 335 HD1 TRP 39 HD1 TRP 39 6.925 -2.962 -12.228 336 HE1 TRP 39 HE1 TRP 39 9.250 -1.911 -12.594 337 HE3 TRP 39 HE3 TRP 39 6.862 0.546 -8.502 338 HZ2 TRP 39 HZ2 TRP 39 10.550 0.528 -11.840 339 HZ3 TRP 39 HZ3 TRP 39 8.653 2.254 -8.367 340 HH2 TRP 39 HH2 TRP 39 10.494 2.258 -10.057 341 H ASP 40 HN ASP 40 7.356 -3.570 -8.684 342 HA ASP 40 HA ASP 40 7.842 -2.381 -6.043 343 HB2 ASP 40 HB2 ASP 40 7.044 -4.531 -5.364 344 HB3 ASP 40 HB3 ASP 40 7.826 -5.349 -6.700 345 H ARG 41 HN ARG 41 10.060 -1.797 -5.944 346 HA ARG 41 HA ARG 41 11.861 -2.966 -7.885 347 HB2 ARG 41 HB2 ARG 41 10.444 -0.935 -8.892 348 HB3 ARG 41 HB3 ARG 41 11.625 0.059 -8.060 349 HG2 ARG 41 HG2 ARG 41 12.730 -2.196 -9.703 350 HG3 ARG 41 HG3 ARG 41 11.837 -1.023 -10.626 351 HD2 ARG 41 HD2 ARG 41 14.107 -0.314 -8.745 352 HD3 ARG 41 HD3 ARG 41 14.267 -0.648 -10.496 353 HE ARG 41 HE ARG 41 13.119 1.734 -9.196 354 HH11 ARG 41 HH11 ARG 41 13.580 -0.006 -12.267 355 HH12 ARG 41 HH12 ARG 41 13.337 1.395 -13.247 356 HH21 ARG 41 HH21 ARG 41 12.806 3.517 -10.422 357 HH22 ARG 41 HH22 ARG 41 12.676 3.446 -12.163 358 H LYS 42 HN LYS 42 14.135 -2.125 -7.610 359 HA LYS 42 HA LYS 42 14.650 -0.931 -4.964 360 HB2 LYS 42 HB2 LYS 42 14.735 -3.376 -4.742 361 HB3 LYS 42 HB3 LYS 42 15.822 -3.426 -6.141 362 HG2 LYS 42 HG2 LYS 42 17.639 -2.548 -4.960 363 HG3 LYS 42 HG3 LYS 42 16.652 -2.199 -3.516 364 HD2 LYS 42 HD2 LYS 42 16.281 -4.532 -3.134 365 HD3 LYS 42 HD3 LYS 42 16.915 -4.995 -4.711 366 HE2 LYS 42 HE2 LYS 42 18.687 -3.673 -2.623 367 HE3 LYS 42 HE3 LYS 42 18.368 -5.414 -2.625 368 HZ1 LYS 42 HZ1 LYS 42 19.250 -5.461 -4.932 369 HZ2 LYS 42 HZ2 LYS 42 20.350 -5.045 -3.795 370 HZ3 LYS 42 HZ3 LYS 42 19.745 -3.893 -4.751 371 H ARG 43 HN ARG 43 16.697 -0.081 -4.803 372 HA ARG 43 HA ARG 43 18.119 0.660 -7.301 373 HB2 ARG 43 HB2 ARG 43 17.255 2.605 -5.094 374 HB3 ARG 43 HB3 ARG 43 18.454 2.972 -6.329 375 HG2 ARG 43 HG2 ARG 43 15.517 2.462 -6.846 376 HG3 ARG 43 HG3 ARG 43 16.422 3.982 -6.984 377 HD2 ARG 43 HD2 ARG 43 17.942 2.617 -8.654 378 HD3 ARG 43 HD3 ARG 43 16.545 1.525 -8.733 379 HE ARG 43 HE ARG 43 16.088 4.395 -9.230 380 HH11 ARG 43 HH11 ARG 43 17.158 1.374 -10.693 381 HH12 ARG 43 HH12 ARG 43 16.865 1.873 -12.322 382 HH21 ARG 43 HH21 ARG 43 15.398 4.976 -11.271 383 HH22 ARG 43 HH22 ARG 43 15.855 4.049 -12.685 384 H LYS 44 HN LYS 44 20.154 2.185 -5.853 385 HA LYS 44 HA LYS 44 21.676 -0.205 -5.058 386 HB2 LYS 44 HB2 LYS 44 22.385 2.763 -5.290 387 HB3 LYS 44 HB3 LYS 44 23.469 1.532 -4.647 388 HG2 LYS 44 HG2 LYS 44 24.128 1.683 -6.848 389 HG3 LYS 44 HG3 LYS 44 23.144 0.225 -6.821 390 HD2 LYS 44 HD2 LYS 44 21.235 1.653 -7.795 391 HD3 LYS 44 HD3 LYS 44 22.390 2.973 -7.928 392 HE2 LYS 44 HE2 LYS 44 22.438 0.263 -9.323 393 HE3 LYS 44 HE3 LYS 44 22.186 1.850 -10.061 394 HZ1 LYS 44 HZ1 LYS 44 24.693 0.840 -8.876 395 HZ2 LYS 44 HZ2 LYS 44 24.516 2.378 -9.397 396 HZ3 LYS 44 HZ3 LYS 44 24.389 1.107 -10.458 397 H ASP 45 HN ASP 45 20.423 2.804 -3.584 398 HA ASP 45 HA ASP 45 20.201 1.554 -0.944 399 HB2 ASP 45 HB2 ASP 45 21.063 3.820 -0.118 400 HB3 ASP 45 HB3 ASP 45 22.216 2.616 -0.647 401 H GLU 46 HN GLU 46 18.125 1.528 -2.504 402 HA GLU 46 HA GLU 46 16.407 2.640 -0.724 403 HB2 GLU 46 HB2 GLU 46 16.665 4.321 -3.130 404 HB3 GLU 46 HB3 GLU 46 15.023 3.763 -2.911 405 HG2 GLU 46 HG2 GLU 46 14.782 4.692 -0.768 406 HG3 GLU 46 HG3 GLU 46 16.504 4.947 -0.540 407 H ALA 47 HN ALA 47 14.146 1.965 -1.272 408 HA ALA 47 HA ALA 47 13.731 -0.077 -3.318 409 HB1 ALA 47 HB1 ALA 47 13.703 -0.574 -0.311 410 HB2 ALA 47 HB2 ALA 47 13.114 -1.713 -1.562 411 HB3 ALA 47 HB3 ALA 47 14.835 -1.285 -1.467 412 H VAL 48 HN VAL 48 11.596 -0.004 -3.941 413 HA VAL 48 HA VAL 48 9.748 1.734 -2.414 414 HB VAL 48 HB VAL 48 8.988 2.662 -4.610 415 HG11 VAL 48 HG11 VAL 48 10.363 3.935 -2.989 416 HG12 VAL 48 HG12 VAL 48 11.835 3.364 -3.794 417 HG13 VAL 48 HG13 VAL 48 10.690 4.412 -4.659 418 HG21 VAL 48 HG21 VAL 48 10.067 1.089 -6.199 419 HG22 VAL 48 HG22 VAL 48 10.541 2.762 -6.505 420 HG23 VAL 48 HG23 VAL 48 11.669 1.664 -5.683 421 H LYS 49 HN LYS 49 7.923 0.727 -2.026 422 HA LYS 49 HA LYS 49 7.133 -1.686 -3.554 423 HB2 LYS 49 HB2 LYS 49 9.020 -2.167 -1.972 424 HB3 LYS 49 HB3 LYS 49 7.987 -1.665 -0.625 425 HG2 LYS 49 HG2 LYS 49 6.527 -3.576 -0.986 426 HG3 LYS 49 HG3 LYS 49 7.356 -3.980 -2.505 427 HD2 LYS 49 HD2 LYS 49 9.511 -4.292 -1.227 428 HD3 LYS 49 HD3 LYS 49 8.663 -3.862 0.251 429 HE2 LYS 49 HE2 LYS 49 8.552 -6.151 0.443 430 HE3 LYS 49 HE3 LYS 49 7.060 -5.860 -0.456 431 HZ1 LYS 49 HZ1 LYS 49 8.137 -7.559 -1.596 432 HZ2 LYS 49 HZ2 LYS 49 9.632 -6.891 -1.450 433 HZ3 LYS 49 HZ3 LYS 49 8.548 -6.252 -2.493 434 H GLN 50 HN GLN 50 5.576 0.234 -3.866 435 HA GLN 50 HA GLN 50 3.840 0.961 -1.652 436 HB2 GLN 50 HB2 GLN 50 3.635 1.398 -4.675 437 HB3 GLN 50 HB3 GLN 50 2.577 2.116 -3.476 438 HG2 GLN 50 HG2 GLN 50 3.986 3.857 -3.669 439 HG3 GLN 50 HG3 GLN 50 4.941 2.979 -2.477 440 HE21 GLN 50 HE21 GLN 50 5.850 4.975 -4.580 441 HE22 GLN 50 HE22 GLN 50 6.923 4.110 -5.616 442 H TYR 51 HN TYR 51 1.389 0.688 -1.943 443 HA TYR 51 HA TYR 51 0.637 -1.937 -3.080 444 HB2 TYR 51 HB2 TYR 51 0.020 -0.926 -0.288 445 HB3 TYR 51 HB3 TYR 51 -0.817 -2.262 -1.026 446 HD1 TYR 51 HD1 TYR 51 2.620 -1.139 -0.003 447 HD2 TYR 51 HD2 TYR 51 0.026 -4.484 -0.826 448 HE1 TYR 51 HE1 TYR 51 4.416 -2.640 0.612 449 HE2 TYR 51 HE2 TYR 51 1.833 -6.046 -0.100 450 HH TYR 51 HH TYR 51 5.082 -4.780 0.720 451 H HIS 52 HN HIS 52 -1.890 -2.096 -3.165 452 HA HIS 52 HA HIS 52 -3.088 0.538 -3.791 453 HB2 HIS 52 HB2 HIS 52 -2.385 -0.382 -5.928 454 HB3 HIS 52 HB3 HIS 52 -3.208 -1.905 -5.572 455 HD1 HIS 52 HD1 HIS 52 -4.720 1.738 -5.135 456 HD2 HIS 52 HD2 HIS 52 -5.155 -1.895 -7.293 457 HE1 HIS 52 HE1 HIS 52 -6.865 1.912 -6.412 458 H LEU 53 HN LEU 53 -5.071 0.734 -2.919 459 HA LEU 53 HA LEU 53 -6.652 -1.588 -2.154 460 HB2 LEU 53 HB2 LEU 53 -5.796 0.624 -0.200 461 HB3 LEU 53 HB3 LEU 53 -7.051 -0.573 0.070 462 HG LEU 53 HG LEU 53 -5.088 -2.319 -0.362 463 HD11 LEU 53 HD11 LEU 53 -3.205 -0.796 -0.794 464 HD12 LEU 53 HD12 LEU 53 -2.947 -1.590 0.744 465 HD13 LEU 53 HD13 LEU 53 -3.515 0.091 0.693 466 HD21 LEU 53 HD21 LEU 53 -4.692 -2.476 2.015 467 HD22 LEU 53 HD22 LEU 53 -6.385 -2.121 1.716 468 HD23 LEU 53 HD23 LEU 53 -5.329 -0.836 2.275 469 H THR 54 HN THR 54 -8.905 -0.874 -2.056 470 HA THR 54 HA THR 54 -9.436 1.853 -3.132 471 HB THR 54 HB THR 54 -10.718 -0.827 -3.517 472 HG1 THR 54 HG1 THR 54 -10.687 0.969 -5.554 473 HG21 THR 54 HG21 THR 54 -12.758 0.138 -4.481 474 HG22 THR 54 HG22 THR 54 -12.289 1.742 -3.887 475 HG23 THR 54 HG23 THR 54 -12.660 0.412 -2.760 476 H LEU 55 HN LEU 55 -10.864 3.094 -1.989 477 HA LEU 55 HA LEU 55 -11.868 2.017 0.643 478 HB2 LEU 55 HB2 LEU 55 -11.069 4.766 -0.268 479 HB3 LEU 55 HB3 LEU 55 -12.208 4.591 1.043 480 HG LEU 55 HG LEU 55 -9.965 5.019 1.818 481 HD11 LEU 55 HD11 LEU 55 -10.705 2.252 2.667 482 HD12 LEU 55 HD12 LEU 55 -11.477 3.747 3.277 483 HD13 LEU 55 HD13 LEU 55 -9.747 3.439 3.556 484 HD21 LEU 55 HD21 LEU 55 -9.097 2.279 0.884 485 HD22 LEU 55 HD22 LEU 55 -8.124 3.563 1.632 486 HD23 LEU 55 HD23 LEU 55 -8.787 3.778 0.001 487 H ARG 56 HN ARG 56 -14.001 2.800 1.307 488 HA ARG 56 HA ARG 56 -15.809 3.726 -0.856 489 HB2 ARG 56 HB2 ARG 56 -16.264 1.385 -0.652 490 HB3 ARG 56 HB3 ARG 56 -16.361 1.470 1.113 491 HG2 ARG 56 HG2 ARG 56 -18.490 2.394 1.122 492 HG3 ARG 56 HG3 ARG 56 -18.233 3.272 -0.368 493 HD2 ARG 56 HD2 ARG 56 -19.686 1.777 -1.186 494 HD3 ARG 56 HD3 ARG 56 -18.189 0.912 -1.488 495 HE ARG 56 HE ARG 56 -19.608 0.385 1.060 496 HH11 ARG 56 HH11 ARG 56 -19.013 -0.667 -2.299 497 HH12 ARG 56 HH12 ARG 56 -19.662 -2.235 -2.079 498 HH21 ARG 56 HH21 ARG 56 -20.610 -1.563 1.346 499 HH22 ARG 56 HH22 ARG 56 -20.844 -2.688 0.057 500 H GLU 57 HN GLU 57 -16.997 5.443 -0.244 501 HA GLU 57 HA GLU 57 -17.580 5.941 2.624 502 HB2 GLU 57 HB2 GLU 57 -16.117 7.698 1.890 503 HB3 GLU 57 HB3 GLU 57 -17.101 8.056 0.471 504 HG2 GLU 57 HG2 GLU 57 -18.203 8.166 3.321 505 HG3 GLU 57 HG3 GLU 57 -17.322 9.505 2.606 506 H GLY 58 HN GLY 58 -19.532 4.993 2.641 507 HA2 GLY 58 HA1 GLY 58 -21.628 4.286 2.037 508 HA3 GLY 58 HA2 GLY 58 -21.839 5.997 1.678 509 H SER 59 HN SER 59 -22.246 6.566 -0.323 510 HA SER 59 HA SER 59 -22.545 4.459 -2.357 511 HB2 SER 59 HB2 SER 59 -23.637 7.294 -2.223 512 HB3 SER 59 HB3 SER 59 -24.069 6.073 -3.426 513 HG SER 59 HG SER 59 -24.768 4.731 -1.660 514 H LYS 60 HN LYS 60 -19.799 5.658 -1.789 515 HA LYS 60 HA LYS 60 -19.143 5.992 -4.649 516 HB2 LYS 60 HB2 LYS 60 -19.004 8.215 -3.781 517 HB3 LYS 60 HB3 LYS 60 -18.279 7.673 -2.273 518 HG2 LYS 60 HG2 LYS 60 -16.286 7.319 -3.268 519 HG3 LYS 60 HG3 LYS 60 -16.882 7.350 -4.934 520 HD2 LYS 60 HD2 LYS 60 -15.513 9.345 -4.157 521 HD3 LYS 60 HD3 LYS 60 -17.088 9.703 -4.887 522 HE2 LYS 60 HE2 LYS 60 -18.095 10.217 -2.796 523 HE3 LYS 60 HE3 LYS 60 -16.784 9.450 -1.882 524 HZ1 LYS 60 HZ1 LYS 60 -16.254 11.822 -3.534 525 HZ2 LYS 60 HZ2 LYS 60 -15.368 11.160 -2.328 526 HZ3 LYS 60 HZ3 LYS 60 -16.766 11.897 -1.937 527 H GLU 61 HN GLU 61 -17.258 4.990 -5.189 528 HA GLU 61 HA GLU 61 -15.501 3.862 -3.085 529 HB2 GLU 61 HB2 GLU 61 -16.485 2.585 -5.637 530 HB3 GLU 61 HB3 GLU 61 -14.837 2.244 -5.105 531 HG2 GLU 61 HG2 GLU 61 -15.465 0.980 -3.338 532 HG3 GLU 61 HG3 GLU 61 -16.780 2.059 -2.917 533 H PHE 62 HN PHE 62 -13.349 4.047 -3.546 534 HA PHE 62 HA PHE 62 -12.406 5.599 -5.892 535 HB2 PHE 62 HB2 PHE 62 -11.399 7.364 -4.552 536 HB3 PHE 62 HB3 PHE 62 -13.142 7.398 -4.497 537 HD1 PHE 62 HD2 PHE 62 -14.351 6.581 -2.403 538 HD2 PHE 62 HD1 PHE 62 -10.114 7.290 -2.534 539 HE1 PHE 62 HE2 PHE 62 -14.346 6.920 0.067 540 HE2 PHE 62 HE1 PHE 62 -10.092 7.588 -0.074 541 HZ PHE 62 HZ PHE 62 -12.211 7.413 1.232 542 H GLY 63 HN GLY 63 -10.155 5.371 -6.245 543 HA2 GLY 63 HA1 GLY 63 -8.952 3.065 -4.855 544 HA3 GLY 63 HA2 GLY 63 -8.362 3.879 -6.309 545 H VAL 64 HN VAL 64 -7.157 3.268 -3.484 546 HA VAL 64 HA VAL 64 -5.736 5.893 -3.536 547 HB VAL 64 HB VAL 64 -5.464 5.841 -1.189 548 HG11 VAL 64 HG11 VAL 64 -8.392 5.197 -1.720 549 HG12 VAL 64 HG12 VAL 64 -7.738 6.106 -0.355 550 HG13 VAL 64 HG13 VAL 64 -7.618 6.752 -2.003 551 HG21 VAL 64 HG21 VAL 64 -6.357 4.179 0.308 552 HG22 VAL 64 HG22 VAL 64 -6.925 3.199 -1.066 553 HG23 VAL 64 HG23 VAL 64 -5.189 3.437 -0.780 554 H PHE 65 HN PHE 65 -3.502 5.831 -2.697 555 HA PHE 65 HA PHE 65 -2.127 3.233 -3.108 556 HB2 PHE 65 HB2 PHE 65 -1.319 5.870 -4.325 557 HB3 PHE 65 HB3 PHE 65 -0.251 4.467 -4.175 558 HD1 PHE 65 HD2 PHE 65 -1.113 2.209 -5.249 559 HD2 PHE 65 HD1 PHE 65 -2.786 6.088 -6.124 560 HE1 PHE 65 HE2 PHE 65 -2.172 1.322 -7.346 561 HE2 PHE 65 HE1 PHE 65 -3.809 5.194 -8.183 562 HZ PHE 65 HZ PHE 65 -3.547 2.801 -8.755 563 H VAL 66 HN VAL 66 0.008 3.184 -1.994 564 HA VAL 66 HA VAL 66 0.173 5.048 0.303 565 HB VAL 66 HB VAL 66 0.311 2.002 0.518 566 HG11 VAL 66 HG11 VAL 66 0.890 4.332 2.411 567 HG12 VAL 66 HG12 VAL 66 0.416 2.757 3.037 568 HG13 VAL 66 HG13 VAL 66 1.896 2.904 2.071 569 HG21 VAL 66 HG21 VAL 66 -2.031 2.834 0.409 570 HG22 VAL 66 HG22 VAL 66 -1.607 2.143 1.965 571 HG23 VAL 66 HG23 VAL 66 -1.704 3.900 1.774 572 H THR 67 HN THR 67 2.133 5.942 0.336 573 HA THR 67 HA THR 67 4.099 4.948 -1.586 574 HB THR 67 HB THR 67 3.942 7.632 -0.177 575 HG1 THR 67 HG1 THR 67 2.571 8.322 -1.627 576 HG21 THR 67 HG21 THR 67 5.122 6.744 -2.852 577 HG22 THR 67 HG22 THR 67 6.035 7.131 -1.384 578 HG23 THR 67 HG23 THR 67 5.128 8.403 -2.214 579 H ILE 68 HN ILE 68 5.765 3.756 -0.742 580 HA ILE 68 HA ILE 68 6.830 4.430 1.949 581 HB ILE 68 HB ILE 68 6.336 1.632 0.845 582 HG12 ILE 68 HG12 ILE 68 5.094 3.049 3.252 583 HG13 ILE 68 HG13 ILE 68 4.274 2.700 1.731 584 HG21 ILE 68 HG21 ILE 68 7.529 2.431 3.544 585 HG22 ILE 68 HG22 ILE 68 7.333 0.788 2.889 586 HG23 ILE 68 HG23 ILE 68 8.491 1.876 2.159 587 HD11 ILE 68 HD11 ILE 68 3.577 1.079 3.351 588 HD12 ILE 68 HD12 ILE 68 4.582 0.249 2.142 589 HD13 ILE 68 HD13 ILE 68 5.237 0.642 3.752 590 H SER 69 HN SER 69 8.888 5.066 1.702 591 HA SER 69 HA SER 69 10.588 3.799 -0.379 592 HB2 SER 69 HB2 SER 69 10.177 6.359 -0.561 593 HB3 SER 69 HB3 SER 69 11.107 6.479 0.938 594 HG SER 69 HG SER 69 12.523 6.730 -0.557 595 H PHE 70 HN PHE 70 12.051 2.491 0.581 596 HA PHE 70 HA PHE 70 13.053 3.129 3.259 597 HB2 PHE 70 HB2 PHE 70 12.824 0.899 4.080 598 HB3 PHE 70 HB3 PHE 70 11.245 1.489 3.659 599 HD1 PHE 70 HD2 PHE 70 10.387 0.743 1.193 600 HD2 PHE 70 HD1 PHE 70 13.690 -1.124 3.213 601 HE1 PHE 70 HE2 PHE 70 10.209 -1.215 -0.292 602 HE2 PHE 70 HE1 PHE 70 13.377 -3.173 1.840 603 HZ PHE 70 HZ PHE 70 11.622 -3.232 0.091 604 H ASP 71 HN ASP 71 14.901 1.501 3.658 605 HA ASP 71 HA ASP 71 16.712 1.627 1.316 606 HB2 ASP 71 HB2 ASP 71 17.267 3.013 3.225 607 HB3 ASP 71 HB3 ASP 71 16.961 1.651 4.309 608 HA PRO 72 HA PRO 72 16.907 -2.840 1.713 609 HB2 PRO 72 HB2 PRO 72 18.828 -3.456 -0.125 610 HB3 PRO 72 HB3 PRO 72 17.235 -2.787 -0.578 611 HG2 PRO 72 HG2 PRO 72 19.841 -1.274 -0.230 612 HG3 PRO 72 HG3 PRO 72 18.693 -1.204 -1.608 613 HD2 PRO 72 HD2 PRO 72 18.632 0.631 0.410 614 HD3 PRO 72 HD3 PRO 72 17.135 0.043 -0.376 615 H TYR 73 HN TYR 73 19.251 -0.857 3.115 616 HA TYR 73 HA TYR 73 21.356 -2.826 3.470 617 HB2 TYR 73 HB2 TYR 73 21.034 -0.289 5.110 618 HB3 TYR 73 HB3 TYR 73 22.350 -1.392 5.083 619 HD1 TYR 73 HD2 TYR 73 20.999 -0.438 1.724 620 HD2 TYR 73 HD1 TYR 73 23.752 0.617 4.860 621 HE1 TYR 73 HE2 TYR 73 22.510 0.508 0.048 622 HE2 TYR 73 HE1 TYR 73 25.138 1.844 3.221 623 HH TYR 73 HH TYR 73 25.185 2.621 0.991 624 H SER 74 HN SER 74 18.736 -1.397 5.480 625 HA SER 74 HA SER 74 18.370 -3.978 6.827 626 HB2 SER 74 HB2 SER 74 20.237 -2.246 7.890 627 HB3 SER 74 HB3 SER 74 18.805 -1.835 8.843 628 HG SER 74 HG SER 74 20.382 -3.769 9.337 629 H GLN 75 HN GLN 75 16.690 -2.098 5.171 630 HA GLN 75 HA GLN 75 14.576 -1.388 5.083 631 HB2 GLN 75 HB2 GLN 75 14.132 -2.956 7.656 632 HB3 GLN 75 HB3 GLN 75 12.892 -2.102 6.809 633 HG2 GLN 75 HG2 GLN 75 12.654 -4.271 6.050 634 HG3 GLN 75 HG3 GLN 75 13.450 -3.440 4.716 635 HE21 GLN 75 HE21 GLN 75 14.843 -4.951 3.745 636 HE22 GLN 75 HE22 GLN 75 15.856 -6.021 4.670 637 H LYS 76 HN LYS 76 16.451 0.472 5.778 638 HA LYS 76 HA LYS 76 15.527 1.946 8.100 639 HB2 LYS 76 HB2 LYS 76 17.892 1.885 6.534 640 HB3 LYS 76 HB3 LYS 76 17.139 3.392 6.049 641 HG2 LYS 76 HG2 LYS 76 17.109 3.059 8.982 642 HG3 LYS 76 HG3 LYS 76 18.709 2.815 8.358 643 HD2 LYS 76 HD2 LYS 76 17.153 5.263 7.474 644 HD3 LYS 76 HD3 LYS 76 18.042 5.235 9.015 645 HE2 LYS 76 HE2 LYS 76 20.117 4.648 7.906 646 HE3 LYS 76 HE3 LYS 76 19.308 4.487 6.346 647 HZ1 LYS 76 HZ1 LYS 76 18.880 6.866 6.410 648 HZ2 LYS 76 HZ2 LYS 76 20.454 6.495 6.420 649 HZ3 LYS 76 HZ3 LYS 76 19.758 7.032 7.811 650 H VAL 77 HN VAL 77 13.531 2.844 7.965 651 HA VAL 77 HA VAL 77 12.150 3.390 5.511 652 HB VAL 77 HB VAL 77 11.808 4.533 8.302 653 HG11 VAL 77 HG11 VAL 77 9.884 4.522 5.949 654 HG12 VAL 77 HG12 VAL 77 9.462 5.011 7.615 655 HG13 VAL 77 HG13 VAL 77 10.631 5.951 6.696 656 HG21 VAL 77 HG21 VAL 77 11.595 2.066 8.272 657 HG22 VAL 77 HG22 VAL 77 10.051 2.854 8.619 658 HG23 VAL 77 HG23 VAL 77 10.366 2.223 6.989 659 H ASN 78 HN ASN 78 12.256 5.183 4.203 660 HA ASN 78 HA ASN 78 14.245 7.294 4.942 661 HB2 ASN 78 HB2 ASN 78 13.216 6.421 2.209 662 HB3 ASN 78 HB3 ASN 78 14.366 7.718 2.515 663 HD21 ASN 78 HD21 ASN 78 14.559 4.848 1.157 664 HD22 ASN 78 HD22 ASN 78 15.903 4.146 2.039 665 H LYS 79 HN LYS 79 11.023 6.746 3.470 666 HA LYS 79 HA LYS 79 9.930 9.104 4.687 667 HB2 LYS 79 HB2 LYS 79 11.243 9.483 2.167 668 HB3 LYS 79 HB3 LYS 79 9.542 9.449 1.773 669 HG2 LYS 79 HG2 LYS 79 10.614 11.159 4.057 670 HG3 LYS 79 HG3 LYS 79 10.686 11.700 2.384 671 HD2 LYS 79 HD2 LYS 79 8.241 11.476 2.148 672 HD3 LYS 79 HD3 LYS 79 8.116 10.967 3.858 673 HE2 LYS 79 HE2 LYS 79 8.997 13.071 4.634 674 HE3 LYS 79 HE3 LYS 79 9.481 13.545 3.000 675 HZ1 LYS 79 HZ1 LYS 79 7.515 14.658 3.694 676 HZ2 LYS 79 HZ2 LYS 79 6.686 13.253 3.910 677 HZ3 LYS 79 HZ3 LYS 79 7.179 13.696 2.393 678 H ILE 80 HN ILE 80 7.651 8.884 4.696 679 HA ILE 80 HA ILE 80 6.434 6.814 2.980 680 HB ILE 80 HB ILE 80 6.047 7.096 5.992 681 HG12 ILE 80 HG12 ILE 80 7.095 4.784 4.291 682 HG13 ILE 80 HG13 ILE 80 8.036 5.795 5.385 683 HG21 ILE 80 HG21 ILE 80 4.346 5.352 5.844 684 HG22 ILE 80 HG22 ILE 80 3.866 6.677 4.816 685 HG23 ILE 80 HG23 ILE 80 4.573 5.231 4.085 686 HD11 ILE 80 HD11 ILE 80 7.635 3.694 6.476 687 HD12 ILE 80 HD12 ILE 80 6.678 4.938 7.311 688 HD13 ILE 80 HD13 ILE 80 5.900 3.788 6.191 689 H ALA 81 HN ALA 81 4.302 7.387 2.349 690 HA ALA 81 HA ALA 81 2.987 9.708 3.458 691 HB1 ALA 81 HB1 ALA 81 2.845 10.910 1.278 692 HB2 ALA 81 HB2 ALA 81 4.511 10.825 1.867 693 HB3 ALA 81 HB3 ALA 81 3.982 9.749 0.563 694 H ILE 82 HN ILE 82 0.937 10.051 1.915 695 HA ILE 82 HA ILE 82 -0.179 7.403 1.152 696 HB ILE 82 HB ILE 82 -1.385 9.635 2.808 697 HG12 ILE 82 HG12 ILE 82 -0.050 7.846 3.950 698 HG13 ILE 82 HG13 ILE 82 -1.705 7.974 4.481 699 HG21 ILE 82 HG21 ILE 82 -3.513 8.226 2.773 700 HG22 ILE 82 HG22 ILE 82 -3.159 9.152 1.302 701 HG23 ILE 82 HG23 ILE 82 -2.831 7.417 1.359 702 HD11 ILE 82 HD11 ILE 82 -0.603 5.652 4.079 703 HD12 ILE 82 HD12 ILE 82 -2.315 5.873 3.607 704 HD13 ILE 82 HD13 ILE 82 -1.008 5.906 2.393 705 H LEU 83 HN LEU 83 -1.840 7.618 -0.624 706 HA LEU 83 HA LEU 83 -1.901 10.193 -2.019 707 HB2 LEU 83 HB2 LEU 83 0.050 8.832 -2.917 708 HB3 LEU 83 HB3 LEU 83 -1.066 7.581 -3.317 709 HG LEU 83 HG LEU 83 -1.895 10.178 -4.382 710 HD11 LEU 83 HD11 LEU 83 0.734 9.081 -5.422 711 HD12 LEU 83 HD12 LEU 83 0.580 10.554 -4.454 712 HD13 LEU 83 HD13 LEU 83 -0.150 10.467 -6.073 713 HD21 LEU 83 HD21 LEU 83 -2.838 8.066 -5.174 714 HD22 LEU 83 HD22 LEU 83 -1.246 7.668 -5.906 715 HD23 LEU 83 HD23 LEU 83 -2.181 9.062 -6.470 716 H GLU 84 HN GLU 84 -3.798 10.284 -3.389 717 HA GLU 84 HA GLU 84 -5.836 8.168 -3.016 718 HB2 GLU 84 HB2 GLU 84 -5.897 10.646 -1.712 719 HB3 GLU 84 HB3 GLU 84 -6.748 10.984 -3.225 720 HG2 GLU 84 HG2 GLU 84 -8.195 8.916 -2.695 721 HG3 GLU 84 HG3 GLU 84 -7.397 8.885 -1.130 722 H GLU 85 HN GLU 85 -6.944 7.780 -4.991 723 HA GLU 85 HA GLU 85 -5.798 9.076 -7.373 724 HB2 GLU 85 HB2 GLU 85 -5.989 6.657 -7.434 725 HB3 GLU 85 HB3 GLU 85 -7.715 6.723 -7.052 726 HG2 GLU 85 HG2 GLU 85 -8.317 7.586 -9.120 727 HG3 GLU 85 HG3 GLU 85 -6.672 8.146 -9.504 728 H TYR 86 HN TYR 86 -7.234 10.002 -8.961 729 HA TYR 86 HA TYR 86 -9.856 10.925 -8.273 730 HB2 TYR 86 HB2 TYR 86 -9.248 13.344 -8.526 731 HB3 TYR 86 HB3 TYR 86 -8.575 12.635 -7.070 732 HD1 TYR 86 HD1 TYR 86 -6.133 12.111 -6.922 733 HD2 TYR 86 HD2 TYR 86 -7.827 14.178 -10.324 734 HE1 TYR 86 HE1 TYR 86 -3.872 12.597 -7.735 735 HE2 TYR 86 HE2 TYR 86 -5.563 14.719 -11.117 736 HH TYR 86 HH TYR 86 -2.659 13.231 -9.592 737 H GLN 87 HN GLN 87 -10.502 12.375 -10.216 738 HA GLN 87 HA GLN 87 -9.578 10.982 -12.682 739 HB2 GLN 87 HB2 GLN 87 -12.420 11.749 -11.859 740 HB3 GLN 87 HB3 GLN 87 -11.912 11.033 -13.382 741 HG2 GLN 87 HG2 GLN 87 -12.645 9.157 -12.276 742 HG3 GLN 87 HG3 GLN 87 -10.913 9.100 -11.975 743 HE21 GLN 87 HE21 GLN 87 -11.119 7.787 -10.082 744 HE22 GLN 87 HE22 GLN 87 -11.776 8.456 -8.597 Start of MODEL 28 1 H1 GLY 1 HN GLY 1 -17.720 -12.441 4.437 2 HA2 GLY 1 HA1 GLY 1 -17.713 -14.905 4.554 3 HA3 GLY 1 HA2 GLY 1 -17.708 -14.912 2.787 4 H GLU 2 HN GLU 2 -15.777 -14.237 1.669 5 HA GLU 2 HA GLU 2 -13.228 -14.811 2.844 6 HB2 GLU 2 HB2 GLU 2 -14.375 -14.172 0.264 7 HB3 GLU 2 HB3 GLU 2 -13.196 -12.933 0.582 8 HG2 GLU 2 HG2 GLU 2 -11.770 -14.417 -0.399 9 HG3 GLU 2 HG3 GLU 2 -11.664 -15.090 1.228 10 H GLU 3 HN GLU 3 -11.359 -13.060 3.089 11 HA GLU 3 HA GLU 3 -12.443 -10.594 4.285 12 HB2 GLU 3 HB2 GLU 3 -9.523 -11.139 3.693 13 HB3 GLU 3 HB3 GLU 3 -10.240 -9.943 4.761 14 HG2 GLU 3 HG2 GLU 3 -11.155 -11.793 6.184 15 HG3 GLU 3 HG3 GLU 3 -10.271 -12.952 5.170 16 H THR 4 HN THR 4 -11.027 -11.692 1.220 17 HA THR 4 HA THR 4 -11.392 -9.018 -0.007 18 HB THR 4 HB THR 4 -9.004 -9.805 -1.044 19 HG1 THR 4 HG1 THR 4 -7.901 -11.081 0.201 20 HG21 THR 4 HG21 THR 4 -9.554 -7.652 0.115 21 HG22 THR 4 HG22 THR 4 -7.920 -8.256 0.394 22 HG23 THR 4 HG23 THR 4 -9.172 -8.423 1.657 23 HA PRO 5 HA PRO 5 -12.570 -11.671 -3.430 24 HB2 PRO 5 HB2 PRO 5 -12.350 -10.078 -5.603 25 HB3 PRO 5 HB3 PRO 5 -13.455 -9.672 -4.269 26 HG2 PRO 5 HG2 PRO 5 -10.637 -8.638 -4.721 27 HG3 PRO 5 HG3 PRO 5 -12.131 -7.684 -4.413 28 HD2 PRO 5 HD2 PRO 5 -10.361 -8.370 -2.420 29 HD3 PRO 5 HD3 PRO 5 -12.131 -8.237 -2.133 30 H LEU 6 HN LEU 6 -9.373 -11.276 -2.768 31 HA LEU 6 HA LEU 6 -8.293 -12.172 -5.403 32 HB2 LEU 6 HB2 LEU 6 -6.917 -10.944 -2.993 33 HB3 LEU 6 HB3 LEU 6 -6.117 -11.509 -4.445 34 HG LEU 6 HG LEU 6 -8.081 -9.202 -4.407 35 HD11 LEU 6 HD11 LEU 6 -6.050 -8.699 -3.072 36 HD12 LEU 6 HD12 LEU 6 -6.077 -7.768 -4.593 37 HD13 LEU 6 HD13 LEU 6 -5.038 -9.182 -4.451 38 HD21 LEU 6 HD21 LEU 6 -7.919 -10.239 -6.606 39 HD22 LEU 6 HD22 LEU 6 -6.136 -10.246 -6.515 40 HD23 LEU 6 HD23 LEU 6 -7.018 -8.725 -6.652 41 H VAL 7 HN VAL 7 -9.367 -14.319 -4.750 42 HA VAL 7 HA VAL 7 -8.498 -15.819 -2.568 43 HB VAL 7 HB VAL 7 -10.331 -16.393 -4.114 44 HG11 VAL 7 HG11 VAL 7 -8.198 -17.498 -6.004 45 HG12 VAL 7 HG12 VAL 7 -9.954 -17.529 -6.217 46 HG13 VAL 7 HG13 VAL 7 -9.101 -15.995 -6.281 47 HG21 VAL 7 HG21 VAL 7 -10.060 -18.828 -4.004 48 HG22 VAL 7 HG22 VAL 7 -8.332 -18.645 -3.692 49 HG23 VAL 7 HG23 VAL 7 -9.524 -18.047 -2.521 50 H THR 8 HN THR 8 -6.625 -14.929 -5.349 51 HA THR 8 HA THR 8 -4.292 -16.183 -4.016 52 HB THR 8 HB THR 8 -4.595 -15.546 -6.968 53 HG1 THR 8 HG1 THR 8 -5.191 -17.674 -5.699 54 HG21 THR 8 HG21 THR 8 -2.243 -16.340 -7.144 55 HG22 THR 8 HG22 THR 8 -2.145 -16.427 -5.362 56 HG23 THR 8 HG23 THR 8 -2.369 -14.860 -6.182 57 H ALA 9 HN ALA 9 -3.955 -14.503 -2.618 58 HA ALA 9 HA ALA 9 -2.152 -12.762 -3.891 59 HB1 ALA 9 HB1 ALA 9 -2.915 -10.595 -2.871 60 HB2 ALA 9 HB2 ALA 9 -3.861 -11.182 -4.243 61 HB3 ALA 9 HB3 ALA 9 -4.489 -11.357 -2.575 62 H ARG 10 HN ARG 10 -0.786 -14.003 -2.627 63 HA ARG 10 HA ARG 10 -1.048 -13.789 0.342 64 HB2 ARG 10 HB2 ARG 10 -1.421 -16.064 -1.113 65 HB3 ARG 10 HB3 ARG 10 0.318 -16.125 -0.915 66 HG2 ARG 10 HG2 ARG 10 -0.705 -17.452 0.773 67 HG3 ARG 10 HG3 ARG 10 0.019 -16.055 1.569 68 HD2 ARG 10 HD2 ARG 10 -1.979 -15.291 2.308 69 HD3 ARG 10 HD3 ARG 10 -2.797 -15.600 0.772 70 HE ARG 10 HE ARG 10 -2.296 -18.057 2.193 71 HH11 ARG 10 HH11 ARG 10 -4.406 -15.204 2.308 72 HH12 ARG 10 HH12 ARG 10 -5.831 -16.107 2.757 73 HH21 ARG 10 HH21 ARG 10 -4.208 -19.234 3.040 74 HH22 ARG 10 HH22 ARG 10 -5.508 -18.267 3.614 75 H HIS 11 HN HIS 11 0.708 -12.282 -1.922 76 HA HIS 11 HA HIS 11 3.436 -12.789 -1.016 77 HB2 HIS 11 HB2 HIS 11 2.128 -10.609 -2.679 78 HB3 HIS 11 HB3 HIS 11 3.736 -10.428 -2.028 79 HD1 HIS 11 HD1 HIS 11 5.665 -11.220 -3.459 80 HD2 HIS 11 HD2 HIS 11 1.929 -12.874 -4.487 81 HE1 HIS 11 HE1 HIS 11 6.025 -12.479 -5.643 82 H MET 12 HN MET 12 3.307 -12.739 1.224 83 HA MET 12 HA MET 12 2.631 -10.161 2.525 84 HB2 MET 12 HB2 MET 12 2.295 -13.003 3.197 85 HB3 MET 12 HB3 MET 12 3.061 -12.083 4.501 86 HG2 MET 12 HG2 MET 12 0.645 -12.136 4.721 87 HG3 MET 12 HG3 MET 12 1.217 -10.508 4.499 88 HE1 MET 12 HE1 MET 12 -0.533 -9.070 3.650 89 HE2 MET 12 HE2 MET 12 0.795 -9.021 2.477 90 HE3 MET 12 HE3 MET 12 -0.896 -9.044 1.918 91 H SER 13 HN SER 13 4.206 -8.872 3.139 92 HA SER 13 HA SER 13 7.004 -9.794 3.327 93 HB2 SER 13 HB2 SER 13 5.805 -8.714 1.001 94 HB3 SER 13 HB3 SER 13 6.600 -7.325 1.776 95 HG SER 13 HG SER 13 7.677 -9.584 0.577 96 H LYS 14 HN LYS 14 8.353 -7.954 4.176 97 HA LYS 14 HA LYS 14 7.429 -7.118 6.623 98 HB2 LYS 14 HB2 LYS 14 9.826 -7.084 5.931 99 HB3 LYS 14 HB3 LYS 14 9.506 -5.677 4.912 100 HG2 LYS 14 HG2 LYS 14 10.510 -4.842 6.895 101 HG3 LYS 14 HG3 LYS 14 8.814 -4.418 7.015 102 HD2 LYS 14 HD2 LYS 14 8.571 -6.616 8.444 103 HD3 LYS 14 HD3 LYS 14 10.350 -6.586 8.487 104 HE2 LYS 14 HE2 LYS 14 10.044 -4.110 9.279 105 HE3 LYS 14 HE3 LYS 14 8.353 -4.559 9.572 106 HZ1 LYS 14 HZ1 LYS 14 10.779 -5.646 10.844 107 HZ2 LYS 14 HZ2 LYS 14 9.312 -6.420 10.966 108 HZ3 LYS 14 HZ3 LYS 14 9.493 -4.923 11.574 109 H TRP 15 HN TRP 15 7.297 -5.129 3.665 110 HA TRP 15 HA TRP 15 6.084 -2.907 5.045 111 HB2 TRP 15 HB2 TRP 15 6.430 -3.326 2.065 112 HB3 TRP 15 HB3 TRP 15 6.235 -1.808 2.917 113 HD1 TRP 15 HD1 TRP 15 8.844 -4.318 1.904 114 HE1 TRP 15 HE1 TRP 15 11.184 -3.650 2.745 115 HE3 TRP 15 HE3 TRP 15 7.546 -0.404 4.972 116 HZ2 TRP 15 HZ2 TRP 15 12.258 -1.877 4.738 117 HZ3 TRP 15 HZ3 TRP 15 9.280 0.728 6.348 118 HH2 TRP 15 HH2 TRP 15 11.638 -0.053 6.256 119 H GLU 16 HN GLU 16 4.616 -5.789 4.344 120 HA GLU 16 HA GLU 16 2.295 -4.892 2.927 121 HB2 GLU 16 HB2 GLU 16 1.521 -7.063 3.047 122 HB3 GLU 16 HB3 GLU 16 3.239 -7.217 2.954 123 HG2 GLU 16 HG2 GLU 16 2.787 -8.811 4.488 124 HG3 GLU 16 HG3 GLU 16 3.200 -7.488 5.559 125 H GLU 17 HN GLU 17 2.741 -5.814 6.367 126 HA GLU 17 HA GLU 17 0.152 -5.034 7.049 127 HB2 GLU 17 HB2 GLU 17 2.715 -5.313 8.663 128 HB3 GLU 17 HB3 GLU 17 1.296 -4.590 9.416 129 HG2 GLU 17 HG2 GLU 17 -0.068 -6.592 8.713 130 HG3 GLU 17 HG3 GLU 17 1.481 -7.348 8.216 131 H ILE 18 HN ILE 18 3.058 -3.027 6.820 132 HA ILE 18 HA ILE 18 1.983 -0.680 8.079 133 HB ILE 18 HB ILE 18 4.052 -0.924 5.842 134 HG12 ILE 18 HG12 ILE 18 4.467 -0.531 8.844 135 HG13 ILE 18 HG13 ILE 18 4.556 -2.105 8.060 136 HG21 ILE 18 HG21 ILE 18 4.734 1.382 6.537 137 HG22 ILE 18 HG22 ILE 18 3.077 1.368 5.968 138 HG23 ILE 18 HG23 ILE 18 3.389 1.428 7.696 139 HD11 ILE 18 HD11 ILE 18 6.786 -1.220 8.407 140 HD12 ILE 18 HD12 ILE 18 6.429 -1.408 6.687 141 HD13 ILE 18 HD13 ILE 18 6.415 0.211 7.435 142 H ALA 19 HN ALA 19 1.988 -1.792 4.630 143 HA ALA 19 HA ALA 19 0.444 0.417 3.733 144 HB1 ALA 19 HB1 ALA 19 0.743 -2.365 2.509 145 HB2 ALA 19 HB2 ALA 19 0.186 -0.901 1.667 146 HB3 ALA 19 HB3 ALA 19 1.859 -1.006 2.253 147 H VAL 20 HN VAL 20 -0.642 -2.972 4.505 148 HA VAL 20 HA VAL 20 -3.353 -2.442 3.904 149 HB VAL 20 HB VAL 20 -2.116 -4.419 5.886 150 HG11 VAL 20 HG11 VAL 20 -4.536 -4.183 6.307 151 HG12 VAL 20 HG12 VAL 20 -4.881 -4.465 4.591 152 HG13 VAL 20 HG13 VAL 20 -4.178 -5.757 5.594 153 HG21 VAL 20 HG21 VAL 20 -2.298 -6.084 4.100 154 HG22 VAL 20 HG22 VAL 20 -2.946 -4.859 2.981 155 HG23 VAL 20 HG23 VAL 20 -1.273 -4.764 3.574 156 H LYS 21 HN LYS 21 -1.569 -2.084 7.017 157 HA LYS 21 HA LYS 21 -3.927 -1.381 8.513 158 HB2 LYS 21 HB2 LYS 21 -0.985 -0.797 9.041 159 HB3 LYS 21 HB3 LYS 21 -2.284 -0.456 10.171 160 HG2 LYS 21 HG2 LYS 21 -2.805 -2.821 10.440 161 HG3 LYS 21 HG3 LYS 21 -1.791 -3.276 9.097 162 HD2 LYS 21 HD2 LYS 21 -0.404 -3.824 10.768 163 HD3 LYS 21 HD3 LYS 21 0.110 -2.147 10.636 164 HE2 LYS 21 HE2 LYS 21 -1.787 -3.442 12.640 165 HE3 LYS 21 HE3 LYS 21 -0.213 -2.713 12.965 166 HZ1 LYS 21 HZ1 LYS 21 -2.705 -1.292 12.252 167 HZ2 LYS 21 HZ2 LYS 21 -1.229 -0.565 12.293 168 HZ3 LYS 21 HZ3 LYS 21 -1.888 -1.193 13.666 169 H GLU 22 HN GLU 22 -1.322 0.665 6.977 170 HA GLU 22 HA GLU 22 -2.452 3.066 7.846 171 HB2 GLU 22 HB2 GLU 22 -0.662 2.480 5.495 172 HB3 GLU 22 HB3 GLU 22 -1.301 4.094 5.889 173 HG2 GLU 22 HG2 GLU 22 -0.457 3.833 8.235 174 HG3 GLU 22 HG3 GLU 22 0.456 2.423 7.714 175 H ALA 23 HN ALA 23 -3.110 1.301 4.786 176 HA ALA 23 HA ALA 23 -4.903 3.232 3.742 177 HB1 ALA 23 HB1 ALA 23 -4.779 0.237 3.290 178 HB2 ALA 23 HB2 ALA 23 -5.605 1.421 2.253 179 HB3 ALA 23 HB3 ALA 23 -3.835 1.478 2.415 180 H LYS 24 HN LYS 24 -5.489 0.998 6.391 181 HA LYS 24 HA LYS 24 -8.425 1.596 6.152 182 HB2 LYS 24 HB2 LYS 24 -8.942 0.009 7.658 183 HB3 LYS 24 HB3 LYS 24 -7.855 -0.705 6.468 184 HG2 LYS 24 HG2 LYS 24 -6.090 -0.930 8.004 185 HG3 LYS 24 HG3 LYS 24 -6.804 0.265 9.097 186 HD2 LYS 24 HD2 LYS 24 -7.067 -1.906 10.090 187 HD3 LYS 24 HD3 LYS 24 -8.650 -1.249 9.604 188 HE2 LYS 24 HE2 LYS 24 -8.759 -2.703 7.676 189 HE3 LYS 24 HE3 LYS 24 -7.107 -3.269 7.930 190 HZ1 LYS 24 HZ1 LYS 24 -8.949 -4.749 8.759 191 HZ2 LYS 24 HZ2 LYS 24 -9.195 -3.666 9.982 192 HZ3 LYS 24 HZ3 LYS 24 -7.766 -4.421 9.859 193 H LYS 25 HN LYS 25 -5.526 2.277 8.221 194 HA LYS 25 HA LYS 25 -7.275 3.345 10.313 195 HB2 LYS 25 HB2 LYS 25 -5.245 4.166 11.421 196 HB3 LYS 25 HB3 LYS 25 -5.239 2.433 11.122 197 HG2 LYS 25 HG2 LYS 25 -3.399 2.517 9.853 198 HG3 LYS 25 HG3 LYS 25 -3.887 3.990 9.007 199 HD2 LYS 25 HD2 LYS 25 -2.679 3.961 11.796 200 HD3 LYS 25 HD3 LYS 25 -1.759 4.109 10.286 201 HE2 LYS 25 HE2 LYS 25 -3.420 6.103 9.762 202 HE3 LYS 25 HE3 LYS 25 -3.700 6.074 11.505 203 HZ1 LYS 25 HZ1 LYS 25 -1.168 6.169 11.647 204 HZ2 LYS 25 HZ2 LYS 25 -1.959 7.562 11.194 205 HZ3 LYS 25 HZ3 LYS 25 -1.197 6.636 10.073 206 H ARG 26 HN ARG 26 -5.339 4.751 7.717 207 HA ARG 26 HA ARG 26 -5.546 7.508 8.475 208 HB2 ARG 26 HB2 ARG 26 -3.908 6.271 6.893 209 HB3 ARG 26 HB3 ARG 26 -5.185 6.358 5.701 210 HG2 ARG 26 HG2 ARG 26 -4.026 8.203 5.129 211 HG3 ARG 26 HG3 ARG 26 -5.091 8.982 6.278 212 HD2 ARG 26 HD2 ARG 26 -3.350 8.876 8.011 213 HD3 ARG 26 HD3 ARG 26 -2.307 7.922 6.922 214 HE ARG 26 HE ARG 26 -3.242 10.490 5.881 215 HH11 ARG 26 HH11 ARG 26 -0.519 8.866 7.604 216 HH12 ARG 26 HH12 ARG 26 0.563 10.184 7.264 217 HH21 ARG 26 HH21 ARG 26 -1.714 12.067 5.351 218 HH22 ARG 26 HH22 ARG 26 -0.067 11.960 5.844 219 H TYR 27 HN TYR 27 -8.164 5.542 7.780 220 HA TYR 27 HA TYR 27 -9.640 7.507 6.152 221 HB2 TYR 27 HB2 TYR 27 -9.268 4.530 5.653 222 HB3 TYR 27 HB3 TYR 27 -10.536 5.527 4.939 223 HD1 TYR 27 HD1 TYR 27 -6.903 4.843 4.969 224 HD2 TYR 27 HD2 TYR 27 -10.061 7.197 3.206 225 HE1 TYR 27 HE1 TYR 27 -5.311 5.707 3.262 226 HE2 TYR 27 HE2 TYR 27 -8.513 8.019 1.510 227 HH TYR 27 HH TYR 27 -6.346 7.724 0.566 228 HA PRO 28 HA PRO 28 -12.147 6.089 9.700 229 HB2 PRO 28 HB2 PRO 28 -12.853 8.564 10.644 230 HB3 PRO 28 HB3 PRO 28 -11.318 7.740 11.060 231 HG2 PRO 28 HG2 PRO 28 -11.733 9.995 9.125 232 HG3 PRO 28 HG3 PRO 28 -10.331 9.625 10.167 233 HD2 PRO 28 HD2 PRO 28 -10.524 9.055 7.458 234 HD3 PRO 28 HD3 PRO 28 -9.360 8.362 8.641 235 H LEU 29 HN LEU 29 -12.653 8.076 6.868 236 HA LEU 29 HA LEU 29 -15.629 7.930 7.174 237 HB2 LEU 29 HB2 LEU 29 -13.762 9.537 5.404 238 HB3 LEU 29 HB3 LEU 29 -15.458 9.349 5.010 239 HG LEU 29 HG LEU 29 -16.191 10.385 7.046 240 HD11 LEU 29 HD11 LEU 29 -14.572 11.540 8.560 241 HD12 LEU 29 HD12 LEU 29 -13.258 10.647 7.754 242 HD13 LEU 29 HD13 LEU 29 -14.520 9.792 8.689 243 HD21 LEU 29 HD21 LEU 29 -13.922 12.008 5.773 244 HD22 LEU 29 HD22 LEU 29 -15.383 12.655 6.554 245 HD23 LEU 29 HD23 LEU 29 -15.523 11.749 5.058 246 H ALA 30 HN ALA 30 -13.278 5.872 5.978 247 HA ALA 30 HA ALA 30 -15.059 4.779 3.922 248 HB1 ALA 30 HB1 ALA 30 -13.249 4.664 2.288 249 HB2 ALA 30 HB2 ALA 30 -13.447 6.351 2.776 250 HB3 ALA 30 HB3 ALA 30 -12.112 5.396 3.413 251 H GLN 31 HN GLN 31 -14.269 2.618 3.308 252 HA GLN 31 HA GLN 31 -12.928 1.216 5.589 253 HB2 GLN 31 HB2 GLN 31 -14.539 -0.502 5.420 254 HB3 GLN 31 HB3 GLN 31 -15.408 1.026 5.217 255 HG2 GLN 31 HG2 GLN 31 -15.105 0.692 2.711 256 HG3 GLN 31 HG3 GLN 31 -14.606 -0.961 3.061 257 HE21 GLN 31 HE21 GLN 31 -17.068 0.933 4.617 258 HE22 GLN 31 HE22 GLN 31 -18.505 0.048 4.080 259 H VAL 32 HN VAL 32 -11.697 -0.573 5.042 260 HA VAL 32 HA VAL 32 -10.518 -0.438 2.281 261 HB VAL 32 HB VAL 32 -9.141 -0.310 4.396 262 HG11 VAL 32 HG11 VAL 32 -9.680 -3.306 4.551 263 HG12 VAL 32 HG12 VAL 32 -8.383 -2.476 5.383 264 HG13 VAL 32 HG13 VAL 32 -10.072 -2.061 5.757 265 HG21 VAL 32 HG21 VAL 32 -7.274 -1.512 3.443 266 HG22 VAL 32 HG22 VAL 32 -8.361 -2.406 2.353 267 HG23 VAL 32 HG23 VAL 32 -8.206 -0.641 2.240 268 H LEU 33 HN LEU 33 -10.974 -2.024 0.709 269 HA LEU 33 HA LEU 33 -12.226 -4.541 1.519 270 HB2 LEU 33 HB2 LEU 33 -12.335 -3.012 -1.100 271 HB3 LEU 33 HB3 LEU 33 -13.328 -4.370 -0.597 272 HG LEU 33 HG LEU 33 -13.968 -2.734 1.438 273 HD11 LEU 33 HD11 LEU 33 -12.468 -0.848 0.566 274 HD12 LEU 33 HD12 LEU 33 -14.153 -0.435 0.723 275 HD13 LEU 33 HD13 LEU 33 -13.456 -0.799 -0.879 276 HD21 LEU 33 HD21 LEU 33 -15.522 -3.665 -0.215 277 HD22 LEU 33 HD22 LEU 33 -15.011 -2.402 -1.359 278 HD23 LEU 33 HD23 LEU 33 -15.881 -1.947 0.118 279 H PHE 34 HN PHE 34 -9.151 -3.661 0.582 280 HA PHE 34 HA PHE 34 -8.794 -6.039 -1.182 281 HB2 PHE 34 HB2 PHE 34 -8.838 -3.250 -1.947 282 HB3 PHE 34 HB3 PHE 34 -7.257 -3.924 -2.276 283 HD1 PHE 34 HD2 PHE 34 -10.886 -4.149 -3.065 284 HD2 PHE 34 HD1 PHE 34 -6.953 -5.736 -3.874 285 HE1 PHE 34 HE2 PHE 34 -11.738 -5.235 -5.105 286 HE2 PHE 34 HE1 PHE 34 -7.833 -6.839 -5.926 287 HZ PHE 34 HZ PHE 34 -10.202 -6.592 -6.534 288 H LYS 35 HN LYS 35 -6.446 -6.384 -1.741 289 HA LYS 35 HA LYS 35 -4.385 -5.473 0.125 290 HB2 LYS 35 HB2 LYS 35 -5.143 -8.411 -0.007 291 HB3 LYS 35 HB3 LYS 35 -3.682 -7.755 0.734 292 HG2 LYS 35 HG2 LYS 35 -5.089 -6.462 2.345 293 HG3 LYS 35 HG3 LYS 35 -6.516 -7.215 1.657 294 HD2 LYS 35 HD2 LYS 35 -5.129 -9.458 2.189 295 HD3 LYS 35 HD3 LYS 35 -4.407 -8.368 3.402 296 HE2 LYS 35 HE2 LYS 35 -6.714 -7.797 4.192 297 HE3 LYS 35 HE3 LYS 35 -7.403 -8.914 2.997 298 HZ1 LYS 35 HZ1 LYS 35 -5.657 -9.673 5.235 299 HZ2 LYS 35 HZ2 LYS 35 -6.408 -10.747 4.194 300 HZ3 LYS 35 HZ3 LYS 35 -7.274 -9.827 5.223 301 H GLN 36 HN GLN 36 -4.403 -4.736 -2.553 302 HA GLN 36 HA GLN 36 -3.426 -6.957 -4.210 303 HB2 GLN 36 HB2 GLN 36 -5.170 -4.886 -4.749 304 HB3 GLN 36 HB3 GLN 36 -3.669 -4.151 -5.249 305 HG2 GLN 36 HG2 GLN 36 -3.731 -6.825 -6.337 306 HG3 GLN 36 HG3 GLN 36 -5.309 -6.110 -6.614 307 HE21 GLN 36 HE21 GLN 36 -5.462 -4.169 -7.930 308 HE22 GLN 36 HE22 GLN 36 -4.100 -3.708 -8.957 309 H LYS 37 HN LYS 37 -1.366 -6.674 -5.452 310 HA LYS 37 HA LYS 37 0.660 -5.317 -3.842 311 HB2 LYS 37 HB2 LYS 37 0.906 -6.759 -6.518 312 HB3 LYS 37 HB3 LYS 37 2.251 -6.136 -5.594 313 HG2 LYS 37 HG2 LYS 37 1.577 -7.677 -3.674 314 HG3 LYS 37 HG3 LYS 37 0.398 -8.385 -4.786 315 HD2 LYS 37 HD2 LYS 37 2.097 -9.831 -5.151 316 HD3 LYS 37 HD3 LYS 37 2.513 -8.669 -6.384 317 HE2 LYS 37 HE2 LYS 37 3.752 -8.917 -3.594 318 HE3 LYS 37 HE3 LYS 37 4.472 -9.463 -5.108 319 HZ1 LYS 37 HZ1 LYS 37 4.552 -7.130 -5.803 320 HZ2 LYS 37 HZ2 LYS 37 5.449 -7.422 -4.467 321 HZ3 LYS 37 HZ3 LYS 37 3.994 -6.661 -4.307 322 H VAL 38 HN VAL 38 2.395 -4.143 -5.410 323 HA VAL 38 HA VAL 38 1.203 -2.772 -7.643 324 HB VAL 38 HB VAL 38 0.899 -1.291 -5.539 325 HG11 VAL 38 HG11 VAL 38 3.752 -0.424 -6.017 326 HG12 VAL 38 HG12 VAL 38 2.655 -0.011 -4.693 327 HG13 VAL 38 HG13 VAL 38 3.348 -1.643 -4.799 328 HG21 VAL 38 HG21 VAL 38 0.586 -0.556 -7.879 329 HG22 VAL 38 HG22 VAL 38 1.110 0.722 -6.777 330 HG23 VAL 38 HG23 VAL 38 2.270 0.012 -7.905 331 H TRP 39 HN TRP 39 3.368 -1.336 -8.533 332 HA TRP 39 HA TRP 39 5.336 -3.158 -9.363 333 HB2 TRP 39 HB2 TRP 39 4.766 -1.002 -10.436 334 HB3 TRP 39 HB3 TRP 39 5.404 -0.149 -9.046 335 HD1 TRP 39 HD1 TRP 39 6.770 -2.560 -11.777 336 HE1 TRP 39 HE1 TRP 39 9.113 -1.773 -12.457 337 HE3 TRP 39 HE3 TRP 39 7.379 1.294 -8.442 338 HZ2 TRP 39 HZ2 TRP 39 10.823 0.466 -11.938 339 HZ3 TRP 39 HZ3 TRP 39 9.414 2.706 -8.558 340 HH2 TRP 39 HH2 TRP 39 11.084 2.356 -10.328 341 H ASP 40 HN ASP 40 7.722 -2.974 -8.865 342 HA ASP 40 HA ASP 40 8.459 -2.412 -6.081 343 HB2 ASP 40 HB2 ASP 40 7.709 -4.663 -5.718 344 HB3 ASP 40 HB3 ASP 40 8.279 -5.194 -7.298 345 H ARG 41 HN ARG 41 10.558 -1.643 -6.147 346 HA ARG 41 HA ARG 41 12.416 -2.715 -8.121 347 HB2 ARG 41 HB2 ARG 41 11.019 -0.757 -9.150 348 HB3 ARG 41 HB3 ARG 41 11.967 0.298 -8.139 349 HG2 ARG 41 HG2 ARG 41 13.831 -1.415 -9.470 350 HG3 ARG 41 HG3 ARG 41 12.589 -1.046 -10.663 351 HD2 ARG 41 HD2 ARG 41 12.982 1.321 -10.461 352 HD3 ARG 41 HD3 ARG 41 14.059 1.094 -9.066 353 HE ARG 41 HE ARG 41 15.270 -0.414 -10.973 354 HH11 ARG 41 HH11 ARG 41 14.466 3.017 -10.721 355 HH12 ARG 41 HH12 ARG 41 15.774 3.529 -11.738 356 HH21 ARG 41 HH21 ARG 41 16.755 0.146 -12.478 357 HH22 ARG 41 HH22 ARG 41 17.062 1.805 -12.876 358 H LYS 42 HN LYS 42 14.635 -1.420 -7.773 359 HA LYS 42 HA LYS 42 14.749 0.139 -5.413 360 HB2 LYS 42 HB2 LYS 42 16.802 -0.862 -4.488 361 HB3 LYS 42 HB3 LYS 42 15.397 -1.858 -4.245 362 HG2 LYS 42 HG2 LYS 42 17.371 -2.334 -6.527 363 HG3 LYS 42 HG3 LYS 42 17.675 -2.914 -4.899 364 HD2 LYS 42 HD2 LYS 42 15.326 -3.741 -6.637 365 HD3 LYS 42 HD3 LYS 42 16.775 -4.681 -6.285 366 HE2 LYS 42 HE2 LYS 42 16.160 -4.491 -3.806 367 HE3 LYS 42 HE3 LYS 42 14.591 -3.849 -4.325 368 HZ1 LYS 42 HZ1 LYS 42 14.504 -6.226 -3.948 369 HZ2 LYS 42 HZ2 LYS 42 15.724 -6.486 -5.007 370 HZ3 LYS 42 HZ3 LYS 42 14.258 -5.941 -5.551 371 H ARG 43 HN ARG 43 16.728 1.335 -5.350 372 HA ARG 43 HA ARG 43 17.803 2.004 -8.048 373 HB2 ARG 43 HB2 ARG 43 17.059 3.668 -5.604 374 HB3 ARG 43 HB3 ARG 43 18.110 4.297 -6.856 375 HG2 ARG 43 HG2 ARG 43 15.567 3.143 -7.880 376 HG3 ARG 43 HG3 ARG 43 15.380 4.549 -6.837 377 HD2 ARG 43 HD2 ARG 43 17.336 4.547 -9.160 378 HD3 ARG 43 HD3 ARG 43 15.627 4.961 -9.349 379 HE ARG 43 HE ARG 43 17.111 6.401 -7.244 380 HH11 ARG 43 HH11 ARG 43 15.785 6.528 -10.513 381 HH12 ARG 43 HH12 ARG 43 15.589 8.253 -10.531 382 HH21 ARG 43 HH21 ARG 43 16.908 8.687 -7.259 383 HH22 ARG 43 HH22 ARG 43 16.256 9.492 -8.642 384 H LYS 44 HN LYS 44 19.917 3.599 -7.081 385 HA LYS 44 HA LYS 44 21.826 1.567 -6.400 386 HB2 LYS 44 HB2 LYS 44 22.001 4.609 -6.364 387 HB3 LYS 44 HB3 LYS 44 23.382 3.524 -6.223 388 HG2 LYS 44 HG2 LYS 44 21.515 3.653 -8.655 389 HG3 LYS 44 HG3 LYS 44 23.082 4.441 -8.521 390 HD2 LYS 44 HD2 LYS 44 24.147 2.188 -8.150 391 HD3 LYS 44 HD3 LYS 44 22.575 1.443 -8.498 392 HE2 LYS 44 HE2 LYS 44 22.532 2.402 -10.732 393 HE3 LYS 44 HE3 LYS 44 23.998 3.347 -10.394 394 HZ1 LYS 44 HZ1 LYS 44 25.220 1.283 -10.173 395 HZ2 LYS 44 HZ2 LYS 44 24.488 1.355 -11.655 396 HZ3 LYS 44 HZ3 LYS 44 23.875 0.393 -10.494 397 H ASP 45 HN ASP 45 19.929 3.813 -4.361 398 HA ASP 45 HA ASP 45 21.035 2.706 -1.898 399 HB2 ASP 45 HB2 ASP 45 21.553 4.945 -1.272 400 HB3 ASP 45 HB3 ASP 45 22.392 4.627 -2.780 401 H GLU 46 HN GLU 46 18.331 2.499 -3.275 402 HA GLU 46 HA GLU 46 16.592 3.541 -1.183 403 HB2 GLU 46 HB2 GLU 46 17.015 4.939 -3.745 404 HB3 GLU 46 HB3 GLU 46 15.336 4.412 -3.583 405 HG2 GLU 46 HG2 GLU 46 14.985 5.635 -1.614 406 HG3 GLU 46 HG3 GLU 46 16.710 5.904 -1.339 407 H ALA 47 HN ALA 47 14.448 2.522 -1.415 408 HA ALA 47 HA ALA 47 14.058 0.642 -3.618 409 HB1 ALA 47 HB1 ALA 47 14.106 -0.174 -0.691 410 HB2 ALA 47 HB2 ALA 47 13.534 -1.198 -2.041 411 HB3 ALA 47 HB3 ALA 47 15.241 -0.712 -1.944 412 H VAL 48 HN VAL 48 11.882 0.159 -3.976 413 HA VAL 48 HA VAL 48 9.864 1.473 -2.304 414 HB VAL 48 HB VAL 48 8.815 2.449 -4.352 415 HG11 VAL 48 HG11 VAL 48 11.541 3.637 -3.682 416 HG12 VAL 48 HG12 VAL 48 10.140 4.487 -4.353 417 HG13 VAL 48 HG13 VAL 48 10.067 3.828 -2.709 418 HG21 VAL 48 HG21 VAL 48 10.074 1.193 -6.112 419 HG22 VAL 48 HG22 VAL 48 10.125 2.939 -6.322 420 HG23 VAL 48 HG23 VAL 48 11.546 2.099 -5.676 421 H LYS 49 HN LYS 49 8.125 0.296 -2.162 422 HA LYS 49 HA LYS 49 6.960 -1.463 -4.041 423 HB2 LYS 49 HB2 LYS 49 7.276 -3.524 -2.459 424 HB3 LYS 49 HB3 LYS 49 8.475 -3.183 -3.699 425 HG2 LYS 49 HG2 LYS 49 10.098 -2.507 -2.156 426 HG3 LYS 49 HG3 LYS 49 8.903 -2.064 -0.938 427 HD2 LYS 49 HD2 LYS 49 10.028 -3.880 -0.075 428 HD3 LYS 49 HD3 LYS 49 8.416 -4.454 -0.514 429 HE2 LYS 49 HE2 LYS 49 10.961 -4.860 -2.169 430 HE3 LYS 49 HE3 LYS 49 10.307 -6.020 -1.022 431 HZ1 LYS 49 HZ1 LYS 49 9.173 -5.188 -3.558 432 HZ2 LYS 49 HZ2 LYS 49 8.234 -5.947 -2.377 433 HZ3 LYS 49 HZ3 LYS 49 9.524 -6.704 -3.020 434 H GLN 50 HN GLN 50 4.863 -1.054 -3.436 435 HA GLN 50 HA GLN 50 4.244 -1.128 -0.523 436 HB2 GLN 50 HB2 GLN 50 2.955 0.786 -2.491 437 HB3 GLN 50 HB3 GLN 50 2.683 0.670 -0.751 438 HG2 GLN 50 HG2 GLN 50 4.079 2.419 -0.670 439 HG3 GLN 50 HG3 GLN 50 5.309 1.177 -0.644 440 HE21 GLN 50 HE21 GLN 50 7.040 2.349 -1.750 441 HE22 GLN 50 HE22 GLN 50 6.764 2.915 -3.393 442 H TYR 51 HN TYR 51 1.498 -0.882 -0.834 443 HA TYR 51 HA TYR 51 0.659 -3.004 -2.695 444 HB2 TYR 51 HB2 TYR 51 -0.173 -2.655 0.212 445 HB3 TYR 51 HB3 TYR 51 -1.054 -3.630 -0.924 446 HD1 TYR 51 HD1 TYR 51 2.285 -3.239 0.722 447 HD2 TYR 51 HD2 TYR 51 -0.337 -5.883 -1.449 448 HE1 TYR 51 HE1 TYR 51 3.869 -5.089 1.085 449 HE2 TYR 51 HE2 TYR 51 1.177 -7.779 -0.989 450 HH TYR 51 HH TYR 51 3.053 -8.470 0.155 451 H HIS 52 HN HIS 52 -1.636 -2.653 -3.251 452 HA HIS 52 HA HIS 52 -2.486 0.192 -3.189 453 HB2 HIS 52 HB2 HIS 52 -1.640 -0.355 -5.421 454 HB3 HIS 52 HB3 HIS 52 -2.574 -1.868 -5.430 455 HD1 HIS 52 HD1 HIS 52 -4.390 -1.454 -7.264 456 HD2 HIS 52 HD2 HIS 52 -3.841 1.762 -4.582 457 HE1 HIS 52 HE1 HIS 52 -6.154 0.286 -7.820 458 H LEU 53 HN LEU 53 -4.392 0.313 -2.085 459 HA LEU 53 HA LEU 53 -6.019 -2.140 -1.772 460 HB2 LEU 53 HB2 LEU 53 -5.503 0.126 0.139 461 HB3 LEU 53 HB3 LEU 53 -6.411 -1.336 0.483 462 HG LEU 53 HG LEU 53 -4.455 -1.302 1.698 463 HD11 LEU 53 HD11 LEU 53 -4.035 -3.262 -0.550 464 HD12 LEU 53 HD12 LEU 53 -4.792 -3.521 1.046 465 HD13 LEU 53 HD13 LEU 53 -3.062 -3.247 0.941 466 HD21 LEU 53 HD21 LEU 53 -3.267 0.390 0.304 467 HD22 LEU 53 HD22 LEU 53 -2.593 -0.981 -0.606 468 HD23 LEU 53 HD23 LEU 53 -2.279 -0.834 1.129 469 H THR 54 HN THR 54 -8.102 -1.798 -2.535 470 HA THR 54 HA THR 54 -9.089 0.846 -3.267 471 HB THR 54 HB THR 54 -10.153 -1.986 -3.354 472 HG1 THR 54 HG1 THR 54 -10.085 -0.219 -5.504 473 HG21 THR 54 HG21 THR 54 -12.133 -1.101 -4.601 474 HG22 THR 54 HG22 THR 54 -11.723 0.527 -4.011 475 HG23 THR 54 HG23 THR 54 -12.153 -0.759 -2.869 476 H LEU 55 HN LEU 55 -10.227 2.093 -2.051 477 HA LEU 55 HA LEU 55 -11.476 1.050 0.447 478 HB2 LEU 55 HB2 LEU 55 -10.586 3.844 -0.285 479 HB3 LEU 55 HB3 LEU 55 -11.827 3.611 0.934 480 HG LEU 55 HG LEU 55 -9.689 1.747 1.448 481 HD11 LEU 55 HD11 LEU 55 -8.851 4.676 1.408 482 HD12 LEU 55 HD12 LEU 55 -8.340 3.471 0.236 483 HD13 LEU 55 HD13 LEU 55 -7.852 3.315 1.944 484 HD21 LEU 55 HD21 LEU 55 -11.409 2.879 3.078 485 HD22 LEU 55 HD22 LEU 55 -10.080 3.981 3.304 486 HD23 LEU 55 HD23 LEU 55 -9.829 2.227 3.580 487 H ARG 56 HN ARG 56 -13.618 1.929 1.026 488 HA ARG 56 HA ARG 56 -15.246 2.838 -1.280 489 HB2 ARG 56 HB2 ARG 56 -15.791 0.438 -0.799 490 HB3 ARG 56 HB3 ARG 56 -16.117 0.869 0.877 491 HG2 ARG 56 HG2 ARG 56 -18.253 0.794 -0.034 492 HG3 ARG 56 HG3 ARG 56 -17.901 2.504 -0.051 493 HD2 ARG 56 HD2 ARG 56 -18.590 2.286 -2.234 494 HD3 ARG 56 HD3 ARG 56 -16.873 1.906 -2.436 495 HE ARG 56 HE ARG 56 -17.297 -0.370 -2.680 496 HH11 ARG 56 HH11 ARG 56 -20.340 1.331 -2.118 497 HH12 ARG 56 HH12 ARG 56 -21.247 0.374 -3.249 498 HH21 ARG 56 HH21 ARG 56 -18.420 -1.672 -4.057 499 HH22 ARG 56 HH22 ARG 56 -20.135 -1.563 -4.266 500 H GLU 57 HN GLU 57 -16.360 4.692 -0.766 501 HA GLU 57 HA GLU 57 -16.805 5.420 2.067 502 HB2 GLU 57 HB2 GLU 57 -14.993 6.821 1.337 503 HB3 GLU 57 HB3 GLU 57 -15.789 7.201 -0.166 504 HG2 GLU 57 HG2 GLU 57 -17.239 7.875 2.404 505 HG3 GLU 57 HG3 GLU 57 -15.800 8.820 2.005 506 H GLY 58 HN GLY 58 -18.913 5.106 2.208 507 HA2 GLY 58 HA1 GLY 58 -21.092 4.742 1.707 508 HA3 GLY 58 HA2 GLY 58 -20.982 6.274 0.812 509 H SER 59 HN SER 59 -20.922 6.240 -1.439 510 HA SER 59 HA SER 59 -21.453 3.590 -2.704 511 HB2 SER 59 HB2 SER 59 -22.300 6.320 -3.695 512 HB3 SER 59 HB3 SER 59 -22.807 4.728 -4.278 513 HG SER 59 HG SER 59 -23.587 4.490 -1.938 514 H LYS 60 HN LYS 60 -19.023 6.023 -2.492 515 HA LYS 60 HA LYS 60 -18.047 5.533 -5.255 516 HB2 LYS 60 HB2 LYS 60 -17.970 7.813 -4.574 517 HB3 LYS 60 HB3 LYS 60 -17.207 7.408 -3.024 518 HG2 LYS 60 HG2 LYS 60 -15.121 7.007 -3.976 519 HG3 LYS 60 HG3 LYS 60 -15.767 6.707 -5.583 520 HD2 LYS 60 HD2 LYS 60 -14.496 8.824 -5.367 521 HD3 LYS 60 HD3 LYS 60 -16.139 9.044 -5.990 522 HE2 LYS 60 HE2 LYS 60 -16.891 10.121 -4.089 523 HE3 LYS 60 HE3 LYS 60 -15.807 9.231 -3.028 524 HZ1 LYS 60 HZ1 LYS 60 -15.050 11.531 -4.734 525 HZ2 LYS 60 HZ2 LYS 60 -13.981 10.622 -3.834 526 HZ3 LYS 60 HZ3 LYS 60 -15.172 11.467 -3.106 527 H GLU 61 HN GLU 61 -16.178 4.432 -5.617 528 HA GLU 61 HA GLU 61 -14.797 3.012 -3.457 529 HB2 GLU 61 HB2 GLU 61 -16.744 1.771 -4.669 530 HB3 GLU 61 HB3 GLU 61 -15.652 1.696 -6.066 531 HG2 GLU 61 HG2 GLU 61 -14.123 0.296 -4.832 532 HG3 GLU 61 HG3 GLU 61 -14.914 0.651 -3.300 533 H PHE 62 HN PHE 62 -12.621 3.186 -3.783 534 HA PHE 62 HA PHE 62 -11.528 4.345 -6.268 535 HB2 PHE 62 HB2 PHE 62 -10.681 6.291 -5.035 536 HB3 PHE 62 HB3 PHE 62 -12.426 6.286 -5.113 537 HD1 PHE 62 HD2 PHE 62 -13.728 5.419 -3.026 538 HD2 PHE 62 HD1 PHE 62 -9.579 6.590 -2.900 539 HE1 PHE 62 HE2 PHE 62 -13.923 5.822 -0.626 540 HE2 PHE 62 HE1 PHE 62 -9.797 7.030 -0.470 541 HZ PHE 62 HZ PHE 62 -11.947 6.654 0.691 542 H GLY 63 HN GLY 63 -9.176 4.310 -6.214 543 HA2 GLY 63 HA1 GLY 63 -8.091 2.264 -4.333 544 HA3 GLY 63 HA2 GLY 63 -7.325 2.912 -5.759 545 H VAL 64 HN VAL 64 -6.367 2.767 -2.819 546 HA VAL 64 HA VAL 64 -5.219 5.472 -3.138 547 HB VAL 64 HB VAL 64 -5.074 5.823 -0.846 548 HG11 VAL 64 HG11 VAL 64 -7.920 4.928 -1.446 549 HG12 VAL 64 HG12 VAL 64 -7.444 6.024 -0.155 550 HG13 VAL 64 HG13 VAL 64 -7.207 6.491 -1.843 551 HG21 VAL 64 HG21 VAL 64 -4.596 3.725 0.115 552 HG22 VAL 64 HG22 VAL 64 -6.031 4.399 0.892 553 HG23 VAL 64 HG23 VAL 64 -6.197 3.099 -0.327 554 H PHE 65 HN PHE 65 -3.058 5.553 -3.196 555 HA PHE 65 HA PHE 65 -1.657 2.924 -3.235 556 HB2 PHE 65 HB2 PHE 65 -0.972 5.605 -4.500 557 HB3 PHE 65 HB3 PHE 65 0.055 4.203 -4.532 558 HD1 PHE 65 HD1 PHE 65 -0.636 2.185 -5.868 559 HD2 PHE 65 HD2 PHE 65 -3.029 5.773 -5.808 560 HE1 PHE 65 HE1 PHE 65 -1.843 1.433 -7.928 561 HE2 PHE 65 HE2 PHE 65 -4.207 5.024 -7.856 562 HZ PHE 65 HZ PHE 65 -3.624 2.862 -8.903 563 H VAL 66 HN VAL 66 -1.069 2.615 -1.142 564 HA VAL 66 HA VAL 66 -0.005 4.537 0.687 565 HB VAL 66 HB VAL 66 0.625 1.594 0.202 566 HG11 VAL 66 HG11 VAL 66 2.467 2.677 1.464 567 HG12 VAL 66 HG12 VAL 66 1.302 3.226 2.687 568 HG13 VAL 66 HG13 VAL 66 1.617 1.495 2.415 569 HG21 VAL 66 HG21 VAL 66 -0.917 1.137 2.023 570 HG22 VAL 66 HG22 VAL 66 -1.164 2.858 2.324 571 HG23 VAL 66 HG23 VAL 66 -1.758 2.114 0.834 572 H THR 67 HN THR 67 2.100 5.475 0.848 573 HA THR 67 HA THR 67 3.972 4.937 -1.397 574 HB THR 67 HB THR 67 3.565 7.550 0.101 575 HG1 THR 67 HG1 THR 67 2.395 8.236 -1.714 576 HG21 THR 67 HG21 THR 67 5.704 7.316 -1.078 577 HG22 THR 67 HG22 THR 67 4.676 8.496 -1.912 578 HG23 THR 67 HG23 THR 67 4.857 6.866 -2.576 579 H ILE 68 HN ILE 68 5.809 3.964 -0.566 580 HA ILE 68 HA ILE 68 6.772 4.758 2.119 581 HB ILE 68 HB ILE 68 6.512 1.902 1.098 582 HG12 ILE 68 HG12 ILE 68 5.482 2.999 3.740 583 HG13 ILE 68 HG13 ILE 68 4.504 2.938 2.290 584 HG21 ILE 68 HG21 ILE 68 7.745 1.174 3.098 585 HG22 ILE 68 HG22 ILE 68 8.756 2.249 2.159 586 HG23 ILE 68 HG23 ILE 68 7.952 2.852 3.624 587 HD11 ILE 68 HD11 ILE 68 5.671 0.547 3.751 588 HD12 ILE 68 HD12 ILE 68 3.972 1.002 3.590 589 HD13 ILE 68 HD13 ILE 68 4.874 0.450 2.164 590 H SER 69 HN SER 69 8.939 5.188 1.982 591 HA SER 69 HA SER 69 10.451 4.252 -0.396 592 HB2 SER 69 HB2 SER 69 11.081 6.845 1.032 593 HB3 SER 69 HB3 SER 69 11.547 6.294 -0.578 594 HG SER 69 HG SER 69 9.274 6.564 -1.165 595 H PHE 70 HN PHE 70 12.147 2.964 0.347 596 HA PHE 70 HA PHE 70 13.163 3.445 3.051 597 HB2 PHE 70 HB2 PHE 70 12.920 1.231 3.831 598 HB3 PHE 70 HB3 PHE 70 11.339 1.713 3.291 599 HD1 PHE 70 HD2 PHE 70 10.738 0.994 0.789 600 HD2 PHE 70 HD1 PHE 70 13.960 -0.752 3.051 601 HE1 PHE 70 HE2 PHE 70 10.748 -0.921 -0.712 602 HE2 PHE 70 HE1 PHE 70 13.900 -2.759 1.585 603 HZ PHE 70 HZ PHE 70 12.281 -2.869 -0.296 604 H ASP 71 HN ASP 71 14.978 1.577 3.237 605 HA ASP 71 HA ASP 71 16.731 2.137 0.901 606 HB2 ASP 71 HB2 ASP 71 16.938 3.288 3.196 607 HB3 ASP 71 HB3 ASP 71 17.457 1.711 3.815 608 HA PRO 72 HA PRO 72 17.252 -2.332 0.934 609 HB2 PRO 72 HB2 PRO 72 19.153 -2.628 -0.960 610 HB3 PRO 72 HB3 PRO 72 17.514 -2.050 -1.353 611 HG2 PRO 72 HG2 PRO 72 19.996 -0.375 -0.884 612 HG3 PRO 72 HG3 PRO 72 18.846 -0.289 -2.266 613 HD2 PRO 72 HD2 PRO 72 18.643 1.367 -0.130 614 HD3 PRO 72 HD3 PRO 72 17.190 0.708 -0.929 615 H TYR 73 HN TYR 73 19.760 -0.132 2.016 616 HA TYR 73 HA TYR 73 21.918 -1.924 2.386 617 HB2 TYR 73 HB2 TYR 73 21.129 0.613 3.871 618 HB3 TYR 73 HB3 TYR 73 22.528 -0.332 4.285 619 HD1 TYR 73 HD1 TYR 73 21.445 0.500 0.738 620 HD2 TYR 73 HD2 TYR 73 24.205 1.255 3.968 621 HE1 TYR 73 HE1 TYR 73 22.850 1.862 -0.772 622 HE2 TYR 73 HE2 TYR 73 25.596 2.628 2.463 623 HH TYR 73 HH TYR 73 25.480 3.865 0.280 624 H SER 74 HN SER 74 19.335 -0.897 4.691 625 HA SER 74 HA SER 74 19.428 -3.515 6.022 626 HB2 SER 74 HB2 SER 74 21.268 -1.698 6.864 627 HB3 SER 74 HB3 SER 74 19.895 -1.187 7.854 628 HG SER 74 HG SER 74 21.144 -2.745 8.881 629 H GLN 75 HN GLN 75 17.392 -1.653 4.610 630 HA GLN 75 HA GLN 75 15.330 -0.813 4.854 631 HB2 GLN 75 HB2 GLN 75 15.095 -2.843 7.106 632 HB3 GLN 75 HB3 GLN 75 13.793 -1.829 6.544 633 HG2 GLN 75 HG2 GLN 75 13.444 -3.827 5.437 634 HG3 GLN 75 HG3 GLN 75 14.148 -2.772 4.214 635 HE21 GLN 75 HE21 GLN 75 15.702 -3.723 2.937 636 HE22 GLN 75 HE22 GLN 75 16.495 -5.210 3.394 637 H LYS 76 HN LYS 76 16.881 1.050 5.436 638 HA LYS 76 HA LYS 76 15.877 2.412 7.883 639 HB2 LYS 76 HB2 LYS 76 17.860 3.008 5.694 640 HB3 LYS 76 HB3 LYS 76 16.838 4.350 6.151 641 HG2 LYS 76 HG2 LYS 76 17.992 2.761 8.405 642 HG3 LYS 76 HG3 LYS 76 19.150 3.710 7.458 643 HD2 LYS 76 HD2 LYS 76 17.906 5.750 7.859 644 HD3 LYS 76 HD3 LYS 76 16.604 4.826 8.636 645 HE2 LYS 76 HE2 LYS 76 18.847 4.075 10.108 646 HE3 LYS 76 HE3 LYS 76 19.207 5.755 9.708 647 HZ1 LYS 76 HZ1 LYS 76 17.047 6.375 10.701 648 HZ2 LYS 76 HZ2 LYS 76 18.021 5.636 11.761 649 HZ3 LYS 76 HZ3 LYS 76 16.765 4.818 11.101 650 H VAL 77 HN VAL 77 13.865 3.224 7.803 651 HA VAL 77 HA VAL 77 12.294 3.323 5.320 652 HB VAL 77 HB VAL 77 11.766 4.650 8.006 653 HG11 VAL 77 HG11 VAL 77 9.863 3.860 5.762 654 HG12 VAL 77 HG12 VAL 77 9.436 4.662 7.296 655 HG13 VAL 77 HG13 VAL 77 10.429 5.507 6.115 656 HG21 VAL 77 HG21 VAL 77 11.965 2.274 8.495 657 HG22 VAL 77 HG22 VAL 77 10.254 2.724 8.524 658 HG23 VAL 77 HG23 VAL 77 10.929 1.887 7.114 659 H ASN 78 HN ASN 78 12.441 5.128 3.992 660 HA ASN 78 HA ASN 78 14.225 7.331 4.867 661 HB2 ASN 78 HB2 ASN 78 13.368 6.463 2.094 662 HB3 ASN 78 HB3 ASN 78 14.262 7.939 2.461 663 HD21 ASN 78 HD21 ASN 78 15.185 5.380 0.934 664 HD22 ASN 78 HD22 ASN 78 16.600 4.905 1.835 665 H LYS 79 HN LYS 79 10.981 6.728 3.345 666 HA LYS 79 HA LYS 79 9.846 8.638 5.193 667 HB2 LYS 79 HB2 LYS 79 10.222 9.381 2.283 668 HB3 LYS 79 HB3 LYS 79 8.658 9.722 2.998 669 HG2 LYS 79 HG2 LYS 79 10.150 10.771 4.982 670 HG3 LYS 79 HG3 LYS 79 11.312 10.937 3.654 671 HD2 LYS 79 HD2 LYS 79 9.497 12.080 2.315 672 HD3 LYS 79 HD3 LYS 79 8.431 11.913 3.736 673 HE2 LYS 79 HE2 LYS 79 10.300 13.187 5.026 674 HE3 LYS 79 HE3 LYS 79 10.920 13.607 3.419 675 HZ1 LYS 79 HZ1 LYS 79 9.472 15.324 4.003 676 HZ2 LYS 79 HZ2 LYS 79 8.309 14.313 4.599 677 HZ3 LYS 79 HZ3 LYS 79 8.541 14.372 2.994 678 H ILE 80 HN ILE 80 7.401 8.821 4.841 679 HA ILE 80 HA ILE 80 6.235 6.700 3.218 680 HB ILE 80 HB ILE 80 5.586 7.041 6.174 681 HG12 ILE 80 HG12 ILE 80 6.907 4.684 4.768 682 HG13 ILE 80 HG13 ILE 80 7.693 5.801 5.882 683 HG21 ILE 80 HG21 ILE 80 4.045 5.144 5.844 684 HG22 ILE 80 HG22 ILE 80 3.564 6.486 4.856 685 HG23 ILE 80 HG23 ILE 80 4.411 5.103 4.128 686 HD11 ILE 80 HD11 ILE 80 7.253 3.811 7.088 687 HD12 ILE 80 HD12 ILE 80 6.162 5.079 7.698 688 HD13 ILE 80 HD13 ILE 80 5.558 3.791 6.621 689 H ALA 81 HN ALA 81 4.095 7.267 2.572 690 HA ALA 81 HA ALA 81 2.678 9.502 3.667 691 HB1 ALA 81 HB1 ALA 81 4.106 10.725 2.038 692 HB2 ALA 81 HB2 ALA 81 3.558 9.654 0.737 693 HB3 ALA 81 HB3 ALA 81 2.413 10.744 1.542 694 H ILE 82 HN ILE 82 0.556 9.675 2.043 695 HA ILE 82 HA ILE 82 -0.321 6.963 1.230 696 HB ILE 82 HB ILE 82 -1.638 8.888 3.152 697 HG12 ILE 82 HG12 ILE 82 -0.086 7.046 4.008 698 HG13 ILE 82 HG13 ILE 82 -1.687 7.134 4.679 699 HG21 ILE 82 HG21 ILE 82 -3.390 8.393 1.602 700 HG22 ILE 82 HG22 ILE 82 -2.985 6.673 1.556 701 HG23 ILE 82 HG23 ILE 82 -3.659 7.400 3.030 702 HD11 ILE 82 HD11 ILE 82 -1.251 5.231 2.404 703 HD12 ILE 82 HD12 ILE 82 -0.639 4.823 4.009 704 HD13 ILE 82 HD13 ILE 82 -2.376 5.107 3.790 705 H LEU 83 HN LEU 83 -0.924 7.237 -0.970 706 HA LEU 83 HA LEU 83 -1.663 9.953 -1.911 707 HB2 LEU 83 HB2 LEU 83 0.163 8.594 -3.053 708 HB3 LEU 83 HB3 LEU 83 -1.039 7.420 -3.465 709 HG LEU 83 HG LEU 83 -0.253 9.123 -5.178 710 HD11 LEU 83 HD11 LEU 83 -1.893 7.648 -5.838 711 HD12 LEU 83 HD12 LEU 83 -2.484 9.238 -6.308 712 HD13 LEU 83 HD13 LEU 83 -3.170 8.438 -4.890 713 HD21 LEU 83 HD21 LEU 83 -1.309 11.242 -5.360 714 HD22 LEU 83 HD22 LEU 83 -0.655 11.151 -3.720 715 HD23 LEU 83 HD23 LEU 83 -2.405 10.914 -4.016 716 H GLU 84 HN GLU 84 -3.729 10.240 -2.798 717 HA GLU 84 HA GLU 84 -5.691 8.056 -2.414 718 HB2 GLU 84 HB2 GLU 84 -5.631 10.496 -1.064 719 HB3 GLU 84 HB3 GLU 84 -6.594 10.897 -2.489 720 HG2 GLU 84 HG2 GLU 84 -8.116 8.941 -1.892 721 HG3 GLU 84 HG3 GLU 84 -7.146 8.703 -0.467 722 H GLU 85 HN GLU 85 -6.999 7.670 -4.220 723 HA GLU 85 HA GLU 85 -6.276 8.902 -6.766 724 HB2 GLU 85 HB2 GLU 85 -6.808 6.502 -6.611 725 HB3 GLU 85 HB3 GLU 85 -8.410 6.890 -5.905 726 HG2 GLU 85 HG2 GLU 85 -9.131 7.917 -7.971 727 HG3 GLU 85 HG3 GLU 85 -7.529 7.726 -8.685 728 H TYR 86 HN TYR 86 -7.779 10.144 -8.039 729 HA TYR 86 HA TYR 86 -10.345 10.882 -7.009 730 HB2 TYR 86 HB2 TYR 86 -9.919 13.316 -7.180 731 HB3 TYR 86 HB3 TYR 86 -8.970 12.587 -5.900 732 HD1 TYR 86 HD2 TYR 86 -6.478 12.028 -6.364 733 HD2 TYR 86 HD1 TYR 86 -8.849 14.569 -8.923 734 HE1 TYR 86 HE2 TYR 86 -4.422 12.874 -7.424 735 HE2 TYR 86 HE1 TYR 86 -6.794 15.528 -9.886 736 HH TYR 86 HH TYR 86 -4.382 15.741 -9.414 737 H GLN 87 HN GLN 87 -11.554 12.058 -8.728 738 HA GLN 87 HA GLN 87 -10.448 11.635 -11.446 739 HB2 GLN 87 HB2 GLN 87 -13.359 11.125 -10.747 740 HB3 GLN 87 HB3 GLN 87 -12.520 10.829 -12.267 741 HG2 GLN 87 HG2 GLN 87 -12.254 9.298 -9.679 742 HG3 GLN 87 HG3 GLN 87 -13.041 8.763 -11.163 743 HE21 GLN 87 HE21 GLN 87 -10.863 7.564 -9.602 744 HE22 GLN 87 HE22 GLN 87 -9.538 7.295 -10.708 Start of MODEL 29 1 H1 GLY 1 HN GLY 1 -17.589 -7.570 2.342 2 HA2 GLY 1 HA1 GLY 1 -15.125 -5.909 2.346 3 HA3 GLY 1 HA2 GLY 1 -15.875 -6.605 3.789 4 H GLU 2 HN GLU 2 -14.032 -7.342 0.840 5 HA GLU 2 HA GLU 2 -13.211 -9.975 1.934 6 HB2 GLU 2 HB2 GLU 2 -12.977 -8.540 -0.751 7 HB3 GLU 2 HB3 GLU 2 -12.057 -9.992 -0.365 8 HG2 GLU 2 HG2 GLU 2 -13.869 -11.391 -0.637 9 HG3 GLU 2 HG3 GLU 2 -15.018 -10.204 -0.046 10 H GLU 3 HN GLU 3 -11.611 -9.368 3.485 11 HA GLU 3 HA GLU 3 -10.174 -6.904 3.226 12 HB2 GLU 3 HB2 GLU 3 -9.770 -9.350 4.975 13 HB3 GLU 3 HB3 GLU 3 -8.826 -7.872 5.130 14 HG2 GLU 3 HG2 GLU 3 -11.024 -6.607 5.365 15 HG3 GLU 3 HG3 GLU 3 -11.822 -8.174 5.549 16 H THR 4 HN THR 4 -9.868 -8.910 0.902 17 HA THR 4 HA THR 4 -7.077 -8.666 0.380 18 HB THR 4 HB THR 4 -7.534 -11.443 0.057 19 HG1 THR 4 HG1 THR 4 -9.057 -11.199 1.854 20 HG21 THR 4 HG21 THR 4 -5.334 -10.435 0.442 21 HG22 THR 4 HG22 THR 4 -5.647 -11.656 1.680 22 HG23 THR 4 HG23 THR 4 -5.892 -9.935 2.063 23 HA PRO 5 HA PRO 5 -8.990 -8.636 -3.548 24 HB2 PRO 5 HB2 PRO 5 -6.979 -8.913 -5.330 25 HB3 PRO 5 HB3 PRO 5 -6.984 -7.577 -4.148 26 HG2 PRO 5 HG2 PRO 5 -5.539 -10.234 -3.936 27 HG3 PRO 5 HG3 PRO 5 -4.867 -8.599 -3.716 28 HD2 PRO 5 HD2 PRO 5 -5.748 -10.177 -1.643 29 HD3 PRO 5 HD3 PRO 5 -5.853 -8.393 -1.581 30 H LEU 6 HN LEU 6 -7.808 -11.706 -2.485 31 HA LEU 6 HA LEU 6 -9.065 -12.962 -4.795 32 HB2 LEU 6 HB2 LEU 6 -7.360 -14.774 -3.403 33 HB3 LEU 6 HB3 LEU 6 -7.547 -14.414 -5.087 34 HG LEU 6 HG LEU 6 -5.873 -12.517 -3.445 35 HD11 LEU 6 HD11 LEU 6 -4.894 -15.220 -4.444 36 HD12 LEU 6 HD12 LEU 6 -5.151 -14.759 -2.746 37 HD13 LEU 6 HD13 LEU 6 -3.933 -13.914 -3.709 38 HD21 LEU 6 HD21 LEU 6 -6.220 -11.988 -5.780 39 HD22 LEU 6 HD22 LEU 6 -5.529 -13.557 -6.263 40 HD23 LEU 6 HD23 LEU 6 -4.533 -12.347 -5.437 41 H VAL 7 HN VAL 7 -10.596 -11.933 -2.744 42 HA VAL 7 HA VAL 7 -11.732 -12.298 -0.883 43 HB VAL 7 HB VAL 7 -11.816 -15.279 -1.519 44 HG11 VAL 7 HG11 VAL 7 -12.436 -14.848 0.832 45 HG12 VAL 7 HG12 VAL 7 -13.648 -13.656 0.300 46 HG13 VAL 7 HG13 VAL 7 -13.809 -15.370 -0.121 47 HG21 VAL 7 HG21 VAL 7 -14.065 -14.851 -2.425 48 HG22 VAL 7 HG22 VAL 7 -13.887 -13.105 -2.144 49 HG23 VAL 7 HG23 VAL 7 -12.858 -13.931 -3.323 50 H THR 8 HN THR 8 -8.658 -13.593 -1.606 51 HA THR 8 HA THR 8 -7.968 -13.823 1.298 52 HB THR 8 HB THR 8 -8.958 -16.031 0.427 53 HG1 THR 8 HG1 THR 8 -7.760 -16.223 2.222 54 HG21 THR 8 HG21 THR 8 -7.827 -15.929 -1.802 55 HG22 THR 8 HG22 THR 8 -7.615 -17.446 -0.970 56 HG23 THR 8 HG23 THR 8 -6.278 -16.255 -1.002 57 H ALA 9 HN ALA 9 -5.554 -14.722 1.302 58 HA ALA 9 HA ALA 9 -3.977 -14.700 -0.933 59 HB1 ALA 9 HB1 ALA 9 -3.488 -12.246 0.818 60 HB2 ALA 9 HB2 ALA 9 -2.367 -12.852 -0.413 61 HB3 ALA 9 HB3 ALA 9 -3.963 -12.253 -0.905 62 H ARG 10 HN ARG 10 -1.913 -15.644 -0.366 63 HA ARG 10 HA ARG 10 -1.702 -16.439 2.527 64 HB2 ARG 10 HB2 ARG 10 -1.152 -18.243 0.138 65 HB3 ARG 10 HB3 ARG 10 -1.003 -18.646 1.836 66 HG2 ARG 10 HG2 ARG 10 -3.673 -17.786 1.653 67 HG3 ARG 10 HG3 ARG 10 -3.383 -18.621 0.119 68 HD2 ARG 10 HD2 ARG 10 -4.162 -20.283 1.632 69 HD3 ARG 10 HD3 ARG 10 -2.420 -20.555 1.497 70 HE ARG 10 HE ARG 10 -2.832 -18.788 3.669 71 HH11 ARG 10 HH11 ARG 10 -3.965 -22.060 2.872 72 HH12 ARG 10 HH12 ARG 10 -3.725 -22.693 4.446 73 HH21 ARG 10 HH21 ARG 10 -2.758 -19.584 5.861 74 HH22 ARG 10 HH22 ARG 10 -3.250 -21.226 6.194 75 H HIS 11 HN HIS 11 -0.233 -14.493 0.467 76 HA HIS 11 HA HIS 11 2.542 -15.212 1.215 77 HB2 HIS 11 HB2 HIS 11 1.784 -15.988 -1.069 78 HB3 HIS 11 HB3 HIS 11 1.469 -14.315 -1.498 79 HD1 HIS 11 HD1 HIS 11 3.228 -15.455 -3.448 80 HD2 HIS 11 HD2 HIS 11 4.765 -14.409 0.328 81 HE1 HIS 11 HE1 HIS 11 5.702 -15.128 -3.781 82 H MET 12 HN MET 12 3.521 -13.370 2.108 83 HA MET 12 HA MET 12 2.355 -10.720 1.777 84 HB2 MET 12 HB2 MET 12 0.998 -11.929 3.456 85 HB3 MET 12 HB3 MET 12 2.472 -12.268 4.397 86 HG2 MET 12 HG2 MET 12 2.786 -10.006 4.937 87 HG3 MET 12 HG3 MET 12 1.859 -9.491 3.533 88 HE1 MET 12 HE1 MET 12 -0.597 -9.212 3.341 89 HE2 MET 12 HE2 MET 12 -1.466 -8.619 4.784 90 HE3 MET 12 HE3 MET 12 0.064 -7.866 4.293 91 H SER 13 HN SER 13 4.190 -9.781 1.156 92 HA SER 13 HA SER 13 6.823 -10.499 2.114 93 HB2 SER 13 HB2 SER 13 5.629 -9.184 -0.092 94 HB3 SER 13 HB3 SER 13 6.540 -7.936 0.744 95 HG SER 13 HG SER 13 7.517 -10.481 -0.161 96 H LYS 14 HN LYS 14 8.356 -8.514 2.758 97 HA LYS 14 HA LYS 14 7.770 -7.865 5.390 98 HB2 LYS 14 HB2 LYS 14 10.041 -7.782 4.579 99 HB3 LYS 14 HB3 LYS 14 9.640 -6.504 3.418 100 HG2 LYS 14 HG2 LYS 14 10.895 -5.543 5.223 101 HG3 LYS 14 HG3 LYS 14 9.274 -4.887 5.247 102 HD2 LYS 14 HD2 LYS 14 8.806 -6.755 7.054 103 HD3 LYS 14 HD3 LYS 14 10.566 -6.855 7.168 104 HE2 LYS 14 HE2 LYS 14 10.619 -4.380 7.649 105 HE3 LYS 14 HE3 LYS 14 8.844 -4.363 7.536 106 HZ1 LYS 14 HZ1 LYS 14 9.263 -4.534 9.797 107 HZ2 LYS 14 HZ2 LYS 14 10.512 -5.577 9.637 108 HZ3 LYS 14 HZ3 LYS 14 8.959 -6.076 9.387 109 H TRP 15 HN TRP 15 7.199 -5.781 2.561 110 HA TRP 15 HA TRP 15 6.136 -3.678 4.358 111 HB2 TRP 15 HB2 TRP 15 6.615 -3.643 1.362 112 HB3 TRP 15 HB3 TRP 15 6.169 -2.278 2.358 113 HD1 TRP 15 HD1 TRP 15 9.130 -4.193 1.207 114 HE1 TRP 15 HE1 TRP 15 11.281 -3.418 2.300 115 HE3 TRP 15 HE3 TRP 15 7.114 -1.137 4.807 116 HZ2 TRP 15 HZ2 TRP 15 12.028 -1.508 4.416 117 HZ3 TRP 15 HZ3 TRP 15 8.587 0.002 6.454 118 HH2 TRP 15 HH2 TRP 15 11.056 -0.204 6.243 119 H GLU 16 HN GLU 16 4.669 -6.367 3.103 120 HA GLU 16 HA GLU 16 2.547 -5.188 1.579 121 HB2 GLU 16 HB2 GLU 16 3.267 -7.911 2.623 122 HB3 GLU 16 HB3 GLU 16 1.573 -7.612 2.440 123 HG2 GLU 16 HG2 GLU 16 2.360 -6.667 0.042 124 HG3 GLU 16 HG3 GLU 16 3.670 -7.809 0.340 125 H GLU 17 HN GLU 17 2.735 -6.120 5.078 126 HA GLU 17 HA GLU 17 -0.061 -5.437 5.471 127 HB2 GLU 17 HB2 GLU 17 2.150 -6.639 6.993 128 HB3 GLU 17 HB3 GLU 17 1.360 -5.390 7.941 129 HG2 GLU 17 HG2 GLU 17 -0.542 -7.209 6.549 130 HG3 GLU 17 HG3 GLU 17 0.586 -8.021 7.626 131 H ILE 18 HN ILE 18 3.118 -3.800 5.843 132 HA ILE 18 HA ILE 18 2.181 -1.513 7.245 133 HB ILE 18 HB ILE 18 4.474 -1.903 5.294 134 HG12 ILE 18 HG12 ILE 18 4.565 -1.463 8.314 135 HG13 ILE 18 HG13 ILE 18 4.341 -3.065 7.652 136 HG21 ILE 18 HG21 ILE 18 3.898 0.543 7.032 137 HG22 ILE 18 HG22 ILE 18 5.423 0.244 6.173 138 HG23 ILE 18 HG23 ILE 18 3.940 0.496 5.259 139 HD11 ILE 18 HD11 ILE 18 6.482 -2.817 6.370 140 HD12 ILE 18 HD12 ILE 18 6.751 -1.278 7.241 141 HD13 ILE 18 HD13 ILE 18 6.683 -2.805 8.114 142 H ALA 19 HN ALA 19 2.349 -2.104 3.700 143 HA ALA 19 HA ALA 19 1.327 0.352 2.858 144 HB1 ALA 19 HB1 ALA 19 0.563 -0.932 0.836 145 HB2 ALA 19 HB2 ALA 19 2.215 -1.387 1.319 146 HB3 ALA 19 HB3 ALA 19 0.856 -2.450 1.697 147 H VAL 20 HN VAL 20 -0.459 -2.617 3.533 148 HA VAL 20 HA VAL 20 -3.044 -1.634 2.976 149 HB VAL 20 HB VAL 20 -1.807 -3.985 4.466 150 HG11 VAL 20 HG11 VAL 20 -3.904 -3.862 5.510 151 HG12 VAL 20 HG12 VAL 20 -4.776 -3.592 4.000 152 HG13 VAL 20 HG13 VAL 20 -4.010 -5.154 4.319 153 HG21 VAL 20 HG21 VAL 20 -1.563 -3.668 1.907 154 HG22 VAL 20 HG22 VAL 20 -2.118 -5.212 2.499 155 HG23 VAL 20 HG23 VAL 20 -3.282 -4.054 1.824 156 H LYS 21 HN LYS 21 -1.106 -1.777 5.956 157 HA LYS 21 HA LYS 21 -3.177 -1.162 7.822 158 HB2 LYS 21 HB2 LYS 21 -0.143 -0.959 7.843 159 HB3 LYS 21 HB3 LYS 21 -1.105 -0.336 9.188 160 HG2 LYS 21 HG2 LYS 21 -2.113 -2.456 9.591 161 HG3 LYS 21 HG3 LYS 21 -1.438 -3.197 8.161 162 HD2 LYS 21 HD2 LYS 21 0.743 -3.280 9.031 163 HD3 LYS 21 HD3 LYS 21 0.448 -2.021 10.229 164 HE2 LYS 21 HE2 LYS 21 -0.871 -4.766 10.268 165 HE3 LYS 21 HE3 LYS 21 0.579 -4.348 11.191 166 HZ1 LYS 21 HZ1 LYS 21 -2.039 -2.992 11.477 167 HZ2 LYS 21 HZ2 LYS 21 -0.710 -2.673 12.345 168 HZ3 LYS 21 HZ3 LYS 21 -1.465 -4.158 12.481 169 H GLU 22 HN GLU 22 -0.718 0.968 6.199 170 HA GLU 22 HA GLU 22 -1.781 3.351 7.319 171 HB2 GLU 22 HB2 GLU 22 -0.368 2.993 4.676 172 HB3 GLU 22 HB3 GLU 22 -0.639 4.531 5.533 173 HG2 GLU 22 HG2 GLU 22 0.998 2.242 6.621 174 HG3 GLU 22 HG3 GLU 22 1.678 3.569 5.732 175 H ALA 23 HN ALA 23 -2.511 1.657 4.214 176 HA ALA 23 HA ALA 23 -4.507 3.421 3.302 177 HB1 ALA 23 HB1 ALA 23 -3.416 1.725 1.893 178 HB2 ALA 23 HB2 ALA 23 -4.246 0.431 2.789 179 HB3 ALA 23 HB3 ALA 23 -5.182 1.588 1.821 180 H LYS 24 HN LYS 24 -4.877 1.059 5.897 181 HA LYS 24 HA LYS 24 -7.864 1.352 5.702 182 HB2 LYS 24 HB2 LYS 24 -8.166 -0.480 6.887 183 HB3 LYS 24 HB3 LYS 24 -6.698 -0.855 5.977 184 HG2 LYS 24 HG2 LYS 24 -5.370 -0.349 8.060 185 HG3 LYS 24 HG3 LYS 24 -6.912 -0.072 8.881 186 HD2 LYS 24 HD2 LYS 24 -6.152 -2.322 9.402 187 HD3 LYS 24 HD3 LYS 24 -7.565 -2.450 8.341 188 HE2 LYS 24 HE2 LYS 24 -6.097 -2.844 6.390 189 HE3 LYS 24 HE3 LYS 24 -4.663 -2.610 7.385 190 HZ1 LYS 24 HZ1 LYS 24 -5.109 -4.950 7.022 191 HZ2 LYS 24 HZ2 LYS 24 -6.604 -4.850 7.654 192 HZ3 LYS 24 HZ3 LYS 24 -5.292 -4.647 8.607 193 H LYS 25 HN LYS 25 -5.098 2.330 7.721 194 HA LYS 25 HA LYS 25 -6.891 3.296 9.810 195 HB2 LYS 25 HB2 LYS 25 -5.001 3.439 11.126 196 HB3 LYS 25 HB3 LYS 25 -4.697 2.088 10.069 197 HG2 LYS 25 HG2 LYS 25 -2.663 3.038 10.037 198 HG3 LYS 25 HG3 LYS 25 -3.365 3.838 8.631 199 HD2 LYS 25 HD2 LYS 25 -3.731 5.892 9.887 200 HD3 LYS 25 HD3 LYS 25 -3.332 5.108 11.415 201 HE2 LYS 25 HE2 LYS 25 -1.408 5.344 9.058 202 HE3 LYS 25 HE3 LYS 25 -1.487 6.529 10.360 203 HZ1 LYS 25 HZ1 LYS 25 0.016 4.329 10.305 204 HZ2 LYS 25 HZ2 LYS 25 -1.198 3.841 11.296 205 HZ3 LYS 25 HZ3 LYS 25 -0.344 5.188 11.696 206 H ARG 26 HN ARG 26 -4.950 4.745 7.292 207 HA ARG 26 HA ARG 26 -5.285 7.499 8.074 208 HB2 ARG 26 HB2 ARG 26 -3.690 6.560 6.303 209 HB3 ARG 26 HB3 ARG 26 -5.075 6.512 5.227 210 HG2 ARG 26 HG2 ARG 26 -4.307 8.557 4.628 211 HG3 ARG 26 HG3 ARG 26 -5.239 9.136 5.990 212 HD2 ARG 26 HD2 ARG 26 -3.178 8.980 7.406 213 HD3 ARG 26 HD3 ARG 26 -2.283 8.504 5.968 214 HE ARG 26 HE ARG 26 -2.708 10.644 4.952 215 HH11 ARG 26 HH11 ARG 26 -3.943 10.634 8.245 216 HH12 ARG 26 HH12 ARG 26 -3.441 12.256 8.617 217 HH21 ARG 26 HH21 ARG 26 -2.135 12.893 5.393 218 HH22 ARG 26 HH22 ARG 26 -2.419 13.532 6.975 219 H TYR 27 HN TYR 27 -7.830 5.373 7.494 220 HA TYR 27 HA TYR 27 -9.532 7.399 6.163 221 HB2 TYR 27 HB2 TYR 27 -9.116 4.521 5.304 222 HB3 TYR 27 HB3 TYR 27 -10.447 5.555 4.775 223 HD1 TYR 27 HD2 TYR 27 -10.068 7.544 3.430 224 HD2 TYR 27 HD1 TYR 27 -6.884 4.825 4.346 225 HE1 TYR 27 HE2 TYR 27 -8.674 8.595 1.647 226 HE2 TYR 27 HE1 TYR 27 -5.504 5.785 2.514 227 HH TYR 27 HH TYR 27 -6.621 8.559 0.577 228 HA PRO 28 HA PRO 28 -11.484 5.582 9.935 229 HB2 PRO 28 HB2 PRO 28 -12.469 8.039 10.808 230 HB3 PRO 28 HB3 PRO 28 -10.955 7.257 11.347 231 HG2 PRO 28 HG2 PRO 28 -11.307 9.532 9.446 232 HG3 PRO 28 HG3 PRO 28 -9.889 9.105 10.472 233 HD2 PRO 28 HD2 PRO 28 -10.062 8.695 7.759 234 HD3 PRO 28 HD3 PRO 28 -8.929 7.903 8.896 235 H LEU 29 HN LEU 29 -12.529 7.827 7.349 236 HA LEU 29 HA LEU 29 -15.350 7.392 7.851 237 HB2 LEU 29 HB2 LEU 29 -13.756 8.749 5.675 238 HB3 LEU 29 HB3 LEU 29 -15.470 8.443 5.475 239 HG LEU 29 HG LEU 29 -16.098 9.758 7.361 240 HD11 LEU 29 HD11 LEU 29 -14.478 11.088 8.696 241 HD12 LEU 29 HD12 LEU 29 -13.133 10.214 7.944 242 HD13 LEU 29 HD13 LEU 29 -14.308 9.368 8.989 243 HD21 LEU 29 HD21 LEU 29 -15.601 10.907 5.210 244 HD22 LEU 29 HD22 LEU 29 -13.954 11.251 5.782 245 HD23 LEU 29 HD23 LEU 29 -15.353 11.957 6.618 246 H ALA 30 HN ALA 30 -12.930 5.540 6.125 247 HA ALA 30 HA ALA 30 -15.080 4.000 4.743 248 HB1 ALA 30 HB1 ALA 30 -13.493 3.531 2.945 249 HB2 ALA 30 HB2 ALA 30 -13.705 5.299 3.122 250 HB3 ALA 30 HB3 ALA 30 -12.253 4.510 3.764 251 H GLN 31 HN GLN 31 -13.907 1.996 3.862 252 HA GLN 31 HA GLN 31 -12.515 0.413 5.924 253 HB2 GLN 31 HB2 GLN 31 -14.746 -0.256 6.208 254 HB3 GLN 31 HB3 GLN 31 -15.157 0.106 4.516 255 HG2 GLN 31 HG2 GLN 31 -13.981 -1.725 3.709 256 HG3 GLN 31 HG3 GLN 31 -13.351 -2.205 5.322 257 HE21 GLN 31 HE21 GLN 31 -16.662 -1.133 4.666 258 HE22 GLN 31 HE22 GLN 31 -17.442 -2.598 5.207 259 H VAL 32 HN VAL 32 -11.094 -1.030 5.014 260 HA VAL 32 HA VAL 32 -10.492 -0.775 2.134 261 HB VAL 32 HB VAL 32 -8.855 -0.380 4.084 262 HG11 VAL 32 HG11 VAL 32 -9.223 -2.291 5.491 263 HG12 VAL 32 HG12 VAL 32 -8.871 -3.425 4.182 264 HG13 VAL 32 HG13 VAL 32 -7.582 -2.425 4.821 265 HG21 VAL 32 HG21 VAL 32 -7.887 -2.312 1.994 266 HG22 VAL 32 HG22 VAL 32 -8.236 -0.597 1.679 267 HG23 VAL 32 HG23 VAL 32 -7.005 -1.000 2.872 268 H LEU 33 HN LEU 33 -10.568 -2.548 0.673 269 HA LEU 33 HA LEU 33 -10.900 -5.259 1.763 270 HB2 LEU 33 HB2 LEU 33 -12.627 -5.496 -0.236 271 HB3 LEU 33 HB3 LEU 33 -13.097 -5.081 1.363 272 HG LEU 33 HG LEU 33 -12.463 -2.891 -0.590 273 HD11 LEU 33 HD11 LEU 33 -15.073 -4.470 -0.501 274 HD12 LEU 33 HD12 LEU 33 -13.946 -4.275 -1.865 275 HD13 LEU 33 HD13 LEU 33 -14.873 -2.884 -1.294 276 HD21 LEU 33 HD21 LEU 33 -14.441 -1.844 0.640 277 HD22 LEU 33 HD22 LEU 33 -13.029 -2.024 1.586 278 HD23 LEU 33 HD23 LEU 33 -14.353 -3.197 1.799 279 H PHE 34 HN PHE 34 -8.507 -4.059 0.677 280 HA PHE 34 HA PHE 34 -8.115 -5.931 -1.541 281 HB2 PHE 34 HB2 PHE 34 -8.804 -3.295 -2.122 282 HB3 PHE 34 HB3 PHE 34 -7.054 -3.217 -2.194 283 HD1 PHE 34 HD2 PHE 34 -10.089 -5.022 -3.414 284 HD2 PHE 34 HD1 PHE 34 -5.911 -4.126 -4.156 285 HE1 PHE 34 HE2 PHE 34 -10.237 -6.086 -5.643 286 HE2 PHE 34 HE1 PHE 34 -6.085 -5.204 -6.371 287 HZ PHE 34 HZ PHE 34 -8.216 -6.232 -7.109 288 H LYS 35 HN LYS 35 -5.809 -6.315 -1.929 289 HA LYS 35 HA LYS 35 -3.789 -5.025 -0.281 290 HB2 LYS 35 HB2 LYS 35 -4.081 -8.052 -0.004 291 HB3 LYS 35 HB3 LYS 35 -2.788 -7.030 0.605 292 HG2 LYS 35 HG2 LYS 35 -4.728 -5.875 1.970 293 HG3 LYS 35 HG3 LYS 35 -5.592 -7.370 1.615 294 HD2 LYS 35 HD2 LYS 35 -2.969 -7.029 3.104 295 HD3 LYS 35 HD3 LYS 35 -4.526 -7.421 3.809 296 HE2 LYS 35 HE2 LYS 35 -3.952 -9.423 1.842 297 HE3 LYS 35 HE3 LYS 35 -2.458 -9.177 2.700 298 HZ1 LYS 35 HZ1 LYS 35 -3.899 -10.894 3.707 299 HZ2 LYS 35 HZ2 LYS 35 -5.048 -9.780 4.016 300 HZ3 LYS 35 HZ3 LYS 35 -3.598 -9.712 4.788 301 H GLN 36 HN GLN 36 -3.091 -4.345 -2.571 302 HA GLN 36 HA GLN 36 -1.668 -6.516 -3.861 303 HB2 GLN 36 HB2 GLN 36 -4.107 -6.442 -4.721 304 HB3 GLN 36 HB3 GLN 36 -3.663 -4.942 -5.533 305 HG2 GLN 36 HG2 GLN 36 -2.395 -6.054 -7.114 306 HG3 GLN 36 HG3 GLN 36 -1.773 -7.228 -5.951 307 HE21 GLN 36 HE21 GLN 36 -4.568 -6.476 -8.042 308 HE22 GLN 36 HE22 GLN 36 -5.254 -8.053 -8.041 309 H LYS 37 HN LYS 37 -0.545 -5.602 -5.900 310 HA LYS 37 HA LYS 37 0.781 -3.070 -5.106 311 HB2 LYS 37 HB2 LYS 37 2.895 -4.080 -5.951 312 HB3 LYS 37 HB3 LYS 37 2.246 -4.920 -4.548 313 HG2 LYS 37 HG2 LYS 37 1.399 -6.738 -5.927 314 HG3 LYS 37 HG3 LYS 37 1.850 -5.890 -7.416 315 HD2 LYS 37 HD2 LYS 37 4.189 -6.211 -7.036 316 HD3 LYS 37 HD3 LYS 37 3.928 -6.573 -5.324 317 HE2 LYS 37 HE2 LYS 37 4.428 -8.659 -6.356 318 HE3 LYS 37 HE3 LYS 37 2.720 -8.646 -5.929 319 HZ1 LYS 37 HZ1 LYS 37 2.740 -9.511 -8.031 320 HZ2 LYS 37 HZ2 LYS 37 3.927 -8.554 -8.601 321 HZ3 LYS 37 HZ3 LYS 37 2.406 -7.952 -8.385 322 H VAL 38 HN VAL 38 2.029 -2.143 -7.020 323 HA VAL 38 HA VAL 38 0.903 -2.905 -9.641 324 HB VAL 38 HB VAL 38 -0.507 -1.127 -8.483 325 HG11 VAL 38 HG11 VAL 38 1.775 0.730 -9.250 326 HG12 VAL 38 HG12 VAL 38 0.178 1.202 -8.659 327 HG13 VAL 38 HG13 VAL 38 1.280 0.311 -7.598 328 HG21 VAL 38 HG21 VAL 38 0.505 -0.667 -11.292 329 HG22 VAL 38 HG22 VAL 38 -0.865 -1.635 -10.755 330 HG23 VAL 38 HG23 VAL 38 -0.907 0.116 -10.564 331 H TRP 39 HN TRP 39 3.704 -2.612 -7.967 332 HA TRP 39 HA TRP 39 5.280 -1.997 -10.305 333 HB2 TRP 39 HB2 TRP 39 4.611 0.240 -9.138 334 HB3 TRP 39 HB3 TRP 39 5.580 -0.305 -7.779 335 HD1 TRP 39 HD1 TRP 39 6.685 -0.691 -11.447 336 HE1 TRP 39 HE1 TRP 39 8.690 0.853 -11.904 337 HE3 TRP 39 HE3 TRP 39 6.981 1.762 -6.941 338 HZ2 TRP 39 HZ2 TRP 39 9.690 3.278 -10.825 339 HZ3 TRP 39 HZ3 TRP 39 8.552 3.664 -6.700 340 HH2 TRP 39 HH2 TRP 39 9.846 4.467 -8.651 341 H ASP 40 HN ASP 40 7.586 -2.647 -9.843 342 HA ASP 40 HA ASP 40 8.338 -2.934 -7.131 343 HB2 ASP 40 HB2 ASP 40 7.556 -5.273 -7.359 344 HB3 ASP 40 HB3 ASP 40 8.606 -5.493 -8.762 345 H ARG 41 HN ARG 41 10.347 -2.142 -7.033 346 HA ARG 41 HA ARG 41 12.287 -2.466 -9.191 347 HB2 ARG 41 HB2 ARG 41 12.820 -0.170 -9.392 348 HB3 ARG 41 HB3 ARG 41 11.170 -0.459 -9.922 349 HG2 ARG 41 HG2 ARG 41 10.277 0.854 -8.286 350 HG3 ARG 41 HG3 ARG 41 11.402 0.309 -7.049 351 HD2 ARG 41 HD2 ARG 41 11.686 2.602 -7.535 352 HD3 ARG 41 HD3 ARG 41 13.185 1.734 -7.900 353 HE ARG 41 HE ARG 41 11.595 1.968 -10.254 354 HH11 ARG 41 HH11 ARG 41 13.544 4.130 -8.146 355 HH12 ARG 41 HH12 ARG 41 14.009 5.144 -9.453 356 HH21 ARG 41 HH21 ARG 41 11.838 3.629 -11.841 357 HH22 ARG 41 HH22 ARG 41 12.879 4.974 -11.520 358 H LYS 42 HN LYS 42 14.364 -1.151 -8.306 359 HA LYS 42 HA LYS 42 14.327 -0.676 -5.487 360 HB2 LYS 42 HB2 LYS 42 15.341 -3.209 -6.221 361 HB3 LYS 42 HB3 LYS 42 16.784 -2.206 -6.090 362 HG2 LYS 42 HG2 LYS 42 16.037 -1.502 -3.807 363 HG3 LYS 42 HG3 LYS 42 14.616 -2.563 -3.974 364 HD2 LYS 42 HD2 LYS 42 16.182 -4.516 -4.311 365 HD3 LYS 42 HD3 LYS 42 17.533 -3.415 -4.047 366 HE2 LYS 42 HE2 LYS 42 17.408 -3.941 -1.887 367 HE3 LYS 42 HE3 LYS 42 15.983 -2.910 -1.805 368 HZ1 LYS 42 HZ1 LYS 42 14.618 -4.885 -2.192 369 HZ2 LYS 42 HZ2 LYS 42 15.633 -5.200 -0.923 370 HZ3 LYS 42 HZ3 LYS 42 15.938 -5.810 -2.414 371 H ARG 43 HN ARG 43 16.680 0.331 -4.963 372 HA ARG 43 HA ARG 43 17.741 1.828 -7.286 373 HB2 ARG 43 HB2 ARG 43 16.161 3.304 -6.666 374 HB3 ARG 43 HB3 ARG 43 16.149 2.853 -4.983 375 HG2 ARG 43 HG2 ARG 43 17.012 4.982 -4.959 376 HG3 ARG 43 HG3 ARG 43 18.408 3.914 -4.780 377 HD2 ARG 43 HD2 ARG 43 18.582 4.216 -7.422 378 HD3 ARG 43 HD3 ARG 43 17.579 5.644 -7.101 379 HE ARG 43 HE ARG 43 19.653 5.592 -5.177 380 HH11 ARG 43 HH11 ARG 43 19.356 6.560 -8.606 381 HH12 ARG 43 HH12 ARG 43 20.916 7.301 -8.567 382 HH21 ARG 43 HH21 ARG 43 21.523 6.464 -5.179 383 HH22 ARG 43 HH22 ARG 43 22.200 7.309 -6.545 384 H LYS 44 HN LYS 44 19.833 2.895 -6.569 385 HA LYS 44 HA LYS 44 21.585 0.778 -5.843 386 HB2 LYS 44 HB2 LYS 44 21.969 3.810 -5.940 387 HB3 LYS 44 HB3 LYS 44 23.295 2.693 -5.656 388 HG2 LYS 44 HG2 LYS 44 21.557 2.540 -8.157 389 HG3 LYS 44 HG3 LYS 44 23.004 3.541 -8.029 390 HD2 LYS 44 HD2 LYS 44 24.346 1.513 -7.428 391 HD3 LYS 44 HD3 LYS 44 22.906 0.515 -7.735 392 HE2 LYS 44 HE2 LYS 44 22.835 1.254 -10.076 393 HE3 LYS 44 HE3 LYS 44 24.140 2.413 -9.772 394 HZ1 LYS 44 HZ1 LYS 44 24.412 -0.525 -9.644 395 HZ2 LYS 44 HZ2 LYS 44 25.598 0.534 -9.285 396 HZ3 LYS 44 HZ3 LYS 44 24.994 0.446 -10.827 397 H ASP 45 HN ASP 45 20.263 3.424 -3.897 398 HA ASP 45 HA ASP 45 21.372 2.350 -1.399 399 HB2 ASP 45 HB2 ASP 45 22.034 4.605 -0.921 400 HB3 ASP 45 HB3 ASP 45 22.785 4.108 -2.433 401 H GLU 46 HN GLU 46 18.568 2.565 -2.834 402 HA GLU 46 HA GLU 46 17.144 3.149 -0.464 403 HB2 GLU 46 HB2 GLU 46 17.533 5.424 -1.951 404 HB3 GLU 46 HB3 GLU 46 16.027 4.826 -2.676 405 HG2 GLU 46 HG2 GLU 46 14.933 4.817 -0.517 406 HG3 GLU 46 HG3 GLU 46 16.470 5.020 0.330 407 H ALA 47 HN ALA 47 14.656 2.742 -1.110 408 HA ALA 47 HA ALA 47 14.252 1.102 -3.497 409 HB1 ALA 47 HB1 ALA 47 14.029 0.049 -0.656 410 HB2 ALA 47 HB2 ALA 47 13.485 -0.807 -2.131 411 HB3 ALA 47 HB3 ALA 47 15.212 -0.493 -1.854 412 H VAL 48 HN VAL 48 12.061 1.109 -4.055 413 HA VAL 48 HA VAL 48 10.202 2.464 -2.215 414 HB VAL 48 HB VAL 48 10.441 3.144 -5.172 415 HG11 VAL 48 HG11 VAL 48 8.206 3.389 -4.095 416 HG12 VAL 48 HG12 VAL 48 8.925 4.462 -2.865 417 HG13 VAL 48 HG13 VAL 48 8.877 4.940 -4.571 418 HG21 VAL 48 HG21 VAL 48 11.302 5.372 -4.431 419 HG22 VAL 48 HG22 VAL 48 11.494 4.735 -2.788 420 HG23 VAL 48 HG23 VAL 48 12.448 4.070 -4.136 421 H LYS 49 HN LYS 49 8.459 1.195 -2.024 422 HA LYS 49 HA LYS 49 7.756 -0.710 -4.215 423 HB2 LYS 49 HB2 LYS 49 8.252 -1.403 -1.296 424 HB3 LYS 49 HB3 LYS 49 7.260 -2.397 -2.379 425 HG2 LYS 49 HG2 LYS 49 9.124 -2.696 -3.941 426 HG3 LYS 49 HG3 LYS 49 10.128 -1.585 -3.025 427 HD2 LYS 49 HD2 LYS 49 10.868 -3.779 -2.519 428 HD3 LYS 49 HD3 LYS 49 10.094 -3.093 -1.080 429 HE2 LYS 49 HE2 LYS 49 9.587 -5.451 -1.377 430 HE3 LYS 49 HE3 LYS 49 8.129 -4.449 -1.378 431 HZ1 LYS 49 HZ1 LYS 49 8.693 -6.298 -3.160 432 HZ2 LYS 49 HZ2 LYS 49 9.212 -5.006 -4.013 433 HZ3 LYS 49 HZ3 LYS 49 7.656 -5.046 -3.445 434 H GLN 50 HN GLN 50 6.309 0.882 -4.747 435 HA GLN 50 HA GLN 50 4.329 1.841 -2.821 436 HB2 GLN 50 HB2 GLN 50 4.957 2.310 -5.758 437 HB3 GLN 50 HB3 GLN 50 3.420 2.849 -5.070 438 HG2 GLN 50 HG2 GLN 50 4.392 4.282 -3.560 439 HG3 GLN 50 HG3 GLN 50 5.984 3.554 -3.614 440 HE21 GLN 50 HE21 GLN 50 3.925 6.066 -4.785 441 HE22 GLN 50 HE22 GLN 50 5.099 6.832 -5.834 442 H TYR 51 HN TYR 51 2.219 1.306 -2.767 443 HA TYR 51 HA TYR 51 1.344 -1.138 -4.226 444 HB2 TYR 51 HB2 TYR 51 0.871 -0.261 -1.366 445 HB3 TYR 51 HB3 TYR 51 -0.102 -1.488 -2.151 446 HD1 TYR 51 HD1 TYR 51 3.403 -0.701 -1.077 447 HD2 TYR 51 HD2 TYR 51 0.631 -3.728 -2.378 448 HE1 TYR 51 HE1 TYR 51 5.004 -2.431 -0.439 449 HE2 TYR 51 HE2 TYR 51 2.196 -5.474 -1.791 450 HH TYR 51 HH TYR 51 4.093 -5.912 -0.562 451 H HIS 52 HN HIS 52 -1.178 -1.295 -4.058 452 HA HIS 52 HA HIS 52 -2.540 1.199 -4.781 453 HB2 HIS 52 HB2 HIS 52 -1.285 0.519 -6.783 454 HB3 HIS 52 HB3 HIS 52 -1.877 -1.134 -6.624 455 HD1 HIS 52 HD1 HIS 52 -4.388 1.931 -6.555 456 HD2 HIS 52 HD2 HIS 52 -2.862 -1.159 -9.030 457 HE1 HIS 52 HE1 HIS 52 -5.815 1.859 -8.572 458 H LEU 53 HN LEU 53 -4.204 0.890 -3.340 459 HA LEU 53 HA LEU 53 -5.409 -1.807 -3.057 460 HB2 LEU 53 HB2 LEU 53 -5.381 0.561 -1.129 461 HB3 LEU 53 HB3 LEU 53 -6.095 -1.020 -0.841 462 HG LEU 53 HG LEU 53 -4.156 -0.830 0.397 463 HD11 LEU 53 HD11 LEU 53 -4.611 -3.045 -0.716 464 HD12 LEU 53 HD12 LEU 53 -2.935 -2.848 -0.198 465 HD13 LEU 53 HD13 LEU 53 -3.373 -2.641 -1.920 466 HD21 LEU 53 HD21 LEU 53 -2.250 -0.514 -1.857 467 HD22 LEU 53 HD22 LEU 53 -2.001 -0.434 -0.096 468 HD23 LEU 53 HD23 LEU 53 -2.928 0.844 -0.936 469 H THR 54 HN THR 54 -7.925 -1.046 -2.022 470 HA THR 54 HA THR 54 -8.763 1.381 -3.267 471 HB THR 54 HB THR 54 -9.061 -0.617 -4.994 472 HG1 THR 54 HG1 THR 54 -10.396 0.776 -5.889 473 HG21 THR 54 HG21 THR 54 -10.537 -1.929 -3.277 474 HG22 THR 54 HG22 THR 54 -11.165 -1.711 -4.939 475 HG23 THR 54 HG23 THR 54 -11.753 -0.669 -3.648 476 H LEU 55 HN LEU 55 -10.675 2.077 -2.236 477 HA LEU 55 HA LEU 55 -11.489 0.539 0.233 478 HB2 LEU 55 HB2 LEU 55 -10.861 3.490 -0.038 479 HB3 LEU 55 HB3 LEU 55 -11.924 2.875 1.216 480 HG LEU 55 HG LEU 55 -9.755 1.109 1.366 481 HD11 LEU 55 HD11 LEU 55 -7.746 2.464 1.473 482 HD12 LEU 55 HD12 LEU 55 -8.671 3.908 0.995 483 HD13 LEU 55 HD13 LEU 55 -8.481 2.562 -0.143 484 HD21 LEU 55 HD21 LEU 55 -11.068 2.310 3.215 485 HD22 LEU 55 HD22 LEU 55 -9.845 3.567 3.081 486 HD23 LEU 55 HD23 LEU 55 -9.353 1.919 3.497 487 H ARG 56 HN ARG 56 -13.584 1.021 1.036 488 HA ARG 56 HA ARG 56 -15.537 1.843 -1.061 489 HB2 ARG 56 HB2 ARG 56 -15.603 -0.576 -0.728 490 HB3 ARG 56 HB3 ARG 56 -15.877 -0.306 0.993 491 HG2 ARG 56 HG2 ARG 56 -18.031 -0.637 0.369 492 HG3 ARG 56 HG3 ARG 56 -17.982 1.104 0.083 493 HD2 ARG 56 HD2 ARG 56 -17.645 0.753 -2.291 494 HD3 ARG 56 HD3 ARG 56 -17.420 -0.991 -2.040 495 HE ARG 56 HE ARG 56 -19.976 0.180 -1.171 496 HH11 ARG 56 HH11 ARG 56 -18.278 -1.897 -3.551 497 HH12 ARG 56 HH12 ARG 56 -19.723 -2.402 -4.271 498 HH21 ARG 56 HH21 ARG 56 -21.906 -0.788 -2.126 499 HH22 ARG 56 HH22 ARG 56 -21.772 -1.625 -3.643 500 H GLU 57 HN GLU 57 -16.552 3.710 -0.338 501 HA GLU 57 HA GLU 57 -17.038 4.019 2.586 502 HB2 GLU 57 HB2 GLU 57 -15.485 5.775 1.708 503 HB3 GLU 57 HB3 GLU 57 -16.743 6.285 0.565 504 HG2 GLU 57 HG2 GLU 57 -18.248 6.757 2.441 505 HG3 GLU 57 HG3 GLU 57 -17.036 6.218 3.596 506 H GLY 58 HN GLY 58 -19.085 3.484 2.901 507 HA2 GLY 58 HA1 GLY 58 -21.185 2.715 2.497 508 HA3 GLY 58 HA2 GLY 58 -21.417 4.258 1.679 509 H SER 59 HN SER 59 -21.534 4.303 -0.542 510 HA SER 59 HA SER 59 -21.698 1.716 -1.985 511 HB2 SER 59 HB2 SER 59 -23.480 2.941 -3.289 512 HB3 SER 59 HB3 SER 59 -23.862 2.561 -1.607 513 HG SER 59 HG SER 59 -22.993 5.047 -2.664 514 H LYS 60 HN LYS 60 -19.374 3.967 -1.804 515 HA LYS 60 HA LYS 60 -18.973 3.951 -4.770 516 HB2 LYS 60 HB2 LYS 60 -19.247 6.241 -4.079 517 HB3 LYS 60 HB3 LYS 60 -18.171 6.047 -2.696 518 HG2 LYS 60 HG2 LYS 60 -16.347 6.058 -4.039 519 HG3 LYS 60 HG3 LYS 60 -17.184 5.525 -5.502 520 HD2 LYS 60 HD2 LYS 60 -16.433 7.788 -5.739 521 HD3 LYS 60 HD3 LYS 60 -18.205 7.738 -5.750 522 HE2 LYS 60 HE2 LYS 60 -18.264 8.496 -3.399 523 HE3 LYS 60 HE3 LYS 60 -16.505 8.429 -3.312 524 HZ1 LYS 60 HZ1 LYS 60 -16.405 10.180 -4.974 525 HZ2 LYS 60 HZ2 LYS 60 -17.294 10.657 -3.647 526 HZ3 LYS 60 HZ3 LYS 60 -18.024 10.255 -5.063 527 H GLU 61 HN GLU 61 -16.898 3.370 -5.446 528 HA GLU 61 HA GLU 61 -15.018 2.395 -3.397 529 HB2 GLU 61 HB2 GLU 61 -15.857 1.153 -6.022 530 HB3 GLU 61 HB3 GLU 61 -14.120 1.156 -5.641 531 HG2 GLU 61 HG2 GLU 61 -14.630 0.262 -3.401 532 HG3 GLU 61 HG3 GLU 61 -16.303 0.064 -3.859 533 H PHE 62 HN PHE 62 -12.825 2.964 -3.784 534 HA PHE 62 HA PHE 62 -12.168 4.617 -6.071 535 HB2 PHE 62 HB2 PHE 62 -11.430 6.517 -4.656 536 HB3 PHE 62 HB3 PHE 62 -13.163 6.340 -4.788 537 HD1 PHE 62 HD1 PHE 62 -14.424 5.130 -2.825 538 HD2 PHE 62 HD2 PHE 62 -10.414 6.682 -2.493 539 HE1 PHE 62 HE1 PHE 62 -14.752 5.433 -0.407 540 HE2 PHE 62 HE2 PHE 62 -10.770 7.058 -0.076 541 HZ PHE 62 HZ PHE 62 -12.939 6.420 0.984 542 H GLY 63 HN GLY 63 -10.084 4.412 -6.537 543 HA2 GLY 63 HA1 GLY 63 -8.460 2.484 -5.079 544 HA3 GLY 63 HA2 GLY 63 -8.021 3.359 -6.545 545 H VAL 64 HN VAL 64 -6.984 2.943 -3.502 546 HA VAL 64 HA VAL 64 -5.784 5.673 -3.550 547 HB VAL 64 HB VAL 64 -5.559 5.735 -1.273 548 HG11 VAL 64 HG11 VAL 64 -7.896 6.087 -2.157 549 HG12 VAL 64 HG12 VAL 64 -8.307 4.465 -1.602 550 HG13 VAL 64 HG13 VAL 64 -7.800 5.698 -0.428 551 HG21 VAL 64 HG21 VAL 64 -6.153 3.967 0.313 552 HG22 VAL 64 HG22 VAL 64 -6.393 2.835 -1.053 553 HG23 VAL 64 HG23 VAL 64 -4.785 3.520 -0.706 554 H PHE 65 HN PHE 65 -3.595 5.904 -3.268 555 HA PHE 65 HA PHE 65 -1.980 3.480 -3.884 556 HB2 PHE 65 HB2 PHE 65 -1.618 6.396 -4.607 557 HB3 PHE 65 HB3 PHE 65 -0.374 5.196 -4.841 558 HD1 PHE 65 HD1 PHE 65 -1.359 2.981 -6.220 559 HD2 PHE 65 HD2 PHE 65 -2.863 7.026 -6.466 560 HE1 PHE 65 HE1 PHE 65 -2.074 2.590 -8.565 561 HE2 PHE 65 HE2 PHE 65 -3.623 6.596 -8.772 562 HZ PHE 65 HZ PHE 65 -3.201 4.392 -9.843 563 H VAL 66 HN VAL 66 -0.027 3.265 -2.786 564 HA VAL 66 HA VAL 66 0.189 4.750 -0.185 565 HB VAL 66 HB VAL 66 0.342 1.821 -0.909 566 HG11 VAL 66 HG11 VAL 66 2.073 2.936 1.022 567 HG12 VAL 66 HG12 VAL 66 0.740 2.280 1.950 568 HG13 VAL 66 HG13 VAL 66 1.630 1.250 0.803 569 HG21 VAL 66 HG21 VAL 66 -1.353 1.555 0.835 570 HG22 VAL 66 HG22 VAL 66 -1.294 3.274 1.203 571 HG23 VAL 66 HG23 VAL 66 -1.904 2.746 -0.367 572 H THR 67 HN THR 67 2.174 5.643 0.174 573 HA THR 67 HA THR 67 4.360 4.943 -1.685 574 HB THR 67 HB THR 67 4.089 7.498 -0.114 575 HG1 THR 67 HG1 THR 67 3.160 8.389 -1.956 576 HG21 THR 67 HG21 THR 67 6.304 7.103 -1.058 577 HG22 THR 67 HG22 THR 67 5.501 8.323 -2.058 578 HG23 THR 67 HG23 THR 67 5.612 6.661 -2.635 579 H ILE 68 HN ILE 68 6.105 3.979 -0.884 580 HA ILE 68 HA ILE 68 6.645 3.984 2.031 581 HB ILE 68 HB ILE 68 6.483 1.563 0.157 582 HG12 ILE 68 HG12 ILE 68 4.652 2.463 2.422 583 HG13 ILE 68 HG13 ILE 68 4.240 2.115 0.747 584 HG21 ILE 68 HG21 ILE 68 7.023 1.679 3.165 585 HG22 ILE 68 HG22 ILE 68 7.178 0.250 2.112 586 HG23 ILE 68 HG23 ILE 68 8.328 1.567 1.958 587 HD11 ILE 68 HD11 ILE 68 3.432 0.344 2.158 588 HD12 ILE 68 HD12 ILE 68 4.734 -0.306 1.145 589 HD13 ILE 68 HD13 ILE 68 5.004 0.059 2.871 590 H SER 69 HN SER 69 8.698 4.918 1.985 591 HA SER 69 HA SER 69 10.588 4.235 -0.204 592 HB2 SER 69 HB2 SER 69 10.402 6.812 1.419 593 HB3 SER 69 HB3 SER 69 11.419 6.440 0.011 594 HG SER 69 HG SER 69 9.244 7.663 -0.149 595 H PHE 70 HN PHE 70 12.271 2.986 0.604 596 HA PHE 70 HA PHE 70 13.097 3.311 3.422 597 HB2 PHE 70 HB2 PHE 70 12.742 0.996 3.931 598 HB3 PHE 70 HB3 PHE 70 11.244 1.675 3.409 599 HD1 PHE 70 HD2 PHE 70 10.549 1.142 0.858 600 HD2 PHE 70 HD1 PHE 70 13.851 -0.754 2.851 601 HE1 PHE 70 HE2 PHE 70 10.621 -0.604 -0.893 602 HE2 PHE 70 HE1 PHE 70 13.812 -2.608 1.197 603 HZ PHE 70 HZ PHE 70 12.202 -2.539 -0.674 604 H ASP 71 HN ASP 71 14.906 1.688 3.856 605 HA ASP 71 HA ASP 71 16.827 2.138 1.678 606 HB2 ASP 71 HB2 ASP 71 16.834 2.379 4.543 607 HB3 ASP 71 HB3 ASP 71 18.052 1.186 4.118 608 HA PRO 72 HA PRO 72 17.290 -2.249 0.986 609 HB2 PRO 72 HB2 PRO 72 19.430 -2.323 -0.654 610 HB3 PRO 72 HB3 PRO 72 17.905 -1.546 -1.160 611 HG2 PRO 72 HG2 PRO 72 20.350 -0.162 -0.005 612 HG3 PRO 72 HG3 PRO 72 19.456 0.244 -1.511 613 HD2 PRO 72 HD2 PRO 72 18.914 1.506 0.857 614 HD3 PRO 72 HD3 PRO 72 17.621 1.074 -0.300 615 H TYR 73 HN TYR 73 19.787 -0.234 2.428 616 HA TYR 73 HA TYR 73 21.758 -1.946 3.273 617 HB2 TYR 73 HB2 TYR 73 20.428 0.405 4.614 618 HB3 TYR 73 HB3 TYR 73 21.706 -0.491 5.418 619 HD1 TYR 73 HD1 TYR 73 21.068 1.305 2.136 620 HD2 TYR 73 HD2 TYR 73 23.877 0.264 5.237 621 HE1 TYR 73 HE1 TYR 73 22.715 2.802 1.123 622 HE2 TYR 73 HE2 TYR 73 25.546 1.807 4.242 623 HH TYR 73 HH TYR 73 25.453 3.946 2.674 624 H SER 74 HN SER 74 18.876 -1.115 5.240 625 HA SER 74 HA SER 74 18.722 -3.870 6.327 626 HB2 SER 74 HB2 SER 74 20.421 -2.229 7.509 627 HB3 SER 74 HB3 SER 74 18.962 -1.507 8.195 628 HG SER 74 HG SER 74 19.769 -3.020 9.532 629 H GLN 75 HN GLN 75 16.872 -1.654 4.844 630 HA GLN 75 HA GLN 75 14.732 -0.898 4.971 631 HB2 GLN 75 HB2 GLN 75 14.356 -3.439 6.652 632 HB3 GLN 75 HB3 GLN 75 13.076 -2.321 6.279 633 HG2 GLN 75 HG2 GLN 75 12.675 -3.783 4.647 634 HG3 GLN 75 HG3 GLN 75 13.766 -2.726 3.767 635 HE21 GLN 75 HE21 GLN 75 16.167 -3.473 3.732 636 HE22 GLN 75 HE22 GLN 75 16.359 -5.238 3.693 637 H LYS 76 HN LYS 76 16.226 0.781 6.164 638 HA LYS 76 HA LYS 76 14.671 1.585 8.572 639 HB2 LYS 76 HB2 LYS 76 16.812 3.002 6.921 640 HB3 LYS 76 HB3 LYS 76 15.674 3.848 7.958 641 HG2 LYS 76 HG2 LYS 76 16.498 2.177 9.839 642 HG3 LYS 76 HG3 LYS 76 17.905 1.992 8.765 643 HD2 LYS 76 HD2 LYS 76 17.955 4.579 8.701 644 HD3 LYS 76 HD3 LYS 76 16.769 4.522 10.014 645 HE2 LYS 76 HE2 LYS 76 18.357 3.448 11.504 646 HE3 LYS 76 HE3 LYS 76 19.467 3.088 10.177 647 HZ1 LYS 76 HZ1 LYS 76 19.909 5.476 9.980 648 HZ2 LYS 76 HZ2 LYS 76 20.237 4.940 11.488 649 HZ3 LYS 76 HZ3 LYS 76 18.867 5.778 11.224 650 H VAL 77 HN VAL 77 12.884 2.756 8.259 651 HA VAL 77 HA VAL 77 11.685 3.233 5.635 652 HB VAL 77 HB VAL 77 10.924 4.166 8.401 653 HG11 VAL 77 HG11 VAL 77 8.594 4.269 7.408 654 HG12 VAL 77 HG12 VAL 77 9.735 5.526 6.900 655 HG13 VAL 77 HG13 VAL 77 9.384 4.183 5.818 656 HG21 VAL 77 HG21 VAL 77 9.336 2.303 8.526 657 HG22 VAL 77 HG22 VAL 77 10.058 1.649 7.044 658 HG23 VAL 77 HG23 VAL 77 11.033 1.803 8.533 659 H ASN 78 HN ASN 78 12.435 4.919 4.440 660 HA ASN 78 HA ASN 78 13.894 7.171 5.644 661 HB2 ASN 78 HB2 ASN 78 13.103 6.568 2.761 662 HB3 ASN 78 HB3 ASN 78 14.049 7.953 3.293 663 HD21 ASN 78 HD21 ASN 78 14.563 5.072 1.842 664 HD22 ASN 78 HD22 ASN 78 16.084 4.643 2.580 665 H LYS 79 HN LYS 79 10.794 6.525 3.892 666 HA LYS 79 HA LYS 79 9.386 8.306 5.636 667 HB2 LYS 79 HB2 LYS 79 10.418 9.426 3.136 668 HB3 LYS 79 HB3 LYS 79 8.658 9.381 3.078 669 HG2 LYS 79 HG2 LYS 79 8.488 10.571 5.186 670 HG3 LYS 79 HG3 LYS 79 10.243 10.596 5.369 671 HD2 LYS 79 HD2 LYS 79 8.778 11.903 3.047 672 HD3 LYS 79 HD3 LYS 79 9.174 12.767 4.525 673 HE2 LYS 79 HE2 LYS 79 11.313 11.315 2.928 674 HE3 LYS 79 HE3 LYS 79 10.776 12.931 2.460 675 HZ1 LYS 79 HZ1 LYS 79 12.729 12.900 3.939 676 HZ2 LYS 79 HZ2 LYS 79 11.819 12.300 5.151 677 HZ3 LYS 79 HZ3 LYS 79 11.493 13.784 4.549 678 H ILE 80 HN ILE 80 7.017 8.294 5.101 679 HA ILE 80 HA ILE 80 6.104 6.256 3.174 680 HB ILE 80 HB ILE 80 5.051 6.779 5.986 681 HG12 ILE 80 HG12 ILE 80 6.998 5.407 6.198 682 HG13 ILE 80 HG13 ILE 80 5.533 4.485 6.467 683 HG21 ILE 80 HG21 ILE 80 3.474 4.930 5.620 684 HG22 ILE 80 HG22 ILE 80 3.156 6.289 4.557 685 HG23 ILE 80 HG23 ILE 80 3.974 4.837 3.919 686 HD11 ILE 80 HD11 ILE 80 6.971 3.053 5.364 687 HD12 ILE 80 HD12 ILE 80 5.701 3.465 4.217 688 HD13 ILE 80 HD13 ILE 80 7.311 4.218 4.079 689 H ALA 81 HN ALA 81 4.020 7.001 2.314 690 HA ALA 81 HA ALA 81 2.726 9.368 3.352 691 HB1 ALA 81 HB1 ALA 81 2.646 10.579 1.152 692 HB2 ALA 81 HB2 ALA 81 4.248 10.554 1.886 693 HB3 ALA 81 HB3 ALA 81 3.877 9.486 0.520 694 H ILE 82 HN ILE 82 0.617 9.742 2.032 695 HA ILE 82 HA ILE 82 -0.467 7.242 0.837 696 HB ILE 82 HB ILE 82 -1.647 8.991 3.003 697 HG12 ILE 82 HG12 ILE 82 -0.242 6.995 3.660 698 HG13 ILE 82 HG13 ILE 82 -1.885 7.006 4.255 699 HG21 ILE 82 HG21 ILE 82 -3.156 7.098 1.155 700 HG22 ILE 82 HG22 ILE 82 -3.761 7.597 2.735 701 HG23 ILE 82 HG23 ILE 82 -3.493 8.806 1.488 702 HD11 ILE 82 HD11 ILE 82 -2.597 5.316 2.687 703 HD12 ILE 82 HD12 ILE 82 -1.043 5.409 1.822 704 HD13 ILE 82 HD13 ILE 82 -1.117 4.758 3.457 705 H LEU 83 HN LEU 83 -1.989 7.638 -0.844 706 HA LEU 83 HA LEU 83 -2.392 10.394 -1.829 707 HB2 LEU 83 HB2 LEU 83 -0.314 9.312 -2.739 708 HB3 LEU 83 HB3 LEU 83 -1.283 8.017 -3.362 709 HG LEU 83 HG LEU 83 -0.643 9.405 -5.124 710 HD11 LEU 83 HD11 LEU 83 -3.441 10.433 -4.734 711 HD12 LEU 83 HD12 LEU 83 -3.093 8.733 -5.135 712 HD13 LEU 83 HD13 LEU 83 -2.583 10.045 -6.223 713 HD21 LEU 83 HD21 LEU 83 -0.009 11.398 -3.834 714 HD22 LEU 83 HD22 LEU 83 -1.727 11.821 -3.633 715 HD23 LEU 83 HD23 LEU 83 -0.987 11.807 -5.255 716 H GLU 84 HN GLU 84 -4.394 10.521 -2.728 717 HA GLU 84 HA GLU 84 -6.064 8.030 -2.940 718 HB2 GLU 84 HB2 GLU 84 -6.487 9.753 -0.945 719 HB3 GLU 84 HB3 GLU 84 -7.260 10.694 -2.225 720 HG2 GLU 84 HG2 GLU 84 -8.559 8.392 -2.668 721 HG3 GLU 84 HG3 GLU 84 -8.036 8.047 -1.020 722 H GLU 85 HN GLU 85 -7.441 7.941 -4.731 723 HA GLU 85 HA GLU 85 -6.944 9.859 -6.900 724 HB2 GLU 85 HB2 GLU 85 -6.941 7.387 -7.251 725 HB3 GLU 85 HB3 GLU 85 -8.644 7.326 -6.763 726 HG2 GLU 85 HG2 GLU 85 -9.346 8.551 -8.683 727 HG3 GLU 85 HG3 GLU 85 -7.702 9.085 -9.052 728 H TYR 86 HN TYR 86 -8.751 11.016 -7.995 729 HA TYR 86 HA TYR 86 -11.392 10.869 -6.979 730 HB2 TYR 86 HB2 TYR 86 -11.440 13.408 -6.498 731 HB3 TYR 86 HB3 TYR 86 -10.700 12.391 -5.278 732 HD1 TYR 86 HD2 TYR 86 -9.792 14.640 -8.174 733 HD2 TYR 86 HD1 TYR 86 -8.489 12.737 -4.533 734 HE1 TYR 86 HE2 TYR 86 -7.665 15.888 -8.301 735 HE2 TYR 86 HE1 TYR 86 -6.371 13.972 -4.650 736 HH TYR 86 HH TYR 86 -5.160 15.555 -5.759 737 H GLN 87 HN GLN 87 -12.884 11.968 -8.457 738 HA GLN 87 HA GLN 87 -11.899 13.320 -10.767 739 HB2 GLN 87 HB2 GLN 87 -12.450 11.618 -12.415 740 HB3 GLN 87 HB3 GLN 87 -11.105 11.144 -11.396 741 HG2 GLN 87 HG2 GLN 87 -13.052 9.955 -9.977 742 HG3 GLN 87 HG3 GLN 87 -13.875 9.994 -11.544 743 HE21 GLN 87 HE21 GLN 87 -11.863 8.244 -9.562 744 HE22 GLN 87 HE22 GLN 87 -11.040 7.234 -10.709 Start of MODEL 30 1 H1 GLY 1 HN GLY 1 -17.336 -10.592 4.883 2 HA2 GLY 1 HA1 GLY 1 -18.438 -11.796 3.016 3 HA3 GLY 1 HA2 GLY 1 -18.184 -10.319 2.056 4 H GLU 2 HN GLU 2 -16.663 -11.029 0.524 5 HA GLU 2 HA GLU 2 -14.190 -12.322 1.365 6 HB2 GLU 2 HB2 GLU 2 -14.992 -10.964 -1.240 7 HB3 GLU 2 HB3 GLU 2 -13.488 -11.848 -0.921 8 HG2 GLU 2 HG2 GLU 2 -14.757 -13.929 -0.522 9 HG3 GLU 2 HG3 GLU 2 -16.283 -13.074 -0.809 10 H GLU 3 HN GLU 3 -12.585 -11.152 2.292 11 HA GLU 3 HA GLU 3 -12.872 -8.199 2.450 12 HB2 GLU 3 HB2 GLU 3 -10.935 -10.080 3.851 13 HB3 GLU 3 HB3 GLU 3 -11.164 -8.357 4.175 14 HG2 GLU 3 HG2 GLU 3 -13.649 -9.022 4.651 15 HG3 GLU 3 HG3 GLU 3 -13.051 -10.680 4.720 16 H THR 4 HN THR 4 -10.539 -10.673 1.344 17 HA THR 4 HA THR 4 -9.895 -8.979 -0.861 18 HB THR 4 HB THR 4 -7.319 -9.950 -0.268 19 HG1 THR 4 HG1 THR 4 -8.164 -9.949 2.090 20 HG21 THR 4 HG21 THR 4 -6.739 -7.562 -0.057 21 HG22 THR 4 HG22 THR 4 -8.443 -7.153 0.191 22 HG23 THR 4 HG23 THR 4 -7.900 -7.801 -1.375 23 HA PRO 5 HA PRO 5 -9.994 -13.062 -2.590 24 HB2 PRO 5 HB2 PRO 5 -8.510 -12.939 -4.866 25 HB3 PRO 5 HB3 PRO 5 -10.039 -12.040 -4.670 26 HG2 PRO 5 HG2 PRO 5 -7.226 -11.009 -4.377 27 HG3 PRO 5 HG3 PRO 5 -8.618 -10.215 -5.168 28 HD2 PRO 5 HD2 PRO 5 -7.755 -9.678 -2.591 29 HD3 PRO 5 HD3 PRO 5 -9.437 -9.432 -3.131 30 H LEU 6 HN LEU 6 -9.060 -14.125 -0.903 31 HA LEU 6 HA LEU 6 -6.137 -14.696 -0.946 32 HB2 LEU 6 HB2 LEU 6 -7.972 -14.605 1.480 33 HB3 LEU 6 HB3 LEU 6 -6.257 -14.962 1.437 34 HG LEU 6 HG LEU 6 -7.540 -12.279 1.248 35 HD11 LEU 6 HD11 LEU 6 -6.873 -13.341 3.404 36 HD12 LEU 6 HD12 LEU 6 -5.857 -11.925 3.059 37 HD13 LEU 6 HD13 LEU 6 -5.234 -13.578 2.781 38 HD21 LEU 6 HD21 LEU 6 -5.189 -11.427 0.821 39 HD22 LEU 6 HD22 LEU 6 -6.016 -12.097 -0.586 40 HD23 LEU 6 HD23 LEU 6 -4.771 -13.053 0.244 41 H VAL 7 HN VAL 7 -6.527 -16.648 1.211 42 HA VAL 7 HA VAL 7 -6.782 -18.762 1.617 43 HB VAL 7 HB VAL 7 -8.808 -19.158 -0.613 44 HG11 VAL 7 HG11 VAL 7 -9.759 -20.736 1.055 45 HG12 VAL 7 HG12 VAL 7 -8.112 -21.185 0.631 46 HG13 VAL 7 HG13 VAL 7 -8.423 -20.348 2.167 47 HG21 VAL 7 HG21 VAL 7 -10.582 -18.603 1.071 48 HG22 VAL 7 HG22 VAL 7 -9.317 -17.989 2.164 49 HG23 VAL 7 HG23 VAL 7 -9.667 -17.187 0.617 50 H THR 8 HN THR 8 -4.963 -17.536 -0.461 51 HA THR 8 HA THR 8 -3.920 -20.101 -1.477 52 HB THR 8 HB THR 8 -4.797 -17.958 -3.468 53 HG1 THR 8 HG1 THR 8 -6.106 -20.011 -2.362 54 HG21 THR 8 HG21 THR 8 -2.972 -19.054 -4.551 55 HG22 THR 8 HG22 THR 8 -4.407 -19.894 -5.144 56 HG23 THR 8 HG23 THR 8 -3.433 -20.639 -3.876 57 H ALA 9 HN ALA 9 -3.128 -17.505 0.088 58 HA ALA 9 HA ALA 9 -0.422 -17.224 -1.106 59 HB1 ALA 9 HB1 ALA 9 -0.676 -14.774 -1.236 60 HB2 ALA 9 HB2 ALA 9 -1.766 -15.619 -2.363 61 HB3 ALA 9 HB3 ALA 9 -2.400 -14.922 -0.851 62 H ARG 10 HN ARG 10 -0.572 -18.545 1.073 63 HA ARG 10 HA ARG 10 -0.365 -16.799 3.409 64 HB2 ARG 10 HB2 ARG 10 -1.107 -19.310 3.301 65 HB3 ARG 10 HB3 ARG 10 0.619 -19.654 3.241 66 HG2 ARG 10 HG2 ARG 10 0.223 -17.748 5.343 67 HG3 ARG 10 HG3 ARG 10 -1.084 -18.920 5.471 68 HD2 ARG 10 HD2 ARG 10 1.901 -19.557 5.409 69 HD3 ARG 10 HD3 ARG 10 0.899 -19.468 6.857 70 HE ARG 10 HE ARG 10 0.162 -21.348 4.685 71 HH11 ARG 10 HH11 ARG 10 1.271 -21.022 8.065 72 HH12 ARG 10 HH12 ARG 10 1.641 -22.710 8.224 73 HH21 ARG 10 HH21 ARG 10 0.027 -23.536 5.133 74 HH22 ARG 10 HH22 ARG 10 0.827 -24.209 6.515 75 H HIS 11 HN HIS 11 1.150 -15.522 1.790 76 HA HIS 11 HA HIS 11 3.561 -15.381 3.159 77 HB2 HIS 11 HB2 HIS 11 3.918 -17.160 1.057 78 HB3 HIS 11 HB3 HIS 11 4.279 -15.647 0.252 79 HD1 HIS 11 HD1 HIS 11 6.674 -14.546 0.902 80 HD2 HIS 11 HD2 HIS 11 5.435 -17.834 3.249 81 HE1 HIS 11 HE1 HIS 11 8.657 -15.195 2.337 82 H MET 12 HN MET 12 3.887 -13.104 3.164 83 HA MET 12 HA MET 12 2.887 -11.572 0.808 84 HB2 MET 12 HB2 MET 12 2.568 -10.917 3.753 85 HB3 MET 12 HB3 MET 12 2.422 -9.707 2.473 86 HG2 MET 12 HG2 MET 12 0.601 -11.017 1.414 87 HG3 MET 12 HG3 MET 12 0.721 -12.209 2.706 88 HE1 MET 12 HE1 MET 12 -1.877 -9.419 1.765 89 HE2 MET 12 HE2 MET 12 -1.312 -8.096 2.799 90 HE3 MET 12 HE3 MET 12 -0.257 -8.763 1.536 91 H SER 13 HN SER 13 3.983 -9.576 0.433 92 HA SER 13 HA SER 13 6.882 -9.737 0.729 93 HB2 SER 13 HB2 SER 13 5.296 -8.553 -1.097 94 HB3 SER 13 HB3 SER 13 5.476 -7.185 -0.005 95 HG SER 13 HG SER 13 7.213 -8.267 -1.768 96 H LYS 14 HN LYS 14 8.107 -7.855 1.646 97 HA LYS 14 HA LYS 14 7.725 -7.810 4.412 98 HB2 LYS 14 HB2 LYS 14 9.865 -7.309 3.164 99 HB3 LYS 14 HB3 LYS 14 9.217 -5.716 2.796 100 HG2 LYS 14 HG2 LYS 14 10.482 -5.219 4.674 101 HG3 LYS 14 HG3 LYS 14 8.954 -5.558 5.465 102 HD2 LYS 14 HD2 LYS 14 9.828 -8.003 5.712 103 HD3 LYS 14 HD3 LYS 14 11.397 -7.352 5.206 104 HE2 LYS 14 HE2 LYS 14 11.066 -5.614 7.130 105 HE3 LYS 14 HE3 LYS 14 9.742 -6.654 7.669 106 HZ1 LYS 14 HZ1 LYS 14 11.714 -7.287 8.829 107 HZ2 LYS 14 HZ2 LYS 14 12.612 -7.350 7.483 108 HZ3 LYS 14 HZ3 LYS 14 11.422 -8.483 7.764 109 H TRP 15 HN TRP 15 6.742 -5.247 2.052 110 HA TRP 15 HA TRP 15 5.581 -3.721 4.301 111 HB2 TRP 15 HB2 TRP 15 5.988 -2.722 1.491 112 HB3 TRP 15 HB3 TRP 15 5.784 -1.819 2.974 113 HD1 TRP 15 HD1 TRP 15 8.399 -3.505 0.873 114 HE1 TRP 15 HE1 TRP 15 10.717 -3.014 1.721 115 HE3 TRP 15 HE3 TRP 15 7.109 -1.112 5.236 116 HZ2 TRP 15 HZ2 TRP 15 11.885 -1.719 4.121 117 HZ3 TRP 15 HZ3 TRP 15 8.814 -0.396 6.800 118 HH2 TRP 15 HH2 TRP 15 11.251 -0.765 6.284 119 H GLU 16 HN GLU 16 4.378 -6.065 2.452 120 HA GLU 16 HA GLU 16 2.250 -4.853 0.997 121 HB2 GLU 16 HB2 GLU 16 3.074 -7.598 1.812 122 HB3 GLU 16 HB3 GLU 16 1.337 -7.393 1.763 123 HG2 GLU 16 HG2 GLU 16 1.697 -6.354 -0.577 124 HG3 GLU 16 HG3 GLU 16 3.299 -7.103 -0.505 125 H GLU 17 HN GLU 17 2.248 -6.199 4.353 126 HA GLU 17 HA GLU 17 -0.531 -5.461 4.764 127 HB2 GLU 17 HB2 GLU 17 1.754 -6.258 6.643 128 HB3 GLU 17 HB3 GLU 17 0.122 -5.855 7.175 129 HG2 GLU 17 HG2 GLU 17 -0.440 -7.728 5.225 130 HG3 GLU 17 HG3 GLU 17 1.102 -8.326 5.842 131 H ILE 18 HN ILE 18 2.631 -4.029 5.382 132 HA ILE 18 HA ILE 18 1.875 -1.976 7.185 133 HB ILE 18 HB ILE 18 4.142 -1.990 5.150 134 HG12 ILE 18 HG12 ILE 18 4.044 -2.928 8.059 135 HG13 ILE 18 HG13 ILE 18 4.145 -3.990 6.659 136 HG21 ILE 18 HG21 ILE 18 3.704 0.268 6.089 137 HG22 ILE 18 HG22 ILE 18 3.814 -0.393 7.732 138 HG23 ILE 18 HG23 ILE 18 5.232 -0.361 6.665 139 HD11 ILE 18 HD11 ILE 18 6.317 -2.090 7.576 140 HD12 ILE 18 HD12 ILE 18 6.326 -3.863 7.596 141 HD13 ILE 18 HD13 ILE 18 6.336 -3.016 6.059 142 H ALA 19 HN ALA 19 1.935 -2.054 3.617 143 HA ALA 19 HA ALA 19 0.935 0.564 3.205 144 HB1 ALA 19 HB1 ALA 19 0.446 -1.941 1.563 145 HB2 ALA 19 HB2 ALA 19 0.138 -0.263 1.042 146 HB3 ALA 19 HB3 ALA 19 1.796 -0.784 1.413 147 H VAL 20 HN VAL 20 -0.911 -2.451 3.937 148 HA VAL 20 HA VAL 20 -3.433 -1.272 3.153 149 HB VAL 20 HB VAL 20 -2.654 -3.807 4.673 150 HG11 VAL 20 HG11 VAL 20 -4.910 -3.220 5.496 151 HG12 VAL 20 HG12 VAL 20 -5.468 -2.943 3.834 152 HG13 VAL 20 HG13 VAL 20 -5.019 -4.572 4.378 153 HG21 VAL 20 HG21 VAL 20 -3.827 -3.301 1.910 154 HG22 VAL 20 HG22 VAL 20 -2.143 -3.774 2.271 155 HG23 VAL 20 HG23 VAL 20 -3.478 -4.883 2.633 156 H LYS 21 HN LYS 21 -1.844 -1.871 6.346 157 HA LYS 21 HA LYS 21 -4.024 -0.955 7.849 158 HB2 LYS 21 HB2 LYS 21 -2.403 -0.598 9.703 159 HB3 LYS 21 HB3 LYS 21 -2.458 -2.211 8.967 160 HG2 LYS 21 HG2 LYS 21 -0.530 -1.539 7.521 161 HG3 LYS 21 HG3 LYS 21 -0.401 -0.052 8.397 162 HD2 LYS 21 HD2 LYS 21 1.172 -1.455 9.364 163 HD3 LYS 21 HD3 LYS 21 -0.189 -1.543 10.501 164 HE2 LYS 21 HE2 LYS 21 -0.911 -3.670 9.217 165 HE3 LYS 21 HE3 LYS 21 0.649 -3.594 8.396 166 HZ1 LYS 21 HZ1 LYS 21 1.656 -3.632 10.673 167 HZ2 LYS 21 HZ2 LYS 21 0.827 -5.021 10.280 168 HZ3 LYS 21 HZ3 LYS 21 0.136 -3.919 11.278 169 H GLU 22 HN GLU 22 -1.182 0.964 6.649 170 HA GLU 22 HA GLU 22 -2.119 3.389 7.842 171 HB2 GLU 22 HB2 GLU 22 -0.403 3.121 5.381 172 HB3 GLU 22 HB3 GLU 22 -0.557 4.544 6.413 173 HG2 GLU 22 HG2 GLU 22 0.671 1.883 7.193 174 HG3 GLU 22 HG3 GLU 22 1.560 3.311 6.745 175 H ALA 23 HN ALA 23 -2.926 1.753 4.797 176 HA ALA 23 HA ALA 23 -4.380 3.922 3.603 177 HB1 ALA 23 HB1 ALA 23 -5.206 2.273 2.032 178 HB2 ALA 23 HB2 ALA 23 -3.486 1.977 2.316 179 HB3 ALA 23 HB3 ALA 23 -4.701 0.938 3.078 180 H LYS 24 HN LYS 24 -5.265 1.876 6.281 181 HA LYS 24 HA LYS 24 -8.075 2.890 5.943 182 HB2 LYS 24 HB2 LYS 24 -8.897 1.390 7.438 183 HB3 LYS 24 HB3 LYS 24 -7.958 0.498 6.247 184 HG2 LYS 24 HG2 LYS 24 -6.167 0.128 7.861 185 HG3 LYS 24 HG3 LYS 24 -6.924 1.286 8.968 186 HD2 LYS 24 HD2 LYS 24 -7.542 -0.799 9.863 187 HD3 LYS 24 HD3 LYS 24 -8.976 -0.295 8.946 188 HE2 LYS 24 HE2 LYS 24 -8.084 -1.684 7.002 189 HE3 LYS 24 HE3 LYS 24 -6.817 -2.250 8.087 190 HZ1 LYS 24 HZ1 LYS 24 -8.843 -2.938 9.551 191 HZ2 LYS 24 HZ2 LYS 24 -8.364 -3.851 8.264 192 HZ3 LYS 24 HZ3 LYS 24 -9.659 -2.893 8.096 193 H LYS 25 HN LYS 25 -5.154 3.103 7.952 194 HA LYS 25 HA LYS 25 -6.274 4.567 10.111 195 HB2 LYS 25 HB2 LYS 25 -3.496 4.676 8.857 196 HB3 LYS 25 HB3 LYS 25 -3.921 5.489 10.361 197 HG2 LYS 25 HG2 LYS 25 -4.423 3.448 11.475 198 HG3 LYS 25 HG3 LYS 25 -4.332 2.493 10.012 199 HD2 LYS 25 HD2 LYS 25 -2.050 2.409 9.980 200 HD3 LYS 25 HD3 LYS 25 -1.845 4.033 10.642 201 HE2 LYS 25 HE2 LYS 25 -2.862 1.673 12.278 202 HE3 LYS 25 HE3 LYS 25 -1.156 2.126 12.163 203 HZ1 LYS 25 HZ1 LYS 25 -1.728 4.296 13.013 204 HZ2 LYS 25 HZ2 LYS 25 -2.062 3.100 14.079 205 HZ3 LYS 25 HZ3 LYS 25 -3.296 3.797 13.280 206 H ARG 26 HN ARG 26 -4.750 5.789 7.089 207 HA ARG 26 HA ARG 26 -5.272 8.536 7.676 208 HB2 ARG 26 HB2 ARG 26 -3.572 7.512 6.057 209 HB3 ARG 26 HB3 ARG 26 -4.916 7.251 4.956 210 HG2 ARG 26 HG2 ARG 26 -4.427 9.272 4.130 211 HG3 ARG 26 HG3 ARG 26 -5.191 9.959 5.557 212 HD2 ARG 26 HD2 ARG 26 -3.106 10.225 6.691 213 HD3 ARG 26 HD3 ARG 26 -2.247 9.326 5.421 214 HE ARG 26 HE ARG 26 -3.724 11.614 4.388 215 HH11 ARG 26 HH11 ARG 26 -0.606 10.686 5.853 216 HH12 ARG 26 HH12 ARG 26 0.184 12.132 5.302 217 HH21 ARG 26 HH21 ARG 26 -2.685 13.348 3.597 218 HH22 ARG 26 HH22 ARG 26 -0.992 13.649 3.809 219 H TYR 27 HN TYR 27 -7.622 6.123 6.994 220 HA TYR 27 HA TYR 27 -9.441 8.078 5.774 221 HB2 TYR 27 HB2 TYR 27 -8.880 5.315 4.653 222 HB3 TYR 27 HB3 TYR 27 -10.208 6.373 4.188 223 HD1 TYR 27 HD1 TYR 27 -9.819 8.423 2.842 224 HD2 TYR 27 HD2 TYR 27 -6.663 5.650 3.785 225 HE1 TYR 27 HE1 TYR 27 -8.369 9.503 1.171 226 HE2 TYR 27 HE2 TYR 27 -5.277 6.588 1.995 227 HH TYR 27 HH TYR 27 -5.206 8.256 0.132 228 HA PRO 28 HA PRO 28 -11.208 5.599 9.218 229 HB2 PRO 28 HB2 PRO 28 -12.460 7.708 10.526 230 HB3 PRO 28 HB3 PRO 28 -10.788 7.147 10.821 231 HG2 PRO 28 HG2 PRO 28 -11.708 9.531 9.231 232 HG3 PRO 28 HG3 PRO 28 -10.202 9.300 10.196 233 HD2 PRO 28 HD2 PRO 28 -10.299 9.154 7.473 234 HD3 PRO 28 HD3 PRO 28 -9.063 8.394 8.514 235 H LEU 29 HN LEU 29 -12.734 7.969 6.980 236 HA LEU 29 HA LEU 29 -15.455 7.264 7.722 237 HB2 LEU 29 HB2 LEU 29 -14.324 8.745 5.333 238 HB3 LEU 29 HB3 LEU 29 -15.980 8.306 5.440 239 HG LEU 29 HG LEU 29 -15.476 10.611 6.053 240 HD11 LEU 29 HD11 LEU 29 -17.419 9.360 6.744 241 HD12 LEU 29 HD12 LEU 29 -17.017 10.659 7.885 242 HD13 LEU 29 HD13 LEU 29 -16.631 8.961 8.300 243 HD21 LEU 29 HD21 LEU 29 -13.315 10.308 7.239 244 HD22 LEU 29 HD22 LEU 29 -14.195 9.567 8.602 245 HD23 LEU 29 HD23 LEU 29 -14.479 11.264 8.151 246 H ALA 30 HN ALA 30 -13.326 6.608 5.003 247 HA ALA 30 HA ALA 30 -15.019 4.674 3.691 248 HB1 ALA 30 HB1 ALA 30 -13.141 4.618 2.136 249 HB2 ALA 30 HB2 ALA 30 -13.331 6.305 2.650 250 HB3 ALA 30 HB3 ALA 30 -12.070 5.333 3.380 251 H GLN 31 HN GLN 31 -14.183 2.391 3.253 252 HA GLN 31 HA GLN 31 -12.427 1.317 5.443 253 HB2 GLN 31 HB2 GLN 31 -14.706 -0.162 4.126 254 HB3 GLN 31 HB3 GLN 31 -13.620 -0.779 5.377 255 HG2 GLN 31 HG2 GLN 31 -15.804 1.283 5.629 256 HG3 GLN 31 HG3 GLN 31 -15.682 -0.282 6.424 257 HE21 GLN 31 HE21 GLN 31 -15.128 2.942 6.711 258 HE22 GLN 31 HE22 GLN 31 -14.132 3.061 8.138 259 H VAL 32 HN VAL 32 -10.763 0.080 4.758 260 HA VAL 32 HA VAL 32 -10.337 -0.226 1.875 261 HB VAL 32 HB VAL 32 -8.607 0.440 3.634 262 HG11 VAL 32 HG11 VAL 32 -8.328 -2.561 4.049 263 HG12 VAL 32 HG12 VAL 32 -7.319 -1.275 4.734 264 HG13 VAL 32 HG13 VAL 32 -9.020 -1.425 5.226 265 HG21 VAL 32 HG21 VAL 32 -7.859 -1.739 1.657 266 HG22 VAL 32 HG22 VAL 32 -8.065 -0.001 1.313 267 HG23 VAL 32 HG23 VAL 32 -6.774 -0.532 2.390 268 H LEU 33 HN LEU 33 -10.436 -2.116 0.666 269 HA LEU 33 HA LEU 33 -10.882 -4.750 1.829 270 HB2 LEU 33 HB2 LEU 33 -13.038 -4.794 0.302 271 HB3 LEU 33 HB3 LEU 33 -13.090 -4.428 1.976 272 HG LEU 33 HG LEU 33 -12.809 -1.962 0.383 273 HD11 LEU 33 HD11 LEU 33 -15.190 -3.773 -0.165 274 HD12 LEU 33 HD12 LEU 33 -13.970 -3.206 -1.342 275 HD13 LEU 33 HD13 LEU 33 -15.072 -2.042 -0.595 276 HD21 LEU 33 HD21 LEU 33 -15.044 -2.902 2.224 277 HD22 LEU 33 HD22 LEU 33 -14.673 -1.227 1.753 278 HD23 LEU 33 HD23 LEU 33 -13.560 -2.090 2.792 279 H PHE 34 HN PHE 34 -8.695 -3.758 0.239 280 HA PHE 34 HA PHE 34 -8.892 -5.592 -1.987 281 HB2 PHE 34 HB2 PHE 34 -9.608 -2.865 -2.444 282 HB3 PHE 34 HB3 PHE 34 -7.997 -3.047 -3.119 283 HD1 PHE 34 HD2 PHE 34 -7.603 -4.681 -4.999 284 HD2 PHE 34 HD1 PHE 34 -11.550 -3.876 -3.415 285 HE1 PHE 34 HE2 PHE 34 -8.627 -5.629 -7.046 286 HE2 PHE 34 HE1 PHE 34 -12.554 -4.762 -5.506 287 HZ PHE 34 HZ PHE 34 -11.087 -5.618 -7.328 288 H LYS 35 HN LYS 35 -6.776 -5.856 -3.038 289 HA LYS 35 HA LYS 35 -4.466 -4.365 -2.015 290 HB2 LYS 35 HB2 LYS 35 -4.930 -7.313 -1.455 291 HB3 LYS 35 HB3 LYS 35 -3.332 -6.812 -1.876 292 HG2 LYS 35 HG2 LYS 35 -3.974 -4.947 0.076 293 HG3 LYS 35 HG3 LYS 35 -4.784 -6.402 0.626 294 HD2 LYS 35 HD2 LYS 35 -2.654 -6.578 1.575 295 HD3 LYS 35 HD3 LYS 35 -2.504 -7.618 0.179 296 HE2 LYS 35 HE2 LYS 35 -1.772 -4.665 -0.010 297 HE3 LYS 35 HE3 LYS 35 -0.675 -5.779 0.796 298 HZ1 LYS 35 HZ1 LYS 35 -1.540 -6.171 -2.019 299 HZ2 LYS 35 HZ2 LYS 35 -0.465 -7.056 -1.178 300 HZ3 LYS 35 HZ3 LYS 35 -0.115 -5.500 -1.537 301 H GLN 36 HN GLN 36 -3.953 -3.532 -4.088 302 HA GLN 36 HA GLN 36 -3.452 -5.542 -6.212 303 HB2 GLN 36 HB2 GLN 36 -5.132 -3.216 -6.159 304 HB3 GLN 36 HB3 GLN 36 -3.762 -2.830 -7.195 305 HG2 GLN 36 HG2 GLN 36 -4.193 -4.841 -8.537 306 HG3 GLN 36 HG3 GLN 36 -5.491 -5.332 -7.429 307 HE21 GLN 36 HE21 GLN 36 -4.511 -2.762 -9.730 308 HE22 GLN 36 HE22 GLN 36 -6.152 -2.262 -10.135 309 H LYS 37 HN LYS 37 -1.772 -4.720 -7.808 310 HA LYS 37 HA LYS 37 0.632 -4.069 -6.178 311 HB2 LYS 37 HB2 LYS 37 1.926 -5.250 -7.816 312 HB3 LYS 37 HB3 LYS 37 0.643 -6.279 -7.214 313 HG2 LYS 37 HG2 LYS 37 0.134 -4.760 -9.763 314 HG3 LYS 37 HG3 LYS 37 1.296 -6.067 -9.826 315 HD2 LYS 37 HD2 LYS 37 -1.351 -6.670 -8.540 316 HD3 LYS 37 HD3 LYS 37 -1.352 -6.366 -10.266 317 HE2 LYS 37 HE2 LYS 37 -1.172 -8.763 -9.799 318 HE3 LYS 37 HE3 LYS 37 0.212 -8.152 -10.704 319 HZ1 LYS 37 HZ1 LYS 37 0.251 -8.638 -7.786 320 HZ2 LYS 37 HZ2 LYS 37 1.544 -8.244 -8.783 321 HZ3 LYS 37 HZ3 LYS 37 0.813 -9.672 -8.950 322 H VAL 38 HN VAL 38 2.470 -2.929 -7.370 323 HA VAL 38 HA VAL 38 1.634 -0.974 -9.365 324 HB VAL 38 HB VAL 38 2.923 0.094 -6.855 325 HG11 VAL 38 HG11 VAL 38 2.716 1.503 -8.984 326 HG12 VAL 38 HG12 VAL 38 0.969 1.362 -8.841 327 HG13 VAL 38 HG13 VAL 38 1.911 2.181 -7.570 328 HG21 VAL 38 HG21 VAL 38 0.866 -0.915 -5.997 329 HG22 VAL 38 HG22 VAL 38 0.735 0.846 -6.001 330 HG23 VAL 38 HG23 VAL 38 -0.081 -0.117 -7.261 331 H TRP 39 HN TRP 39 4.186 0.572 -8.933 332 HA TRP 39 HA TRP 39 5.893 -1.315 -10.412 333 HB2 TRP 39 HB2 TRP 39 5.444 0.764 -11.472 334 HB3 TRP 39 HB3 TRP 39 5.776 1.682 -10.018 335 HD1 TRP 39 HD1 TRP 39 7.711 -0.406 -12.631 336 HE1 TRP 39 HE1 TRP 39 10.114 0.554 -12.805 337 HE3 TRP 39 HE3 TRP 39 7.605 2.902 -8.744 338 HZ2 TRP 39 HZ2 TRP 39 11.504 2.832 -11.837 339 HZ3 TRP 39 HZ3 TRP 39 9.551 4.373 -8.308 340 HH2 TRP 39 HH2 TRP 39 11.498 4.391 -9.873 341 H ASP 40 HN ASP 40 6.959 -2.597 -9.004 342 HA ASP 40 HA ASP 40 8.177 -1.631 -6.514 343 HB2 ASP 40 HB2 ASP 40 8.454 -4.224 -8.111 344 HB3 ASP 40 HB3 ASP 40 9.300 -3.885 -6.604 345 H ARG 41 HN ARG 41 10.260 -0.645 -6.494 346 HA ARG 41 HA ARG 41 12.192 -1.563 -8.482 347 HB2 ARG 41 HB2 ARG 41 10.852 0.540 -9.348 348 HB3 ARG 41 HB3 ARG 41 11.895 1.465 -8.283 349 HG2 ARG 41 HG2 ARG 41 13.184 -0.537 -10.132 350 HG3 ARG 41 HG3 ARG 41 12.429 0.836 -10.893 351 HD2 ARG 41 HD2 ARG 41 14.290 1.384 -8.608 352 HD3 ARG 41 HD3 ARG 41 14.990 0.780 -10.121 353 HE ARG 41 HE ARG 41 14.109 3.427 -9.546 354 HH11 ARG 41 HH11 ARG 41 14.543 1.182 -12.309 355 HH12 ARG 41 HH12 ARG 41 14.289 2.440 -13.470 356 HH21 ARG 41 HH21 ARG 41 13.956 4.990 -11.036 357 HH22 ARG 41 HH22 ARG 41 13.685 4.579 -12.729 358 H LYS 42 HN LYS 42 14.488 -0.677 -7.915 359 HA LYS 42 HA LYS 42 14.710 0.044 -5.039 360 HB2 LYS 42 HB2 LYS 42 14.899 -2.379 -5.404 361 HB3 LYS 42 HB3 LYS 42 16.341 -2.082 -6.407 362 HG2 LYS 42 HG2 LYS 42 17.602 -1.305 -4.583 363 HG3 LYS 42 HG3 LYS 42 16.186 -0.975 -3.586 364 HD2 LYS 42 HD2 LYS 42 16.783 -3.767 -4.526 365 HD3 LYS 42 HD3 LYS 42 17.618 -3.096 -3.115 366 HE2 LYS 42 HE2 LYS 42 15.594 -2.781 -1.893 367 HE3 LYS 42 HE3 LYS 42 14.593 -3.095 -3.320 368 HZ1 LYS 42 HZ1 LYS 42 15.246 -5.339 -3.315 369 HZ2 LYS 42 HZ2 LYS 42 14.760 -5.020 -1.789 370 HZ3 LYS 42 HZ3 LYS 42 16.377 -5.158 -2.169 371 H ARG 43 HN ARG 43 16.820 1.037 -4.540 372 HA ARG 43 HA ARG 43 18.210 2.200 -6.863 373 HB2 ARG 43 HB2 ARG 43 17.389 3.835 -4.416 374 HB3 ARG 43 HB3 ARG 43 18.423 4.345 -5.730 375 HG2 ARG 43 HG2 ARG 43 16.441 5.359 -6.208 376 HG3 ARG 43 HG3 ARG 43 16.488 3.989 -7.325 377 HD2 ARG 43 HD2 ARG 43 14.862 2.790 -6.055 378 HD3 ARG 43 HD3 ARG 43 15.023 3.870 -4.669 379 HE ARG 43 HE ARG 43 13.860 4.611 -7.332 380 HH11 ARG 43 HH11 ARG 43 14.245 5.444 -3.920 381 HH12 ARG 43 HH12 ARG 43 13.188 6.798 -4.029 382 HH21 ARG 43 HH21 ARG 43 12.362 6.330 -7.399 383 HH22 ARG 43 HH22 ARG 43 12.225 7.357 -6.046 384 H LYS 44 HN LYS 44 20.264 3.424 -5.717 385 HA LYS 44 HA LYS 44 21.901 1.337 -4.661 386 HB2 LYS 44 HB2 LYS 44 22.323 4.371 -4.526 387 HB3 LYS 44 HB3 LYS 44 23.525 3.132 -4.178 388 HG2 LYS 44 HG2 LYS 44 24.132 3.299 -6.333 389 HG3 LYS 44 HG3 LYS 44 22.739 2.307 -6.660 390 HD2 LYS 44 HD2 LYS 44 22.302 3.919 -8.152 391 HD3 LYS 44 HD3 LYS 44 21.521 4.747 -6.812 392 HE2 LYS 44 HE2 LYS 44 24.484 5.138 -7.391 393 HE3 LYS 44 HE3 LYS 44 23.289 5.907 -8.440 394 HZ1 LYS 44 HZ1 LYS 44 23.446 6.410 -5.520 395 HZ2 LYS 44 HZ2 LYS 44 22.450 7.155 -6.602 396 HZ3 LYS 44 HZ3 LYS 44 24.046 7.359 -6.711 397 H ASP 45 HN ASP 45 20.155 3.996 -2.984 398 HA ASP 45 HA ASP 45 20.632 2.753 -0.368 399 HB2 ASP 45 HB2 ASP 45 21.230 5.087 0.339 400 HB3 ASP 45 HB3 ASP 45 22.386 4.290 -0.713 401 H GLU 46 HN GLU 46 18.215 3.214 -2.326 402 HA GLU 46 HA GLU 46 16.393 3.612 -0.150 403 HB2 GLU 46 HB2 GLU 46 16.779 5.933 -1.321 404 HB3 GLU 46 HB3 GLU 46 15.795 5.245 -2.624 405 HG2 GLU 46 HG2 GLU 46 13.948 4.867 -0.983 406 HG3 GLU 46 HG3 GLU 46 14.949 5.591 0.285 407 H ALA 47 HN ALA 47 14.079 2.976 -1.090 408 HA ALA 47 HA ALA 47 13.994 1.471 -3.596 409 HB1 ALA 47 HB1 ALA 47 13.454 -0.640 -2.469 410 HB2 ALA 47 HB2 ALA 47 15.067 -0.098 -1.936 411 HB3 ALA 47 HB3 ALA 47 13.683 0.145 -0.879 412 H VAL 48 HN VAL 48 11.757 0.696 -4.007 413 HA VAL 48 HA VAL 48 9.641 1.970 -2.406 414 HB VAL 48 HB VAL 48 8.719 2.864 -4.602 415 HG11 VAL 48 HG11 VAL 48 11.256 4.215 -3.619 416 HG12 VAL 48 HG12 VAL 48 9.886 4.971 -4.455 417 HG13 VAL 48 HG13 VAL 48 9.668 4.304 -2.825 418 HG21 VAL 48 HG21 VAL 48 10.309 3.508 -6.364 419 HG22 VAL 48 HG22 VAL 48 11.610 2.608 -5.574 420 HG23 VAL 48 HG23 VAL 48 10.189 1.760 -6.242 421 H LYS 49 HN LYS 49 7.986 0.566 -2.204 422 HA LYS 49 HA LYS 49 7.175 -1.130 -4.462 423 HB2 LYS 49 HB2 LYS 49 7.499 -2.331 -1.668 424 HB3 LYS 49 HB3 LYS 49 6.809 -3.115 -3.073 425 HG2 LYS 49 HG2 LYS 49 8.985 -3.304 -4.124 426 HG3 LYS 49 HG3 LYS 49 9.691 -2.170 -3.012 427 HD2 LYS 49 HD2 LYS 49 10.456 -4.310 -2.384 428 HD3 LYS 49 HD3 LYS 49 9.430 -3.654 -1.129 429 HE2 LYS 49 HE2 LYS 49 8.913 -5.928 -1.269 430 HE3 LYS 49 HE3 LYS 49 7.539 -5.086 -1.987 431 HZ1 LYS 49 HZ1 LYS 49 9.681 -6.341 -3.597 432 HZ2 LYS 49 HZ2 LYS 49 8.303 -5.656 -4.163 433 HZ3 LYS 49 HZ3 LYS 49 8.230 -7.034 -3.287 434 H GLN 50 HN GLN 50 5.639 0.681 -4.533 435 HA GLN 50 HA GLN 50 3.933 1.166 -2.216 436 HB2 GLN 50 HB2 GLN 50 3.683 1.956 -5.167 437 HB3 GLN 50 HB3 GLN 50 2.557 2.421 -3.900 438 HG2 GLN 50 HG2 GLN 50 3.786 4.230 -3.598 439 HG3 GLN 50 HG3 GLN 50 4.921 3.183 -2.732 440 HE21 GLN 50 HE21 GLN 50 5.168 5.702 -4.477 441 HE22 GLN 50 HE22 GLN 50 6.447 5.345 -5.590 442 H TYR 51 HN TYR 51 1.592 0.830 -2.355 443 HA TYR 51 HA TYR 51 0.741 -1.442 -4.036 444 HB2 TYR 51 HB2 TYR 51 0.087 -1.144 -1.106 445 HB3 TYR 51 HB3 TYR 51 -0.767 -2.209 -2.226 446 HD1 TYR 51 HD1 TYR 51 0.439 -4.081 -3.389 447 HD2 TYR 51 HD2 TYR 51 2.414 -1.634 -0.444 448 HE1 TYR 51 HE1 TYR 51 2.381 -5.608 -3.410 449 HE2 TYR 51 HE2 TYR 51 4.337 -3.124 -0.457 450 HH TYR 51 HH TYR 51 4.732 -5.497 -2.986 451 H HIS 52 HN HIS 52 -1.475 -1.295 -4.605 452 HA HIS 52 HA HIS 52 -2.692 1.397 -4.391 453 HB2 HIS 52 HB2 HIS 52 -1.879 0.924 -6.682 454 HB3 HIS 52 HB3 HIS 52 -2.811 -0.574 -6.720 455 HD1 HIS 52 HD1 HIS 52 -4.326 2.767 -5.445 456 HD2 HIS 52 HD2 HIS 52 -4.135 0.322 -8.879 457 HE1 HIS 52 HE1 HIS 52 -5.851 3.823 -7.179 458 H LEU 53 HN LEU 53 -4.458 1.165 -3.062 459 HA LEU 53 HA LEU 53 -5.757 -1.486 -2.858 460 HB2 LEU 53 HB2 LEU 53 -5.597 0.799 -0.875 461 HB3 LEU 53 HB3 LEU 53 -6.310 -0.782 -0.595 462 HG LEU 53 HG LEU 53 -4.400 -0.660 0.630 463 HD11 LEU 53 HD11 LEU 53 -4.428 -2.783 -0.493 464 HD12 LEU 53 HD12 LEU 53 -2.759 -2.290 -0.197 465 HD13 LEU 53 HD13 LEU 53 -3.447 -2.143 -1.835 466 HD21 LEU 53 HD21 LEU 53 -2.576 0.283 -1.557 467 HD22 LEU 53 HD22 LEU 53 -2.263 0.110 0.187 468 HD23 LEU 53 HD23 LEU 53 -3.401 1.334 -0.388 469 H THR 54 HN THR 54 -8.180 -1.168 -2.438 470 HA THR 54 HA THR 54 -9.266 1.323 -3.580 471 HB THR 54 HB THR 54 -9.920 -1.479 -4.319 472 HG1 THR 54 HG1 THR 54 -9.385 -0.797 -6.224 473 HG21 THR 54 HG21 THR 54 -12.133 -0.865 -3.911 474 HG22 THR 54 HG22 THR 54 -11.912 -0.532 -5.624 475 HG23 THR 54 HG23 THR 54 -11.892 0.813 -4.461 476 H LEU 55 HN LEU 55 -10.197 2.255 -2.184 477 HA LEU 55 HA LEU 55 -11.432 1.154 0.286 478 HB2 LEU 55 HB2 LEU 55 -10.635 3.984 -0.510 479 HB3 LEU 55 HB3 LEU 55 -11.735 3.685 0.778 480 HG LEU 55 HG LEU 55 -9.454 1.960 1.159 481 HD11 LEU 55 HD11 LEU 55 -8.687 4.889 1.364 482 HD12 LEU 55 HD12 LEU 55 -8.370 3.994 -0.084 483 HD13 LEU 55 HD13 LEU 55 -7.661 3.456 1.469 484 HD21 LEU 55 HD21 LEU 55 -10.196 4.307 2.848 485 HD22 LEU 55 HD22 LEU 55 -9.377 2.808 3.325 486 HD23 LEU 55 HD23 LEU 55 -11.116 2.799 2.878 487 H ARG 56 HN ARG 56 -13.537 1.552 0.775 488 HA ARG 56 HA ARG 56 -15.328 2.667 -1.326 489 HB2 ARG 56 HB2 ARG 56 -15.744 0.295 -1.034 490 HB3 ARG 56 HB3 ARG 56 -15.739 0.460 0.726 491 HG2 ARG 56 HG2 ARG 56 -17.774 1.702 0.736 492 HG3 ARG 56 HG3 ARG 56 -17.780 1.880 -1.024 493 HD2 ARG 56 HD2 ARG 56 -18.392 -0.317 -1.413 494 HD3 ARG 56 HD3 ARG 56 -17.762 -0.902 0.132 495 HE ARG 56 HE ARG 56 -20.287 0.560 -0.367 496 HH11 ARG 56 HH11 ARG 56 -18.162 -1.021 1.997 497 HH12 ARG 56 HH12 ARG 56 -19.299 -0.923 3.310 498 HH21 ARG 56 HH21 ARG 56 -21.813 0.607 1.354 499 HH22 ARG 56 HH22 ARG 56 -21.553 -0.242 2.821 500 H GLU 57 HN GLU 57 -16.565 4.429 -0.602 501 HA GLU 57 HA GLU 57 -16.651 4.926 2.331 502 HB2 GLU 57 HB2 GLU 57 -15.010 6.475 1.263 503 HB3 GLU 57 HB3 GLU 57 -16.322 7.159 0.298 504 HG2 GLU 57 HG2 GLU 57 -17.520 7.835 2.285 505 HG3 GLU 57 HG3 GLU 57 -16.374 6.994 3.347 506 H GLY 58 HN GLY 58 -18.594 4.071 2.598 507 HA2 GLY 58 HA1 GLY 58 -20.851 4.153 2.804 508 HA3 GLY 58 HA2 GLY 58 -20.824 5.700 1.937 509 H SER 59 HN SER 59 -20.638 5.599 -0.373 510 HA SER 59 HA SER 59 -21.953 3.296 -1.709 511 HB2 SER 59 HB2 SER 59 -23.684 5.039 -2.566 512 HB3 SER 59 HB3 SER 59 -23.850 4.309 -0.984 513 HG SER 59 HG SER 59 -23.044 6.950 -1.611 514 H LYS 60 HN LYS 60 -19.274 4.529 -1.803 515 HA LYS 60 HA LYS 60 -19.028 4.936 -4.718 516 HB2 LYS 60 HB2 LYS 60 -19.112 7.167 -3.775 517 HB3 LYS 60 HB3 LYS 60 -18.006 6.733 -2.467 518 HG2 LYS 60 HG2 LYS 60 -16.142 6.604 -4.000 519 HG3 LYS 60 HG3 LYS 60 -17.213 6.717 -5.384 520 HD2 LYS 60 HD2 LYS 60 -16.253 8.905 -5.090 521 HD3 LYS 60 HD3 LYS 60 -17.910 9.029 -4.484 522 HE2 LYS 60 HE2 LYS 60 -16.870 8.541 -2.156 523 HE3 LYS 60 HE3 LYS 60 -15.297 8.768 -2.927 524 HZ1 LYS 60 HZ1 LYS 60 -15.989 10.987 -3.546 525 HZ2 LYS 60 HZ2 LYS 60 -16.019 10.776 -1.943 526 HZ3 LYS 60 HZ3 LYS 60 -17.446 10.788 -2.756 527 H GLU 61 HN GLU 61 -16.947 4.268 -5.425 528 HA GLU 61 HA GLU 61 -15.009 3.162 -3.493 529 HB2 GLU 61 HB2 GLU 61 -16.368 1.653 -5.742 530 HB3 GLU 61 HB3 GLU 61 -14.674 1.313 -5.382 531 HG2 GLU 61 HG2 GLU 61 -15.089 0.458 -3.286 532 HG3 GLU 61 HG3 GLU 61 -16.583 1.359 -3.067 533 H PHE 62 HN PHE 62 -12.923 3.474 -4.132 534 HA PHE 62 HA PHE 62 -12.176 4.844 -6.625 535 HB2 PHE 62 HB2 PHE 62 -11.175 6.713 -5.274 536 HB3 PHE 62 HB3 PHE 62 -12.919 6.737 -5.387 537 HD1 PHE 62 HD1 PHE 62 -14.293 5.803 -3.424 538 HD2 PHE 62 HD2 PHE 62 -10.123 6.931 -3.020 539 HE1 PHE 62 HE1 PHE 62 -14.618 6.168 -1.019 540 HE2 PHE 62 HE2 PHE 62 -10.483 7.308 -0.636 541 HZ PHE 62 HZ PHE 62 -12.760 6.917 0.377 542 H GLY 63 HN GLY 63 -9.668 5.260 -6.397 543 HA2 GLY 63 HA1 GLY 63 -8.452 2.954 -4.916 544 HA3 GLY 63 HA2 GLY 63 -7.827 3.673 -6.379 545 H VAL 64 HN VAL 64 -6.624 3.402 -3.573 546 HA VAL 64 HA VAL 64 -5.417 6.126 -3.871 547 HB VAL 64 HB VAL 64 -4.972 6.214 -1.524 548 HG11 VAL 64 HG11 VAL 64 -7.936 5.642 -1.752 549 HG12 VAL 64 HG12 VAL 64 -7.138 6.720 -0.632 550 HG13 VAL 64 HG13 VAL 64 -7.197 7.100 -2.358 551 HG21 VAL 64 HG21 VAL 64 -4.735 3.926 -0.864 552 HG22 VAL 64 HG22 VAL 64 -6.001 4.697 0.113 553 HG23 VAL 64 HG23 VAL 64 -6.443 3.635 -1.241 554 H PHE 65 HN PHE 65 -3.100 6.205 -3.022 555 HA PHE 65 HA PHE 65 -1.650 3.681 -3.670 556 HB2 PHE 65 HB2 PHE 65 -1.105 6.524 -4.639 557 HB3 PHE 65 HB3 PHE 65 0.059 5.202 -4.718 558 HD1 PHE 65 HD1 PHE 65 -0.227 3.290 -6.216 559 HD2 PHE 65 HD2 PHE 65 -2.976 6.614 -6.218 560 HE1 PHE 65 HE1 PHE 65 -1.036 2.634 -8.492 561 HE2 PHE 65 HE2 PHE 65 -3.777 5.941 -8.462 562 HZ PHE 65 HZ PHE 65 -2.785 3.976 -9.610 563 H VAL 66 HN VAL 66 -0.158 3.134 -2.169 564 HA VAL 66 HA VAL 66 0.343 5.076 0.045 565 HB VAL 66 HB VAL 66 0.390 2.037 0.007 566 HG11 VAL 66 HG11 VAL 66 0.442 2.569 2.614 567 HG12 VAL 66 HG12 VAL 66 1.939 2.506 1.674 568 HG13 VAL 66 HG13 VAL 66 1.229 4.065 2.094 569 HG21 VAL 66 HG21 VAL 66 -1.540 3.997 1.326 570 HG22 VAL 66 HG22 VAL 66 -1.888 3.000 -0.094 571 HG23 VAL 66 HG23 VAL 66 -1.549 2.223 1.454 572 H THR 67 HN THR 67 2.225 6.094 -0.141 573 HA THR 67 HA THR 67 4.502 4.962 -1.578 574 HB THR 67 HB THR 67 3.987 7.562 -0.118 575 HG1 THR 67 HG1 THR 67 4.710 7.835 -2.649 576 HG21 THR 67 HG21 THR 67 6.373 7.055 0.165 577 HG22 THR 67 HG22 THR 67 6.172 8.300 -1.056 578 HG23 THR 67 HG23 THR 67 6.517 6.633 -1.560 579 H ILE 68 HN ILE 68 5.936 3.678 -0.609 580 HA ILE 68 HA ILE 68 6.645 4.183 2.218 581 HB ILE 68 HB ILE 68 6.378 1.469 0.892 582 HG12 ILE 68 HG12 ILE 68 4.833 2.586 3.265 583 HG13 ILE 68 HG13 ILE 68 4.208 2.409 1.627 584 HG21 ILE 68 HG21 ILE 68 8.376 1.632 2.381 585 HG22 ILE 68 HG22 ILE 68 7.342 2.187 3.710 586 HG23 ILE 68 HG23 ILE 68 7.174 0.544 3.069 587 HD11 ILE 68 HD11 ILE 68 4.941 0.195 3.536 588 HD12 ILE 68 HD12 ILE 68 3.381 0.550 2.788 589 HD13 ILE 68 HD13 ILE 68 4.690 -0.075 1.781 590 H SER 69 HN SER 69 8.421 5.350 1.718 591 HA SER 69 HA SER 69 10.378 4.461 -0.340 592 HB2 SER 69 HB2 SER 69 9.960 6.949 1.325 593 HB3 SER 69 HB3 SER 69 11.619 6.429 0.990 594 HG SER 69 HG SER 69 11.455 7.112 -0.875 595 H PHE 70 HN PHE 70 11.815 2.944 0.349 596 HA PHE 70 HA PHE 70 12.469 2.823 3.224 597 HB2 PHE 70 HB2 PHE 70 12.035 0.536 3.435 598 HB3 PHE 70 HB3 PHE 70 10.601 1.208 2.718 599 HD1 PHE 70 HD2 PHE 70 10.149 0.803 0.247 600 HD2 PHE 70 HD1 PHE 70 13.440 -1.077 2.293 601 HE1 PHE 70 HE2 PHE 70 10.341 -0.836 -1.549 602 HE2 PHE 70 HE1 PHE 70 13.586 -2.792 0.499 603 HZ PHE 70 HZ PHE 70 11.995 -2.713 -1.417 604 H ASP 71 HN ASP 71 14.192 0.865 3.345 605 HA ASP 71 HA ASP 71 16.349 1.959 1.619 606 HB2 ASP 71 HB2 ASP 71 15.970 2.066 4.281 607 HB3 ASP 71 HB3 ASP 71 16.823 0.527 4.206 608 HA PRO 72 HA PRO 72 16.941 -2.165 0.048 609 HB2 PRO 72 HB2 PRO 72 19.303 -1.919 -1.310 610 HB3 PRO 72 HB3 PRO 72 17.794 -1.092 -1.807 611 HG2 PRO 72 HG2 PRO 72 20.091 0.048 -0.198 612 HG3 PRO 72 HG3 PRO 72 19.278 0.743 -1.639 613 HD2 PRO 72 HD2 PRO 72 18.564 1.502 0.866 614 HD3 PRO 72 HD3 PRO 72 17.352 1.297 -0.423 615 H TYR 73 HN TYR 73 19.396 -0.734 2.147 616 HA TYR 73 HA TYR 73 21.221 -2.822 2.333 617 HB2 TYR 73 HB2 TYR 73 20.362 -0.627 4.211 618 HB3 TYR 73 HB3 TYR 73 21.554 -1.806 4.718 619 HD1 TYR 73 HD1 TYR 73 20.898 0.704 1.941 620 HD2 TYR 73 HD2 TYR 73 23.813 -1.451 4.309 621 HE1 TYR 73 HE1 TYR 73 22.724 1.987 0.880 622 HE2 TYR 73 HE2 TYR 73 25.608 -0.125 3.302 623 HH TYR 73 HH TYR 73 26.151 1.286 1.623 624 H SER 74 HN SER 74 18.445 -2.191 4.598 625 HA SER 74 HA SER 74 18.232 -5.100 5.091 626 HB2 SER 74 HB2 SER 74 19.753 -3.358 6.795 627 HB3 SER 74 HB3 SER 74 18.309 -3.849 7.679 628 HG SER 74 HG SER 74 20.439 -5.194 7.475 629 H GLN 75 HN GLN 75 16.594 -2.474 4.252 630 HA GLN 75 HA GLN 75 14.489 -1.679 4.461 631 HB2 GLN 75 HB2 GLN 75 13.935 -4.466 5.597 632 HB3 GLN 75 HB3 GLN 75 12.730 -3.227 5.514 633 HG2 GLN 75 HG2 GLN 75 12.372 -4.526 3.634 634 HG3 GLN 75 HG3 GLN 75 13.121 -3.081 3.022 635 HE21 GLN 75 HE21 GLN 75 15.430 -3.176 2.245 636 HE22 GLN 75 HE22 GLN 75 15.986 -4.793 1.771 637 H LYS 76 HN LYS 76 15.862 -0.225 5.845 638 HA LYS 76 HA LYS 76 14.149 0.179 8.222 639 HB2 LYS 76 HB2 LYS 76 16.276 1.939 6.889 640 HB3 LYS 76 HB3 LYS 76 15.119 2.508 8.095 641 HG2 LYS 76 HG2 LYS 76 16.029 0.428 9.482 642 HG3 LYS 76 HG3 LYS 76 17.430 0.608 8.440 643 HD2 LYS 76 HD2 LYS 76 17.836 2.864 9.276 644 HD3 LYS 76 HD3 LYS 76 16.291 2.882 10.141 645 HE2 LYS 76 HE2 LYS 76 17.073 0.911 11.507 646 HE3 LYS 76 HE3 LYS 76 18.644 1.037 10.701 647 HZ1 LYS 76 HZ1 LYS 76 18.663 2.132 12.839 648 HZ2 LYS 76 HZ2 LYS 76 17.445 3.139 12.405 649 HZ3 LYS 76 HZ3 LYS 76 18.898 3.233 11.648 650 H VAL 77 HN VAL 77 12.405 1.726 7.858 651 HA VAL 77 HA VAL 77 11.791 2.406 5.059 652 HB VAL 77 HB VAL 77 10.016 1.482 6.092 653 HG11 VAL 77 HG11 VAL 77 10.522 1.456 8.413 654 HG12 VAL 77 HG12 VAL 77 10.277 3.220 8.529 655 HG13 VAL 77 HG13 VAL 77 8.916 2.118 8.145 656 HG21 VAL 77 HG21 VAL 77 9.466 3.501 4.795 657 HG22 VAL 77 HG22 VAL 77 8.288 3.141 6.050 658 HG23 VAL 77 HG23 VAL 77 9.461 4.451 6.304 659 H ASN 78 HN ASN 78 11.732 4.541 4.442 660 HA ASN 78 HA ASN 78 13.530 6.309 6.019 661 HB2 ASN 78 HB2 ASN 78 12.958 6.114 3.028 662 HB3 ASN 78 HB3 ASN 78 13.751 7.496 3.776 663 HD21 ASN 78 HD21 ASN 78 14.568 4.460 2.334 664 HD22 ASN 78 HD22 ASN 78 16.083 4.347 3.210 665 H LYS 79 HN LYS 79 10.509 6.240 4.047 666 HA LYS 79 HA LYS 79 9.165 7.775 6.099 667 HB2 LYS 79 HB2 LYS 79 9.381 8.924 3.288 668 HB3 LYS 79 HB3 LYS 79 8.121 9.358 4.440 669 HG2 LYS 79 HG2 LYS 79 10.042 10.117 6.009 670 HG3 LYS 79 HG3 LYS 79 11.047 10.092 4.537 671 HD2 LYS 79 HD2 LYS 79 9.205 11.546 3.449 672 HD3 LYS 79 HD3 LYS 79 8.474 11.652 5.044 673 HE2 LYS 79 HE2 LYS 79 9.624 13.658 4.728 674 HE3 LYS 79 HE3 LYS 79 10.624 12.733 5.856 675 HZ1 LYS 79 HZ1 LYS 79 11.780 13.889 4.024 676 HZ2 LYS 79 HZ2 LYS 79 11.138 12.849 2.931 677 HZ3 LYS 79 HZ3 LYS 79 12.156 12.303 4.145 678 H ILE 80 HN ILE 80 6.876 7.654 5.838 679 HA ILE 80 HA ILE 80 5.849 6.022 3.583 680 HB ILE 80 HB ILE 80 4.740 6.181 6.418 681 HG12 ILE 80 HG12 ILE 80 6.142 3.935 4.914 682 HG13 ILE 80 HG13 ILE 80 6.698 4.773 6.367 683 HG21 ILE 80 HG21 ILE 80 3.023 4.619 5.693 684 HG22 ILE 80 HG22 ILE 80 2.947 6.046 4.688 685 HG23 ILE 80 HG23 ILE 80 3.697 4.570 4.048 686 HD11 ILE 80 HD11 ILE 80 5.941 2.639 7.051 687 HD12 ILE 80 HD12 ILE 80 4.729 3.814 7.612 688 HD13 ILE 80 HD13 ILE 80 4.414 2.802 6.178 689 H ALA 81 HN ALA 81 4.163 7.034 2.493 690 HA ALA 81 HA ALA 81 2.939 9.477 3.559 691 HB1 ALA 81 HB1 ALA 81 4.498 9.368 0.943 692 HB2 ALA 81 HB2 ALA 81 3.172 10.507 1.199 693 HB3 ALA 81 HB3 ALA 81 4.586 10.558 2.255 694 H ILE 82 HN ILE 82 0.932 9.956 2.228 695 HA ILE 82 HA ILE 82 -0.227 7.438 1.120 696 HB ILE 82 HB ILE 82 -1.505 9.233 3.161 697 HG12 ILE 82 HG12 ILE 82 0.153 7.604 4.104 698 HG13 ILE 82 HG13 ILE 82 -1.497 7.360 4.613 699 HG21 ILE 82 HG21 ILE 82 -3.218 8.564 1.621 700 HG22 ILE 82 HG22 ILE 82 -2.616 6.898 1.542 701 HG23 ILE 82 HG23 ILE 82 -3.365 7.508 3.031 702 HD11 ILE 82 HD11 ILE 82 -0.228 5.681 2.459 703 HD12 ILE 82 HD12 ILE 82 -0.221 5.252 4.178 704 HD13 ILE 82 HD13 ILE 82 -1.760 5.382 3.314 705 H LEU 83 HN LEU 83 -1.276 7.834 -0.791 706 HA LEU 83 HA LEU 83 -1.758 10.633 -1.677 707 HB2 LEU 83 HB2 LEU 83 -0.164 8.859 -2.908 708 HB3 LEU 83 HB3 LEU 83 -1.715 8.184 -3.404 709 HG LEU 83 HG LEU 83 -2.235 10.685 -4.119 710 HD11 LEU 83 HD11 LEU 83 -0.183 11.684 -3.145 711 HD12 LEU 83 HD12 LEU 83 -0.227 11.887 -4.907 712 HD13 LEU 83 HD13 LEU 83 0.814 10.641 -4.194 713 HD21 LEU 83 HD21 LEU 83 -1.339 10.195 -6.341 714 HD22 LEU 83 HD22 LEU 83 -2.217 8.853 -5.610 715 HD23 LEU 83 HD23 LEU 83 -0.433 8.823 -5.646 716 H GLU 84 HN GLU 84 -3.793 10.531 -3.302 717 HA GLU 84 HA GLU 84 -5.636 8.392 -2.735 718 HB2 GLU 84 HB2 GLU 84 -6.137 10.636 -1.342 719 HB3 GLU 84 HB3 GLU 84 -6.603 11.241 -2.927 720 HG2 GLU 84 HG2 GLU 84 -8.210 9.142 -2.948 721 HG3 GLU 84 HG3 GLU 84 -7.905 9.117 -1.234 722 H GLU 85 HN GLU 85 -6.970 8.028 -4.700 723 HA GLU 85 HA GLU 85 -5.884 9.308 -7.105 724 HB2 GLU 85 HB2 GLU 85 -6.492 6.858 -7.037 725 HB3 GLU 85 HB3 GLU 85 -8.181 7.319 -6.721 726 HG2 GLU 85 HG2 GLU 85 -7.719 6.746 -9.071 727 HG3 GLU 85 HG3 GLU 85 -8.439 8.325 -8.847 728 H TYR 86 HN TYR 86 -7.201 10.683 -8.444 729 HA TYR 86 HA TYR 86 -9.780 11.522 -7.497 730 HB2 TYR 86 HB2 TYR 86 -9.390 13.805 -7.056 731 HB3 TYR 86 HB3 TYR 86 -8.539 12.798 -5.919 732 HD1 TYR 86 HD2 TYR 86 -8.197 15.142 -8.750 733 HD2 TYR 86 HD1 TYR 86 -6.085 12.797 -5.801 734 HE1 TYR 86 HE2 TYR 86 -6.230 16.563 -9.057 735 HE2 TYR 86 HE1 TYR 86 -4.122 14.268 -6.034 736 HH TYR 86 HH TYR 86 -3.733 16.607 -6.648 737 H GLN 87 HN GLN 87 -11.032 12.154 -9.144 738 HA GLN 87 HA GLN 87 -10.071 13.201 -11.562 739 HB2 GLN 87 HB2 GLN 87 -10.864 11.197 -12.951 740 HB3 GLN 87 HB3 GLN 87 -9.253 11.193 -12.256 741 HG2 GLN 87 HG2 GLN 87 -10.046 9.035 -11.940 742 HG3 GLN 87 HG3 GLN 87 -10.111 9.811 -10.362 743 HE21 GLN 87 HE21 GLN 87 -12.078 9.374 -9.246 744 HE22 GLN 87 HE22 GLN 87 -13.591 9.149 -10.091 Start of MODEL 31 1 H1 GLY 1 HN GLY 1 -18.381 -9.037 2.754 2 HA2 GLY 1 HA1 GLY 1 -16.639 -6.702 3.336 3 HA3 GLY 1 HA2 GLY 1 -18.014 -7.210 4.321 4 H GLU 2 HN GLU 2 -14.788 -8.171 3.139 5 HA GLU 2 HA GLU 2 -14.109 -9.609 5.561 6 HB2 GLU 2 HB2 GLU 2 -13.371 -11.581 4.283 7 HB3 GLU 2 HB3 GLU 2 -15.108 -11.394 4.198 8 HG2 GLU 2 HG2 GLU 2 -13.218 -10.484 1.969 9 HG3 GLU 2 HG3 GLU 2 -13.972 -12.086 2.045 10 H GLU 3 HN GLU 3 -11.627 -10.506 4.516 11 HA GLU 3 HA GLU 3 -10.110 -8.086 4.201 12 HB2 GLU 3 HB2 GLU 3 -9.437 -11.046 3.850 13 HB3 GLU 3 HB3 GLU 3 -8.267 -9.734 3.682 14 HG2 GLU 3 HG2 GLU 3 -8.870 -8.978 6.024 15 HG3 GLU 3 HG3 GLU 3 -9.841 -10.453 6.166 16 H THR 4 HN THR 4 -10.141 -10.856 1.889 17 HA THR 4 HA THR 4 -10.673 -9.235 -0.429 18 HB THR 4 HB THR 4 -8.284 -10.315 -1.231 19 HG1 THR 4 HG1 THR 4 -7.200 -10.854 0.443 20 HG21 THR 4 HG21 THR 4 -9.027 -7.967 -1.570 21 HG22 THR 4 HG22 THR 4 -7.319 -8.117 -1.167 22 HG23 THR 4 HG23 THR 4 -8.462 -7.576 0.075 23 HA PRO 5 HA PRO 5 -12.029 -13.349 -1.489 24 HB2 PRO 5 HB2 PRO 5 -12.314 -13.250 -4.196 25 HB3 PRO 5 HB3 PRO 5 -13.250 -12.187 -3.107 26 HG2 PRO 5 HG2 PRO 5 -10.657 -11.521 -4.554 27 HG3 PRO 5 HG3 PRO 5 -12.199 -10.601 -4.567 28 HD2 PRO 5 HD2 PRO 5 -10.185 -9.962 -2.855 29 HD3 PRO 5 HD3 PRO 5 -11.905 -9.889 -2.348 30 H LEU 6 HN LEU 6 -8.827 -12.647 -1.885 31 HA LEU 6 HA LEU 6 -8.123 -15.016 -3.585 32 HB2 LEU 6 HB2 LEU 6 -6.628 -12.499 -2.807 33 HB3 LEU 6 HB3 LEU 6 -5.850 -13.885 -3.580 34 HG LEU 6 HG LEU 6 -8.345 -12.652 -4.818 35 HD11 LEU 6 HD11 LEU 6 -7.010 -11.215 -6.217 36 HD12 LEU 6 HD12 LEU 6 -5.527 -11.716 -5.393 37 HD13 LEU 6 HD13 LEU 6 -6.776 -10.796 -4.518 38 HD21 LEU 6 HD21 LEU 6 -7.386 -13.530 -6.914 39 HD22 LEU 6 HD22 LEU 6 -7.573 -14.828 -5.729 40 HD23 LEU 6 HD23 LEU 6 -5.971 -14.123 -6.015 41 H VAL 7 HN VAL 7 -9.003 -16.244 -1.960 42 HA VAL 7 HA VAL 7 -7.849 -16.521 0.627 43 HB VAL 7 HB VAL 7 -9.416 -18.692 -0.793 44 HG11 VAL 7 HG11 VAL 7 -10.526 -18.848 1.445 45 HG12 VAL 7 HG12 VAL 7 -8.789 -19.122 1.542 46 HG13 VAL 7 HG13 VAL 7 -9.442 -17.562 2.044 47 HG21 VAL 7 HG21 VAL 7 -11.546 -17.573 -0.200 48 HG22 VAL 7 HG22 VAL 7 -10.630 -16.075 0.201 49 HG23 VAL 7 HG23 VAL 7 -10.687 -16.733 -1.449 50 H THR 8 HN THR 8 -6.034 -16.762 -1.821 51 HA THR 8 HA THR 8 -4.572 -19.156 -0.864 52 HB THR 8 HB THR 8 -5.890 -19.578 -2.964 53 HG1 THR 8 HG1 THR 8 -3.914 -20.705 -2.373 54 HG21 THR 8 HG21 THR 8 -5.529 -17.373 -4.057 55 HG22 THR 8 HG22 THR 8 -5.091 -18.738 -5.090 56 HG23 THR 8 HG23 THR 8 -3.817 -17.796 -4.294 57 H ALA 9 HN ALA 9 -4.476 -16.091 -0.466 58 HA ALA 9 HA ALA 9 -1.733 -15.481 -1.444 59 HB1 ALA 9 HB1 ALA 9 -3.481 -13.803 -1.898 60 HB2 ALA 9 HB2 ALA 9 -3.874 -13.730 -0.162 61 HB3 ALA 9 HB3 ALA 9 -2.287 -13.187 -0.730 62 H ARG 10 HN ARG 10 -0.065 -15.868 0.026 63 HA ARG 10 HA ARG 10 -0.497 -15.317 2.840 64 HB2 ARG 10 HB2 ARG 10 -0.991 -17.947 2.067 65 HB3 ARG 10 HB3 ARG 10 0.734 -18.014 2.436 66 HG2 ARG 10 HG2 ARG 10 0.194 -16.900 4.671 67 HG3 ARG 10 HG3 ARG 10 -1.527 -17.027 4.240 68 HD2 ARG 10 HD2 ARG 10 -1.256 -19.497 4.041 69 HD3 ARG 10 HD3 ARG 10 0.436 -19.337 4.538 70 HE ARG 10 HE ARG 10 -0.414 -18.264 6.642 71 HH11 ARG 10 HH11 ARG 10 -2.541 -20.570 4.958 72 HH12 ARG 10 HH12 ARG 10 -3.615 -20.711 6.312 73 HH21 ARG 10 HH21 ARG 10 -1.864 -18.485 8.391 74 HH22 ARG 10 HH22 ARG 10 -3.136 -19.648 8.318 75 H HIS 11 HN HIS 11 1.771 -15.951 3.985 76 HA HIS 11 HA HIS 11 3.806 -15.024 4.269 77 HB2 HIS 11 HB2 HIS 11 4.216 -17.284 3.348 78 HB3 HIS 11 HB3 HIS 11 4.285 -16.602 1.718 79 HD1 HIS 11 HD1 HIS 11 6.753 -17.303 1.234 80 HD2 HIS 11 HD2 HIS 11 6.171 -14.914 4.646 81 HE1 HIS 11 HE1 HIS 11 9.062 -16.732 2.108 82 H MET 12 HN MET 12 2.504 -13.049 3.730 83 HA MET 12 HA MET 12 2.826 -11.752 1.188 84 HB2 MET 12 HB2 MET 12 1.874 -10.830 3.924 85 HB3 MET 12 HB3 MET 12 1.708 -9.861 2.452 86 HG2 MET 12 HG2 MET 12 0.275 -11.552 1.425 87 HG3 MET 12 HG3 MET 12 0.543 -12.656 2.764 88 HE1 MET 12 HE1 MET 12 -2.280 -9.019 2.786 89 HE2 MET 12 HE2 MET 12 -0.536 -8.773 2.549 90 HE3 MET 12 HE3 MET 12 -1.485 -9.706 1.372 91 H SER 13 HN SER 13 3.855 -9.666 0.895 92 HA SER 13 HA SER 13 6.585 -9.773 1.363 93 HB2 SER 13 HB2 SER 13 4.985 -8.336 -0.269 94 HB3 SER 13 HB3 SER 13 5.288 -7.092 0.945 95 HG SER 13 HG SER 13 6.946 -8.129 -0.964 96 H LYS 14 HN LYS 14 7.955 -8.125 2.404 97 HA LYS 14 HA LYS 14 7.521 -7.789 5.199 98 HB2 LYS 14 HB2 LYS 14 9.763 -7.668 4.116 99 HB3 LYS 14 HB3 LYS 14 9.276 -6.192 3.278 100 HG2 LYS 14 HG2 LYS 14 10.613 -5.506 5.096 101 HG3 LYS 14 HG3 LYS 14 8.979 -5.061 5.500 102 HD2 LYS 14 HD2 LYS 14 9.304 -7.676 6.618 103 HD3 LYS 14 HD3 LYS 14 10.843 -6.876 6.864 104 HE2 LYS 14 HE2 LYS 14 9.471 -6.469 8.824 105 HE3 LYS 14 HE3 LYS 14 9.675 -4.965 7.956 106 HZ1 LYS 14 HZ1 LYS 14 7.438 -5.314 7.053 107 HZ2 LYS 14 HZ2 LYS 14 7.389 -5.344 8.689 108 HZ3 LYS 14 HZ3 LYS 14 7.294 -6.736 7.827 109 H TRP 15 HN TRP 15 6.857 -5.642 2.460 110 HA TRP 15 HA TRP 15 5.973 -3.527 4.204 111 HB2 TRP 15 HB2 TRP 15 6.013 -3.699 1.164 112 HB3 TRP 15 HB3 TRP 15 5.906 -2.235 2.142 113 HD1 TRP 15 HD1 TRP 15 8.499 -4.560 0.686 114 HE1 TRP 15 HE1 TRP 15 10.843 -4.008 1.602 115 HE3 TRP 15 HE3 TRP 15 7.145 -1.311 4.383 116 HZ2 TRP 15 HZ2 TRP 15 11.950 -2.309 3.696 117 HZ3 TRP 15 HZ3 TRP 15 8.803 -0.320 5.851 118 HH2 TRP 15 HH2 TRP 15 11.261 -0.764 5.502 119 H GLU 16 HN GLU 16 4.240 -6.177 3.039 120 HA GLU 16 HA GLU 16 1.970 -4.777 2.003 121 HB2 GLU 16 HB2 GLU 16 2.591 -7.647 2.727 122 HB3 GLU 16 HB3 GLU 16 0.913 -7.170 2.455 123 HG2 GLU 16 HG2 GLU 16 1.543 -6.132 0.292 124 HG3 GLU 16 HG3 GLU 16 3.181 -6.759 0.501 125 H GLU 17 HN GLU 17 2.298 -6.524 5.203 126 HA GLU 17 HA GLU 17 -0.207 -5.737 6.220 127 HB2 GLU 17 HB2 GLU 17 2.447 -6.500 7.353 128 HB3 GLU 17 HB3 GLU 17 1.373 -5.653 8.453 129 HG2 GLU 17 HG2 GLU 17 0.130 -7.877 6.837 130 HG3 GLU 17 HG3 GLU 17 1.263 -8.305 8.096 131 H ILE 18 HN ILE 18 2.805 -3.901 6.009 132 HA ILE 18 HA ILE 18 1.946 -1.812 7.789 133 HB ILE 18 HB ILE 18 4.108 -1.630 5.639 134 HG12 ILE 18 HG12 ILE 18 4.521 -2.485 8.539 135 HG13 ILE 18 HG13 ILE 18 4.420 -3.647 7.220 136 HG21 ILE 18 HG21 ILE 18 3.468 0.524 6.620 137 HG22 ILE 18 HG22 ILE 18 3.559 -0.145 8.257 138 HG23 ILE 18 HG23 ILE 18 5.029 0.059 7.300 139 HD11 ILE 18 HD11 ILE 18 6.732 -3.290 7.696 140 HD12 ILE 18 HD12 ILE 18 6.355 -2.630 6.105 141 HD13 ILE 18 HD13 ILE 18 6.576 -1.536 7.481 142 H ALA 19 HN ALA 19 2.091 -2.157 4.188 143 HA ALA 19 HA ALA 19 0.896 0.307 3.545 144 HB1 ALA 19 HB1 ALA 19 2.082 -1.087 1.925 145 HB2 ALA 19 HB2 ALA 19 0.810 -2.330 2.031 146 HB3 ALA 19 HB3 ALA 19 0.436 -0.725 1.383 147 H VAL 20 HN VAL 20 -0.747 -2.948 3.931 148 HA VAL 20 HA VAL 20 -3.318 -1.941 3.342 149 HB VAL 20 HB VAL 20 -2.538 -4.242 5.206 150 HG11 VAL 20 HG11 VAL 20 -4.791 -5.163 4.737 151 HG12 VAL 20 HG12 VAL 20 -4.917 -3.621 5.574 152 HG13 VAL 20 HG13 VAL 20 -5.208 -3.698 3.819 153 HG21 VAL 20 HG21 VAL 20 -3.280 -4.319 2.250 154 HG22 VAL 20 HG22 VAL 20 -1.666 -4.601 2.930 155 HG23 VAL 20 HG23 VAL 20 -2.944 -5.721 3.301 156 H LYS 21 HN LYS 21 -1.615 -2.264 6.544 157 HA LYS 21 HA LYS 21 -3.832 -1.368 8.084 158 HB2 LYS 21 HB2 LYS 21 -0.840 -1.404 8.600 159 HB3 LYS 21 HB3 LYS 21 -2.009 -0.790 9.783 160 HG2 LYS 21 HG2 LYS 21 -3.165 -2.888 9.929 161 HG3 LYS 21 HG3 LYS 21 -2.192 -3.602 8.634 162 HD2 LYS 21 HD2 LYS 21 -0.177 -3.456 9.949 163 HD3 LYS 21 HD3 LYS 21 -0.993 -2.489 11.200 164 HE2 LYS 21 HE2 LYS 21 -2.436 -4.369 11.772 165 HE3 LYS 21 HE3 LYS 21 -1.729 -5.346 10.465 166 HZ1 LYS 21 HZ1 LYS 21 0.252 -5.534 11.603 167 HZ2 LYS 21 HZ2 LYS 21 -0.807 -5.654 12.825 168 HZ3 LYS 21 HZ3 LYS 21 0.014 -4.239 12.559 169 H GLU 22 HN GLU 22 -1.076 0.532 6.655 170 HA GLU 22 HA GLU 22 -2.008 3.002 7.770 171 HB2 GLU 22 HB2 GLU 22 -0.369 2.432 5.286 172 HB3 GLU 22 HB3 GLU 22 -0.672 4.047 5.970 173 HG2 GLU 22 HG2 GLU 22 0.872 1.807 7.288 174 HG3 GLU 22 HG3 GLU 22 1.530 3.283 6.611 175 H ALA 23 HN ALA 23 -2.658 1.377 4.621 176 HA ALA 23 HA ALA 23 -4.370 3.315 3.538 177 HB1 ALA 23 HB1 ALA 23 -5.128 1.586 2.042 178 HB2 ALA 23 HB2 ALA 23 -3.356 1.587 2.207 179 HB3 ALA 23 HB3 ALA 23 -4.337 0.348 3.050 180 H LYS 24 HN LYS 24 -5.057 0.987 6.087 181 HA LYS 24 HA LYS 24 -7.970 1.508 5.770 182 HB2 LYS 24 HB2 LYS 24 -8.467 -0.276 7.053 183 HB3 LYS 24 HB3 LYS 24 -7.046 -0.809 6.178 184 HG2 LYS 24 HG2 LYS 24 -6.114 -1.441 8.078 185 HG3 LYS 24 HG3 LYS 24 -6.002 0.238 8.520 186 HD2 LYS 24 HD2 LYS 24 -7.129 -0.635 10.354 187 HD3 LYS 24 HD3 LYS 24 -8.458 0.010 9.379 188 HE2 LYS 24 HE2 LYS 24 -9.364 -2.073 9.313 189 HE3 LYS 24 HE3 LYS 24 -7.973 -2.586 8.336 190 HZ1 LYS 24 HZ1 LYS 24 -8.210 -2.737 11.270 191 HZ2 LYS 24 HZ2 LYS 24 -6.806 -3.038 10.419 192 HZ3 LYS 24 HZ3 LYS 24 -8.117 -3.985 10.227 193 H LYS 25 HN LYS 25 -5.319 2.188 8.080 194 HA LYS 25 HA LYS 25 -7.208 3.099 10.032 195 HB2 LYS 25 HB2 LYS 25 -5.350 3.532 11.425 196 HB3 LYS 25 HB3 LYS 25 -5.046 2.061 10.532 197 HG2 LYS 25 HG2 LYS 25 -3.006 2.971 10.307 198 HG3 LYS 25 HG3 LYS 25 -3.728 3.715 8.887 199 HD2 LYS 25 HD2 LYS 25 -4.065 5.822 10.155 200 HD3 LYS 25 HD3 LYS 25 -3.499 5.012 11.629 201 HE2 LYS 25 HE2 LYS 25 -1.329 4.530 10.500 202 HE3 LYS 25 HE3 LYS 25 -1.857 5.474 9.105 203 HZ1 LYS 25 HZ1 LYS 25 -0.486 6.671 10.738 204 HZ2 LYS 25 HZ2 LYS 25 -1.691 6.538 11.847 205 HZ3 LYS 25 HZ3 LYS 25 -1.955 7.411 10.476 206 H ARG 26 HN ARG 26 -5.198 4.771 7.712 207 HA ARG 26 HA ARG 26 -5.795 7.425 8.660 208 HB2 ARG 26 HB2 ARG 26 -3.778 6.676 7.408 209 HB3 ARG 26 HB3 ARG 26 -4.757 6.457 5.956 210 HG2 ARG 26 HG2 ARG 26 -4.945 8.715 5.564 211 HG3 ARG 26 HG3 ARG 26 -4.861 9.154 7.278 212 HD2 ARG 26 HD2 ARG 26 -2.526 8.970 7.374 213 HD3 ARG 26 HD3 ARG 26 -2.440 7.966 5.912 214 HE ARG 26 HE ARG 26 -3.538 10.350 5.044 215 HH11 ARG 26 HH11 ARG 26 -0.528 9.642 6.817 216 HH12 ARG 26 HH12 ARG 26 0.275 11.048 6.169 217 HH21 ARG 26 HH21 ARG 26 -2.392 11.897 4.006 218 HH22 ARG 26 HH22 ARG 26 -0.737 12.261 4.375 219 H TYR 27 HN TYR 27 -8.114 5.427 7.663 220 HA TYR 27 HA TYR 27 -9.632 7.435 6.150 221 HB2 TYR 27 HB2 TYR 27 -9.334 4.537 5.299 222 HB3 TYR 27 HB3 TYR 27 -10.437 5.728 4.614 223 HD1 TYR 27 HD2 TYR 27 -6.861 4.789 5.007 224 HD2 TYR 27 HD1 TYR 27 -9.680 7.291 2.918 225 HE1 TYR 27 HE2 TYR 27 -5.139 5.291 3.307 226 HE2 TYR 27 HE1 TYR 27 -7.992 7.739 1.184 227 HH TYR 27 HH TYR 27 -5.692 7.345 0.470 228 HA PRO 28 HA PRO 28 -11.924 5.415 9.583 229 HB2 PRO 28 HB2 PRO 28 -12.904 7.681 10.768 230 HB3 PRO 28 HB3 PRO 28 -11.269 7.031 11.087 231 HG2 PRO 28 HG2 PRO 28 -12.046 9.339 9.304 232 HG3 PRO 28 HG3 PRO 28 -10.594 9.122 10.349 233 HD2 PRO 28 HD2 PRO 28 -10.648 8.737 7.617 234 HD3 PRO 28 HD3 PRO 28 -9.442 8.068 8.758 235 H LEU 29 HN LEU 29 -12.757 7.606 6.935 236 HA LEU 29 HA LEU 29 -15.653 7.292 7.472 237 HB2 LEU 29 HB2 LEU 29 -14.390 8.971 5.297 238 HB3 LEU 29 HB3 LEU 29 -15.996 9.079 5.988 239 HG LEU 29 HG LEU 29 -13.370 9.896 7.280 240 HD11 LEU 29 HD11 LEU 29 -15.890 11.474 6.620 241 HD12 LEU 29 HD12 LEU 29 -14.381 11.491 5.680 242 HD13 LEU 29 HD13 LEU 29 -14.402 12.117 7.334 243 HD21 LEU 29 HD21 LEU 29 -14.678 10.603 9.254 244 HD22 LEU 29 HD22 LEU 29 -14.725 8.854 9.044 245 HD23 LEU 29 HD23 LEU 29 -16.131 9.830 8.575 246 H ALA 30 HN ALA 30 -13.392 5.550 5.898 247 HA ALA 30 HA ALA 30 -15.302 4.320 4.026 248 HB1 ALA 30 HB1 ALA 30 -14.056 6.086 2.738 249 HB2 ALA 30 HB2 ALA 30 -12.534 5.262 3.147 250 HB3 ALA 30 HB3 ALA 30 -13.758 4.454 2.137 251 H GLN 31 HN GLN 31 -14.043 2.246 3.029 252 HA GLN 31 HA GLN 31 -12.345 1.022 5.157 253 HB2 GLN 31 HB2 GLN 31 -14.734 -0.304 3.828 254 HB3 GLN 31 HB3 GLN 31 -13.651 -1.051 5.000 255 HG2 GLN 31 HG2 GLN 31 -14.945 -0.345 6.674 256 HG3 GLN 31 HG3 GLN 31 -14.558 1.316 6.241 257 HE21 GLN 31 HE21 GLN 31 -15.956 1.679 3.805 258 HE22 GLN 31 HE22 GLN 31 -17.612 1.817 4.343 259 H VAL 32 HN VAL 32 -10.840 -0.465 4.392 260 HA VAL 32 HA VAL 32 -10.408 -0.294 1.472 261 HB VAL 32 HB VAL 32 -8.681 0.452 3.190 262 HG11 VAL 32 HG11 VAL 32 -8.737 -1.534 4.687 263 HG12 VAL 32 HG12 VAL 32 -8.049 -2.520 3.380 264 HG13 VAL 32 HG13 VAL 32 -7.107 -1.188 4.033 265 HG21 VAL 32 HG21 VAL 32 -6.806 -0.264 1.817 266 HG22 VAL 32 HG22 VAL 32 -7.807 -1.533 1.060 267 HG23 VAL 32 HG23 VAL 32 -8.170 0.185 0.806 268 H LEU 33 HN LEU 33 -10.499 -1.986 0.103 269 HA LEU 33 HA LEU 33 -10.592 -4.761 1.092 270 HB2 LEU 33 HB2 LEU 33 -12.802 -4.779 -0.539 271 HB3 LEU 33 HB3 LEU 33 -12.768 -4.928 1.151 272 HG LEU 33 HG LEU 33 -12.914 -2.093 0.175 273 HD11 LEU 33 HD11 LEU 33 -14.221 -3.148 -1.539 274 HD12 LEU 33 HD12 LEU 33 -15.296 -2.304 -0.406 275 HD13 LEU 33 HD13 LEU 33 -15.150 -4.081 -0.339 276 HD21 LEU 33 HD21 LEU 33 -13.194 -2.689 2.576 277 HD22 LEU 33 HD22 LEU 33 -14.570 -3.698 2.174 278 HD23 LEU 33 HD23 LEU 33 -14.639 -1.923 1.909 279 H PHE 34 HN PHE 34 -8.573 -3.412 -0.523 280 HA PHE 34 HA PHE 34 -8.618 -5.299 -2.761 281 HB2 PHE 34 HB2 PHE 34 -9.461 -2.648 -3.215 282 HB3 PHE 34 HB3 PHE 34 -7.779 -2.618 -3.682 283 HD1 PHE 34 HD2 PHE 34 -11.026 -4.413 -4.195 284 HD2 PHE 34 HD1 PHE 34 -7.104 -3.511 -5.794 285 HE1 PHE 34 HE2 PHE 34 -11.665 -5.427 -6.368 286 HE2 PHE 34 HE1 PHE 34 -7.758 -4.547 -7.950 287 HZ PHE 34 HZ PHE 34 -10.022 -5.507 -8.247 288 H LYS 35 HN LYS 35 -6.399 -5.779 -3.360 289 HA LYS 35 HA LYS 35 -4.250 -4.271 -1.944 290 HB2 LYS 35 HB2 LYS 35 -4.623 -7.270 -1.666 291 HB3 LYS 35 HB3 LYS 35 -3.318 -6.286 -0.989 292 HG2 LYS 35 HG2 LYS 35 -4.799 -5.260 0.605 293 HG3 LYS 35 HG3 LYS 35 -6.217 -6.038 -0.138 294 HD2 LYS 35 HD2 LYS 35 -5.278 -8.272 0.326 295 HD3 LYS 35 HD3 LYS 35 -3.898 -7.521 1.168 296 HE2 LYS 35 HE2 LYS 35 -5.277 -6.680 2.905 297 HE3 LYS 35 HE3 LYS 35 -6.744 -6.812 1.923 298 HZ1 LYS 35 HZ1 LYS 35 -6.703 -8.464 3.562 299 HZ2 LYS 35 HZ2 LYS 35 -5.276 -9.100 3.053 300 HZ3 LYS 35 HZ3 LYS 35 -6.622 -9.173 2.069 301 H GLN 36 HN GLN 36 -3.449 -3.622 -4.102 302 HA GLN 36 HA GLN 36 -2.710 -5.919 -5.835 303 HB2 GLN 36 HB2 GLN 36 -4.633 -4.047 -6.383 304 HB3 GLN 36 HB3 GLN 36 -3.215 -3.233 -7.029 305 HG2 GLN 36 HG2 GLN 36 -4.210 -4.512 -8.801 306 HG3 GLN 36 HG3 GLN 36 -2.700 -5.318 -8.363 307 HE21 GLN 36 HE21 GLN 36 -3.171 -7.577 -8.773 308 HE22 GLN 36 HE22 GLN 36 -4.671 -8.306 -8.223 309 H LYS 37 HN LYS 37 -0.750 -5.989 -6.659 310 HA LYS 37 HA LYS 37 1.449 -4.529 -5.767 311 HB2 LYS 37 HB2 LYS 37 2.623 -5.537 -7.732 312 HB3 LYS 37 HB3 LYS 37 1.625 -6.702 -6.876 313 HG2 LYS 37 HG2 LYS 37 -0.179 -6.405 -8.590 314 HG3 LYS 37 HG3 LYS 37 0.873 -5.318 -9.491 315 HD2 LYS 37 HD2 LYS 37 1.590 -8.210 -8.849 316 HD3 LYS 37 HD3 LYS 37 0.714 -7.699 -10.295 317 HE2 LYS 37 HE2 LYS 37 2.623 -6.130 -10.825 318 HE3 LYS 37 HE3 LYS 37 3.552 -6.890 -9.515 319 HZ1 LYS 37 HZ1 LYS 37 2.402 -8.384 -11.793 320 HZ2 LYS 37 HZ2 LYS 37 3.522 -8.943 -10.706 321 HZ3 LYS 37 HZ3 LYS 37 3.929 -7.798 -11.782 322 H VAL 38 HN VAL 38 2.873 -3.060 -6.869 323 HA VAL 38 HA VAL 38 1.783 -1.461 -9.091 324 HB VAL 38 HB VAL 38 3.292 -0.416 -6.649 325 HG11 VAL 38 HG11 VAL 38 2.720 1.855 -7.543 326 HG12 VAL 38 HG12 VAL 38 3.848 1.007 -8.573 327 HG13 VAL 38 HG13 VAL 38 2.141 1.101 -9.046 328 HG21 VAL 38 HG21 VAL 38 1.226 0.815 -6.110 329 HG22 VAL 38 HG22 VAL 38 0.400 0.104 -7.508 330 HG23 VAL 38 HG23 VAL 38 0.890 -0.913 -6.144 331 H TRP 39 HN TRP 39 3.856 -0.284 -10.053 332 HA TRP 39 HA TRP 39 6.039 -2.113 -10.650 333 HB2 TRP 39 HB2 TRP 39 5.511 -0.433 -12.264 334 HB3 TRP 39 HB3 TRP 39 5.419 0.828 -11.041 335 HD1 TRP 39 HD1 TRP 39 7.948 -1.009 -13.196 336 HE1 TRP 39 HE1 TRP 39 10.210 0.187 -13.077 337 HE3 TRP 39 HE3 TRP 39 6.942 2.267 -9.384 338 HZ2 TRP 39 HZ2 TRP 39 11.294 2.529 -11.773 339 HZ3 TRP 39 HZ3 TRP 39 8.627 3.923 -8.689 340 HH2 TRP 39 HH2 TRP 39 10.792 4.104 -9.917 341 H ASP 40 HN ASP 40 7.969 -2.223 -9.545 342 HA ASP 40 HA ASP 40 8.413 -0.565 -7.119 343 HB2 ASP 40 HB2 ASP 40 8.589 -3.582 -7.401 344 HB3 ASP 40 HB3 ASP 40 9.316 -2.669 -6.071 345 H ARG 41 HN ARG 41 10.771 -0.430 -6.586 346 HA ARG 41 HA ARG 41 12.625 -1.964 -8.162 347 HB2 ARG 41 HB2 ARG 41 13.881 -0.175 -9.185 348 HB3 ARG 41 HB3 ARG 41 12.264 -0.216 -9.845 349 HG2 ARG 41 HG2 ARG 41 11.888 1.894 -9.284 350 HG3 ARG 41 HG3 ARG 41 12.326 1.663 -7.602 351 HD2 ARG 41 HD2 ARG 41 14.678 1.964 -8.114 352 HD3 ARG 41 HD3 ARG 41 14.349 2.008 -9.856 353 HE ARG 41 HE ARG 41 13.735 4.197 -9.748 354 HH11 ARG 41 HH11 ARG 41 13.780 2.933 -6.445 355 HH12 ARG 41 HH12 ARG 41 13.960 4.465 -5.682 356 HH21 ARG 41 HH21 ARG 41 13.899 6.276 -8.762 357 HH22 ARG 41 HH22 ARG 41 14.182 6.388 -7.048 358 H LYS 42 HN LYS 42 14.912 -1.488 -7.608 359 HA LYS 42 HA LYS 42 15.214 -0.183 -4.943 360 HB2 LYS 42 HB2 LYS 42 16.240 -2.739 -5.982 361 HB3 LYS 42 HB3 LYS 42 17.579 -1.677 -5.576 362 HG2 LYS 42 HG2 LYS 42 16.617 -1.262 -3.355 363 HG3 LYS 42 HG3 LYS 42 15.269 -2.366 -3.735 364 HD2 LYS 42 HD2 LYS 42 17.145 -4.140 -4.165 365 HD3 LYS 42 HD3 LYS 42 18.230 -3.004 -3.380 366 HE2 LYS 42 HE2 LYS 42 17.536 -4.459 -1.640 367 HE3 LYS 42 HE3 LYS 42 16.572 -2.990 -1.397 368 HZ1 LYS 42 HZ1 LYS 42 15.154 -4.934 -1.245 369 HZ2 LYS 42 HZ2 LYS 42 15.731 -5.522 -2.656 370 HZ3 LYS 42 HZ3 LYS 42 14.794 -4.193 -2.686 371 H ARG 43 HN ARG 43 17.308 0.845 -4.578 372 HA ARG 43 HA ARG 43 18.631 1.811 -6.997 373 HB2 ARG 43 HB2 ARG 43 18.142 3.442 -4.453 374 HB3 ARG 43 HB3 ARG 43 19.196 3.930 -5.758 375 HG2 ARG 43 HG2 ARG 43 16.555 3.430 -6.830 376 HG3 ARG 43 HG3 ARG 43 16.422 4.468 -5.423 377 HD2 ARG 43 HD2 ARG 43 18.230 4.991 -7.820 378 HD3 ARG 43 HD3 ARG 43 16.671 5.751 -7.515 379 HE ARG 43 HE ARG 43 18.631 6.031 -5.339 380 HH11 ARG 43 HH11 ARG 43 17.409 7.592 -8.373 381 HH12 ARG 43 HH12 ARG 43 18.130 9.089 -7.948 382 HH21 ARG 43 HH21 ARG 43 19.094 8.146 -4.682 383 HH22 ARG 43 HH22 ARG 43 18.723 9.469 -5.743 384 H LYS 44 HN LYS 44 20.770 2.707 -6.287 385 HA LYS 44 HA LYS 44 22.501 0.795 -5.105 386 HB2 LYS 44 HB2 LYS 44 22.750 3.820 -5.425 387 HB3 LYS 44 HB3 LYS 44 24.090 2.738 -5.067 388 HG2 LYS 44 HG2 LYS 44 24.134 1.833 -7.240 389 HG3 LYS 44 HG3 LYS 44 22.458 2.241 -7.580 390 HD2 LYS 44 HD2 LYS 44 23.078 4.686 -7.606 391 HD3 LYS 44 HD3 LYS 44 24.770 4.193 -7.448 392 HE2 LYS 44 HE2 LYS 44 24.542 2.836 -9.532 393 HE3 LYS 44 HE3 LYS 44 22.909 3.497 -9.742 394 HZ1 LYS 44 HZ1 LYS 44 23.962 5.733 -9.830 395 HZ2 LYS 44 HZ2 LYS 44 24.460 4.752 -11.020 396 HZ3 LYS 44 HZ3 LYS 44 25.445 5.030 -9.734 397 H ASP 45 HN ASP 45 21.004 3.778 -3.777 398 HA ASP 45 HA ASP 45 20.991 2.678 -1.028 399 HB2 ASP 45 HB2 ASP 45 23.096 3.822 -1.075 400 HB3 ASP 45 HB3 ASP 45 22.404 5.166 -1.979 401 H GLU 46 HN GLU 46 18.792 2.536 -2.124 402 HA GLU 46 HA GLU 46 17.102 3.716 -0.463 403 HB2 GLU 46 HB2 GLU 46 17.373 5.839 -2.144 404 HB3 GLU 46 HB3 GLU 46 16.251 4.890 -3.088 405 HG2 GLU 46 HG2 GLU 46 14.700 4.875 -1.110 406 HG3 GLU 46 HG3 GLU 46 15.878 5.842 -0.215 407 H ALA 47 HN ALA 47 14.698 3.081 -1.260 408 HA ALA 47 HA ALA 47 14.486 1.424 -3.640 409 HB1 ALA 47 HB1 ALA 47 15.307 -0.179 -1.881 410 HB2 ALA 47 HB2 ALA 47 13.960 0.297 -0.861 411 HB3 ALA 47 HB3 ALA 47 13.649 -0.531 -2.418 412 H VAL 48 HN VAL 48 12.116 0.931 -4.040 413 HA VAL 48 HA VAL 48 10.271 2.352 -2.233 414 HB VAL 48 HB VAL 48 9.714 2.405 -5.210 415 HG11 VAL 48 HG11 VAL 48 8.862 4.210 -2.886 416 HG12 VAL 48 HG12 VAL 48 8.287 4.304 -4.573 417 HG13 VAL 48 HG13 VAL 48 7.893 2.897 -3.578 418 HG21 VAL 48 HG21 VAL 48 11.212 4.595 -3.745 419 HG22 VAL 48 HG22 VAL 48 11.808 3.600 -5.107 420 HG23 VAL 48 HG23 VAL 48 10.481 4.740 -5.346 421 H LYS 49 HN LYS 49 8.351 1.194 -1.919 422 HA LYS 49 HA LYS 49 7.749 -1.000 -3.699 423 HB2 LYS 49 HB2 LYS 49 8.787 -1.683 -1.206 424 HB3 LYS 49 HB3 LYS 49 7.090 -1.536 -0.844 425 HG2 LYS 49 HG2 LYS 49 6.855 -3.626 -1.515 426 HG3 LYS 49 HG3 LYS 49 7.073 -3.064 -3.180 427 HD2 LYS 49 HD2 LYS 49 9.380 -3.714 -3.208 428 HD3 LYS 49 HD3 LYS 49 9.498 -3.774 -1.457 429 HE2 LYS 49 HE2 LYS 49 9.445 -6.024 -2.197 430 HE3 LYS 49 HE3 LYS 49 7.900 -5.707 -1.411 431 HZ1 LYS 49 HZ1 LYS 49 7.521 -6.946 -3.358 432 HZ2 LYS 49 HZ2 LYS 49 8.393 -5.933 -4.321 433 HZ3 LYS 49 HZ3 LYS 49 6.959 -5.443 -3.681 434 H GLN 50 HN GLN 50 5.430 -0.848 -4.081 435 HA GLN 50 HA GLN 50 3.900 0.798 -2.155 436 HB2 GLN 50 HB2 GLN 50 3.926 1.393 -5.152 437 HB3 GLN 50 HB3 GLN 50 2.778 2.051 -3.979 438 HG2 GLN 50 HG2 GLN 50 4.775 2.975 -2.690 439 HG3 GLN 50 HG3 GLN 50 5.730 2.456 -4.050 440 HE21 GLN 50 HE21 GLN 50 6.412 4.645 -4.530 441 HE22 GLN 50 HE22 GLN 50 5.326 5.756 -5.330 442 H TYR 51 HN TYR 51 1.665 0.787 -2.661 443 HA TYR 51 HA TYR 51 0.701 -1.632 -4.083 444 HB2 TYR 51 HB2 TYR 51 -0.050 -0.996 -1.208 445 HB3 TYR 51 HB3 TYR 51 -0.869 -2.150 -2.233 446 HD1 TYR 51 HD1 TYR 51 0.257 -4.181 -3.027 447 HD2 TYR 51 HD2 TYR 51 2.249 -1.449 -0.377 448 HE1 TYR 51 HE1 TYR 51 2.126 -5.756 -2.838 449 HE2 TYR 51 HE2 TYR 51 4.129 -3.027 -0.126 450 HH TYR 51 HH TYR 51 4.780 -5.190 -2.343 451 H HIS 52 HN HIS 52 -1.489 -1.465 -4.672 452 HA HIS 52 HA HIS 52 -2.704 1.237 -4.676 453 HB2 HIS 52 HB2 HIS 52 -1.894 0.501 -6.945 454 HB3 HIS 52 HB3 HIS 52 -2.906 -0.925 -6.819 455 HD1 HIS 52 HD1 HIS 52 -4.415 2.459 -5.725 456 HD2 HIS 52 HD2 HIS 52 -4.196 -0.121 -9.064 457 HE1 HIS 52 HE1 HIS 52 -6.070 3.341 -7.410 458 H LEU 53 HN LEU 53 -4.547 1.121 -3.480 459 HA LEU 53 HA LEU 53 -5.866 -1.495 -3.057 460 HB2 LEU 53 HB2 LEU 53 -5.486 0.602 -0.862 461 HB3 LEU 53 HB3 LEU 53 -6.457 -0.851 -0.797 462 HG LEU 53 HG LEU 53 -4.112 -2.028 -1.424 463 HD11 LEU 53 HD11 LEU 53 -3.325 0.450 0.154 464 HD12 LEU 53 HD12 LEU 53 -2.728 -0.013 -1.451 465 HD13 LEU 53 HD13 LEU 53 -2.311 -0.988 -0.009 466 HD21 LEU 53 HD21 LEU 53 -3.804 -2.689 0.801 467 HD22 LEU 53 HD22 LEU 53 -5.533 -2.462 0.678 468 HD23 LEU 53 HD23 LEU 53 -4.562 -1.214 1.467 469 H THR 54 HN THR 54 -8.337 -0.739 -2.210 470 HA THR 54 HA THR 54 -8.923 1.894 -3.331 471 HB THR 54 HB THR 54 -9.338 -0.171 -5.094 472 HG1 THR 54 HG1 THR 54 -10.827 2.176 -4.543 473 HG21 THR 54 HG21 THR 54 -11.065 -1.223 -3.390 474 HG22 THR 54 HG22 THR 54 -11.603 -0.947 -5.065 475 HG23 THR 54 HG23 THR 54 -12.039 0.188 -3.777 476 H LEU 55 HN LEU 55 -10.829 2.684 -2.262 477 HA LEU 55 HA LEU 55 -11.612 1.084 0.129 478 HB2 LEU 55 HB2 LEU 55 -11.159 4.086 -0.011 479 HB3 LEU 55 HB3 LEU 55 -12.048 3.275 1.266 480 HG LEU 55 HG LEU 55 -9.702 1.779 1.170 481 HD11 LEU 55 HD11 LEU 55 -7.874 3.375 1.294 482 HD12 LEU 55 HD12 LEU 55 -8.979 4.715 0.927 483 HD13 LEU 55 HD13 LEU 55 -8.685 3.467 -0.298 484 HD21 LEU 55 HD21 LEU 55 -10.341 4.136 2.947 485 HD22 LEU 55 HD22 LEU 55 -9.149 2.851 3.288 486 HD23 LEU 55 HD23 LEU 55 -10.880 2.475 3.200 487 H ARG 56 HN ARG 56 -13.726 1.443 0.903 488 HA ARG 56 HA ARG 56 -15.620 2.445 -1.163 489 HB2 ARG 56 HB2 ARG 56 -15.589 -0.061 -0.717 490 HB3 ARG 56 HB3 ARG 56 -16.202 0.292 0.908 491 HG2 ARG 56 HG2 ARG 56 -18.121 1.556 -0.247 492 HG3 ARG 56 HG3 ARG 56 -17.478 0.952 -1.780 493 HD2 ARG 56 HD2 ARG 56 -17.769 -1.416 -0.783 494 HD3 ARG 56 HD3 ARG 56 -18.663 -0.640 0.514 495 HE ARG 56 HE ARG 56 -20.201 0.280 -1.106 496 HH11 ARG 56 HH11 ARG 56 -18.181 -2.351 -2.471 497 HH12 ARG 56 HH12 ARG 56 -19.334 -2.832 -3.645 498 HH21 ARG 56 HH21 ARG 56 -21.660 -0.253 -2.764 499 HH22 ARG 56 HH22 ARG 56 -21.291 -1.496 -3.904 500 H GLU 57 HN GLU 57 -16.887 4.092 -0.448 501 HA GLU 57 HA GLU 57 -17.466 4.345 2.471 502 HB2 GLU 57 HB2 GLU 57 -16.201 6.307 1.850 503 HB3 GLU 57 HB3 GLU 57 -17.116 6.466 0.356 504 HG2 GLU 57 HG2 GLU 57 -19.007 6.536 2.569 505 HG3 GLU 57 HG3 GLU 57 -17.667 7.616 2.924 506 H GLY 58 HN GLY 58 -19.365 3.262 2.526 507 HA2 GLY 58 HA1 GLY 58 -21.403 2.376 1.924 508 HA3 GLY 58 HA2 GLY 58 -21.762 4.072 1.624 509 H SER 59 HN SER 59 -21.885 4.834 -0.496 510 HA SER 59 HA SER 59 -22.454 2.720 -2.480 511 HB2 SER 59 HB2 SER 59 -24.074 4.625 -1.527 512 HB3 SER 59 HB3 SER 59 -23.309 5.579 -2.806 513 HG SER 59 HG SER 59 -24.644 3.075 -3.098 514 H LYS 60 HN LYS 60 -19.688 4.526 -1.874 515 HA LYS 60 HA LYS 60 -19.102 4.924 -4.752 516 HB2 LYS 60 HB2 LYS 60 -19.466 7.005 -3.558 517 HB3 LYS 60 HB3 LYS 60 -18.465 6.503 -2.214 518 HG2 LYS 60 HG2 LYS 60 -16.585 7.008 -3.236 519 HG3 LYS 60 HG3 LYS 60 -17.102 6.673 -4.884 520 HD2 LYS 60 HD2 LYS 60 -18.028 8.751 -5.190 521 HD3 LYS 60 HD3 LYS 60 -18.435 8.990 -3.479 522 HE2 LYS 60 HE2 LYS 60 -16.298 9.544 -2.847 523 HE3 LYS 60 HE3 LYS 60 -15.547 8.851 -4.279 524 HZ1 LYS 60 HZ1 LYS 60 -15.697 11.338 -4.229 525 HZ2 LYS 60 HZ2 LYS 60 -17.311 11.230 -4.348 526 HZ3 LYS 60 HZ3 LYS 60 -16.364 10.691 -5.586 527 H GLU 61 HN GLU 61 -16.840 4.647 -5.294 528 HA GLU 61 HA GLU 61 -15.094 3.449 -3.311 529 HB2 GLU 61 HB2 GLU 61 -15.620 2.330 -6.085 530 HB3 GLU 61 HB3 GLU 61 -14.003 2.231 -5.385 531 HG2 GLU 61 HG2 GLU 61 -14.908 1.098 -3.384 532 HG3 GLU 61 HG3 GLU 61 -16.512 1.112 -4.107 533 H PHE 62 HN PHE 62 -12.922 3.883 -3.776 534 HA PHE 62 HA PHE 62 -12.128 5.735 -5.918 535 HB2 PHE 62 HB2 PHE 62 -11.071 7.304 -4.328 536 HB3 PHE 62 HB3 PHE 62 -12.816 7.364 -4.367 537 HD1 PHE 62 HD2 PHE 62 -14.155 6.193 -2.440 538 HD2 PHE 62 HD1 PHE 62 -9.926 7.069 -2.268 539 HE1 PHE 62 HE2 PHE 62 -14.283 6.290 -0.011 540 HE2 PHE 62 HE1 PHE 62 -10.057 7.131 0.210 541 HZ PHE 62 HZ PHE 62 -12.238 6.783 1.349 542 H GLY 63 HN GLY 63 -9.872 5.485 -6.340 543 HA2 GLY 63 HA1 GLY 63 -8.686 3.041 -5.138 544 HA3 GLY 63 HA2 GLY 63 -8.444 3.641 -6.768 545 H VAL 64 HN VAL 64 -7.173 3.407 -3.674 546 HA VAL 64 HA VAL 64 -5.626 5.939 -3.782 547 HB VAL 64 HB VAL 64 -5.267 5.530 -1.403 548 HG11 VAL 64 HG11 VAL 64 -8.218 5.162 -2.062 549 HG12 VAL 64 HG12 VAL 64 -7.524 5.891 -0.613 550 HG13 VAL 64 HG13 VAL 64 -7.339 6.702 -2.176 551 HG21 VAL 64 HG21 VAL 64 -6.227 3.709 -0.178 552 HG22 VAL 64 HG22 VAL 64 -6.915 2.994 -1.663 553 HG23 VAL 64 HG23 VAL 64 -5.161 3.059 -1.407 554 H PHE 65 HN PHE 65 -3.342 5.789 -2.848 555 HA PHE 65 HA PHE 65 -2.026 3.196 -3.426 556 HB2 PHE 65 HB2 PHE 65 -0.969 5.883 -4.369 557 HB3 PHE 65 HB3 PHE 65 -0.061 4.401 -4.359 558 HD1 PHE 65 HD2 PHE 65 -2.971 6.144 -5.953 559 HD2 PHE 65 HD1 PHE 65 -0.224 2.810 -6.100 560 HE1 PHE 65 HE2 PHE 65 -3.625 5.696 -8.283 561 HE2 PHE 65 HE1 PHE 65 -0.878 2.387 -8.468 562 HZ PHE 65 HZ PHE 65 -2.568 3.830 -9.561 563 H VAL 66 HN VAL 66 0.256 3.272 -2.447 564 HA VAL 66 HA VAL 66 0.380 4.890 0.000 565 HB VAL 66 HB VAL 66 -0.849 3.134 0.816 566 HG11 VAL 66 HG11 VAL 66 -0.636 1.594 -0.979 567 HG12 VAL 66 HG12 VAL 66 0.935 1.066 -0.311 568 HG13 VAL 66 HG13 VAL 66 -0.603 0.931 0.636 569 HG21 VAL 66 HG21 VAL 66 1.144 3.855 2.175 570 HG22 VAL 66 HG22 VAL 66 0.465 2.265 2.549 571 HG23 VAL 66 HG23 VAL 66 1.963 2.382 1.596 572 H THR 67 HN THR 67 2.177 5.997 -0.464 573 HA THR 67 HA THR 67 4.469 4.878 -1.835 574 HB THR 67 HB THR 67 4.592 7.285 -0.020 575 HG1 THR 67 HG1 THR 67 2.794 7.705 -1.202 576 HG21 THR 67 HG21 THR 67 6.633 6.324 -1.186 577 HG22 THR 67 HG22 THR 67 6.315 8.014 -1.521 578 HG23 THR 67 HG23 THR 67 5.876 6.781 -2.725 579 H ILE 68 HN ILE 68 5.963 3.476 -0.802 580 HA ILE 68 HA ILE 68 6.705 4.194 1.977 581 HB ILE 68 HB ILE 68 6.436 1.370 0.923 582 HG12 ILE 68 HG12 ILE 68 4.759 2.728 3.065 583 HG13 ILE 68 HG13 ILE 68 4.222 2.281 1.443 584 HG21 ILE 68 HG21 ILE 68 8.367 1.852 2.560 585 HG22 ILE 68 HG22 ILE 68 7.181 2.494 3.696 586 HG23 ILE 68 HG23 ILE 68 7.169 0.782 3.265 587 HD11 ILE 68 HD11 ILE 68 3.416 0.618 2.967 588 HD12 ILE 68 HD12 ILE 68 4.675 -0.134 1.960 589 HD13 ILE 68 HD13 ILE 68 5.014 0.337 3.646 590 H SER 69 HN SER 69 8.543 5.272 1.363 591 HA SER 69 HA SER 69 10.472 4.050 -0.525 592 HB2 SER 69 HB2 SER 69 10.680 6.587 1.162 593 HB3 SER 69 HB3 SER 69 11.878 5.987 0.011 594 HG SER 69 HG SER 69 10.659 7.414 -1.086 595 H PHE 70 HN PHE 70 12.380 3.063 0.244 596 HA PHE 70 HA PHE 70 12.864 2.971 3.094 597 HB2 PHE 70 HB2 PHE 70 12.803 0.605 3.393 598 HB3 PHE 70 HB3 PHE 70 11.233 1.163 2.955 599 HD1 PHE 70 HD2 PHE 70 10.769 0.956 0.235 600 HD2 PHE 70 HD1 PHE 70 13.844 -1.222 2.308 601 HE1 PHE 70 HE2 PHE 70 10.790 -0.776 -1.549 602 HE2 PHE 70 HE1 PHE 70 13.710 -3.028 0.542 603 HZ PHE 70 HZ PHE 70 12.163 -2.789 -1.344 604 H ASP 71 HN ASP 71 14.731 1.005 3.117 605 HA ASP 71 HA ASP 71 16.799 2.154 1.320 606 HB2 ASP 71 HB2 ASP 71 16.515 2.727 3.859 607 HB3 ASP 71 HB3 ASP 71 17.160 1.099 4.133 608 HA PRO 72 HA PRO 72 17.474 -2.174 0.547 609 HB2 PRO 72 HB2 PRO 72 19.541 -2.184 -1.139 610 HB3 PRO 72 HB3 PRO 72 18.025 -1.318 -1.534 611 HG2 PRO 72 HG2 PRO 72 20.546 -0.096 -0.339 612 HG3 PRO 72 HG3 PRO 72 19.668 0.431 -1.809 613 HD2 PRO 72 HD2 PRO 72 19.163 1.553 0.619 614 HD3 PRO 72 HD3 PRO 72 17.857 1.257 -0.550 615 H TYR 73 HN TYR 73 19.761 -0.293 2.428 616 HA TYR 73 HA TYR 73 21.744 -2.339 2.755 617 HB2 TYR 73 HB2 TYR 73 20.984 0.105 4.368 618 HB3 TYR 73 HB3 TYR 73 22.141 -1.054 4.986 619 HD1 TYR 73 HD2 TYR 73 21.511 0.920 1.805 620 HD2 TYR 73 HD1 TYR 73 24.394 -0.705 4.575 621 HE1 TYR 73 HE2 TYR 73 23.301 2.114 0.624 622 HE2 TYR 73 HE1 TYR 73 26.208 0.476 3.379 623 HH TYR 73 HH TYR 73 26.683 1.480 1.263 624 H SER 74 HN SER 74 18.902 -1.412 4.753 625 HA SER 74 HA SER 74 18.493 -4.112 5.773 626 HB2 SER 74 HB2 SER 74 20.089 -2.034 7.220 627 HB3 SER 74 HB3 SER 74 18.834 -2.807 8.186 628 HG SER 74 HG SER 74 20.879 -4.066 6.677 629 H GLN 75 HN GLN 75 16.963 -2.055 4.245 630 HA GLN 75 HA GLN 75 14.809 -1.321 4.206 631 HB2 GLN 75 HB2 GLN 75 14.688 -3.766 6.021 632 HB3 GLN 75 HB3 GLN 75 13.256 -2.895 5.536 633 HG2 GLN 75 HG2 GLN 75 13.424 -4.708 4.083 634 HG3 GLN 75 HG3 GLN 75 13.795 -3.280 3.147 635 HE21 GLN 75 HE21 GLN 75 14.513 -5.145 1.643 636 HE22 GLN 75 HE22 GLN 75 16.151 -5.692 1.868 637 H LYS 76 HN LYS 76 16.417 0.326 5.747 638 HA LYS 76 HA LYS 76 14.849 1.359 7.966 639 HB2 LYS 76 HB2 LYS 76 17.178 2.156 6.218 640 HB3 LYS 76 HB3 LYS 76 16.119 3.472 6.611 641 HG2 LYS 76 HG2 LYS 76 16.741 1.846 9.007 642 HG3 LYS 76 HG3 LYS 76 18.205 2.401 8.208 643 HD2 LYS 76 HD2 LYS 76 17.759 4.639 8.526 644 HD3 LYS 76 HD3 LYS 76 16.008 4.417 8.543 645 HE2 LYS 76 HE2 LYS 76 16.146 3.343 10.766 646 HE3 LYS 76 HE3 LYS 76 17.889 3.726 10.818 647 HZ1 LYS 76 HZ1 LYS 76 16.233 5.413 11.806 648 HZ2 LYS 76 HZ2 LYS 76 15.937 5.854 10.237 649 HZ3 LYS 76 HZ3 LYS 76 17.436 5.974 10.852 650 H VAL 77 HN VAL 77 12.868 2.056 7.716 651 HA VAL 77 HA VAL 77 11.679 2.763 5.165 652 HB VAL 77 HB VAL 77 10.974 3.551 8.001 653 HG11 VAL 77 HG11 VAL 77 9.922 5.110 6.390 654 HG12 VAL 77 HG12 VAL 77 9.279 3.741 5.469 655 HG13 VAL 77 HG13 VAL 77 8.716 4.056 7.132 656 HG21 VAL 77 HG21 VAL 77 9.271 1.759 7.837 657 HG22 VAL 77 HG22 VAL 77 9.911 1.390 6.207 658 HG23 VAL 77 HG23 VAL 77 10.916 1.117 7.635 659 H ASN 78 HN ASN 78 11.972 4.615 4.052 660 HA ASN 78 HA ASN 78 13.715 6.711 5.234 661 HB2 ASN 78 HB2 ASN 78 13.138 5.900 2.373 662 HB3 ASN 78 HB3 ASN 78 13.672 7.543 2.764 663 HD21 ASN 78 HD21 ASN 78 15.024 4.526 1.943 664 HD22 ASN 78 HD22 ASN 78 16.486 4.751 2.862 665 H LYS 79 HN LYS 79 10.585 6.292 3.393 666 HA LYS 79 HA LYS 79 9.387 8.271 5.146 667 HB2 LYS 79 HB2 LYS 79 9.038 9.997 3.663 668 HB3 LYS 79 HB3 LYS 79 10.641 9.446 3.194 669 HG2 LYS 79 HG2 LYS 79 9.033 7.966 1.500 670 HG3 LYS 79 HG3 LYS 79 8.106 9.451 1.656 671 HD2 LYS 79 HD2 LYS 79 11.066 9.285 0.926 672 HD3 LYS 79 HD3 LYS 79 9.762 9.340 -0.257 673 HE2 LYS 79 HE2 LYS 79 10.071 11.558 1.787 674 HE3 LYS 79 HE3 LYS 79 11.062 11.513 0.322 675 HZ1 LYS 79 HZ1 LYS 79 8.109 11.565 0.353 676 HZ2 LYS 79 HZ2 LYS 79 9.045 11.462 -0.994 677 HZ3 LYS 79 HZ3 LYS 79 9.120 12.802 -0.036 678 H ILE 80 HN ILE 80 6.988 8.432 4.715 679 HA ILE 80 HA ILE 80 5.875 6.311 3.015 680 HB ILE 80 HB ILE 80 4.966 6.847 5.879 681 HG12 ILE 80 HG12 ILE 80 6.403 4.424 4.702 682 HG13 ILE 80 HG13 ILE 80 7.036 5.555 5.904 683 HG21 ILE 80 HG21 ILE 80 3.323 5.064 5.549 684 HG22 ILE 80 HG22 ILE 80 3.089 6.262 4.305 685 HG23 ILE 80 HG23 ILE 80 3.931 4.751 3.914 686 HD11 ILE 80 HD11 ILE 80 6.403 3.687 7.163 687 HD12 ILE 80 HD12 ILE 80 5.088 4.846 7.413 688 HD13 ILE 80 HD13 ILE 80 4.875 3.486 6.283 689 H ALA 81 HN ALA 81 3.971 7.056 2.009 690 HA ALA 81 HA ALA 81 2.564 9.357 3.070 691 HB1 ALA 81 HB1 ALA 81 4.052 10.618 1.670 692 HB2 ALA 81 HB2 ALA 81 3.743 9.557 0.278 693 HB3 ALA 81 HB3 ALA 81 2.448 10.582 0.928 694 H ILE 82 HN ILE 82 0.821 8.245 3.339 695 HA ILE 82 HA ILE 82 -0.527 6.506 1.484 696 HB ILE 82 HB ILE 82 -1.253 8.190 3.892 697 HG12 ILE 82 HG12 ILE 82 -0.027 5.997 4.127 698 HG13 ILE 82 HG13 ILE 82 -1.548 6.093 5.002 699 HG21 ILE 82 HG21 ILE 82 -3.225 6.683 2.175 700 HG22 ILE 82 HG22 ILE 82 -3.558 7.178 3.845 701 HG23 ILE 82 HG23 ILE 82 -3.271 8.398 2.596 702 HD11 ILE 82 HD11 ILE 82 -1.360 4.774 2.268 703 HD12 ILE 82 HD12 ILE 82 -1.115 3.901 3.768 704 HD13 ILE 82 HD13 ILE 82 -2.672 4.677 3.452 705 H LEU 83 HN LEU 83 -1.554 7.003 -0.384 706 HA LEU 83 HA LEU 83 -1.650 9.854 -1.208 707 HB2 LEU 83 HB2 LEU 83 0.005 8.053 -2.231 708 HB3 LEU 83 HB3 LEU 83 -1.463 7.357 -2.892 709 HG LEU 83 HG LEU 83 -1.700 10.057 -3.583 710 HD11 LEU 83 HD11 LEU 83 1.206 9.182 -3.964 711 HD12 LEU 83 HD12 LEU 83 0.643 10.440 -2.842 712 HD13 LEU 83 HD13 LEU 83 0.468 10.684 -4.574 713 HD21 LEU 83 HD21 LEU 83 -2.252 8.122 -4.994 714 HD22 LEU 83 HD22 LEU 83 -0.502 7.860 -5.303 715 HD23 LEU 83 HD23 LEU 83 -1.336 9.324 -5.845 716 H GLU 84 HN GLU 84 -3.541 10.283 -2.710 717 HA GLU 84 HA GLU 84 -5.682 8.272 -2.717 718 HB2 GLU 84 HB2 GLU 84 -5.821 11.099 -1.579 719 HB3 GLU 84 HB3 GLU 84 -7.227 10.382 -2.377 720 HG2 GLU 84 HG2 GLU 84 -7.738 9.098 -0.674 721 HG3 GLU 84 HG3 GLU 84 -6.146 8.423 -0.549 722 H GLU 85 HN GLU 85 -6.792 8.258 -4.613 723 HA GLU 85 HA GLU 85 -5.889 10.112 -6.686 724 HB2 GLU 85 HB2 GLU 85 -6.206 7.818 -7.348 725 HB3 GLU 85 HB3 GLU 85 -7.854 7.814 -6.699 726 HG2 GLU 85 HG2 GLU 85 -7.809 7.888 -9.129 727 HG3 GLU 85 HG3 GLU 85 -8.642 9.266 -8.457 728 H TYR 86 HN TYR 86 -7.534 11.581 -7.747 729 HA TYR 86 HA TYR 86 -10.151 11.847 -6.555 730 HB2 TYR 86 HB2 TYR 86 -9.960 14.327 -6.371 731 HB3 TYR 86 HB3 TYR 86 -9.064 13.430 -5.158 732 HD1 TYR 86 HD2 TYR 86 -8.695 15.421 -8.304 733 HD2 TYR 86 HD1 TYR 86 -6.705 13.656 -4.902 734 HE1 TYR 86 HE2 TYR 86 -6.674 16.721 -8.828 735 HE2 TYR 86 HE1 TYR 86 -4.682 14.976 -5.389 736 HH TYR 86 HH TYR 86 -3.762 16.622 -6.675 737 H GLN 87 HN GLN 87 -11.440 13.406 -7.987 738 HA GLN 87 HA GLN 87 -10.679 13.247 -10.818 739 HB2 GLN 87 HB2 GLN 87 -12.958 11.712 -9.492 740 HB3 GLN 87 HB3 GLN 87 -12.871 11.954 -11.236 741 HG2 GLN 87 HG2 GLN 87 -11.124 10.485 -11.549 742 HG3 GLN 87 HG3 GLN 87 -10.525 10.606 -9.901 743 HE21 GLN 87 HE21 GLN 87 -11.260 9.191 -8.291 744 HE22 GLN 87 HE22 GLN 87 -12.446 7.975 -8.596 Start of MODEL 32 1 H1 GLY 1 HN GLY 1 -17.583 -12.334 -6.779 2 HA2 GLY 1 HA1 GLY 1 -18.309 -11.274 -4.106 3 HA3 GLY 1 HA2 GLY 1 -18.589 -12.941 -4.606 4 H GLU 2 HN GLU 2 -15.705 -10.652 -4.647 5 HA GLU 2 HA GLU 2 -14.800 -11.825 -2.381 6 HB2 GLU 2 HB2 GLU 2 -12.603 -12.599 -2.937 7 HB3 GLU 2 HB3 GLU 2 -13.776 -13.575 -3.801 8 HG2 GLU 2 HG2 GLU 2 -13.259 -12.369 -5.899 9 HG3 GLU 2 HG3 GLU 2 -12.117 -11.333 -5.034 10 H GLU 3 HN GLU 3 -12.774 -10.465 -1.726 11 HA GLU 3 HA GLU 3 -12.815 -7.812 -3.133 12 HB2 GLU 3 HB2 GLU 3 -11.736 -8.634 -0.402 13 HB3 GLU 3 HB3 GLU 3 -11.420 -7.101 -1.172 14 HG2 GLU 3 HG2 GLU 3 -13.168 -6.659 0.330 15 HG3 GLU 3 HG3 GLU 3 -13.940 -6.692 -1.260 16 H THR 4 HN THR 4 -10.717 -10.515 -1.956 17 HA THR 4 HA THR 4 -8.711 -9.763 -3.953 18 HB THR 4 HB THR 4 -7.038 -10.155 -1.785 19 HG1 THR 4 HG1 THR 4 -9.451 -9.158 -0.922 20 HG21 THR 4 HG21 THR 4 -6.843 -8.361 -3.473 21 HG22 THR 4 HG22 THR 4 -6.683 -7.726 -1.833 22 HG23 THR 4 HG23 THR 4 -8.198 -7.486 -2.726 23 HA PRO 5 HA PRO 5 -8.532 -14.050 -4.239 24 HB2 PRO 5 HB2 PRO 5 -6.092 -14.555 -5.387 25 HB3 PRO 5 HB3 PRO 5 -7.444 -13.716 -6.206 26 HG2 PRO 5 HG2 PRO 5 -5.029 -12.488 -4.862 27 HG3 PRO 5 HG3 PRO 5 -5.739 -12.079 -6.450 28 HD2 PRO 5 HD2 PRO 5 -6.287 -10.654 -4.172 29 HD3 PRO 5 HD3 PRO 5 -7.490 -10.876 -5.472 30 H LEU 6 HN LEU 6 -5.934 -12.610 -2.305 31 HA LEU 6 HA LEU 6 -5.271 -15.210 -1.017 32 HB2 LEU 6 HB2 LEU 6 -4.157 -12.423 -0.541 33 HB3 LEU 6 HB3 LEU 6 -3.727 -13.871 0.335 34 HG LEU 6 HG LEU 6 -3.384 -14.699 -2.316 35 HD11 LEU 6 HD11 LEU 6 -2.091 -12.962 -3.461 36 HD12 LEU 6 HD12 LEU 6 -2.343 -11.853 -2.095 37 HD13 LEU 6 HD13 LEU 6 -3.708 -12.336 -3.079 38 HD21 LEU 6 HD21 LEU 6 -1.855 -15.210 -0.476 39 HD22 LEU 6 HD22 LEU 6 -1.267 -13.538 -0.467 40 HD23 LEU 6 HD23 LEU 6 -0.971 -14.581 -1.876 41 H VAL 7 HN VAL 7 -7.441 -15.494 -0.481 42 HA VAL 7 HA VAL 7 -8.948 -13.725 1.164 43 HB VAL 7 HB VAL 7 -9.141 -16.711 0.651 44 HG11 VAL 7 HG11 VAL 7 -11.603 -16.445 1.103 45 HG12 VAL 7 HG12 VAL 7 -10.583 -16.272 2.522 46 HG13 VAL 7 HG13 VAL 7 -11.244 -14.819 1.728 47 HG21 VAL 7 HG21 VAL 7 -9.275 -15.396 -1.459 48 HG22 VAL 7 HG22 VAL 7 -10.839 -16.106 -1.072 49 HG23 VAL 7 HG23 VAL 7 -10.544 -14.393 -0.751 50 H THR 8 HN THR 8 -6.220 -15.684 2.027 51 HA THR 8 HA THR 8 -7.127 -15.718 4.878 52 HB THR 8 HB THR 8 -5.317 -17.897 3.929 53 HG1 THR 8 HG1 THR 8 -6.916 -17.910 2.306 54 HG21 THR 8 HG21 THR 8 -6.059 -17.783 6.302 55 HG22 THR 8 HG22 THR 8 -6.720 -19.218 5.527 56 HG23 THR 8 HG23 THR 8 -7.754 -17.805 5.779 57 H ALA 9 HN ALA 9 -5.086 -16.193 6.383 58 HA ALA 9 HA ALA 9 -3.203 -14.027 5.757 59 HB1 ALA 9 HB1 ALA 9 -4.317 -13.957 7.908 60 HB2 ALA 9 HB2 ALA 9 -3.767 -15.612 8.291 61 HB3 ALA 9 HB3 ALA 9 -2.591 -14.297 8.158 62 H ARG 10 HN ARG 10 -2.205 -15.408 3.967 63 HA ARG 10 HA ARG 10 0.065 -16.910 5.091 64 HB2 ARG 10 HB2 ARG 10 -1.993 -17.823 3.035 65 HB3 ARG 10 HB3 ARG 10 -0.303 -18.218 2.793 66 HG2 ARG 10 HG2 ARG 10 -0.235 -19.156 5.124 67 HG3 ARG 10 HG3 ARG 10 -1.981 -18.968 5.233 68 HD2 ARG 10 HD2 ARG 10 -0.932 -20.446 2.836 69 HD3 ARG 10 HD3 ARG 10 -0.618 -21.201 4.401 70 HE ARG 10 HE ARG 10 -3.352 -20.476 4.337 71 HH11 ARG 10 HH11 ARG 10 -1.193 -22.717 2.636 72 HH12 ARG 10 HH12 ARG 10 -2.361 -23.966 2.472 73 HH21 ARG 10 HH21 ARG 10 -4.929 -22.058 4.006 74 HH22 ARG 10 HH22 ARG 10 -4.590 -23.617 3.357 75 H HIS 11 HN HIS 11 1.859 -16.772 3.839 76 HA HIS 11 HA HIS 11 3.416 -15.807 2.513 77 HB2 HIS 11 HB2 HIS 11 1.910 -17.834 1.607 78 HB3 HIS 11 HB3 HIS 11 1.560 -16.714 0.315 79 HD1 HIS 11 HD1 HIS 11 3.428 -16.749 -1.590 80 HD2 HIS 11 HD2 HIS 11 4.590 -18.343 2.147 81 HE1 HIS 11 HE1 HIS 11 5.694 -17.842 -1.933 82 H MET 12 HN MET 12 3.610 -13.595 2.757 83 HA MET 12 HA MET 12 2.339 -11.945 0.617 84 HB2 MET 12 HB2 MET 12 2.450 -11.406 3.594 85 HB3 MET 12 HB3 MET 12 2.052 -10.155 2.400 86 HG2 MET 12 HG2 MET 12 0.116 -11.500 1.616 87 HG3 MET 12 HG3 MET 12 0.519 -12.725 2.810 88 HE1 MET 12 HE1 MET 12 -0.371 -8.859 2.563 89 HE2 MET 12 HE2 MET 12 -1.762 -9.834 2.067 90 HE3 MET 12 HE3 MET 12 -1.826 -8.860 3.560 91 H SER 13 HN SER 13 3.463 -9.581 0.957 92 HA SER 13 HA SER 13 6.261 -10.021 0.236 93 HB2 SER 13 HB2 SER 13 4.590 -8.379 -0.882 94 HB3 SER 13 HB3 SER 13 4.842 -7.353 0.542 95 HG SER 13 HG SER 13 6.522 -7.910 -1.598 96 H LYS 14 HN LYS 14 7.636 -8.002 1.090 97 HA LYS 14 HA LYS 14 8.080 -8.240 3.966 98 HB2 LYS 14 HB2 LYS 14 9.943 -7.723 2.360 99 HB3 LYS 14 HB3 LYS 14 9.106 -6.224 1.917 100 HG2 LYS 14 HG2 LYS 14 10.880 -5.641 3.376 101 HG3 LYS 14 HG3 LYS 14 9.377 -5.360 4.206 102 HD2 LYS 14 HD2 LYS 14 9.889 -7.891 5.101 103 HD3 LYS 14 HD3 LYS 14 11.546 -7.368 4.790 104 HE2 LYS 14 HE2 LYS 14 11.285 -5.463 6.307 105 HE3 LYS 14 HE3 LYS 14 9.533 -5.689 6.340 106 HZ1 LYS 14 HZ1 LYS 14 11.475 -7.539 7.575 107 HZ2 LYS 14 HZ2 LYS 14 9.808 -7.750 7.448 108 HZ3 LYS 14 HZ3 LYS 14 10.418 -6.510 8.312 109 H TRP 15 HN TRP 15 6.582 -5.781 1.802 110 HA TRP 15 HA TRP 15 6.034 -4.067 4.150 111 HB2 TRP 15 HB2 TRP 15 6.280 -3.397 1.199 112 HB3 TRP 15 HB3 TRP 15 6.022 -2.252 2.497 113 HD1 TRP 15 HD1 TRP 15 8.711 -3.770 0.530 114 HE1 TRP 15 HE1 TRP 15 11.011 -2.986 1.418 115 HE3 TRP 15 HE3 TRP 15 7.237 -1.598 4.894 116 HZ2 TRP 15 HZ2 TRP 15 12.084 -2.052 3.971 117 HZ3 TRP 15 HZ3 TRP 15 8.868 -0.811 6.528 118 HH2 TRP 15 HH2 TRP 15 11.336 -1.119 6.116 119 H GLU 16 HN GLU 16 4.305 -6.299 2.711 120 HA GLU 16 HA GLU 16 2.079 -5.030 1.460 121 HB2 GLU 16 HB2 GLU 16 2.773 -7.723 2.555 122 HB3 GLU 16 HB3 GLU 16 1.065 -7.371 2.544 123 HG2 GLU 16 HG2 GLU 16 2.731 -6.952 0.053 124 HG3 GLU 16 HG3 GLU 16 2.197 -8.553 0.533 125 H GLU 17 HN GLU 17 2.427 -6.257 4.885 126 HA GLU 17 HA GLU 17 -0.225 -5.404 5.589 127 HB2 GLU 17 HB2 GLU 17 2.042 -6.725 6.863 128 HB3 GLU 17 HB3 GLU 17 1.506 -5.424 7.895 129 HG2 GLU 17 HG2 GLU 17 -0.736 -7.047 6.794 130 HG3 GLU 17 HG3 GLU 17 0.444 -7.991 7.667 131 H ILE 18 HN ILE 18 2.987 -3.896 5.862 132 HA ILE 18 HA ILE 18 2.242 -1.599 7.342 133 HB ILE 18 HB ILE 18 4.396 -2.036 5.258 134 HG12 ILE 18 HG12 ILE 18 4.684 -1.892 8.304 135 HG13 ILE 18 HG13 ILE 18 4.246 -3.398 7.565 136 HG21 ILE 18 HG21 ILE 18 4.164 0.360 5.479 137 HG22 ILE 18 HG22 ILE 18 4.121 0.261 7.248 138 HG23 ILE 18 HG23 ILE 18 5.609 -0.116 6.351 139 HD11 ILE 18 HD11 ILE 18 6.358 -3.355 6.201 140 HD12 ILE 18 HD12 ILE 18 6.848 -1.923 7.149 141 HD13 ILE 18 HD13 ILE 18 6.591 -3.477 7.948 142 H ALA 19 HN ALA 19 2.045 -2.236 3.794 143 HA ALA 19 HA ALA 19 1.027 0.327 3.198 144 HB1 ALA 19 HB1 ALA 19 1.878 -1.138 1.446 145 HB2 ALA 19 HB2 ALA 19 0.552 -2.291 1.712 146 HB3 ALA 19 HB3 ALA 19 0.201 -0.668 1.113 147 H VAL 20 HN VAL 20 -0.727 -2.815 3.688 148 HA VAL 20 HA VAL 20 -3.298 -1.814 3.454 149 HB VAL 20 HB VAL 20 -2.461 -4.078 5.327 150 HG11 VAL 20 HG11 VAL 20 -5.125 -3.524 3.945 151 HG12 VAL 20 HG12 VAL 20 -4.731 -4.963 4.912 152 HG13 VAL 20 HG13 VAL 20 -4.793 -3.383 5.685 153 HG21 VAL 20 HG21 VAL 20 -2.829 -3.973 2.331 154 HG22 VAL 20 HG22 VAL 20 -1.634 -4.847 3.294 155 HG23 VAL 20 HG23 VAL 20 -3.263 -5.453 3.218 156 H LYS 21 HN LYS 21 -1.401 -1.921 6.575 157 HA LYS 21 HA LYS 21 -3.631 -0.971 8.098 158 HB2 LYS 21 HB2 LYS 21 -1.708 -0.063 9.686 159 HB3 LYS 21 HB3 LYS 21 -2.276 -1.727 9.682 160 HG2 LYS 21 HG2 LYS 21 -0.488 -2.573 8.626 161 HG3 LYS 21 HG3 LYS 21 -0.088 -1.033 7.823 162 HD2 LYS 21 HD2 LYS 21 1.284 -0.388 9.444 163 HD3 LYS 21 HD3 LYS 21 0.192 -0.903 10.749 164 HE2 LYS 21 HE2 LYS 21 0.891 -3.227 10.509 165 HE3 LYS 21 HE3 LYS 21 1.857 -2.844 9.081 166 HZ1 LYS 21 HZ1 LYS 21 2.376 -1.899 11.830 167 HZ2 LYS 21 HZ2 LYS 21 3.187 -1.394 10.512 168 HZ3 LYS 21 HZ3 LYS 21 3.301 -2.973 10.948 169 H GLU 22 HN GLU 22 -0.892 0.861 6.575 170 HA GLU 22 HA GLU 22 -1.803 3.368 7.575 171 HB2 GLU 22 HB2 GLU 22 -0.161 2.640 5.173 172 HB3 GLU 22 HB3 GLU 22 -0.678 4.291 5.562 173 HG2 GLU 22 HG2 GLU 22 0.608 2.844 7.787 174 HG3 GLU 22 HG3 GLU 22 1.664 3.256 6.449 175 H ALA 23 HN ALA 23 -2.581 1.605 4.540 176 HA ALA 23 HA ALA 23 -4.282 3.506 3.389 177 HB1 ALA 23 HB1 ALA 23 -4.355 0.484 3.176 178 HB2 ALA 23 HB2 ALA 23 -5.091 1.631 2.034 179 HB3 ALA 23 HB3 ALA 23 -3.322 1.580 2.219 180 H LYS 24 HN LYS 24 -4.989 1.521 6.197 181 HA LYS 24 HA LYS 24 -7.918 2.134 5.888 182 HB2 LYS 24 HB2 LYS 24 -8.497 0.403 7.122 183 HB3 LYS 24 HB3 LYS 24 -7.094 -0.230 6.267 184 HG2 LYS 24 HG2 LYS 24 -5.752 0.206 8.390 185 HG3 LYS 24 HG3 LYS 24 -7.284 0.680 9.129 186 HD2 LYS 24 HD2 LYS 24 -6.936 -1.572 9.769 187 HD3 LYS 24 HD3 LYS 24 -8.149 -1.668 8.486 188 HE2 LYS 24 HE2 LYS 24 -6.342 -2.268 6.851 189 HE3 LYS 24 HE3 LYS 24 -5.145 -2.082 8.138 190 HZ1 LYS 24 HZ1 LYS 24 -7.097 -4.226 7.810 191 HZ2 LYS 24 HZ2 LYS 24 -6.480 -3.871 9.313 192 HZ3 LYS 24 HZ3 LYS 24 -5.492 -4.336 8.111 193 H LYS 25 HN LYS 25 -5.102 2.567 8.130 194 HA LYS 25 HA LYS 25 -6.722 3.901 10.088 195 HB2 LYS 25 HB2 LYS 25 -4.656 4.601 11.142 196 HB3 LYS 25 HB3 LYS 25 -4.734 2.878 10.805 197 HG2 LYS 25 HG2 LYS 25 -2.820 2.929 9.696 198 HG3 LYS 25 HG3 LYS 25 -3.368 4.242 8.642 199 HD2 LYS 25 HD2 LYS 25 -2.230 4.658 11.422 200 HD3 LYS 25 HD3 LYS 25 -1.276 4.644 9.941 201 HE2 LYS 25 HE2 LYS 25 -2.825 6.490 9.054 202 HE3 LYS 25 HE3 LYS 25 -3.451 6.621 10.714 203 HZ1 LYS 25 HZ1 LYS 25 -1.018 6.921 11.326 204 HZ2 LYS 25 HZ2 LYS 25 -1.708 8.177 10.460 205 HZ3 LYS 25 HZ3 LYS 25 -0.714 7.098 9.735 206 H ARG 26 HN ARG 26 -4.751 5.174 7.396 207 HA ARG 26 HA ARG 26 -5.126 7.941 8.145 208 HB2 ARG 26 HB2 ARG 26 -3.272 7.071 6.769 209 HB3 ARG 26 HB3 ARG 26 -4.392 6.829 5.428 210 HG2 ARG 26 HG2 ARG 26 -4.481 9.045 4.918 211 HG3 ARG 26 HG3 ARG 26 -4.574 9.568 6.598 212 HD2 ARG 26 HD2 ARG 26 -1.943 8.500 5.898 213 HD3 ARG 26 HD3 ARG 26 -2.418 9.911 4.940 214 HE ARG 26 HE ARG 26 -3.022 10.523 7.591 215 HH11 ARG 26 HH11 ARG 26 -0.122 9.749 5.708 216 HH12 ARG 26 HH12 ARG 26 0.869 10.950 6.483 217 HH21 ARG 26 HH21 ARG 26 -1.551 11.976 8.807 218 HH22 ARG 26 HH22 ARG 26 0.057 12.172 8.157 219 H TYR 27 HN TYR 27 -7.638 5.889 7.294 220 HA TYR 27 HA TYR 27 -9.083 8.036 5.838 221 HB2 TYR 27 HB2 TYR 27 -8.855 5.112 5.047 222 HB3 TYR 27 HB3 TYR 27 -10.050 6.240 4.416 223 HD1 TYR 27 HD2 TYR 27 -9.406 8.098 2.896 224 HD2 TYR 27 HD1 TYR 27 -6.512 5.252 4.346 225 HE1 TYR 27 HE2 TYR 27 -7.753 8.965 1.287 226 HE2 TYR 27 HE1 TYR 27 -4.885 6.024 2.659 227 HH TYR 27 HH TYR 27 -4.665 7.414 0.623 228 HA PRO 28 HA PRO 28 -11.154 6.299 9.588 229 HB2 PRO 28 HB2 PRO 28 -11.935 8.737 10.645 230 HB3 PRO 28 HB3 PRO 28 -10.386 7.918 10.992 231 HG2 PRO 28 HG2 PRO 28 -10.923 10.221 9.131 232 HG3 PRO 28 HG3 PRO 28 -9.456 9.864 10.100 233 HD2 PRO 28 HD2 PRO 28 -9.645 9.405 7.423 234 HD3 PRO 28 HD3 PRO 28 -8.554 8.546 8.559 235 H LEU 29 HN LEU 29 -12.178 8.487 7.069 236 HA LEU 29 HA LEU 29 -14.989 8.418 7.692 237 HB2 LEU 29 HB2 LEU 29 -13.386 9.340 5.285 238 HB3 LEU 29 HB3 LEU 29 -15.135 9.306 5.258 239 HG LEU 29 HG LEU 29 -14.356 11.528 5.759 240 HD11 LEU 29 HD11 LEU 29 -15.599 10.418 8.282 241 HD12 LEU 29 HD12 LEU 29 -16.492 10.700 6.777 242 HD13 LEU 29 HD13 LEU 29 -15.731 12.057 7.627 243 HD21 LEU 29 HD21 LEU 29 -12.226 10.925 6.928 244 HD22 LEU 29 HD22 LEU 29 -13.211 10.461 8.354 245 HD23 LEU 29 HD23 LEU 29 -13.208 12.129 7.771 246 H ALA 30 HN ALA 30 -12.886 6.092 6.166 247 HA ALA 30 HA ALA 30 -15.029 4.971 4.441 248 HB1 ALA 30 HB1 ALA 30 -13.810 6.599 3.098 249 HB2 ALA 30 HB2 ALA 30 -12.257 5.982 3.680 250 HB3 ALA 30 HB3 ALA 30 -13.267 4.980 2.611 251 H GLN 31 HN GLN 31 -14.109 2.891 3.378 252 HA GLN 31 HA GLN 31 -12.833 1.332 5.607 253 HB2 GLN 31 HB2 GLN 31 -15.124 0.464 3.828 254 HB3 GLN 31 HB3 GLN 31 -14.370 -0.475 5.115 255 HG2 GLN 31 HG2 GLN 31 -15.718 0.425 6.658 256 HG3 GLN 31 HG3 GLN 31 -15.064 2.014 6.301 257 HE21 GLN 31 HE21 GLN 31 -16.171 2.267 3.572 258 HE22 GLN 31 HE22 GLN 31 -17.917 2.381 3.790 259 H VAL 32 HN VAL 32 -11.309 0.009 5.133 260 HA VAL 32 HA VAL 32 -10.194 -0.238 2.480 261 HB VAL 32 HB VAL 32 -9.060 -0.022 4.789 262 HG11 VAL 32 HG11 VAL 32 -8.382 -2.084 5.895 263 HG12 VAL 32 HG12 VAL 32 -10.154 -1.974 5.857 264 HG13 VAL 32 HG13 VAL 32 -9.290 -3.042 4.720 265 HG21 VAL 32 HG21 VAL 32 -7.035 -1.258 4.052 266 HG22 VAL 32 HG22 VAL 32 -7.989 -1.918 2.705 267 HG23 VAL 32 HG23 VAL 32 -7.735 -0.161 2.859 268 H LEU 33 HN LEU 33 -10.443 -1.894 0.993 269 HA LEU 33 HA LEU 33 -11.252 -4.555 1.806 270 HB2 LEU 33 HB2 LEU 33 -13.078 -4.348 -0.073 271 HB3 LEU 33 HB3 LEU 33 -13.436 -4.060 1.581 272 HG LEU 33 HG LEU 33 -12.653 -1.608 0.076 273 HD11 LEU 33 HD11 LEU 33 -15.213 -3.110 -0.619 274 HD12 LEU 33 HD12 LEU 33 -13.826 -2.793 -1.689 275 HD13 LEU 33 HD13 LEU 33 -14.783 -1.442 -1.077 276 HD21 LEU 33 HD21 LEU 33 -15.167 -2.251 1.693 277 HD22 LEU 33 HD22 LEU 33 -14.541 -0.649 1.224 278 HD23 LEU 33 HD23 LEU 33 -13.680 -1.622 2.405 279 H PHE 34 HN PHE 34 -8.756 -3.567 0.719 280 HA PHE 34 HA PHE 34 -8.654 -5.419 -1.457 281 HB2 PHE 34 HB2 PHE 34 -9.088 -2.694 -2.178 282 HB3 PHE 34 HB3 PHE 34 -7.394 -3.016 -2.536 283 HD1 PHE 34 HD2 PHE 34 -6.834 -4.997 -4.131 284 HD2 PHE 34 HD1 PHE 34 -10.871 -3.617 -3.432 285 HE1 PHE 34 HE2 PHE 34 -7.583 -6.182 -6.145 286 HE2 PHE 34 HE1 PHE 34 -11.605 -4.827 -5.485 287 HZ PHE 34 HZ PHE 34 -9.958 -6.110 -6.829 288 H LYS 35 HN LYS 35 -6.276 -5.521 -2.258 289 HA LYS 35 HA LYS 35 -4.085 -4.322 -1.134 290 HB2 LYS 35 HB2 LYS 35 -3.176 -6.247 0.310 291 HB3 LYS 35 HB3 LYS 35 -4.284 -5.080 1.031 292 HG2 LYS 35 HG2 LYS 35 -6.077 -6.535 1.058 293 HG3 LYS 35 HG3 LYS 35 -5.353 -7.663 -0.092 294 HD2 LYS 35 HD2 LYS 35 -3.641 -8.188 1.730 295 HD3 LYS 35 HD3 LYS 35 -4.701 -7.255 2.828 296 HE2 LYS 35 HE2 LYS 35 -6.613 -8.739 1.762 297 HE3 LYS 35 HE3 LYS 35 -5.289 -9.800 1.261 298 HZ1 LYS 35 HZ1 LYS 35 -6.060 -9.034 4.008 299 HZ2 LYS 35 HZ2 LYS 35 -4.655 -9.777 3.706 300 HZ3 LYS 35 HZ3 LYS 35 -6.065 -10.558 3.367 301 H GLN 36 HN GLN 36 -3.085 -4.544 -3.048 302 HA GLN 36 HA GLN 36 -2.011 -7.216 -3.687 303 HB2 GLN 36 HB2 GLN 36 -4.002 -6.992 -5.136 304 HB3 GLN 36 HB3 GLN 36 -3.409 -5.441 -5.731 305 HG2 GLN 36 HG2 GLN 36 -3.001 -7.160 -7.372 306 HG3 GLN 36 HG3 GLN 36 -1.478 -6.545 -6.776 307 HE21 GLN 36 HE21 GLN 36 -3.839 -9.239 -6.363 308 HE22 GLN 36 HE22 GLN 36 -2.634 -10.481 -6.151 309 H LYS 37 HN LYS 37 0.080 -7.094 -4.645 310 HA LYS 37 HA LYS 37 1.387 -4.424 -4.550 311 HB2 LYS 37 HB2 LYS 37 3.470 -5.554 -4.506 312 HB3 LYS 37 HB3 LYS 37 2.417 -6.397 -3.369 313 HG2 LYS 37 HG2 LYS 37 1.979 -8.128 -5.168 314 HG3 LYS 37 HG3 LYS 37 3.222 -7.318 -6.147 315 HD2 LYS 37 HD2 LYS 37 4.913 -7.754 -4.479 316 HD3 LYS 37 HD3 LYS 37 3.721 -8.503 -3.400 317 HE2 LYS 37 HE2 LYS 37 3.199 -10.173 -5.191 318 HE3 LYS 37 HE3 LYS 37 4.438 -9.439 -6.215 319 HZ1 LYS 37 HZ1 LYS 37 4.860 -10.949 -3.710 320 HZ2 LYS 37 HZ2 LYS 37 6.044 -10.048 -4.412 321 HZ3 LYS 37 HZ3 LYS 37 5.392 -11.290 -5.232 322 H VAL 38 HN VAL 38 1.967 -3.370 -6.439 323 HA VAL 38 HA VAL 38 1.735 -4.854 -8.992 324 HB VAL 38 HB VAL 38 -0.434 -4.039 -8.327 325 HG11 VAL 38 HG11 VAL 38 0.742 -1.254 -8.397 326 HG12 VAL 38 HG12 VAL 38 -0.992 -1.622 -8.360 327 HG13 VAL 38 HG13 VAL 38 0.035 -2.087 -6.995 328 HG21 VAL 38 HG21 VAL 38 0.403 -2.417 -10.732 329 HG22 VAL 38 HG22 VAL 38 0.245 -4.191 -10.743 330 HG23 VAL 38 HG23 VAL 38 -1.150 -3.187 -10.364 331 H TRP 39 HN TRP 39 4.030 -3.594 -7.388 332 HA TRP 39 HA TRP 39 5.375 -2.806 -9.800 333 HB2 TRP 39 HB2 TRP 39 4.442 -0.630 -8.690 334 HB3 TRP 39 HB3 TRP 39 5.626 -0.906 -7.426 335 HD1 TRP 39 HD1 TRP 39 6.278 -1.362 -11.205 336 HE1 TRP 39 HE1 TRP 39 7.968 0.345 -12.020 337 HE3 TRP 39 HE3 TRP 39 6.965 1.327 -6.880 338 HZ2 TRP 39 HZ2 TRP 39 8.864 2.939 -11.189 339 HZ3 TRP 39 HZ3 TRP 39 8.384 3.382 -6.954 340 HH2 TRP 39 HH2 TRP 39 9.252 4.217 -9.090 341 H ASP 40 HN ASP 40 7.726 -3.145 -9.532 342 HA ASP 40 HA ASP 40 8.795 -3.365 -6.890 343 HB2 ASP 40 HB2 ASP 40 8.230 -5.804 -7.253 344 HB3 ASP 40 HB3 ASP 40 9.283 -5.798 -8.668 345 H ARG 41 HN ARG 41 10.631 -2.178 -7.015 346 HA ARG 41 HA ARG 41 12.517 -2.517 -9.178 347 HB2 ARG 41 HB2 ARG 41 12.833 -0.040 -9.346 348 HB3 ARG 41 HB3 ARG 41 11.489 -0.738 -10.241 349 HG2 ARG 41 HG2 ARG 41 9.988 0.502 -9.117 350 HG3 ARG 41 HG3 ARG 41 10.710 0.203 -7.552 351 HD2 ARG 41 HD2 ARG 41 10.991 2.464 -7.906 352 HD3 ARG 41 HD3 ARG 41 12.593 1.818 -8.198 353 HE ARG 41 HE ARG 41 11.048 1.916 -10.634 354 HH11 ARG 41 HH11 ARG 41 12.668 4.283 -8.515 355 HH12 ARG 41 HH12 ARG 41 13.297 5.181 -9.894 356 HH21 ARG 41 HH21 ARG 41 11.490 3.435 -12.314 357 HH22 ARG 41 HH22 ARG 41 12.477 4.802 -11.951 358 H LYS 42 HN LYS 42 14.556 -1.128 -8.465 359 HA LYS 42 HA LYS 42 14.417 -0.362 -5.633 360 HB2 LYS 42 HB2 LYS 42 16.010 -2.532 -6.491 361 HB3 LYS 42 HB3 LYS 42 17.137 -1.195 -6.302 362 HG2 LYS 42 HG2 LYS 42 16.571 -0.918 -4.019 363 HG3 LYS 42 HG3 LYS 42 15.079 -1.873 -4.176 364 HD2 LYS 42 HD2 LYS 42 16.683 -3.164 -2.967 365 HD3 LYS 42 HD3 LYS 42 16.397 -3.936 -4.511 366 HE2 LYS 42 HE2 LYS 42 18.697 -1.995 -4.243 367 HE3 LYS 42 HE3 LYS 42 18.840 -3.589 -3.514 368 HZ1 LYS 42 HZ1 LYS 42 18.296 -3.187 -6.389 369 HZ2 LYS 42 HZ2 LYS 42 18.576 -4.622 -5.600 370 HZ3 LYS 42 HZ3 LYS 42 19.757 -3.510 -5.691 371 H ARG 43 HN ARG 43 16.100 1.266 -5.189 372 HA ARG 43 HA ARG 43 16.776 2.903 -7.553 373 HB2 ARG 43 HB2 ARG 43 15.376 3.608 -5.147 374 HB3 ARG 43 HB3 ARG 43 16.971 4.293 -4.973 375 HG2 ARG 43 HG2 ARG 43 15.317 4.625 -7.491 376 HG3 ARG 43 HG3 ARG 43 15.084 5.662 -6.079 377 HD2 ARG 43 HD2 ARG 43 17.441 6.364 -6.143 378 HD3 ARG 43 HD3 ARG 43 17.708 5.375 -7.589 379 HE ARG 43 HE ARG 43 15.596 7.144 -8.154 380 HH11 ARG 43 HH11 ARG 43 18.811 7.878 -6.820 381 HH12 ARG 43 HH12 ARG 43 19.266 8.910 -8.100 382 HH21 ARG 43 HH21 ARG 43 16.259 8.653 -9.917 383 HH22 ARG 43 HH22 ARG 43 17.820 9.373 -9.794 384 H LYS 44 HN LYS 44 18.864 4.319 -6.468 385 HA LYS 44 HA LYS 44 20.947 2.284 -6.684 386 HB2 LYS 44 HB2 LYS 44 20.922 5.320 -6.344 387 HB3 LYS 44 HB3 LYS 44 22.422 4.380 -6.361 388 HG2 LYS 44 HG2 LYS 44 22.344 3.948 -8.559 389 HG3 LYS 44 HG3 LYS 44 20.597 3.717 -8.607 390 HD2 LYS 44 HD2 LYS 44 21.006 5.541 -9.961 391 HD3 LYS 44 HD3 LYS 44 20.342 6.235 -8.477 392 HE2 LYS 44 HE2 LYS 44 22.637 6.840 -7.735 393 HE3 LYS 44 HE3 LYS 44 23.312 6.054 -9.170 394 HZ1 LYS 44 HZ1 LYS 44 21.627 8.476 -9.107 395 HZ2 LYS 44 HZ2 LYS 44 22.017 7.704 -10.508 396 HZ3 LYS 44 HZ3 LYS 44 23.180 8.383 -9.518 397 H ASP 45 HN ASP 45 19.913 4.664 -4.251 398 HA ASP 45 HA ASP 45 21.681 3.437 -2.220 399 HB2 ASP 45 HB2 ASP 45 20.683 6.270 -2.147 400 HB3 ASP 45 HB3 ASP 45 22.193 5.595 -1.543 401 H GLU 46 HN GLU 46 18.551 3.303 -3.022 402 HA GLU 46 HA GLU 46 17.348 3.203 -0.464 403 HB2 GLU 46 HB2 GLU 46 17.437 5.770 -1.155 404 HB3 GLU 46 HB3 GLU 46 16.108 5.299 -2.235 405 HG2 GLU 46 HG2 GLU 46 15.003 4.238 -0.165 406 HG3 GLU 46 HG3 GLU 46 16.320 4.916 0.790 407 H ALA 47 HN ALA 47 14.760 2.871 -1.123 408 HA ALA 47 HA ALA 47 14.282 1.884 -3.828 409 HB1 ALA 47 HB1 ALA 47 13.922 0.216 -1.302 410 HB2 ALA 47 HB2 ALA 47 13.477 -0.273 -2.959 411 HB3 ALA 47 HB3 ALA 47 15.184 -0.063 -2.495 412 H VAL 48 HN VAL 48 11.924 1.569 -4.097 413 HA VAL 48 HA VAL 48 10.245 2.537 -1.873 414 HB VAL 48 HB VAL 48 9.620 3.556 -4.648 415 HG11 VAL 48 HG11 VAL 48 9.122 4.776 -1.892 416 HG12 VAL 48 HG12 VAL 48 8.398 5.267 -3.434 417 HG13 VAL 48 HG13 VAL 48 7.980 3.703 -2.714 418 HG21 VAL 48 HG21 VAL 48 11.442 5.039 -2.710 419 HG22 VAL 48 HG22 VAL 48 11.872 4.449 -4.334 420 HG23 VAL 48 HG23 VAL 48 10.681 5.729 -4.150 421 H LYS 49 HN LYS 49 8.401 1.286 -1.725 422 HA LYS 49 HA LYS 49 7.590 -0.397 -4.042 423 HB2 LYS 49 HB2 LYS 49 8.305 -1.428 -1.287 424 HB3 LYS 49 HB3 LYS 49 7.035 -2.211 -2.229 425 HG2 LYS 49 HG2 LYS 49 8.511 -2.793 -4.021 426 HG3 LYS 49 HG3 LYS 49 9.769 -1.709 -3.441 427 HD2 LYS 49 HD2 LYS 49 10.593 -3.775 -2.815 428 HD3 LYS 49 HD3 LYS 49 9.900 -3.149 -1.336 429 HE2 LYS 49 HE2 LYS 49 9.327 -5.421 -1.410 430 HE3 LYS 49 HE3 LYS 49 7.828 -4.565 -1.809 431 HZ1 LYS 49 HZ1 LYS 49 7.836 -5.518 -3.830 432 HZ2 LYS 49 HZ2 LYS 49 8.918 -6.574 -3.170 433 HZ3 LYS 49 HZ3 LYS 49 9.445 -5.317 -4.098 434 H GLN 50 HN GLN 50 6.181 1.395 -4.264 435 HA GLN 50 HA GLN 50 4.171 1.946 -2.236 436 HB2 GLN 50 HB2 GLN 50 4.329 2.527 -5.240 437 HB3 GLN 50 HB3 GLN 50 3.115 3.163 -4.151 438 HG2 GLN 50 HG2 GLN 50 4.495 4.892 -3.710 439 HG3 GLN 50 HG3 GLN 50 5.551 3.753 -2.834 440 HE21 GLN 50 HE21 GLN 50 5.728 6.199 -5.089 441 HE22 GLN 50 HE22 GLN 50 7.031 5.586 -6.059 442 H TYR 51 HN TYR 51 1.821 1.549 -2.689 443 HA TYR 51 HA TYR 51 1.327 -0.880 -4.317 444 HB2 TYR 51 HB2 TYR 51 0.282 -0.396 -1.491 445 HB3 TYR 51 HB3 TYR 51 -0.227 -1.650 -2.580 446 HD1 TYR 51 HD1 TYR 51 2.950 -0.409 -0.903 447 HD2 TYR 51 HD2 TYR 51 0.639 -3.797 -2.260 448 HE1 TYR 51 HE1 TYR 51 4.723 -1.914 -0.155 449 HE2 TYR 51 HE2 TYR 51 2.410 -5.295 -1.492 450 HH TYR 51 HH TYR 51 5.149 -4.859 -1.284 451 H HIS 52 HN HIS 52 -1.101 -1.068 -4.688 452 HA HIS 52 HA HIS 52 -2.516 1.547 -4.756 453 HB2 HIS 52 HB2 HIS 52 -2.052 0.615 -7.032 454 HB3 HIS 52 HB3 HIS 52 -2.787 -0.908 -6.550 455 HD1 HIS 52 HD1 HIS 52 -5.045 1.998 -5.461 456 HD2 HIS 52 HD2 HIS 52 -4.179 -0.339 -8.882 457 HE1 HIS 52 HE1 HIS 52 -6.974 2.282 -7.037 458 H LEU 53 HN LEU 53 -4.496 1.401 -3.592 459 HA LEU 53 HA LEU 53 -5.618 -1.186 -3.053 460 HB2 LEU 53 HB2 LEU 53 -5.263 0.749 -0.707 461 HB3 LEU 53 HB3 LEU 53 -6.269 -0.694 -0.826 462 HG LEU 53 HG LEU 53 -4.160 -1.994 -1.313 463 HD11 LEU 53 HD11 LEU 53 -2.468 -0.186 -1.384 464 HD12 LEU 53 HD12 LEU 53 -2.181 -1.221 0.016 465 HD13 LEU 53 HD13 LEU 53 -2.958 0.348 0.248 466 HD21 LEU 53 HD21 LEU 53 -5.685 -1.990 0.800 467 HD22 LEU 53 HD22 LEU 53 -4.414 -1.056 1.561 468 HD23 LEU 53 HD23 LEU 53 -4.079 -2.687 0.926 469 H THR 54 HN THR 54 -7.963 -0.725 -2.221 470 HA THR 54 HA THR 54 -9.094 1.678 -3.502 471 HB THR 54 HB THR 54 -9.518 -1.244 -4.094 472 HG1 THR 54 HG1 THR 54 -9.224 0.687 -6.076 473 HG21 THR 54 HG21 THR 54 -11.715 -0.740 -4.271 474 HG22 THR 54 HG22 THR 54 -11.197 -0.375 -5.900 475 HG23 THR 54 HG23 THR 54 -11.442 0.955 -4.742 476 H LEU 55 HN LEU 55 -10.360 2.501 -2.136 477 HA LEU 55 HA LEU 55 -11.547 1.011 0.228 478 HB2 LEU 55 HB2 LEU 55 -10.687 3.900 -0.035 479 HB3 LEU 55 HB3 LEU 55 -11.786 3.355 1.202 480 HG LEU 55 HG LEU 55 -9.841 1.431 1.421 481 HD11 LEU 55 HD11 LEU 55 -8.445 4.013 0.764 482 HD12 LEU 55 HD12 LEU 55 -8.364 2.479 -0.126 483 HD13 LEU 55 HD13 LEU 55 -7.671 2.590 1.513 484 HD21 LEU 55 HD21 LEU 55 -10.983 2.822 3.176 485 HD22 LEU 55 HD22 LEU 55 -9.695 4.010 2.937 486 HD23 LEU 55 HD23 LEU 55 -9.291 2.366 3.491 487 H ARG 56 HN ARG 56 -13.684 1.996 1.078 488 HA ARG 56 HA ARG 56 -15.224 3.307 -1.071 489 HB2 ARG 56 HB2 ARG 56 -16.865 1.797 -1.295 490 HB3 ARG 56 HB3 ARG 56 -15.505 0.763 -0.975 491 HG2 ARG 56 HG2 ARG 56 -16.292 0.778 1.476 492 HG3 ARG 56 HG3 ARG 56 -17.802 1.467 0.855 493 HD2 ARG 56 HD2 ARG 56 -16.696 -0.942 -0.571 494 HD3 ARG 56 HD3 ARG 56 -17.304 -1.222 1.059 495 HE ARG 56 HE ARG 56 -19.441 -0.115 0.186 496 HH11 ARG 56 HH11 ARG 56 -17.399 -1.840 -2.225 497 HH12 ARG 56 HH12 ARG 56 -18.644 -2.907 -2.708 498 HH21 ARG 56 HH21 ARG 56 -21.133 -1.161 -0.849 499 HH22 ARG 56 HH22 ARG 56 -20.866 -2.481 -1.953 500 H GLU 57 HN GLU 57 -16.869 4.669 -0.443 501 HA GLU 57 HA GLU 57 -16.901 5.600 2.387 502 HB2 GLU 57 HB2 GLU 57 -15.548 7.205 1.242 503 HB3 GLU 57 HB3 GLU 57 -16.616 7.256 -0.161 504 HG2 GLU 57 HG2 GLU 57 -17.773 8.011 2.529 505 HG3 GLU 57 HG3 GLU 57 -16.627 9.109 1.783 506 H GLY 58 HN GLY 58 -18.859 4.801 2.883 507 HA2 GLY 58 HA1 GLY 58 -21.125 4.473 2.897 508 HA3 GLY 58 HA2 GLY 58 -21.235 5.956 1.933 509 H SER 59 HN SER 59 -21.355 5.788 -0.307 510 HA SER 59 HA SER 59 -22.039 3.131 -1.459 511 HB2 SER 59 HB2 SER 59 -23.962 4.547 -0.818 512 HB3 SER 59 HB3 SER 59 -23.371 5.826 -1.879 513 HG SER 59 HG SER 59 -24.174 3.195 -2.611 514 H LYS 60 HN LYS 60 -19.732 5.581 -1.661 515 HA LYS 60 HA LYS 60 -19.313 5.094 -4.585 516 HB2 LYS 60 HB2 LYS 60 -19.260 7.432 -3.994 517 HB3 LYS 60 HB3 LYS 60 -18.039 7.154 -2.738 518 HG2 LYS 60 HG2 LYS 60 -16.304 6.942 -4.268 519 HG3 LYS 60 HG3 LYS 60 -17.334 6.206 -5.470 520 HD2 LYS 60 HD2 LYS 60 -16.928 8.053 -6.583 521 HD3 LYS 60 HD3 LYS 60 -18.361 8.614 -5.710 522 HE2 LYS 60 HE2 LYS 60 -16.818 9.679 -4.021 523 HE3 LYS 60 HE3 LYS 60 -15.446 9.091 -4.948 524 HZ1 LYS 60 HZ1 LYS 60 -16.254 10.429 -6.831 525 HZ2 LYS 60 HZ2 LYS 60 -15.836 11.308 -5.507 526 HZ3 LYS 60 HZ3 LYS 60 -17.420 11.096 -5.873 527 H GLU 61 HN GLU 61 -17.090 4.450 -5.189 528 HA GLU 61 HA GLU 61 -15.444 3.208 -3.123 529 HB2 GLU 61 HB2 GLU 61 -17.079 1.598 -4.399 530 HB3 GLU 61 HB3 GLU 61 -16.018 1.856 -5.792 531 HG2 GLU 61 HG2 GLU 61 -14.148 0.859 -4.596 532 HG3 GLU 61 HG3 GLU 61 -14.977 1.052 -3.068 533 H PHE 62 HN PHE 62 -13.109 3.370 -3.862 534 HA PHE 62 HA PHE 62 -12.458 4.833 -6.297 535 HB2 PHE 62 HB2 PHE 62 -11.664 6.833 -5.105 536 HB3 PHE 62 HB3 PHE 62 -13.377 6.674 -5.058 537 HD1 PHE 62 HD2 PHE 62 -14.609 6.029 -3.131 538 HD2 PHE 62 HD1 PHE 62 -10.316 6.709 -2.713 539 HE1 PHE 62 HE2 PHE 62 -14.826 6.061 -0.752 540 HE2 PHE 62 HE1 PHE 62 -10.576 6.830 -0.367 541 HZ PHE 62 HZ PHE 62 -12.798 6.398 0.719 542 H GLY 63 HN GLY 63 -10.019 5.639 -6.036 543 HA2 GLY 63 HA1 GLY 63 -8.555 3.276 -4.924 544 HA3 GLY 63 HA2 GLY 63 -8.152 4.150 -6.388 545 H VAL 64 HN VAL 64 -6.830 3.574 -3.688 546 HA VAL 64 HA VAL 64 -5.485 6.264 -3.523 547 HB VAL 64 HB VAL 64 -4.857 5.494 -1.163 548 HG11 VAL 64 HG11 VAL 64 -7.203 5.973 -0.232 549 HG12 VAL 64 HG12 VAL 64 -6.421 7.179 -1.249 550 HG13 VAL 64 HG13 VAL 64 -7.705 6.167 -1.920 551 HG21 VAL 64 HG21 VAL 64 -7.131 3.570 -1.531 552 HG22 VAL 64 HG22 VAL 64 -5.449 3.068 -1.522 553 HG23 VAL 64 HG23 VAL 64 -6.149 3.826 -0.073 554 H PHE 65 HN PHE 65 -3.224 6.315 -2.955 555 HA PHE 65 HA PHE 65 -1.653 3.904 -3.726 556 HB2 PHE 65 HB2 PHE 65 -1.231 6.723 -4.754 557 HB3 PHE 65 HB3 PHE 65 -0.207 5.359 -5.078 558 HD1 PHE 65 HD1 PHE 65 -1.625 3.194 -6.053 559 HD2 PHE 65 HD2 PHE 65 -2.658 7.362 -6.438 560 HE1 PHE 65 HE1 PHE 65 -2.839 2.709 -8.190 561 HE2 PHE 65 HE2 PHE 65 -3.804 6.889 -8.580 562 HZ PHE 65 HZ PHE 65 -3.855 4.572 -9.471 563 H VAL 66 HN VAL 66 -1.260 3.591 -1.485 564 HA VAL 66 HA VAL 66 0.207 5.271 0.238 565 HB VAL 66 HB VAL 66 -0.879 3.291 0.998 566 HG11 VAL 66 HG11 VAL 66 -0.551 2.044 -1.110 567 HG12 VAL 66 HG12 VAL 66 1.029 1.574 -0.475 568 HG13 VAL 66 HG13 VAL 66 -0.502 1.182 0.413 569 HG21 VAL 66 HG21 VAL 66 2.041 2.603 1.353 570 HG22 VAL 66 HG22 VAL 66 1.317 3.994 2.172 571 HG23 VAL 66 HG23 VAL 66 0.687 2.362 2.467 572 H THR 67 HN THR 67 2.430 5.597 0.624 573 HA THR 67 HA THR 67 4.261 4.731 -1.518 574 HB THR 67 HB THR 67 4.033 7.515 -0.336 575 HG1 THR 67 HG1 THR 67 3.009 8.067 -2.137 576 HG21 THR 67 HG21 THR 67 6.311 7.096 -1.066 577 HG22 THR 67 HG22 THR 67 5.520 8.066 -2.323 578 HG23 THR 67 HG23 THR 67 5.760 6.346 -2.570 579 H ILE 68 HN ILE 68 5.516 3.260 -0.436 580 HA ILE 68 HA ILE 68 6.648 3.939 2.224 581 HB ILE 68 HB ILE 68 6.432 1.369 0.629 582 HG12 ILE 68 HG12 ILE 68 4.920 2.253 3.131 583 HG13 ILE 68 HG13 ILE 68 4.257 2.187 1.499 584 HG21 ILE 68 HG21 ILE 68 7.262 0.215 2.697 585 HG22 ILE 68 HG22 ILE 68 8.449 1.395 2.182 586 HG23 ILE 68 HG23 ILE 68 7.372 1.766 3.544 587 HD11 ILE 68 HD11 ILE 68 3.480 0.251 2.608 588 HD12 ILE 68 HD12 ILE 68 4.711 -0.285 1.458 589 HD13 ILE 68 HD13 ILE 68 5.089 -0.183 3.198 590 H SER 69 HN SER 69 8.563 5.042 1.966 591 HA SER 69 HA SER 69 10.534 4.254 -0.121 592 HB2 SER 69 HB2 SER 69 10.221 6.578 1.820 593 HB3 SER 69 HB3 SER 69 11.788 6.137 1.131 594 HG SER 69 HG SER 69 11.083 7.496 -0.257 595 H PHE 70 HN PHE 70 12.209 2.855 0.480 596 HA PHE 70 HA PHE 70 12.851 2.579 3.334 597 HB2 PHE 70 HB2 PHE 70 12.444 0.276 3.456 598 HB3 PHE 70 HB3 PHE 70 10.964 0.964 2.822 599 HD1 PHE 70 HD2 PHE 70 10.568 0.809 0.236 600 HD2 PHE 70 HD1 PHE 70 13.673 -1.350 2.278 601 HE1 PHE 70 HE2 PHE 70 10.837 -0.676 -1.727 602 HE2 PHE 70 HE1 PHE 70 13.850 -2.937 0.365 603 HZ PHE 70 HZ PHE 70 12.433 -2.593 -1.647 604 H ASP 71 HN ASP 71 14.794 1.450 3.679 605 HA ASP 71 HA ASP 71 16.808 2.038 1.686 606 HB2 ASP 71 HB2 ASP 71 16.681 0.988 4.499 607 HB3 ASP 71 HB3 ASP 71 18.057 0.450 3.562 608 HA PRO 72 HA PRO 72 17.154 -2.297 0.244 609 HB2 PRO 72 HB2 PRO 72 19.275 -2.148 -1.339 610 HB3 PRO 72 HB3 PRO 72 17.684 -1.446 -1.775 611 HG2 PRO 72 HG2 PRO 72 20.070 0.047 -0.562 612 HG3 PRO 72 HG3 PRO 72 19.129 0.500 -2.023 613 HD2 PRO 72 HD2 PRO 72 18.602 1.525 0.449 614 HD3 PRO 72 HD3 PRO 72 17.283 1.112 -0.700 615 H TYR 73 HN TYR 73 19.618 -0.387 1.880 616 HA TYR 73 HA TYR 73 21.609 -2.169 2.491 617 HB2 TYR 73 HB2 TYR 73 20.305 0.036 4.114 618 HB3 TYR 73 HB3 TYR 73 21.729 -0.818 4.667 619 HD1 TYR 73 HD2 TYR 73 23.879 -0.578 3.532 620 HD2 TYR 73 HD1 TYR 73 20.458 1.779 2.297 621 HE1 TYR 73 HE2 TYR 73 25.383 1.043 2.428 622 HE2 TYR 73 HE1 TYR 73 21.939 3.333 1.154 623 HH TYR 73 HH TYR 73 24.898 3.861 1.854 624 H SER 74 HN SER 74 18.741 -1.642 4.677 625 HA SER 74 HA SER 74 18.752 -4.491 5.429 626 HB2 SER 74 HB2 SER 74 20.627 -3.181 6.668 627 HB3 SER 74 HB3 SER 74 19.302 -2.421 7.559 628 HG SER 74 HG SER 74 20.013 -4.173 8.675 629 H GLN 75 HN GLN 75 16.845 -2.740 4.216 630 HA GLN 75 HA GLN 75 14.705 -2.010 4.316 631 HB2 GLN 75 HB2 GLN 75 14.942 -4.826 5.242 632 HB3 GLN 75 HB3 GLN 75 13.415 -4.083 5.683 633 HG2 GLN 75 HG2 GLN 75 12.612 -4.161 3.615 634 HG3 GLN 75 HG3 GLN 75 14.030 -3.415 2.919 635 HE21 GLN 75 HE21 GLN 75 15.649 -4.742 2.051 636 HE22 GLN 75 HE22 GLN 75 15.327 -6.296 1.387 637 H LYS 76 HN LYS 76 15.897 -0.306 5.745 638 HA LYS 76 HA LYS 76 14.191 0.143 8.133 639 HB2 LYS 76 HB2 LYS 76 16.528 1.666 6.881 640 HB3 LYS 76 HB3 LYS 76 15.415 2.343 8.090 641 HG2 LYS 76 HG2 LYS 76 16.011 0.060 9.357 642 HG3 LYS 76 HG3 LYS 76 17.508 0.205 8.435 643 HD2 LYS 76 HD2 LYS 76 17.886 2.447 9.411 644 HD3 LYS 76 HD3 LYS 76 16.318 2.385 10.227 645 HE2 LYS 76 HE2 LYS 76 18.685 0.520 10.724 646 HE3 LYS 76 HE3 LYS 76 18.171 1.847 11.766 647 HZ1 LYS 76 HZ1 LYS 76 17.321 -0.167 12.628 648 HZ2 LYS 76 HZ2 LYS 76 16.611 -0.600 11.202 649 HZ3 LYS 76 HZ3 LYS 76 16.035 0.681 12.054 650 H VAL 77 HN VAL 77 12.312 1.142 7.743 651 HA VAL 77 HA VAL 77 11.723 2.201 5.054 652 HB VAL 77 HB VAL 77 9.959 1.093 5.928 653 HG11 VAL 77 HG11 VAL 77 10.195 2.579 8.537 654 HG12 VAL 77 HG12 VAL 77 8.852 1.477 8.078 655 HG13 VAL 77 HG13 VAL 77 10.493 0.851 8.242 656 HG21 VAL 77 HG21 VAL 77 9.346 3.220 4.874 657 HG22 VAL 77 HG22 VAL 77 8.169 2.671 6.058 658 HG23 VAL 77 HG23 VAL 77 9.292 3.991 6.476 659 H ASN 78 HN ASN 78 12.299 4.183 4.516 660 HA ASN 78 HA ASN 78 13.657 5.845 6.528 661 HB2 ASN 78 HB2 ASN 78 13.215 6.212 3.536 662 HB3 ASN 78 HB3 ASN 78 14.102 7.339 4.560 663 HD21 ASN 78 HD21 ASN 78 14.917 5.168 2.383 664 HD22 ASN 78 HD22 ASN 78 16.247 4.314 3.208 665 H LYS 79 HN LYS 79 10.771 6.045 4.348 666 HA LYS 79 HA LYS 79 9.431 7.712 6.313 667 HB2 LYS 79 HB2 LYS 79 10.914 9.060 4.382 668 HB3 LYS 79 HB3 LYS 79 9.343 8.938 3.589 669 HG2 LYS 79 HG2 LYS 79 8.279 9.965 5.570 670 HG3 LYS 79 HG3 LYS 79 9.842 9.991 6.412 671 HD2 LYS 79 HD2 LYS 79 10.755 11.595 4.813 672 HD3 LYS 79 HD3 LYS 79 9.288 11.491 3.824 673 HE2 LYS 79 HE2 LYS 79 7.962 12.314 5.819 674 HE3 LYS 79 HE3 LYS 79 9.501 12.608 6.649 675 HZ1 LYS 79 HZ1 LYS 79 8.687 14.600 5.578 676 HZ2 LYS 79 HZ2 LYS 79 8.667 13.856 4.094 677 HZ3 LYS 79 HZ3 LYS 79 10.089 14.149 4.905 678 H ILE 80 HN ILE 80 7.086 8.049 5.596 679 HA ILE 80 HA ILE 80 6.141 6.168 3.583 680 HB ILE 80 HB ILE 80 4.953 6.273 6.391 681 HG12 ILE 80 HG12 ILE 80 6.366 3.973 4.959 682 HG13 ILE 80 HG13 ILE 80 7.019 4.910 6.306 683 HG21 ILE 80 HG21 ILE 80 3.214 6.043 4.635 684 HG22 ILE 80 HG22 ILE 80 4.095 4.670 3.927 685 HG23 ILE 80 HG23 ILE 80 3.366 4.572 5.544 686 HD11 ILE 80 HD11 ILE 80 5.053 4.160 7.702 687 HD12 ILE 80 HD12 ILE 80 4.686 2.988 6.407 688 HD13 ILE 80 HD13 ILE 80 6.225 2.902 7.269 689 H ALA 81 HN ALA 81 4.416 7.113 2.516 690 HA ALA 81 HA ALA 81 2.969 9.362 3.695 691 HB1 ALA 81 HB1 ALA 81 4.572 10.532 2.270 692 HB2 ALA 81 HB2 ALA 81 4.224 9.451 0.906 693 HB3 ALA 81 HB3 ALA 81 2.989 10.574 1.501 694 H ILE 82 HN ILE 82 0.954 9.695 2.153 695 HA ILE 82 HA ILE 82 -0.083 7.121 1.153 696 HB ILE 82 HB ILE 82 -1.069 8.867 3.412 697 HG12 ILE 82 HG12 ILE 82 0.397 6.854 3.884 698 HG13 ILE 82 HG13 ILE 82 -1.133 6.885 4.699 699 HG21 ILE 82 HG21 ILE 82 -3.033 8.707 2.080 700 HG22 ILE 82 HG22 ILE 82 -2.781 6.974 1.772 701 HG23 ILE 82 HG23 ILE 82 -3.199 7.546 3.398 702 HD11 ILE 82 HD11 ILE 82 -0.992 5.363 2.117 703 HD12 ILE 82 HD12 ILE 82 -0.270 4.680 3.579 704 HD13 ILE 82 HD13 ILE 82 -1.998 5.084 3.559 705 H LEU 83 HN LEU 83 -1.401 7.504 -0.699 706 HA LEU 83 HA LEU 83 -1.971 10.397 -1.338 707 HB2 LEU 83 HB2 LEU 83 -0.027 9.125 -2.497 708 HB3 LEU 83 HB3 LEU 83 -1.287 8.210 -3.286 709 HG LEU 83 HG LEU 83 -0.227 9.848 -4.670 710 HD11 LEU 83 HD11 LEU 83 -2.617 9.121 -5.034 711 HD12 LEU 83 HD12 LEU 83 -2.093 10.610 -5.830 712 HD13 LEU 83 HD13 LEU 83 -3.091 10.721 -4.394 713 HD21 LEU 83 HD21 LEU 83 0.222 11.596 -2.986 714 HD22 LEU 83 HD22 LEU 83 -1.511 12.010 -2.962 715 HD23 LEU 83 HD23 LEU 83 -0.554 12.212 -4.451 716 H GLU 84 HN GLU 84 -3.949 10.739 -2.479 717 HA GLU 84 HA GLU 84 -5.795 8.448 -2.809 718 HB2 GLU 84 HB2 GLU 84 -6.251 9.873 -0.648 719 HB3 GLU 84 HB3 GLU 84 -6.741 11.122 -1.794 720 HG2 GLU 84 HG2 GLU 84 -8.266 9.027 -2.662 721 HG3 GLU 84 HG3 GLU 84 -8.064 8.565 -1.006 722 H GLU 85 HN GLU 85 -6.913 8.533 -4.558 723 HA GLU 85 HA GLU 85 -6.426 10.533 -6.651 724 HB2 GLU 85 HB2 GLU 85 -6.547 8.014 -7.031 725 HB3 GLU 85 HB3 GLU 85 -8.218 8.067 -6.532 726 HG2 GLU 85 HG2 GLU 85 -8.826 8.337 -8.595 727 HG3 GLU 85 HG3 GLU 85 -8.130 9.947 -8.601 728 H TYR 86 HN TYR 86 -8.330 11.770 -7.615 729 HA TYR 86 HA TYR 86 -10.945 11.369 -6.633 730 HB2 TYR 86 HB2 TYR 86 -11.294 13.799 -5.936 731 HB3 TYR 86 HB3 TYR 86 -10.428 12.765 -4.817 732 HD1 TYR 86 HD2 TYR 86 -8.040 12.932 -4.410 733 HD2 TYR 86 HD1 TYR 86 -10.144 15.802 -6.847 734 HE1 TYR 86 HE2 TYR 86 -6.049 14.327 -4.442 735 HE2 TYR 86 HE1 TYR 86 -8.117 17.266 -6.858 736 HH TYR 86 HH TYR 86 -5.230 16.365 -4.951 737 H GLN 87 HN GLN 87 -12.460 12.656 -8.011 738 HA GLN 87 HA GLN 87 -11.697 14.285 -10.073 739 HB2 GLN 87 HB2 GLN 87 -12.219 12.722 -11.991 740 HB3 GLN 87 HB3 GLN 87 -10.617 12.717 -11.302 741 HG2 GLN 87 HG2 GLN 87 -11.137 10.485 -11.708 742 HG3 GLN 87 HG3 GLN 87 -11.184 10.723 -9.963 743 HE21 GLN 87 HE21 GLN 87 -12.757 9.329 -9.180 744 HE22 GLN 87 HE22 GLN 87 -14.359 9.127 -9.859 Start of MODEL 33 1 H1 GLY 1 HN GLY 1 -18.239 -13.366 -3.083 2 HA2 GLY 1 HA1 GLY 1 -17.784 -10.854 -1.572 3 HA3 GLY 1 HA2 GLY 1 -18.286 -12.400 -0.850 4 H GLU 2 HN GLU 2 -15.596 -10.457 -1.832 5 HA GLU 2 HA GLU 2 -13.656 -12.677 -1.435 6 HB2 GLU 2 HB2 GLU 2 -13.768 -10.614 -3.686 7 HB3 GLU 2 HB3 GLU 2 -12.343 -11.575 -3.288 8 HG2 GLU 2 HG2 GLU 2 -13.380 -12.629 -5.123 9 HG3 GLU 2 HG3 GLU 2 -13.614 -13.665 -3.720 10 H GLU 3 HN GLU 3 -11.699 -11.981 -0.448 11 HA GLU 3 HA GLU 3 -11.841 -9.291 0.777 12 HB2 GLU 3 HB2 GLU 3 -11.659 -11.856 1.891 13 HB3 GLU 3 HB3 GLU 3 -10.001 -11.240 1.941 14 HG2 GLU 3 HG2 GLU 3 -11.168 -9.072 2.903 15 HG3 GLU 3 HG3 GLU 3 -12.492 -10.185 3.264 16 H THR 4 HN THR 4 -10.058 -10.912 -1.650 17 HA THR 4 HA THR 4 -8.129 -8.764 -1.676 18 HB THR 4 HB THR 4 -6.408 -10.922 -2.093 19 HG1 THR 4 HG1 THR 4 -8.228 -11.538 -0.065 20 HG21 THR 4 HG21 THR 4 -6.723 -9.383 0.515 21 HG22 THR 4 HG22 THR 4 -5.849 -8.826 -0.925 22 HG23 THR 4 HG23 THR 4 -5.280 -10.253 -0.061 23 HA PRO 5 HA PRO 5 -8.637 -9.729 -6.044 24 HB2 PRO 5 HB2 PRO 5 -6.415 -8.674 -7.172 25 HB3 PRO 5 HB3 PRO 5 -7.682 -7.664 -6.422 26 HG2 PRO 5 HG2 PRO 5 -5.056 -8.558 -5.199 27 HG3 PRO 5 HG3 PRO 5 -5.781 -6.917 -5.220 28 HD2 PRO 5 HD2 PRO 5 -6.027 -8.618 -3.102 29 HD3 PRO 5 HD3 PRO 5 -7.309 -7.448 -3.545 30 H LEU 6 HN LEU 6 -6.050 -11.008 -4.159 31 HA LEU 6 HA LEU 6 -5.911 -13.387 -5.856 32 HB2 LEU 6 HB2 LEU 6 -3.627 -13.762 -5.016 33 HB3 LEU 6 HB3 LEU 6 -3.764 -12.554 -6.266 34 HG LEU 6 HG LEU 6 -3.899 -11.260 -3.622 35 HD11 LEU 6 HD11 LEU 6 -1.389 -12.917 -4.098 36 HD12 LEU 6 HD12 LEU 6 -2.618 -13.247 -2.859 37 HD13 LEU 6 HD13 LEU 6 -1.677 -11.756 -2.783 38 HD21 LEU 6 HD21 LEU 6 -1.815 -11.156 -5.812 39 HD22 LEU 6 HD22 LEU 6 -2.049 -9.962 -4.505 40 HD23 LEU 6 HD23 LEU 6 -3.297 -10.165 -5.748 41 H VAL 7 HN VAL 7 -7.541 -14.253 -4.580 42 HA VAL 7 HA VAL 7 -7.320 -14.375 -1.679 43 HB VAL 7 HB VAL 7 -8.862 -16.123 -3.621 44 HG11 VAL 7 HG11 VAL 7 -10.308 -16.624 -1.662 45 HG12 VAL 7 HG12 VAL 7 -8.650 -17.194 -1.421 46 HG13 VAL 7 HG13 VAL 7 -9.192 -15.706 -0.623 47 HG21 VAL 7 HG21 VAL 7 -10.807 -14.619 -2.887 48 HG22 VAL 7 HG22 VAL 7 -9.597 -13.539 -2.176 49 HG23 VAL 7 HG23 VAL 7 -9.616 -13.841 -3.924 50 H THR 8 HN THR 8 -6.053 -16.173 -4.494 51 HA THR 8 HA THR 8 -4.921 -18.326 -2.915 52 HB THR 8 HB THR 8 -4.444 -17.338 -5.755 53 HG1 THR 8 HG1 THR 8 -6.469 -18.326 -5.426 54 HG21 THR 8 HG21 THR 8 -2.403 -18.507 -4.928 55 HG22 THR 8 HG22 THR 8 -3.283 -19.480 -6.117 56 HG23 THR 8 HG23 THR 8 -3.404 -19.863 -4.381 57 H ALA 9 HN ALA 9 -3.924 -17.190 -1.194 58 HA ALA 9 HA ALA 9 -1.222 -17.569 -1.522 59 HB1 ALA 9 HB1 ALA 9 -0.319 -15.371 -0.755 60 HB2 ALA 9 HB2 ALA 9 -1.035 -15.271 -2.364 61 HB3 ALA 9 HB3 ALA 9 -1.932 -14.651 -0.953 62 H ARG 10 HN ARG 10 -0.178 -17.198 0.720 63 HA ARG 10 HA ARG 10 -2.120 -17.004 2.955 64 HB2 ARG 10 HB2 ARG 10 -1.628 -19.475 2.060 65 HB3 ARG 10 HB3 ARG 10 -0.144 -19.291 2.998 66 HG2 ARG 10 HG2 ARG 10 -1.640 -18.704 5.011 67 HG3 ARG 10 HG3 ARG 10 -3.030 -19.079 3.972 68 HD2 ARG 10 HD2 ARG 10 -1.902 -21.337 3.524 69 HD3 ARG 10 HD3 ARG 10 -0.790 -20.961 4.841 70 HE ARG 10 HE ARG 10 -3.648 -21.640 4.946 71 HH11 ARG 10 HH11 ARG 10 -0.914 -20.523 6.900 72 HH12 ARG 10 HH12 ARG 10 -1.477 -21.231 8.371 73 HH21 ARG 10 HH21 ARG 10 -4.388 -22.584 6.716 74 HH22 ARG 10 HH22 ARG 10 -3.735 -22.332 8.311 75 H HIS 11 HN HIS 11 0.111 -15.312 1.873 76 HA HIS 11 HA HIS 11 1.707 -15.065 4.268 77 HB2 HIS 11 HB2 HIS 11 3.848 -14.886 3.117 78 HB3 HIS 11 HB3 HIS 11 3.158 -16.496 3.018 79 HD1 HIS 11 HD1 HIS 11 5.106 -16.474 0.943 80 HD2 HIS 11 HD2 HIS 11 1.458 -14.472 0.472 81 HE1 HIS 11 HE1 HIS 11 4.722 -16.271 -1.601 82 H MET 12 HN MET 12 2.938 -13.033 4.281 83 HA MET 12 HA MET 12 1.874 -10.944 2.470 84 HB2 MET 12 HB2 MET 12 2.195 -10.682 5.497 85 HB3 MET 12 HB3 MET 12 1.796 -9.388 4.381 86 HG2 MET 12 HG2 MET 12 -0.247 -10.829 3.706 87 HG3 MET 12 HG3 MET 12 0.110 -11.766 5.155 88 HE1 MET 12 HE1 MET 12 -2.339 -9.368 3.977 89 HE2 MET 12 HE2 MET 12 -2.042 -7.809 4.790 90 HE3 MET 12 HE3 MET 12 -0.882 -8.436 3.593 91 H SER 13 HN SER 13 3.318 -9.455 1.907 92 HA SER 13 HA SER 13 6.133 -9.773 2.040 93 HB2 SER 13 HB2 SER 13 4.274 -8.291 0.591 94 HB3 SER 13 HB3 SER 13 4.992 -7.047 1.616 95 HG SER 13 HG SER 13 5.990 -8.450 -0.484 96 H LYS 14 HN LYS 14 7.620 -8.051 2.952 97 HA LYS 14 HA LYS 14 7.285 -7.489 5.691 98 HB2 LYS 14 HB2 LYS 14 9.464 -7.320 4.362 99 HB3 LYS 14 HB3 LYS 14 8.860 -5.828 3.655 100 HG2 LYS 14 HG2 LYS 14 10.289 -5.173 5.428 101 HG3 LYS 14 HG3 LYS 14 8.656 -4.926 6.037 102 HD2 LYS 14 HD2 LYS 14 8.852 -7.251 7.140 103 HD3 LYS 14 HD3 LYS 14 10.557 -7.228 6.642 104 HE2 LYS 14 HE2 LYS 14 10.809 -5.061 7.921 105 HE3 LYS 14 HE3 LYS 14 9.149 -5.242 8.477 106 HZ1 LYS 14 HZ1 LYS 14 10.931 -6.133 9.994 107 HZ2 LYS 14 HZ2 LYS 14 11.141 -7.352 8.933 108 HZ3 LYS 14 HZ3 LYS 14 9.674 -7.154 9.656 109 H TRP 15 HN TRP 15 6.617 -5.385 2.882 110 HA TRP 15 HA TRP 15 5.755 -3.255 4.648 111 HB2 TRP 15 HB2 TRP 15 5.957 -3.403 1.626 112 HB3 TRP 15 HB3 TRP 15 5.761 -1.940 2.589 113 HD1 TRP 15 HD1 TRP 15 8.438 -4.224 1.265 114 HE1 TRP 15 HE1 TRP 15 10.730 -3.551 2.129 115 HE3 TRP 15 HE3 TRP 15 6.998 -0.831 4.877 116 HZ2 TRP 15 HZ2 TRP 15 11.797 -1.904 4.271 117 HZ3 TRP 15 HZ3 TRP 15 8.682 0.097 6.405 118 HH2 TRP 15 HH2 TRP 15 11.083 -0.483 6.151 119 H GLU 16 HN GLU 16 3.989 -5.839 3.506 120 HA GLU 16 HA GLU 16 1.582 -4.764 2.479 121 HB2 GLU 16 HB2 GLU 16 2.319 -7.206 4.107 122 HB3 GLU 16 HB3 GLU 16 0.636 -6.877 3.765 123 HG2 GLU 16 HG2 GLU 16 2.709 -7.099 1.583 124 HG3 GLU 16 HG3 GLU 16 1.846 -8.490 2.228 125 H GLU 17 HN GLU 17 2.173 -5.773 5.921 126 HA GLU 17 HA GLU 17 -0.230 -4.563 6.766 127 HB2 GLU 17 HB2 GLU 17 2.247 -5.362 8.331 128 HB3 GLU 17 HB3 GLU 17 0.837 -4.618 9.092 129 HG2 GLU 17 HG2 GLU 17 -0.519 -6.501 7.796 130 HG3 GLU 17 HG3 GLU 17 1.043 -7.334 7.810 131 H ILE 18 HN ILE 18 2.886 -3.003 6.284 132 HA ILE 18 HA ILE 18 2.236 -0.666 7.921 133 HB ILE 18 HB ILE 18 4.349 -1.150 5.778 134 HG12 ILE 18 HG12 ILE 18 4.588 -0.867 8.813 135 HG13 ILE 18 HG13 ILE 18 4.494 -2.431 8.007 136 HG21 ILE 18 HG21 ILE 18 3.802 1.270 5.936 137 HG22 ILE 18 HG22 ILE 18 4.067 1.233 7.684 138 HG23 ILE 18 HG23 ILE 18 5.402 0.964 6.537 139 HD11 ILE 18 HD11 ILE 18 6.557 -2.067 6.841 140 HD12 ILE 18 HD12 ILE 18 6.708 -0.410 7.500 141 HD13 ILE 18 HD13 ILE 18 6.810 -1.779 8.574 142 H ALA 19 HN ALA 19 2.063 -1.508 4.405 143 HA ALA 19 HA ALA 19 0.915 0.973 3.634 144 HB1 ALA 19 HB1 ALA 19 0.508 -1.741 2.334 145 HB2 ALA 19 HB2 ALA 19 0.259 -0.126 1.619 146 HB3 ALA 19 HB3 ALA 19 1.891 -0.652 2.067 147 H VAL 20 HN VAL 20 -0.636 -2.150 4.538 148 HA VAL 20 HA VAL 20 -3.309 -1.327 4.261 149 HB VAL 20 HB VAL 20 -2.002 -3.384 6.075 150 HG11 VAL 20 HG11 VAL 20 -4.153 -2.895 7.098 151 HG12 VAL 20 HG12 VAL 20 -4.971 -2.979 5.521 152 HG13 VAL 20 HG13 VAL 20 -4.264 -4.437 6.251 153 HG21 VAL 20 HG21 VAL 20 -1.882 -3.750 3.547 154 HG22 VAL 20 HG22 VAL 20 -2.721 -5.017 4.448 155 HG23 VAL 20 HG23 VAL 20 -3.652 -3.806 3.548 156 H LYS 21 HN LYS 21 -1.238 -1.216 7.256 157 HA LYS 21 HA LYS 21 -3.258 -0.102 8.893 158 HB2 LYS 21 HB2 LYS 21 -0.225 -0.062 9.046 159 HB3 LYS 21 HB3 LYS 21 -1.236 0.739 10.260 160 HG2 LYS 21 HG2 LYS 21 -2.402 -1.297 10.792 161 HG3 LYS 21 HG3 LYS 21 -1.618 -2.197 9.504 162 HD2 LYS 21 HD2 LYS 21 0.498 -2.164 10.572 163 HD3 LYS 21 HD3 LYS 21 0.021 -0.914 11.723 164 HE2 LYS 21 HE2 LYS 21 -1.244 -3.693 11.625 165 HE3 LYS 21 HE3 LYS 21 0.132 -3.270 12.657 166 HZ1 LYS 21 HZ1 LYS 21 -1.903 -3.072 13.889 167 HZ2 LYS 21 HZ2 LYS 21 -2.547 -2.008 12.803 168 HZ3 LYS 21 HZ3 LYS 21 -1.259 -1.557 13.672 169 H GLU 22 HN GLU 22 -0.748 1.634 6.911 170 HA GLU 22 HA GLU 22 -1.664 4.206 7.755 171 HB2 GLU 22 HB2 GLU 22 -0.289 3.363 5.192 172 HB3 GLU 22 HB3 GLU 22 -0.599 5.032 5.694 173 HG2 GLU 22 HG2 GLU 22 1.114 3.064 7.223 174 HG3 GLU 22 HG3 GLU 22 1.703 4.336 6.170 175 H ALA 23 HN ALA 23 -2.500 2.260 4.845 176 HA ALA 23 HA ALA 23 -4.309 4.132 3.745 177 HB1 ALA 23 HB1 ALA 23 -3.867 1.212 3.227 178 HB2 ALA 23 HB2 ALA 23 -4.946 2.265 2.268 179 HB3 ALA 23 HB3 ALA 23 -3.201 2.603 2.365 180 H LYS 24 HN LYS 24 -4.819 2.253 6.528 181 HA LYS 24 HA LYS 24 -7.820 2.418 6.168 182 HB2 LYS 24 HB2 LYS 24 -8.249 0.693 7.487 183 HB3 LYS 24 HB3 LYS 24 -6.896 0.136 6.510 184 HG2 LYS 24 HG2 LYS 24 -5.400 0.783 8.492 185 HG3 LYS 24 HG3 LYS 24 -6.905 1.026 9.379 186 HD2 LYS 24 HD2 LYS 24 -5.952 -1.540 8.030 187 HD3 LYS 24 HD3 LYS 24 -5.831 -1.244 9.766 188 HE2 LYS 24 HE2 LYS 24 -8.425 -1.436 8.162 189 HE3 LYS 24 HE3 LYS 24 -7.705 -2.773 9.038 190 HZ1 LYS 24 HZ1 LYS 24 -9.534 -1.209 10.046 191 HZ2 LYS 24 HZ2 LYS 24 -8.250 -0.388 10.618 192 HZ3 LYS 24 HZ3 LYS 24 -8.443 -2.002 10.981 193 H LYS 25 HN LYS 25 -5.024 3.178 8.310 194 HA LYS 25 HA LYS 25 -6.677 4.260 10.382 195 HB2 LYS 25 HB2 LYS 25 -4.736 4.950 11.465 196 HB3 LYS 25 HB3 LYS 25 -4.297 3.481 10.623 197 HG2 LYS 25 HG2 LYS 25 -3.350 5.051 8.803 198 HG3 LYS 25 HG3 LYS 25 -3.544 6.358 9.964 199 HD2 LYS 25 HD2 LYS 25 -1.868 3.841 10.406 200 HD3 LYS 25 HD3 LYS 25 -1.256 5.413 9.865 201 HE2 LYS 25 HE2 LYS 25 -2.105 6.465 11.945 202 HE3 LYS 25 HE3 LYS 25 -2.604 4.871 12.535 203 HZ1 LYS 25 HZ1 LYS 25 0.171 5.645 11.836 204 HZ2 LYS 25 HZ2 LYS 25 -0.275 4.195 12.473 205 HZ3 LYS 25 HZ3 LYS 25 -0.430 5.559 13.365 206 H ARG 26 HN ARG 26 -5.059 5.791 7.609 207 HA ARG 26 HA ARG 26 -5.825 8.459 8.358 208 HB2 ARG 26 HB2 ARG 26 -3.870 7.833 6.988 209 HB3 ARG 26 HB3 ARG 26 -4.917 7.396 5.646 210 HG2 ARG 26 HG2 ARG 26 -5.392 9.608 5.128 211 HG3 ARG 26 HG3 ARG 26 -5.209 10.157 6.804 212 HD2 ARG 26 HD2 ARG 26 -2.831 10.115 6.695 213 HD3 ARG 26 HD3 ARG 26 -2.836 9.238 5.161 214 HE ARG 26 HE ARG 26 -4.263 11.664 4.833 215 HH11 ARG 26 HH11 ARG 26 -0.868 10.660 5.429 216 HH12 ARG 26 HH12 ARG 26 -0.213 12.015 4.545 217 HH21 ARG 26 HH21 ARG 26 -3.346 13.390 3.687 218 HH22 ARG 26 HH22 ARG 26 -1.630 13.646 3.654 219 H TYR 27 HN TYR 27 -8.050 6.185 7.656 220 HA TYR 27 HA TYR 27 -9.682 7.894 5.854 221 HB2 TYR 27 HB2 TYR 27 -8.998 4.968 5.385 222 HB3 TYR 27 HB3 TYR 27 -10.239 5.898 4.549 223 HD1 TYR 27 HD2 TYR 27 -9.638 7.900 3.202 224 HD2 TYR 27 HD1 TYR 27 -6.679 5.230 4.781 225 HE1 TYR 27 HE2 TYR 27 -7.960 8.947 1.735 226 HE2 TYR 27 HE1 TYR 27 -5.038 6.079 3.115 227 HH TYR 27 HH TYR 27 -5.554 8.849 1.038 228 HA PRO 28 HA PRO 28 -11.905 6.358 9.591 229 HB2 PRO 28 HB2 PRO 28 -12.849 8.782 10.468 230 HB3 PRO 28 HB3 PRO 28 -11.188 8.194 10.792 231 HG2 PRO 28 HG2 PRO 28 -12.110 10.174 8.698 232 HG3 PRO 28 HG3 PRO 28 -10.628 10.209 9.709 233 HD2 PRO 28 HD2 PRO 28 -10.649 9.365 7.137 234 HD3 PRO 28 HD3 PRO 28 -9.487 8.836 8.392 235 H LEU 29 HN LEU 29 -12.880 8.322 6.831 236 HA LEU 29 HA LEU 29 -15.738 7.884 7.287 237 HB2 LEU 29 HB2 LEU 29 -14.136 9.264 5.123 238 HB3 LEU 29 HB3 LEU 29 -15.828 8.846 4.890 239 HG LEU 29 HG LEU 29 -16.473 10.100 6.923 240 HD11 LEU 29 HD11 LEU 29 -14.460 10.139 8.239 241 HD12 LEU 29 HD12 LEU 29 -14.896 11.784 7.841 242 HD13 LEU 29 HD13 LEU 29 -13.569 11.005 6.949 243 HD21 LEU 29 HD21 LEU 29 -16.260 12.327 5.923 244 HD22 LEU 29 HD22 LEU 29 -16.632 11.122 4.691 245 HD23 LEU 29 HD23 LEU 29 -14.977 11.736 4.841 246 H ALA 30 HN ALA 30 -13.183 5.914 6.139 247 HA ALA 30 HA ALA 30 -14.988 4.373 4.373 248 HB1 ALA 30 HB1 ALA 30 -13.567 6.039 3.094 249 HB2 ALA 30 HB2 ALA 30 -12.132 5.202 3.689 250 HB3 ALA 30 HB3 ALA 30 -13.303 4.344 2.659 251 H GLN 31 HN GLN 31 -13.628 2.339 3.651 252 HA GLN 31 HA GLN 31 -12.091 1.165 5.931 253 HB2 GLN 31 HB2 GLN 31 -14.187 -0.455 4.505 254 HB3 GLN 31 HB3 GLN 31 -13.414 -0.794 6.029 255 HG2 GLN 31 HG2 GLN 31 -14.911 0.475 7.264 256 HG3 GLN 31 HG3 GLN 31 -15.232 1.614 5.965 257 HE21 GLN 31 HE21 GLN 31 -15.977 0.161 3.840 258 HE22 GLN 31 HE22 GLN 31 -17.565 -0.557 4.227 259 H VAL 32 HN VAL 32 -10.577 -0.406 5.146 260 HA VAL 32 HA VAL 32 -10.281 -0.505 2.215 261 HB VAL 32 HB VAL 32 -8.361 0.038 3.659 262 HG11 VAL 32 HG11 VAL 32 -8.832 -1.412 5.608 263 HG12 VAL 32 HG12 VAL 32 -8.566 -2.848 4.610 264 HG13 VAL 32 HG13 VAL 32 -7.236 -1.795 4.959 265 HG21 VAL 32 HG21 VAL 32 -6.781 -1.319 2.419 266 HG22 VAL 32 HG22 VAL 32 -7.982 -2.553 2.097 267 HG23 VAL 32 HG23 VAL 32 -8.143 -0.925 1.375 268 H LEU 33 HN LEU 33 -10.361 -2.396 0.997 269 HA LEU 33 HA LEU 33 -11.195 -4.955 2.265 270 HB2 LEU 33 HB2 LEU 33 -12.909 -5.037 0.303 271 HB3 LEU 33 HB3 LEU 33 -13.306 -4.215 1.782 272 HG LEU 33 HG LEU 33 -12.064 -2.526 -0.362 273 HD11 LEU 33 HD11 LEU 33 -14.784 -2.348 -1.032 274 HD12 LEU 33 HD12 LEU 33 -14.429 -4.107 -1.026 275 HD13 LEU 33 HD13 LEU 33 -13.461 -3.008 -1.982 276 HD21 LEU 33 HD21 LEU 33 -14.540 -1.998 1.340 277 HD22 LEU 33 HD22 LEU 33 -13.431 -0.851 0.549 278 HD23 LEU 33 HD23 LEU 33 -12.931 -1.758 1.965 279 H PHE 34 HN PHE 34 -8.737 -3.774 0.600 280 HA PHE 34 HA PHE 34 -8.554 -5.923 -1.431 281 HB2 PHE 34 HB2 PHE 34 -9.539 -3.358 -1.967 282 HB3 PHE 34 HB3 PHE 34 -7.853 -3.162 -2.328 283 HD1 PHE 34 HD2 PHE 34 -11.025 -4.739 -3.295 284 HD2 PHE 34 HD1 PHE 34 -6.867 -4.242 -4.330 285 HE1 PHE 34 HE2 PHE 34 -11.469 -5.619 -5.569 286 HE2 PHE 34 HE1 PHE 34 -7.327 -5.067 -6.603 287 HZ PHE 34 HZ PHE 34 -9.616 -5.765 -7.229 288 H LYS 35 HN LYS 35 -6.281 -6.450 -1.752 289 HA LYS 35 HA LYS 35 -4.244 -4.673 -0.553 290 HB2 LYS 35 HB2 LYS 35 -4.175 -7.647 0.078 291 HB3 LYS 35 HB3 LYS 35 -3.211 -6.355 0.773 292 HG2 LYS 35 HG2 LYS 35 -5.216 -5.469 1.944 293 HG3 LYS 35 HG3 LYS 35 -6.218 -6.718 1.177 294 HD2 LYS 35 HD2 LYS 35 -4.964 -8.486 2.335 295 HD3 LYS 35 HD3 LYS 35 -4.049 -7.242 3.227 296 HE2 LYS 35 HE2 LYS 35 -6.045 -6.409 4.298 297 HE3 LYS 35 HE3 LYS 35 -7.088 -7.215 3.134 298 HZ1 LYS 35 HZ1 LYS 35 -5.580 -8.605 5.278 299 HZ2 LYS 35 HZ2 LYS 35 -6.488 -9.342 4.115 300 HZ3 LYS 35 HZ3 LYS 35 -7.169 -8.348 5.207 301 H GLN 36 HN GLN 36 -3.090 -4.233 -2.441 302 HA GLN 36 HA GLN 36 -2.464 -6.412 -4.357 303 HB2 GLN 36 HB2 GLN 36 -4.661 -5.064 -4.641 304 HB3 GLN 36 HB3 GLN 36 -3.665 -3.725 -5.166 305 HG2 GLN 36 HG2 GLN 36 -3.524 -6.487 -6.433 306 HG3 GLN 36 HG3 GLN 36 -4.815 -5.363 -6.842 307 HE21 GLN 36 HE21 GLN 36 -3.008 -6.448 -8.700 308 HE22 GLN 36 HE22 GLN 36 -2.059 -5.106 -9.367 309 H LYS 37 HN LYS 37 -0.515 -6.311 -5.149 310 HA LYS 37 HA LYS 37 1.499 -4.423 -4.385 311 HB2 LYS 37 HB2 LYS 37 2.947 -5.878 -5.827 312 HB3 LYS 37 HB3 LYS 37 2.043 -6.784 -4.629 313 HG2 LYS 37 HG2 LYS 37 0.687 -6.509 -7.289 314 HG3 LYS 37 HG3 LYS 37 2.205 -7.388 -7.324 315 HD2 LYS 37 HD2 LYS 37 1.410 -9.107 -5.918 316 HD3 LYS 37 HD3 LYS 37 0.093 -8.126 -5.286 317 HE2 LYS 37 HE2 LYS 37 -0.779 -9.824 -6.791 318 HE3 LYS 37 HE3 LYS 37 -1.101 -8.207 -7.421 319 HZ1 LYS 37 HZ1 LYS 37 0.569 -8.503 -9.045 320 HZ2 LYS 37 HZ2 LYS 37 -0.337 -9.855 -9.070 321 HZ3 LYS 37 HZ3 LYS 37 1.125 -9.908 -8.393 322 H VAL 38 HN VAL 38 3.034 -3.448 -5.938 323 HA VAL 38 HA VAL 38 1.957 -2.814 -8.616 324 HB VAL 38 HB VAL 38 2.416 -0.546 -8.594 325 HG11 VAL 38 HG11 VAL 38 0.993 0.410 -6.890 326 HG12 VAL 38 HG12 VAL 38 0.314 -1.140 -7.429 327 HG13 VAL 38 HG13 VAL 38 1.161 -1.030 -5.875 328 HG21 VAL 38 HG21 VAL 38 3.337 0.638 -6.498 329 HG22 VAL 38 HG22 VAL 38 4.015 -0.958 -6.075 330 HG23 VAL 38 HG23 VAL 38 4.463 -0.142 -7.569 331 H TRP 39 HN TRP 39 4.184 -1.279 -9.474 332 HA TRP 39 HA TRP 39 6.329 -3.048 -10.120 333 HB2 TRP 39 HB2 TRP 39 5.656 -1.019 -11.366 334 HB3 TRP 39 HB3 TRP 39 5.945 -0.043 -9.957 335 HD1 TRP 39 HD1 TRP 39 7.954 -2.088 -12.543 336 HE1 TRP 39 HE1 TRP 39 10.192 -0.900 -12.909 337 HE3 TRP 39 HE3 TRP 39 7.661 1.366 -8.780 338 HZ2 TRP 39 HZ2 TRP 39 11.491 1.546 -11.935 339 HZ3 TRP 39 HZ3 TRP 39 9.420 3.104 -8.542 340 HH2 TRP 39 HH2 TRP 39 11.311 3.220 -10.140 341 H ASP 40 HN ASP 40 7.610 -3.968 -8.463 342 HA ASP 40 HA ASP 40 8.417 -2.215 -6.211 343 HB2 ASP 40 HB2 ASP 40 9.105 -5.150 -6.677 344 HB3 ASP 40 HB3 ASP 40 9.486 -4.187 -5.283 345 H ARG 41 HN ARG 41 10.443 -1.162 -6.361 346 HA ARG 41 HA ARG 41 12.533 -2.423 -8.030 347 HB2 ARG 41 HB2 ARG 41 10.861 -0.596 -9.182 348 HB3 ARG 41 HB3 ARG 41 12.096 0.498 -8.596 349 HG2 ARG 41 HG2 ARG 41 12.870 -2.010 -10.127 350 HG3 ARG 41 HG3 ARG 41 12.153 -0.671 -10.998 351 HD2 ARG 41 HD2 ARG 41 13.975 0.640 -10.907 352 HD3 ARG 41 HD3 ARG 41 14.350 0.191 -9.257 353 HE ARG 41 HE ARG 41 15.870 -1.370 -10.007 354 HH11 ARG 41 HH11 ARG 41 13.819 -0.572 -12.830 355 HH12 ARG 41 HH12 ARG 41 14.581 -1.711 -13.847 356 HH21 ARG 41 HH21 ARG 41 16.972 -2.698 -11.391 357 HH22 ARG 41 HH22 ARG 41 16.386 -2.987 -13.025 358 H LYS 42 HN LYS 42 14.680 -1.068 -7.877 359 HA LYS 42 HA LYS 42 14.833 0.468 -5.434 360 HB2 LYS 42 HB2 LYS 42 16.744 -0.795 -4.519 361 HB3 LYS 42 HB3 LYS 42 15.242 -1.677 -4.477 362 HG2 LYS 42 HG2 LYS 42 17.225 -2.098 -6.727 363 HG3 LYS 42 HG3 LYS 42 17.490 -2.834 -5.161 364 HD2 LYS 42 HD2 LYS 42 15.029 -3.372 -6.883 365 HD3 LYS 42 HD3 LYS 42 16.474 -4.379 -6.766 366 HE2 LYS 42 HE2 LYS 42 16.106 -4.527 -4.272 367 HE3 LYS 42 HE3 LYS 42 14.541 -3.735 -4.493 368 HZ1 LYS 42 HZ1 LYS 42 15.339 -6.281 -5.768 369 HZ2 LYS 42 HZ2 LYS 42 13.830 -5.601 -5.819 370 HZ3 LYS 42 HZ3 LYS 42 14.461 -6.167 -4.405 371 H ARG 43 HN ARG 43 17.237 1.134 -5.064 372 HA ARG 43 HA ARG 43 18.387 2.374 -7.492 373 HB2 ARG 43 HB2 ARG 43 17.197 3.808 -5.060 374 HB3 ARG 43 HB3 ARG 43 18.305 4.546 -6.199 375 HG2 ARG 43 HG2 ARG 43 16.347 3.559 -7.905 376 HG3 ARG 43 HG3 ARG 43 15.418 4.067 -6.473 377 HD2 ARG 43 HD2 ARG 43 16.789 6.242 -6.574 378 HD3 ARG 43 HD3 ARG 43 17.410 5.666 -8.119 379 HE ARG 43 HE ARG 43 15.193 5.775 -9.066 380 HH11 ARG 43 HH11 ARG 43 15.456 7.422 -5.865 381 HH12 ARG 43 HH12 ARG 43 14.290 8.613 -6.266 382 HH21 ARG 43 HH21 ARG 43 13.617 7.306 -9.507 383 HH22 ARG 43 HH22 ARG 43 13.146 8.512 -8.341 384 H LYS 44 HN LYS 44 20.160 3.965 -6.340 385 HA LYS 44 HA LYS 44 22.310 2.389 -5.696 386 HB2 LYS 44 HB2 LYS 44 21.790 5.298 -4.994 387 HB3 LYS 44 HB3 LYS 44 23.384 4.532 -4.979 388 HG2 LYS 44 HG2 LYS 44 23.151 4.072 -7.432 389 HG3 LYS 44 HG3 LYS 44 21.564 4.844 -7.407 390 HD2 LYS 44 HD2 LYS 44 22.820 6.599 -8.171 391 HD3 LYS 44 HD3 LYS 44 22.863 6.911 -6.431 392 HE2 LYS 44 HE2 LYS 44 25.067 5.512 -6.459 393 HE3 LYS 44 HE3 LYS 44 25.010 5.685 -8.215 394 HZ1 LYS 44 HZ1 LYS 44 25.281 7.818 -6.199 395 HZ2 LYS 44 HZ2 LYS 44 24.944 8.161 -7.778 396 HZ3 LYS 44 HZ3 LYS 44 26.341 7.396 -7.384 397 H ASP 45 HN ASP 45 20.220 4.081 -3.268 398 HA ASP 45 HA ASP 45 21.216 2.174 -1.229 399 HB2 ASP 45 HB2 ASP 45 20.933 5.172 -0.959 400 HB3 ASP 45 HB3 ASP 45 21.148 4.091 0.398 401 H GLU 46 HN GLU 46 18.532 2.611 -2.906 402 HA GLU 46 HA GLU 46 16.714 2.908 -0.610 403 HB2 GLU 46 HB2 GLU 46 17.462 5.209 -1.721 404 HB3 GLU 46 HB3 GLU 46 16.226 4.758 -2.915 405 HG2 GLU 46 HG2 GLU 46 14.519 4.711 -1.191 406 HG3 GLU 46 HG3 GLU 46 15.742 4.879 0.090 407 H ALA 47 HN ALA 47 14.413 2.593 -1.322 408 HA ALA 47 HA ALA 47 13.982 1.140 -3.809 409 HB1 ALA 47 HB1 ALA 47 13.802 -0.146 -1.046 410 HB2 ALA 47 HB2 ALA 47 13.246 -0.897 -2.564 411 HB3 ALA 47 HB3 ALA 47 14.970 -0.566 -2.314 412 H VAL 48 HN VAL 48 11.763 0.589 -4.118 413 HA VAL 48 HA VAL 48 9.777 1.883 -2.393 414 HB VAL 48 HB VAL 48 8.807 3.093 -4.269 415 HG11 VAL 48 HG11 VAL 48 10.324 4.914 -4.533 416 HG12 VAL 48 HG12 VAL 48 10.653 4.228 -2.940 417 HG13 VAL 48 HG13 VAL 48 11.748 3.882 -4.287 418 HG21 VAL 48 HG21 VAL 48 10.044 3.376 -6.437 419 HG22 VAL 48 HG22 VAL 48 11.090 2.005 -5.968 420 HG23 VAL 48 HG23 VAL 48 9.350 1.775 -6.205 421 H LYS 49 HN LYS 49 7.711 0.964 -2.635 422 HA LYS 49 HA LYS 49 6.940 -0.635 -4.833 423 HB2 LYS 49 HB2 LYS 49 6.693 -2.805 -3.663 424 HB3 LYS 49 HB3 LYS 49 8.332 -2.417 -4.109 425 HG2 LYS 49 HG2 LYS 49 9.046 -2.001 -1.957 426 HG3 LYS 49 HG3 LYS 49 7.423 -1.885 -1.279 427 HD2 LYS 49 HD2 LYS 49 8.368 -4.420 -2.565 428 HD3 LYS 49 HD3 LYS 49 8.896 -3.999 -0.950 429 HE2 LYS 49 HE2 LYS 49 6.830 -5.514 -1.083 430 HE3 LYS 49 HE3 LYS 49 6.773 -4.105 -0.021 431 HZ1 LYS 49 HZ1 LYS 49 4.740 -4.297 -1.237 432 HZ2 LYS 49 HZ2 LYS 49 5.472 -4.260 -2.697 433 HZ3 LYS 49 HZ3 LYS 49 5.486 -2.939 -1.731 434 H GLN 50 HN GLN 50 5.453 1.120 -4.394 435 HA GLN 50 HA GLN 50 3.808 1.258 -2.088 436 HB2 GLN 50 HB2 GLN 50 2.910 2.002 -4.909 437 HB3 GLN 50 HB3 GLN 50 2.316 2.623 -3.400 438 HG2 GLN 50 HG2 GLN 50 3.700 4.358 -3.980 439 HG3 GLN 50 HG3 GLN 50 4.850 3.380 -3.039 440 HE21 GLN 50 HE21 GLN 50 3.743 4.179 -6.400 441 HE22 GLN 50 HE22 GLN 50 5.277 3.772 -7.152 442 H TYR 51 HN TYR 51 1.343 0.969 -2.311 443 HA TYR 51 HA TYR 51 0.596 -1.583 -3.632 444 HB2 TYR 51 HB2 TYR 51 -0.104 -0.513 -0.873 445 HB3 TYR 51 HB3 TYR 51 -0.986 -1.825 -1.667 446 HD1 TYR 51 HD2 TYR 51 2.276 -0.846 -0.184 447 HD2 TYR 51 HD1 TYR 51 -0.014 -4.051 -1.926 448 HE1 TYR 51 HE2 TYR 51 3.908 -2.451 0.678 449 HE2 TYR 51 HE1 TYR 51 1.634 -5.671 -1.147 450 HH TYR 51 HH TYR 51 3.427 -5.996 0.158 451 H HIS 52 HN HIS 52 -1.532 -1.545 -4.423 452 HA HIS 52 HA HIS 52 -2.781 1.155 -4.707 453 HB2 HIS 52 HB2 HIS 52 -2.180 -0.085 -6.795 454 HB3 HIS 52 HB3 HIS 52 -3.224 -1.400 -6.293 455 HD1 HIS 52 HD1 HIS 52 -4.664 2.090 -5.666 456 HD2 HIS 52 HD2 HIS 52 -4.581 -0.934 -8.614 457 HE1 HIS 52 HE1 HIS 52 -6.456 2.679 -7.381 458 H LEU 53 HN LEU 53 -3.542 0.928 -2.405 459 HA LEU 53 HA LEU 53 -5.427 -1.291 -1.906 460 HB2 LEU 53 HB2 LEU 53 -4.780 0.964 -0.029 461 HB3 LEU 53 HB3 LEU 53 -5.884 -0.391 0.235 462 HG LEU 53 HG LEU 53 -3.636 -1.756 -0.606 463 HD11 LEU 53 HD11 LEU 53 -1.752 -0.924 0.693 464 HD12 LEU 53 HD12 LEU 53 -2.691 0.485 1.218 465 HD13 LEU 53 HD13 LEU 53 -2.269 0.307 -0.490 466 HD21 LEU 53 HD21 LEU 53 -4.332 -1.084 2.258 467 HD22 LEU 53 HD22 LEU 53 -3.325 -2.440 1.695 468 HD23 LEU 53 HD23 LEU 53 -5.047 -2.388 1.297 469 H THR 54 HN THR 54 -7.719 -0.721 -1.120 470 HA THR 54 HA THR 54 -8.874 1.354 -2.859 471 HB THR 54 HB THR 54 -9.389 -1.620 -3.146 472 HG1 THR 54 HG1 THR 54 -7.610 0.012 -4.307 473 HG21 THR 54 HG21 THR 54 -10.629 0.670 -4.689 474 HG22 THR 54 HG22 THR 54 -11.458 -0.388 -3.516 475 HG23 THR 54 HG23 THR 54 -10.820 -1.074 -5.011 476 H LEU 55 HN LEU 55 -10.344 2.281 -1.834 477 HA LEU 55 HA LEU 55 -11.270 1.132 0.774 478 HB2 LEU 55 HB2 LEU 55 -10.946 3.934 -0.297 479 HB3 LEU 55 HB3 LEU 55 -11.980 3.650 1.070 480 HG LEU 55 HG LEU 55 -9.809 4.467 1.665 481 HD11 LEU 55 HD11 LEU 55 -9.960 1.754 2.841 482 HD12 LEU 55 HD12 LEU 55 -10.999 3.143 3.321 483 HD13 LEU 55 HD13 LEU 55 -9.227 3.224 3.498 484 HD21 LEU 55 HD21 LEU 55 -8.501 3.237 -0.037 485 HD22 LEU 55 HD22 LEU 55 -8.665 1.731 0.903 486 HD23 LEU 55 HD23 LEU 55 -7.789 3.126 1.588 487 H ARG 56 HN ARG 56 -13.418 1.591 1.483 488 HA ARG 56 HA ARG 56 -15.467 2.265 -0.581 489 HB2 ARG 56 HB2 ARG 56 -15.466 -0.186 -0.192 490 HB3 ARG 56 HB3 ARG 56 -15.741 0.095 1.550 491 HG2 ARG 56 HG2 ARG 56 -17.857 1.373 0.853 492 HG3 ARG 56 HG3 ARG 56 -17.529 0.841 -0.782 493 HD2 ARG 56 HD2 ARG 56 -18.321 -0.736 1.647 494 HD3 ARG 56 HD3 ARG 56 -19.121 -0.653 0.073 495 HE ARG 56 HE ARG 56 -17.073 -1.899 -0.782 496 HH11 ARG 56 HH11 ARG 56 -19.162 -2.718 1.839 497 HH12 ARG 56 HH12 ARG 56 -18.278 -4.042 2.506 498 HH21 ARG 56 HH21 ARG 56 -15.677 -3.726 0.116 499 HH22 ARG 56 HH22 ARG 56 -16.032 -4.278 1.726 500 H GLU 57 HN GLU 57 -16.480 4.009 0.054 501 HA GLU 57 HA GLU 57 -16.752 4.729 2.940 502 HB2 GLU 57 HB2 GLU 57 -15.253 6.114 1.575 503 HB3 GLU 57 HB3 GLU 57 -16.553 6.413 0.425 504 HG2 GLU 57 HG2 GLU 57 -17.810 7.353 2.587 505 HG3 GLU 57 HG3 GLU 57 -16.151 7.452 3.184 506 H GLY 58 HN GLY 58 -18.772 3.612 3.222 507 HA2 GLY 58 HA1 GLY 58 -21.039 3.505 3.334 508 HA3 GLY 58 HA2 GLY 58 -21.103 5.122 2.609 509 H SER 59 HN SER 59 -21.604 5.306 0.460 510 HA SER 59 HA SER 59 -22.188 2.871 -1.130 511 HB2 SER 59 HB2 SER 59 -24.135 4.181 -0.335 512 HB3 SER 59 HB3 SER 59 -23.493 5.610 -1.154 513 HG SER 59 HG SER 59 -23.549 3.952 -3.052 514 H LYS 60 HN LYS 60 -19.632 4.726 -0.906 515 HA LYS 60 HA LYS 60 -19.265 5.012 -3.851 516 HB2 LYS 60 HB2 LYS 60 -19.214 7.183 -2.839 517 HB3 LYS 60 HB3 LYS 60 -18.147 6.659 -1.537 518 HG2 LYS 60 HG2 LYS 60 -16.279 6.486 -2.979 519 HG3 LYS 60 HG3 LYS 60 -17.259 6.515 -4.423 520 HD2 LYS 60 HD2 LYS 60 -16.236 8.603 -4.334 521 HD3 LYS 60 HD3 LYS 60 -17.925 8.899 -3.876 522 HE2 LYS 60 HE2 LYS 60 -17.212 8.938 -1.472 523 HE3 LYS 60 HE3 LYS 60 -15.542 8.624 -1.970 524 HZ1 LYS 60 HZ1 LYS 60 -15.570 10.734 -3.163 525 HZ2 LYS 60 HZ2 LYS 60 -15.854 10.925 -1.575 526 HZ3 LYS 60 HZ3 LYS 60 -17.099 11.052 -2.623 527 H GLU 61 HN GLU 61 -17.148 4.317 -4.615 528 HA GLU 61 HA GLU 61 -15.395 2.857 -2.775 529 HB2 GLU 61 HB2 GLU 61 -16.610 1.749 -5.323 530 HB3 GLU 61 HB3 GLU 61 -14.941 1.416 -4.920 531 HG2 GLU 61 HG2 GLU 61 -15.808 -0.406 -3.942 532 HG3 GLU 61 HG3 GLU 61 -15.839 0.676 -2.569 533 H PHE 62 HN PHE 62 -13.117 3.181 -3.459 534 HA PHE 62 HA PHE 62 -12.460 4.685 -5.870 535 HB2 PHE 62 HB2 PHE 62 -11.386 6.552 -4.756 536 HB3 PHE 62 HB3 PHE 62 -13.128 6.596 -4.637 537 HD1 PHE 62 HD2 PHE 62 -14.274 6.234 -2.432 538 HD2 PHE 62 HD1 PHE 62 -9.991 6.282 -2.715 539 HE1 PHE 62 HE2 PHE 62 -14.148 6.852 -0.090 540 HE2 PHE 62 HE1 PHE 62 -9.853 6.681 -0.259 541 HZ PHE 62 HZ PHE 62 -11.916 6.938 1.074 542 H GLY 63 HN GLY 63 -10.311 4.381 -6.362 543 HA2 GLY 63 HA1 GLY 63 -8.797 2.453 -4.713 544 HA3 GLY 63 HA2 GLY 63 -8.452 2.956 -6.376 545 H VAL 64 HN VAL 64 -6.887 2.975 -3.730 546 HA VAL 64 HA VAL 64 -5.766 5.730 -4.146 547 HB VAL 64 HB VAL 64 -5.366 5.819 -1.719 548 HG11 VAL 64 HG11 VAL 64 -7.596 6.568 -2.897 549 HG12 VAL 64 HG12 VAL 64 -8.292 5.197 -2.005 550 HG13 VAL 64 HG13 VAL 64 -7.509 6.538 -1.161 551 HG21 VAL 64 HG21 VAL 64 -5.307 3.292 -1.384 552 HG22 VAL 64 HG22 VAL 64 -6.247 4.181 -0.183 553 HG23 VAL 64 HG23 VAL 64 -7.041 3.297 -1.519 554 H PHE 65 HN PHE 65 -3.556 5.906 -2.881 555 HA PHE 65 HA PHE 65 -1.942 3.447 -3.189 556 HB2 PHE 65 HB2 PHE 65 -1.229 6.089 -4.520 557 HB3 PHE 65 HB3 PHE 65 -0.168 4.694 -4.395 558 HD1 PHE 65 HD1 PHE 65 -3.194 6.067 -6.037 559 HD2 PHE 65 HD2 PHE 65 -0.545 2.665 -5.746 560 HE1 PHE 65 HE1 PHE 65 -4.170 5.123 -8.104 561 HE2 PHE 65 HE2 PHE 65 -1.493 1.780 -7.875 562 HZ PHE 65 HZ PHE 65 -3.314 2.989 -9.030 563 H VAL 66 HN VAL 66 0.255 3.700 -2.220 564 HA VAL 66 HA VAL 66 0.367 5.535 0.086 565 HB VAL 66 HB VAL 66 -0.862 3.773 0.996 566 HG11 VAL 66 HG11 VAL 66 0.965 1.696 -0.042 567 HG12 VAL 66 HG12 VAL 66 -0.598 1.616 0.884 568 HG13 VAL 66 HG13 VAL 66 -0.603 2.193 -0.762 569 HG21 VAL 66 HG21 VAL 66 0.476 2.954 2.719 570 HG22 VAL 66 HG22 VAL 66 1.968 3.057 1.746 571 HG23 VAL 66 HG23 VAL 66 1.169 4.543 2.307 572 H THR 67 HN THR 67 2.464 6.397 0.127 573 HA THR 67 HA THR 67 4.401 5.054 -1.687 574 HB THR 67 HB THR 67 3.882 7.680 -1.744 575 HG1 THR 67 HG1 THR 67 6.032 7.878 -2.465 576 HG21 THR 67 HG21 THR 67 4.452 7.994 0.632 577 HG22 THR 67 HG22 THR 67 5.337 9.024 -0.496 578 HG23 THR 67 HG23 THR 67 6.149 7.636 0.264 579 H ILE 68 HN ILE 68 6.348 4.312 -0.824 580 HA ILE 68 HA ILE 68 6.875 4.506 2.069 581 HB ILE 68 HB ILE 68 6.656 1.870 0.544 582 HG12 ILE 68 HG12 ILE 68 4.966 2.911 2.865 583 HG13 ILE 68 HG13 ILE 68 4.428 2.677 1.199 584 HG21 ILE 68 HG21 ILE 68 7.320 0.888 2.811 585 HG22 ILE 68 HG22 ILE 68 8.564 1.971 2.190 586 HG23 ILE 68 HG23 ILE 68 7.440 2.524 3.446 587 HD11 ILE 68 HD11 ILE 68 4.878 0.221 1.418 588 HD12 ILE 68 HD12 ILE 68 5.157 0.484 3.163 589 HD13 ILE 68 HD13 ILE 68 3.589 0.858 2.455 590 H SER 69 HN SER 69 8.852 5.519 1.858 591 HA SER 69 HA SER 69 10.687 4.734 -0.370 592 HB2 SER 69 HB2 SER 69 10.906 7.131 1.500 593 HB3 SER 69 HB3 SER 69 11.856 6.784 0.064 594 HG SER 69 HG SER 69 9.460 6.728 -0.891 595 H PHE 70 HN PHE 70 12.120 3.151 0.293 596 HA PHE 70 HA PHE 70 12.966 3.112 3.106 597 HB2 PHE 70 HB2 PHE 70 12.224 0.904 3.529 598 HB3 PHE 70 HB3 PHE 70 10.845 1.704 2.842 599 HD1 PHE 70 HD2 PHE 70 10.416 1.331 0.278 600 HD2 PHE 70 HD1 PHE 70 13.149 -1.069 2.589 601 HE1 PHE 70 HE2 PHE 70 10.315 -0.437 -1.414 602 HE2 PHE 70 HE1 PHE 70 12.996 -2.888 0.900 603 HZ PHE 70 HZ PHE 70 11.543 -2.593 -1.103 604 H ASP 71 HN ASP 71 14.497 1.045 3.237 605 HA ASP 71 HA ASP 71 16.370 1.484 1.010 606 HB2 ASP 71 HB2 ASP 71 18.065 1.741 2.363 607 HB3 ASP 71 HB3 ASP 71 16.782 2.348 3.392 608 HA PRO 72 HA PRO 72 16.400 -2.891 0.227 609 HB2 PRO 72 HB2 PRO 72 18.105 -2.997 -1.815 610 HB3 PRO 72 HB3 PRO 72 16.691 -1.937 -1.946 611 HG2 PRO 72 HG2 PRO 72 19.510 -1.129 -1.132 612 HG3 PRO 72 HG3 PRO 72 18.466 -0.395 -2.400 613 HD2 PRO 72 HD2 PRO 72 18.553 0.537 0.208 614 HD3 PRO 72 HD3 PRO 72 17.118 0.651 -0.824 615 H TYR 73 HN TYR 73 18.759 -1.252 1.987 616 HA TYR 73 HA TYR 73 20.956 -3.151 1.961 617 HB2 TYR 73 HB2 TYR 73 20.178 -0.717 3.604 618 HB3 TYR 73 HB3 TYR 73 21.424 -1.802 4.158 619 HD1 TYR 73 HD2 TYR 73 20.663 -0.390 0.706 620 HD2 TYR 73 HD1 TYR 73 23.488 -0.815 3.953 621 HE1 TYR 73 HE2 TYR 73 22.428 0.647 -0.678 622 HE2 TYR 73 HE1 TYR 73 25.195 0.329 2.585 623 HH TYR 73 HH TYR 73 25.729 0.577 0.306 624 H SER 74 HN SER 74 18.392 -2.187 4.232 625 HA SER 74 HA SER 74 18.582 -4.717 5.743 626 HB2 SER 74 HB2 SER 74 20.190 -2.624 6.328 627 HB3 SER 74 HB3 SER 74 18.726 -2.064 7.154 628 HG SER 74 HG SER 74 19.916 -3.222 8.565 629 H GLN 75 HN GLN 75 16.628 -2.202 4.419 630 HA GLN 75 HA GLN 75 14.514 -1.577 4.586 631 HB2 GLN 75 HB2 GLN 75 14.048 -4.029 6.377 632 HB3 GLN 75 HB3 GLN 75 12.854 -2.826 6.003 633 HG2 GLN 75 HG2 GLN 75 12.336 -4.409 4.453 634 HG3 GLN 75 HG3 GLN 75 13.361 -3.350 3.488 635 HE21 GLN 75 HE21 GLN 75 15.464 -4.163 2.792 636 HE22 GLN 75 HE22 GLN 75 15.737 -5.906 2.838 637 H LYS 76 HN LYS 76 16.013 0.134 5.504 638 HA LYS 76 HA LYS 76 14.589 0.967 8.003 639 HB2 LYS 76 HB2 LYS 76 16.802 2.252 6.307 640 HB3 LYS 76 HB3 LYS 76 15.716 3.195 7.316 641 HG2 LYS 76 HG2 LYS 76 16.543 1.188 9.087 642 HG3 LYS 76 HG3 LYS 76 18.001 1.519 8.145 643 HD2 LYS 76 HD2 LYS 76 17.801 3.921 8.707 644 HD3 LYS 76 HD3 LYS 76 16.300 3.629 9.555 645 HE2 LYS 76 HE2 LYS 76 17.406 2.273 11.227 646 HE3 LYS 76 HE3 LYS 76 18.950 2.398 10.364 647 HZ1 LYS 76 HZ1 LYS 76 19.151 4.618 10.916 648 HZ2 LYS 76 HZ2 LYS 76 18.470 4.004 12.298 649 HZ3 LYS 76 HZ3 LYS 76 17.548 4.827 11.257 650 H VAL 77 HN VAL 77 12.770 2.263 7.693 651 HA VAL 77 HA VAL 77 12.109 3.009 4.920 652 HB VAL 77 HB VAL 77 10.528 1.633 5.839 653 HG11 VAL 77 HG11 VAL 77 10.803 1.960 8.230 654 HG12 VAL 77 HG12 VAL 77 10.011 3.539 8.117 655 HG13 VAL 77 HG13 VAL 77 9.118 2.041 7.730 656 HG21 VAL 77 HG21 VAL 77 8.522 2.979 5.470 657 HG22 VAL 77 HG22 VAL 77 9.449 4.471 5.730 658 HG23 VAL 77 HG23 VAL 77 9.787 3.438 4.337 659 H ASN 78 HN ASN 78 12.435 4.961 4.341 660 HA ASN 78 HA ASN 78 13.571 6.835 6.293 661 HB2 ASN 78 HB2 ASN 78 13.342 6.871 3.252 662 HB3 ASN 78 HB3 ASN 78 14.184 8.065 4.221 663 HD21 ASN 78 HD21 ASN 78 14.956 5.635 2.268 664 HD22 ASN 78 HD22 ASN 78 16.237 4.865 3.169 665 H LYS 79 HN LYS 79 10.859 6.661 3.934 666 HA LYS 79 HA LYS 79 9.404 8.537 5.686 667 HB2 LYS 79 HB2 LYS 79 9.296 10.351 4.331 668 HB3 LYS 79 HB3 LYS 79 10.849 9.731 3.818 669 HG2 LYS 79 HG2 LYS 79 9.205 8.490 1.997 670 HG3 LYS 79 HG3 LYS 79 8.292 9.944 2.339 671 HD2 LYS 79 HD2 LYS 79 10.610 11.178 1.911 672 HD3 LYS 79 HD3 LYS 79 11.071 9.635 1.177 673 HE2 LYS 79 HE2 LYS 79 10.158 10.614 -0.686 674 HE3 LYS 79 HE3 LYS 79 8.701 9.881 -0.031 675 HZ1 LYS 79 HZ1 LYS 79 8.492 12.215 1.130 676 HZ2 LYS 79 HZ2 LYS 79 8.076 12.068 -0.439 677 HZ3 LYS 79 HZ3 LYS 79 9.522 12.690 -0.075 678 H ILE 80 HN ILE 80 7.115 8.678 5.159 679 HA ILE 80 HA ILE 80 5.994 6.614 3.379 680 HB ILE 80 HB ILE 80 5.279 6.808 6.345 681 HG12 ILE 80 HG12 ILE 80 6.760 4.611 4.834 682 HG13 ILE 80 HG13 ILE 80 7.422 5.665 6.091 683 HG21 ILE 80 HG21 ILE 80 3.784 4.899 5.877 684 HG22 ILE 80 HG22 ILE 80 3.325 6.281 4.908 685 HG23 ILE 80 HG23 ILE 80 4.234 4.946 4.161 686 HD11 ILE 80 HD11 ILE 80 7.015 3.611 7.156 687 HD12 ILE 80 HD12 ILE 80 5.724 4.709 7.694 688 HD13 ILE 80 HD13 ILE 80 5.398 3.464 6.452 689 H ALA 81 HN ALA 81 4.093 7.384 2.470 690 HA ALA 81 HA ALA 81 2.631 9.604 3.664 691 HB1 ALA 81 HB1 ALA 81 2.772 11.105 1.858 692 HB2 ALA 81 HB2 ALA 81 4.457 10.633 2.115 693 HB3 ALA 81 HB3 ALA 81 3.510 9.930 0.767 694 H ILE 82 HN ILE 82 0.679 10.068 2.105 695 HA ILE 82 HA ILE 82 -0.403 7.492 1.126 696 HB ILE 82 HB ILE 82 -1.260 9.267 3.393 697 HG12 ILE 82 HG12 ILE 82 0.119 7.182 3.794 698 HG13 ILE 82 HG13 ILE 82 -1.395 7.281 4.670 699 HG21 ILE 82 HG21 ILE 82 -3.283 9.272 2.198 700 HG22 ILE 82 HG22 ILE 82 -3.097 7.564 1.766 701 HG23 ILE 82 HG23 ILE 82 -3.464 8.022 3.435 702 HD11 ILE 82 HD11 ILE 82 -1.248 5.772 2.043 703 HD12 ILE 82 HD12 ILE 82 -0.816 5.013 3.576 704 HD13 ILE 82 HD13 ILE 82 -2.455 5.639 3.326 705 H LEU 83 HN LEU 83 -1.498 7.653 -0.747 706 HA LEU 83 HA LEU 83 -2.147 10.351 -1.877 707 HB2 LEU 83 HB2 LEU 83 -0.384 8.641 -2.963 708 HB3 LEU 83 HB3 LEU 83 -1.857 7.792 -3.396 709 HG LEU 83 HG LEU 83 -2.550 10.211 -4.322 710 HD11 LEU 83 HD11 LEU 83 -0.669 11.445 -5.247 711 HD12 LEU 83 HD12 LEU 83 0.481 10.271 -4.583 712 HD13 LEU 83 HD13 LEU 83 -0.450 11.319 -3.493 713 HD21 LEU 83 HD21 LEU 83 -0.679 8.289 -5.716 714 HD22 LEU 83 HD22 LEU 83 -1.666 9.544 -6.517 715 HD23 LEU 83 HD23 LEU 83 -2.461 8.231 -5.648 716 H GLU 84 HN GLU 84 -4.107 10.257 -3.256 717 HA GLU 84 HA GLU 84 -5.878 7.968 -2.878 718 HB2 GLU 84 HB2 GLU 84 -6.518 10.925 -2.565 719 HB3 GLU 84 HB3 GLU 84 -7.728 9.744 -3.088 720 HG2 GLU 84 HG2 GLU 84 -8.238 9.359 -1.001 721 HG3 GLU 84 HG3 GLU 84 -6.721 8.524 -0.842 722 H GLU 85 HN GLU 85 -7.319 7.823 -4.743 723 HA GLU 85 HA GLU 85 -6.439 9.382 -7.112 724 HB2 GLU 85 HB2 GLU 85 -6.775 6.966 -7.423 725 HB3 GLU 85 HB3 GLU 85 -8.465 7.129 -6.877 726 HG2 GLU 85 HG2 GLU 85 -9.175 8.206 -8.698 727 HG3 GLU 85 HG3 GLU 85 -7.578 8.846 -9.162 728 H TYR 86 HN TYR 86 -8.113 10.553 -8.285 729 HA TYR 86 HA TYR 86 -10.694 11.099 -7.162 730 HB2 TYR 86 HB2 TYR 86 -10.288 13.615 -7.379 731 HB3 TYR 86 HB3 TYR 86 -9.625 12.832 -5.961 732 HD1 TYR 86 HD1 TYR 86 -8.732 14.252 -9.317 733 HD2 TYR 86 HD2 TYR 86 -7.287 12.877 -5.484 734 HE1 TYR 86 HE1 TYR 86 -6.531 15.244 -9.798 735 HE2 TYR 86 HE2 TYR 86 -5.069 13.859 -5.965 736 HH TYR 86 HH TYR 86 -4.404 15.731 -8.940 737 H GLN 87 HN GLN 87 -11.795 12.677 -8.941 738 HA GLN 87 HA GLN 87 -10.638 12.115 -11.605 739 HB2 GLN 87 HB2 GLN 87 -13.518 11.433 -10.858 740 HB3 GLN 87 HB3 GLN 87 -12.827 11.447 -12.473 741 HG2 GLN 87 HG2 GLN 87 -12.814 9.204 -11.954 742 HG3 GLN 87 HG3 GLN 87 -11.148 9.686 -11.648 743 HE21 GLN 87 HE21 GLN 87 -10.868 7.779 -10.214 744 HE22 GLN 87 HE22 GLN 87 -11.688 7.712 -8.679 Start of MODEL 34 1 H1 GLY 1 HN GLY 1 -17.555 -14.832 -7.084 2 HA2 GLY 1 HA1 GLY 1 -18.007 -12.990 -4.796 3 HA3 GLY 1 HA2 GLY 1 -17.940 -14.756 -4.607 4 H GLU 2 HN GLU 2 -15.995 -12.015 -4.301 5 HA GLU 2 HA GLU 2 -13.494 -13.441 -5.002 6 HB2 GLU 2 HB2 GLU 2 -14.548 -12.045 -6.944 7 HB3 GLU 2 HB3 GLU 2 -14.215 -10.644 -5.955 8 HG2 GLU 2 HG2 GLU 2 -12.347 -10.781 -7.378 9 HG3 GLU 2 HG3 GLU 2 -11.761 -11.469 -5.864 10 H GLU 3 HN GLU 3 -12.187 -13.175 -3.141 11 HA GLU 3 HA GLU 3 -12.842 -11.084 -1.201 12 HB2 GLU 3 HB2 GLU 3 -10.684 -13.210 -1.360 13 HB3 GLU 3 HB3 GLU 3 -10.549 -11.856 -0.237 14 HG2 GLU 3 HG2 GLU 3 -12.794 -12.391 0.701 15 HG3 GLU 3 HG3 GLU 3 -12.835 -13.845 -0.305 16 H THR 4 HN THR 4 -9.898 -11.796 -3.178 17 HA THR 4 HA THR 4 -9.420 -8.969 -3.644 18 HB THR 4 HB THR 4 -7.000 -9.324 -2.808 19 HG1 THR 4 HG1 THR 4 -7.475 -11.717 -2.330 20 HG21 THR 4 HG21 THR 4 -8.852 -7.959 -1.650 21 HG22 THR 4 HG22 THR 4 -7.460 -8.444 -0.690 22 HG23 THR 4 HG23 THR 4 -8.979 -9.335 -0.535 23 HA PRO 5 HA PRO 5 -7.805 -10.810 -7.329 24 HB2 PRO 5 HB2 PRO 5 -5.905 -9.082 -8.235 25 HB3 PRO 5 HB3 PRO 5 -7.625 -8.598 -8.077 26 HG2 PRO 5 HG2 PRO 5 -5.407 -8.175 -6.052 27 HG3 PRO 5 HG3 PRO 5 -6.501 -6.940 -6.760 28 HD2 PRO 5 HD2 PRO 5 -7.075 -8.033 -4.396 29 HD3 PRO 5 HD3 PRO 5 -8.372 -7.766 -5.591 30 H LEU 6 HN LEU 6 -6.048 -11.063 -4.518 31 HA LEU 6 HA LEU 6 -3.456 -11.728 -5.677 32 HB2 LEU 6 HB2 LEU 6 -4.418 -12.025 -2.809 33 HB3 LEU 6 HB3 LEU 6 -2.784 -12.293 -3.403 34 HG LEU 6 HG LEU 6 -4.293 -9.671 -3.146 35 HD11 LEU 6 HD11 LEU 6 -1.541 -10.600 -2.229 36 HD12 LEU 6 HD12 LEU 6 -2.983 -10.624 -1.226 37 HD13 LEU 6 HD13 LEU 6 -2.349 -9.068 -1.785 38 HD21 LEU 6 HD21 LEU 6 -2.244 -8.562 -4.152 39 HD22 LEU 6 HD22 LEU 6 -3.289 -9.385 -5.312 40 HD23 LEU 6 HD23 LEU 6 -1.776 -10.139 -4.794 41 H VAL 7 HN VAL 7 -3.971 -13.356 -7.084 42 HA VAL 7 HA VAL 7 -5.117 -15.839 -6.450 43 HB VAL 7 HB VAL 7 -2.820 -15.443 -8.400 44 HG11 VAL 7 HG11 VAL 7 -3.998 -17.092 -9.782 45 HG12 VAL 7 HG12 VAL 7 -3.700 -17.771 -8.188 46 HG13 VAL 7 HG13 VAL 7 -5.321 -17.181 -8.594 47 HG21 VAL 7 HG21 VAL 7 -5.735 -14.635 -8.805 48 HG22 VAL 7 HG22 VAL 7 -4.312 -13.573 -8.879 49 HG23 VAL 7 HG23 VAL 7 -4.529 -14.792 -10.104 50 H THR 8 HN THR 8 -2.131 -14.516 -5.386 51 HA THR 8 HA THR 8 -0.686 -17.001 -4.949 52 HB THR 8 HB THR 8 -0.241 -14.374 -3.475 53 HG1 THR 8 HG1 THR 8 -0.266 -13.832 -5.631 54 HG21 THR 8 HG21 THR 8 1.689 -16.546 -4.427 55 HG22 THR 8 HG22 THR 8 1.167 -16.308 -2.749 56 HG23 THR 8 HG23 THR 8 2.135 -15.069 -3.540 57 H ALA 9 HN ALA 9 -0.468 -18.121 -2.993 58 HA ALA 9 HA ALA 9 -2.561 -17.919 -0.988 59 HB1 ALA 9 HB1 ALA 9 -0.080 -19.679 -1.313 60 HB2 ALA 9 HB2 ALA 9 -1.302 -19.880 -0.049 61 HB3 ALA 9 HB3 ALA 9 -1.752 -20.101 -1.739 62 H ARG 10 HN ARG 10 -1.060 -18.468 1.175 63 HA ARG 10 HA ARG 10 -0.910 -16.064 2.411 64 HB2 ARG 10 HB2 ARG 10 -0.336 -17.361 4.370 65 HB3 ARG 10 HB3 ARG 10 -1.467 -18.247 3.355 66 HG2 ARG 10 HG2 ARG 10 0.745 -19.351 2.344 67 HG3 ARG 10 HG3 ARG 10 1.471 -18.778 3.851 68 HD2 ARG 10 HD2 ARG 10 -0.722 -20.812 3.422 69 HD3 ARG 10 HD3 ARG 10 0.802 -21.024 4.256 70 HE ARG 10 HE ARG 10 -0.045 -19.772 6.148 71 HH11 ARG 10 HH11 ARG 10 -2.570 -20.658 3.792 72 HH12 ARG 10 HH12 ARG 10 -3.771 -20.942 4.989 73 HH21 ARG 10 HH21 ARG 10 -1.611 -19.931 7.662 74 HH22 ARG 10 HH22 ARG 10 -3.237 -20.426 7.313 75 H HIS 11 HN HIS 11 1.442 -16.351 0.307 76 HA HIS 11 HA HIS 11 3.573 -15.306 2.100 77 HB2 HIS 11 HB2 HIS 11 4.210 -16.888 0.382 78 HB3 HIS 11 HB3 HIS 11 3.646 -15.788 -0.884 79 HD1 HIS 11 HD1 HIS 11 6.231 -15.674 -1.806 80 HD2 HIS 11 HD2 HIS 11 5.576 -14.299 2.120 81 HE1 HIS 11 HE1 HIS 11 8.303 -14.350 -1.147 82 H MET 12 HN MET 12 2.255 -13.585 2.820 83 HA MET 12 HA MET 12 1.973 -11.296 1.003 84 HB2 MET 12 HB2 MET 12 0.952 -11.910 3.684 85 HB3 MET 12 HB3 MET 12 1.747 -10.356 3.656 86 HG2 MET 12 HG2 MET 12 0.373 -9.703 1.765 87 HG3 MET 12 HG3 MET 12 -0.315 -11.330 1.648 88 HE1 MET 12 HE1 MET 12 -2.134 -8.697 1.773 89 HE2 MET 12 HE2 MET 12 -2.288 -7.948 3.400 90 HE3 MET 12 HE3 MET 12 -0.721 -7.998 2.589 91 H SER 13 HN SER 13 3.171 -9.355 2.867 92 HA SER 13 HA SER 13 5.990 -9.718 2.032 93 HB2 SER 13 HB2 SER 13 3.988 -8.139 0.755 94 HB3 SER 13 HB3 SER 13 4.981 -7.022 1.693 95 HG SER 13 HG SER 13 5.855 -8.957 -0.224 96 H LYS 14 HN LYS 14 7.270 -7.684 2.992 97 HA LYS 14 HA LYS 14 6.848 -7.506 5.859 98 HB2 LYS 14 HB2 LYS 14 9.059 -7.303 4.668 99 HB3 LYS 14 HB3 LYS 14 8.533 -5.781 3.977 100 HG2 LYS 14 HG2 LYS 14 9.767 -5.016 5.763 101 HG3 LYS 14 HG3 LYS 14 8.173 -5.080 6.528 102 HD2 LYS 14 HD2 LYS 14 8.778 -7.422 7.332 103 HD3 LYS 14 HD3 LYS 14 10.403 -7.161 6.666 104 HE2 LYS 14 HE2 LYS 14 10.508 -5.062 8.160 105 HE3 LYS 14 HE3 LYS 14 9.041 -5.689 8.950 106 HZ1 LYS 14 HZ1 LYS 14 11.704 -6.937 8.819 107 HZ2 LYS 14 HZ2 LYS 14 10.373 -7.776 9.306 108 HZ3 LYS 14 HZ3 LYS 14 10.914 -6.463 10.162 109 H TRP 15 HN TRP 15 6.731 -5.094 3.276 110 HA TRP 15 HA TRP 15 5.663 -3.098 5.006 111 HB2 TRP 15 HB2 TRP 15 6.026 -3.068 1.984 112 HB3 TRP 15 HB3 TRP 15 5.823 -1.663 3.021 113 HD1 TRP 15 HD1 TRP 15 8.457 -3.838 1.560 114 HE1 TRP 15 HE1 TRP 15 10.766 -3.199 2.432 115 HE3 TRP 15 HE3 TRP 15 7.090 -0.647 5.416 116 HZ2 TRP 15 HZ2 TRP 15 11.859 -1.699 4.631 117 HZ3 TRP 15 HZ3 TRP 15 8.796 0.213 6.917 118 HH2 TRP 15 HH2 TRP 15 11.228 -0.411 6.567 119 H GLU 16 HN GLU 16 3.879 -5.535 3.628 120 HA GLU 16 HA GLU 16 1.743 -4.060 2.310 121 HB2 GLU 16 HB2 GLU 16 0.556 -6.215 2.356 122 HB3 GLU 16 HB3 GLU 16 2.190 -6.373 1.732 123 HG2 GLU 16 HG2 GLU 16 1.976 -8.233 2.965 124 HG3 GLU 16 HG3 GLU 16 2.937 -7.162 3.971 125 H GLU 17 HN GLU 17 2.274 -5.434 5.579 126 HA GLU 17 HA GLU 17 -0.325 -4.971 6.401 127 HB2 GLU 17 HB2 GLU 17 2.103 -6.140 7.323 128 HB3 GLU 17 HB3 GLU 17 1.759 -4.913 8.524 129 HG2 GLU 17 HG2 GLU 17 -0.578 -6.627 7.707 130 HG3 GLU 17 HG3 GLU 17 0.766 -7.457 8.465 131 H ILE 18 HN ILE 18 2.539 -3.038 6.529 132 HA ILE 18 HA ILE 18 1.686 -0.811 8.146 133 HB ILE 18 HB ILE 18 3.990 -1.042 6.180 134 HG12 ILE 18 HG12 ILE 18 3.998 -1.650 9.184 135 HG13 ILE 18 HG13 ILE 18 4.003 -2.885 7.928 136 HG21 ILE 18 HG21 ILE 18 3.591 0.737 8.637 137 HG22 ILE 18 HG22 ILE 18 5.009 0.742 7.565 138 HG23 ILE 18 HG23 ILE 18 3.459 1.272 6.960 139 HD11 ILE 18 HD11 ILE 18 6.237 -0.905 8.404 140 HD12 ILE 18 HD12 ILE 18 6.218 -2.642 8.734 141 HD13 ILE 18 HD13 ILE 18 6.139 -2.071 7.057 142 H ALA 19 HN ALA 19 1.698 -1.576 4.647 143 HA ALA 19 HA ALA 19 0.654 0.960 3.851 144 HB1 ALA 19 HB1 ALA 19 -0.028 -0.121 1.806 145 HB2 ALA 19 HB2 ALA 19 1.598 -0.671 2.263 146 HB3 ALA 19 HB3 ALA 19 0.188 -1.727 2.511 147 H VAL 20 HN VAL 20 -1.029 -2.140 4.795 148 HA VAL 20 HA VAL 20 -3.595 -1.060 4.220 149 HB VAL 20 HB VAL 20 -2.656 -3.395 5.948 150 HG11 VAL 20 HG11 VAL 20 -5.516 -2.669 5.177 151 HG12 VAL 20 HG12 VAL 20 -4.992 -4.233 5.857 152 HG13 VAL 20 HG13 VAL 20 -4.858 -2.759 6.814 153 HG21 VAL 20 HG21 VAL 20 -4.097 -3.377 3.262 154 HG22 VAL 20 HG22 VAL 20 -2.332 -3.589 3.453 155 HG23 VAL 20 HG23 VAL 20 -3.464 -4.782 4.104 156 H LYS 21 HN LYS 21 -1.623 -0.835 7.269 157 HA LYS 21 HA LYS 21 -3.889 0.182 8.734 158 HB2 LYS 21 HB2 LYS 21 -2.141 1.025 10.361 159 HB3 LYS 21 HB3 LYS 21 -2.380 -0.711 10.151 160 HG2 LYS 21 HG2 LYS 21 -0.474 -0.777 8.629 161 HG3 LYS 21 HG3 LYS 21 -0.186 0.906 8.796 162 HD2 LYS 21 HD2 LYS 21 1.358 -0.254 10.225 163 HD3 LYS 21 HD3 LYS 21 0.129 0.403 11.312 164 HE2 LYS 21 HE2 LYS 21 -0.755 -2.200 10.409 165 HE3 LYS 21 HE3 LYS 21 0.938 -2.365 10.879 166 HZ1 LYS 21 HZ1 LYS 21 0.400 -1.527 13.039 167 HZ2 LYS 21 HZ2 LYS 21 -0.693 -2.729 12.700 168 HZ3 LYS 21 HZ3 LYS 21 -1.142 -1.172 12.609 169 H GLU 22 HN GLU 22 -1.148 1.892 7.057 170 HA GLU 22 HA GLU 22 -2.055 4.479 7.848 171 HB2 GLU 22 HB2 GLU 22 -0.550 3.591 5.372 172 HB3 GLU 22 HB3 GLU 22 -0.816 5.277 5.853 173 HG2 GLU 22 HG2 GLU 22 0.599 3.297 7.651 174 HG3 GLU 22 HG3 GLU 22 1.446 4.243 6.454 175 H ALA 23 HN ALA 23 -3.078 2.330 5.268 176 HA ALA 23 HA ALA 23 -4.725 4.174 3.825 177 HB1 ALA 23 HB1 ALA 23 -5.551 2.175 2.683 178 HB2 ALA 23 HB2 ALA 23 -3.783 2.175 2.813 179 HB3 ALA 23 HB3 ALA 23 -4.762 1.137 3.890 180 H LYS 24 HN LYS 24 -5.287 2.828 6.928 181 HA LYS 24 HA LYS 24 -8.129 3.742 6.670 182 HB2 LYS 24 HB2 LYS 24 -8.765 2.425 8.481 183 HB3 LYS 24 HB3 LYS 24 -7.985 1.438 7.248 184 HG2 LYS 24 HG2 LYS 24 -6.114 0.977 8.579 185 HG3 LYS 24 HG3 LYS 24 -6.382 2.433 9.552 186 HD2 LYS 24 HD2 LYS 24 -6.927 0.583 10.946 187 HD3 LYS 24 HD3 LYS 24 -8.386 1.439 10.545 188 HE2 LYS 24 HE2 LYS 24 -9.313 -0.465 9.931 189 HE3 LYS 24 HE3 LYS 24 -8.244 -0.495 8.522 190 HZ1 LYS 24 HZ1 LYS 24 -6.738 -1.881 9.691 191 HZ2 LYS 24 HZ2 LYS 24 -8.250 -2.472 10.086 192 HZ3 LYS 24 HZ3 LYS 24 -7.427 -1.553 11.145 193 H LYS 25 HN LYS 25 -5.117 4.049 8.491 194 HA LYS 25 HA LYS 25 -6.071 5.727 10.562 195 HB2 LYS 25 HB2 LYS 25 -3.349 5.514 9.224 196 HB3 LYS 25 HB3 LYS 25 -3.647 6.442 10.690 197 HG2 LYS 25 HG2 LYS 25 -4.215 4.453 11.946 198 HG3 LYS 25 HG3 LYS 25 -4.243 3.471 10.478 199 HD2 LYS 25 HD2 LYS 25 -2.198 3.023 11.679 200 HD3 LYS 25 HD3 LYS 25 -1.833 3.824 10.142 201 HE2 LYS 25 HE2 LYS 25 -1.705 6.016 11.446 202 HE3 LYS 25 HE3 LYS 25 -1.841 5.064 12.930 203 HZ1 LYS 25 HZ1 LYS 25 0.452 5.496 12.385 204 HZ2 LYS 25 HZ2 LYS 25 0.299 4.881 10.886 205 HZ3 LYS 25 HZ3 LYS 25 0.201 3.882 12.198 206 H ARG 26 HN ARG 26 -4.944 6.544 7.262 207 HA ARG 26 HA ARG 26 -5.254 9.416 7.803 208 HB2 ARG 26 HB2 ARG 26 -3.389 8.334 6.463 209 HB3 ARG 26 HB3 ARG 26 -4.565 7.973 5.219 210 HG2 ARG 26 HG2 ARG 26 -4.360 10.022 4.354 211 HG3 ARG 26 HG3 ARG 26 -4.719 10.819 5.892 212 HD2 ARG 26 HD2 ARG 26 -2.403 10.712 6.567 213 HD3 ARG 26 HD3 ARG 26 -2.003 9.704 5.162 214 HE ARG 26 HE ARG 26 -3.152 12.091 4.213 215 HH11 ARG 26 HH11 ARG 26 -0.151 10.802 5.595 216 HH12 ARG 26 HH12 ARG 26 0.864 12.062 4.952 217 HH21 ARG 26 HH21 ARG 26 -1.865 13.863 3.527 218 HH22 ARG 26 HH22 ARG 26 -0.146 13.885 3.753 219 H TYR 27 HN TYR 27 -7.711 7.343 7.654 220 HA TYR 27 HA TYR 27 -9.307 8.897 5.732 221 HB2 TYR 27 HB2 TYR 27 -8.988 5.874 5.658 222 HB3 TYR 27 HB3 TYR 27 -10.190 6.806 4.765 223 HD1 TYR 27 HD1 TYR 27 -6.628 5.943 5.035 224 HD2 TYR 27 HD2 TYR 27 -9.561 8.233 2.865 225 HE1 TYR 27 HE1 TYR 27 -4.982 6.313 3.242 226 HE2 TYR 27 HE2 TYR 27 -7.927 8.641 1.072 227 HH TYR 27 HH TYR 27 -5.706 8.166 0.277 228 HA PRO 28 HA PRO 28 -11.441 8.021 9.696 229 HB2 PRO 28 HB2 PRO 28 -12.351 10.601 10.104 230 HB3 PRO 28 HB3 PRO 28 -10.778 9.950 10.664 231 HG2 PRO 28 HG2 PRO 28 -11.327 11.669 8.243 232 HG3 PRO 28 HG3 PRO 28 -9.932 11.717 9.381 233 HD2 PRO 28 HD2 PRO 28 -9.747 10.552 6.979 234 HD3 PRO 28 HD3 PRO 28 -8.839 10.019 8.417 235 H LEU 29 HN LEU 29 -12.435 9.573 6.618 236 HA LEU 29 HA LEU 29 -15.268 9.420 7.282 237 HB2 LEU 29 HB2 LEU 29 -13.666 10.132 4.812 238 HB3 LEU 29 HB3 LEU 29 -15.381 9.825 4.678 239 HG LEU 29 HG LEU 29 -15.976 11.572 6.182 240 HD11 LEU 29 HD11 LEU 29 -12.988 12.117 6.502 241 HD12 LEU 29 HD12 LEU 29 -14.113 11.611 7.787 242 HD13 LEU 29 HD13 LEU 29 -14.287 13.202 7.051 243 HD21 LEU 29 HD21 LEU 29 -15.631 12.088 3.808 244 HD22 LEU 29 HD22 LEU 29 -13.924 12.459 4.147 245 HD23 LEU 29 HD23 LEU 29 -15.223 13.476 4.824 246 H ALA 30 HN ALA 30 -13.106 6.955 6.431 247 HA ALA 30 HA ALA 30 -15.151 5.469 4.842 248 HB1 ALA 30 HB1 ALA 30 -13.421 5.071 3.149 249 HB2 ALA 30 HB2 ALA 30 -13.650 6.815 3.361 250 HB3 ALA 30 HB3 ALA 30 -12.243 6.015 4.082 251 H GLN 31 HN GLN 31 -14.454 3.201 4.432 252 HA GLN 31 HA GLN 31 -12.745 2.087 6.651 253 HB2 GLN 31 HB2 GLN 31 -15.013 0.703 5.131 254 HB3 GLN 31 HB3 GLN 31 -13.932 -0.062 6.303 255 HG2 GLN 31 HG2 GLN 31 -16.102 1.945 6.753 256 HG3 GLN 31 HG3 GLN 31 -15.895 0.343 7.478 257 HE21 GLN 31 HE21 GLN 31 -15.553 3.599 7.981 258 HE22 GLN 31 HE22 GLN 31 -14.547 3.619 9.406 259 H VAL 32 HN VAL 32 -11.021 0.967 6.061 260 HA VAL 32 HA VAL 32 -10.554 0.406 3.207 261 HB VAL 32 HB VAL 32 -8.690 0.956 4.701 262 HG11 VAL 32 HG11 VAL 32 -9.396 -0.268 6.760 263 HG12 VAL 32 HG12 VAL 32 -9.056 -1.801 5.948 264 HG13 VAL 32 HG13 VAL 32 -7.728 -0.672 6.262 265 HG21 VAL 32 HG21 VAL 32 -8.434 -0.459 2.602 266 HG22 VAL 32 HG22 VAL 32 -7.108 -0.560 3.770 267 HG23 VAL 32 HG23 VAL 32 -8.302 -1.874 3.653 268 H LEU 33 HN LEU 33 -10.858 -1.777 2.316 269 HA LEU 33 HA LEU 33 -11.459 -4.072 4.003 270 HB2 LEU 33 HB2 LEU 33 -13.549 -4.400 2.425 271 HB3 LEU 33 HB3 LEU 33 -13.662 -3.664 3.956 272 HG LEU 33 HG LEU 33 -13.148 -1.611 1.918 273 HD11 LEU 33 HD11 LEU 33 -14.166 -2.952 0.291 274 HD12 LEU 33 HD12 LEU 33 -15.394 -1.838 0.820 275 HD13 LEU 33 HD13 LEU 33 -15.430 -3.525 1.414 276 HD21 LEU 33 HD21 LEU 33 -13.961 -1.235 4.173 277 HD22 LEU 33 HD22 LEU 33 -15.441 -2.156 3.848 278 HD23 LEU 33 HD23 LEU 33 -15.099 -0.649 2.977 279 H PHE 34 HN PHE 34 -9.275 -3.290 2.123 280 HA PHE 34 HA PHE 34 -9.404 -5.537 0.280 281 HB2 PHE 34 HB2 PHE 34 -10.112 -2.816 -0.513 282 HB3 PHE 34 HB3 PHE 34 -8.745 -3.383 -1.440 283 HD1 PHE 34 HD1 PHE 34 -8.982 -5.805 -2.512 284 HD2 PHE 34 HD2 PHE 34 -12.311 -3.347 -1.280 285 HE1 PHE 34 HE1 PHE 34 -10.444 -6.966 -4.136 286 HE2 PHE 34 HE2 PHE 34 -13.754 -4.519 -2.912 287 HZ PHE 34 HZ PHE 34 -12.810 -6.295 -4.368 288 H LYS 35 HN LYS 35 -7.329 -5.448 -1.140 289 HA LYS 35 HA LYS 35 -4.983 -4.263 -0.251 290 HB2 LYS 35 HB2 LYS 35 -4.095 -6.584 0.786 291 HB3 LYS 35 HB3 LYS 35 -4.662 -5.252 1.768 292 HG2 LYS 35 HG2 LYS 35 -6.604 -6.279 2.401 293 HG3 LYS 35 HG3 LYS 35 -6.696 -7.301 0.961 294 HD2 LYS 35 HD2 LYS 35 -4.436 -8.266 2.180 295 HD3 LYS 35 HD3 LYS 35 -5.404 -7.826 3.579 296 HE2 LYS 35 HE2 LYS 35 -6.634 -9.417 1.286 297 HE3 LYS 35 HE3 LYS 35 -5.529 -10.235 2.378 298 HZ1 LYS 35 HZ1 LYS 35 -8.060 -8.942 3.201 299 HZ2 LYS 35 HZ2 LYS 35 -6.987 -9.701 4.201 300 HZ3 LYS 35 HZ3 LYS 35 -7.783 -10.550 3.054 301 H GLN 36 HN GLN 36 -4.060 -4.221 -2.234 302 HA GLN 36 HA GLN 36 -3.420 -6.873 -3.363 303 HB2 GLN 36 HB2 GLN 36 -4.015 -6.301 -5.615 304 HB3 GLN 36 HB3 GLN 36 -5.412 -6.094 -4.561 305 HG2 GLN 36 HG2 GLN 36 -4.857 -3.615 -4.507 306 HG3 GLN 36 HG3 GLN 36 -3.646 -3.921 -5.753 307 HE21 GLN 36 HE21 GLN 36 -4.501 -3.095 -7.681 308 HE22 GLN 36 HE22 GLN 36 -6.210 -3.307 -8.127 309 H LYS 37 HN LYS 37 -1.834 -6.621 -5.292 310 HA LYS 37 HA LYS 37 0.503 -5.282 -4.120 311 HB2 LYS 37 HB2 LYS 37 0.217 -7.820 -5.071 312 HB3 LYS 37 HB3 LYS 37 0.606 -7.029 -6.578 313 HG2 LYS 37 HG2 LYS 37 2.733 -7.558 -5.971 314 HG3 LYS 37 HG3 LYS 37 2.637 -6.024 -5.136 315 HD2 LYS 37 HD2 LYS 37 3.363 -7.317 -3.352 316 HD3 LYS 37 HD3 LYS 37 1.641 -7.571 -3.164 317 HE2 LYS 37 HE2 LYS 37 2.510 -9.751 -3.072 318 HE3 LYS 37 HE3 LYS 37 1.950 -9.612 -4.749 319 HZ1 LYS 37 HZ1 LYS 37 4.743 -9.349 -3.796 320 HZ2 LYS 37 HZ2 LYS 37 4.305 -9.056 -5.329 321 HZ3 LYS 37 HZ3 LYS 37 4.119 -10.563 -4.748 322 H VAL 38 HN VAL 38 2.066 -4.408 -5.864 323 HA VAL 38 HA VAL 38 0.865 -3.396 -8.317 324 HB VAL 38 HB VAL 38 2.487 -1.469 -6.604 325 HG11 VAL 38 HG11 VAL 38 0.581 -1.128 -8.966 326 HG12 VAL 38 HG12 VAL 38 1.225 0.217 -8.020 327 HG13 VAL 38 HG13 VAL 38 2.331 -0.778 -8.939 328 HG21 VAL 38 HG21 VAL 38 0.420 -1.939 -5.298 329 HG22 VAL 38 HG22 VAL 38 0.463 -0.298 -5.909 330 HG23 VAL 38 HG23 VAL 38 -0.564 -1.515 -6.707 331 H TRP 39 HN TRP 39 2.975 -2.337 -9.579 332 HA TRP 39 HA TRP 39 5.023 -4.251 -9.944 333 HB2 TRP 39 HB2 TRP 39 4.481 -2.489 -11.567 334 HB3 TRP 39 HB3 TRP 39 4.980 -1.245 -10.424 335 HD1 TRP 39 HD1 TRP 39 6.589 -4.289 -12.213 336 HE1 TRP 39 HE1 TRP 39 9.034 -3.743 -12.762 337 HE3 TRP 39 HE3 TRP 39 7.002 0.349 -10.016 338 HZ2 TRP 39 HZ2 TRP 39 10.732 -1.441 -12.791 339 HZ3 TRP 39 HZ3 TRP 39 9.083 1.661 -10.344 340 HH2 TRP 39 HH2 TRP 39 10.873 0.856 -11.822 341 H ASP 40 HN ASP 40 7.119 -4.436 -9.093 342 HA ASP 40 HA ASP 40 7.846 -2.801 -6.726 343 HB2 ASP 40 HB2 ASP 40 8.350 -4.692 -5.420 344 HB3 ASP 40 HB3 ASP 40 6.732 -4.998 -6.036 345 H ARG 41 HN ARG 41 10.033 -2.255 -6.711 346 HA ARG 41 HA ARG 41 12.003 -3.786 -8.155 347 HB2 ARG 41 HB2 ARG 41 10.822 -2.746 -10.037 348 HB3 ARG 41 HB3 ARG 41 10.980 -1.157 -9.312 349 HG2 ARG 41 HG2 ARG 41 13.544 -2.654 -9.821 350 HG3 ARG 41 HG3 ARG 41 12.594 -2.197 -11.248 351 HD2 ARG 41 HD2 ARG 41 12.497 0.076 -10.618 352 HD3 ARG 41 HD3 ARG 41 13.322 -0.229 -9.057 353 HE ARG 41 HE ARG 41 15.145 -1.159 -10.813 354 HH11 ARG 41 HH11 ARG 41 13.487 1.978 -10.768 355 HH12 ARG 41 HH12 ARG 41 14.956 2.888 -10.873 356 HH21 ARG 41 HH21 ARG 41 17.015 0.015 -11.081 357 HH22 ARG 41 HH22 ARG 41 17.033 1.734 -11.066 358 H LYS 42 HN LYS 42 14.107 -3.047 -7.616 359 HA LYS 42 HA LYS 42 14.198 -1.120 -5.400 360 HB2 LYS 42 HB2 LYS 42 14.768 -3.544 -5.123 361 HB3 LYS 42 HB3 LYS 42 16.136 -3.339 -6.203 362 HG2 LYS 42 HG2 LYS 42 16.107 -1.425 -3.946 363 HG3 LYS 42 HG3 LYS 42 16.060 -3.083 -3.396 364 HD2 LYS 42 HD2 LYS 42 18.094 -2.347 -5.496 365 HD3 LYS 42 HD3 LYS 42 18.346 -1.812 -3.824 366 HE2 LYS 42 HE2 LYS 42 18.100 -4.191 -3.077 367 HE3 LYS 42 HE3 LYS 42 18.009 -4.683 -4.784 368 HZ1 LYS 42 HZ1 LYS 42 20.207 -3.799 -5.117 369 HZ2 LYS 42 HZ2 LYS 42 20.262 -4.825 -3.841 370 HZ3 LYS 42 HZ3 LYS 42 20.284 -3.199 -3.597 371 H ARG 43 HN ARG 43 16.229 0.161 -5.098 372 HA ARG 43 HA ARG 43 17.232 1.294 -7.659 373 HB2 ARG 43 HB2 ARG 43 16.688 2.906 -5.148 374 HB3 ARG 43 HB3 ARG 43 17.210 3.466 -6.731 375 HG2 ARG 43 HG2 ARG 43 14.866 2.091 -7.360 376 HG3 ARG 43 HG3 ARG 43 14.503 2.769 -5.765 377 HD2 ARG 43 HD2 ARG 43 15.207 5.021 -6.677 378 HD3 ARG 43 HD3 ARG 43 15.452 4.229 -8.256 379 HE ARG 43 HE ARG 43 12.856 4.026 -6.823 380 HH11 ARG 43 HH11 ARG 43 14.294 6.320 -8.880 381 HH12 ARG 43 HH12 ARG 43 12.934 6.479 -9.929 382 HH21 ARG 43 HH21 ARG 43 11.011 4.033 -8.376 383 HH22 ARG 43 HH22 ARG 43 11.145 5.006 -9.778 384 H LYS 44 HN LYS 44 19.180 3.022 -6.142 385 HA LYS 44 HA LYS 44 21.208 0.892 -5.877 386 HB2 LYS 44 HB2 LYS 44 21.447 3.916 -5.573 387 HB3 LYS 44 HB3 LYS 44 22.780 2.753 -5.624 388 HG2 LYS 44 HG2 LYS 44 21.978 2.042 -7.920 389 HG3 LYS 44 HG3 LYS 44 20.799 3.366 -7.866 390 HD2 LYS 44 HD2 LYS 44 22.712 4.986 -7.599 391 HD3 LYS 44 HD3 LYS 44 23.827 3.625 -7.743 392 HE2 LYS 44 HE2 LYS 44 23.684 4.646 -9.904 393 HE3 LYS 44 HE3 LYS 44 22.849 3.095 -9.998 394 HZ1 LYS 44 HZ1 LYS 44 20.742 4.303 -9.863 395 HZ2 LYS 44 HZ2 LYS 44 21.628 4.918 -11.083 396 HZ3 LYS 44 HZ3 LYS 44 21.511 5.714 -9.649 397 H ASP 45 HN ASP 45 19.659 3.388 -3.790 398 HA ASP 45 HA ASP 45 20.195 1.844 -1.368 399 HB2 ASP 45 HB2 ASP 45 20.811 4.087 -0.366 400 HB3 ASP 45 HB3 ASP 45 22.002 3.281 -1.360 401 H GLU 46 HN GLU 46 17.820 2.281 -3.076 402 HA GLU 46 HA GLU 46 16.087 2.864 -0.872 403 HB2 GLU 46 HB2 GLU 46 16.435 4.867 -2.867 404 HB3 GLU 46 HB3 GLU 46 14.916 4.088 -3.253 405 HG2 GLU 46 HG2 GLU 46 13.982 4.620 -1.115 406 HG3 GLU 46 HG3 GLU 46 15.566 5.061 -0.444 407 H ALA 47 HN ALA 47 13.832 2.062 -1.563 408 HA ALA 47 HA ALA 47 13.771 0.210 -3.835 409 HB1 ALA 47 HB1 ALA 47 12.994 -1.569 -2.257 410 HB2 ALA 47 HB2 ALA 47 14.708 -1.160 -2.031 411 HB3 ALA 47 HB3 ALA 47 13.498 -0.536 -0.900 412 H VAL 48 HN VAL 48 11.617 -0.234 -4.491 413 HA VAL 48 HA VAL 48 9.538 1.347 -3.110 414 HB VAL 48 HB VAL 48 10.005 1.344 -6.126 415 HG11 VAL 48 HG11 VAL 48 8.358 3.328 -5.883 416 HG12 VAL 48 HG12 VAL 48 7.679 1.713 -5.632 417 HG13 VAL 48 HG13 VAL 48 8.061 2.749 -4.251 418 HG21 VAL 48 HG21 VAL 48 11.828 2.623 -5.120 419 HG22 VAL 48 HG22 VAL 48 10.648 3.764 -5.759 420 HG23 VAL 48 HG23 VAL 48 10.706 3.437 -4.013 421 H LYS 49 HN LYS 49 7.603 0.505 -3.112 422 HA LYS 49 HA LYS 49 6.448 -1.348 -4.797 423 HB2 LYS 49 HB2 LYS 49 6.053 -3.114 -2.862 424 HB3 LYS 49 HB3 LYS 49 7.341 -3.292 -4.040 425 HG2 LYS 49 HG2 LYS 49 9.003 -2.506 -2.484 426 HG3 LYS 49 HG3 LYS 49 7.779 -2.180 -1.247 427 HD2 LYS 49 HD2 LYS 49 8.383 -4.945 -2.428 428 HD3 LYS 49 HD3 LYS 49 9.154 -4.283 -0.989 429 HE2 LYS 49 HE2 LYS 49 7.506 -5.216 0.191 430 HE3 LYS 49 HE3 LYS 49 6.539 -3.835 -0.346 431 HZ1 LYS 49 HZ1 LYS 49 5.344 -5.793 -0.747 432 HZ2 LYS 49 HZ2 LYS 49 6.551 -6.562 -1.522 433 HZ3 LYS 49 HZ3 LYS 49 5.814 -5.285 -2.230 434 H GLN 50 HN GLN 50 4.966 0.348 -4.707 435 HA GLN 50 HA GLN 50 3.707 1.071 -2.139 436 HB2 GLN 50 HB2 GLN 50 3.151 1.780 -5.064 437 HB3 GLN 50 HB3 GLN 50 2.059 2.190 -3.750 438 HG2 GLN 50 HG2 GLN 50 3.179 4.034 -3.385 439 HG3 GLN 50 HG3 GLN 50 4.505 3.071 -2.736 440 HE21 GLN 50 HE21 GLN 50 4.832 5.676 -3.857 441 HE22 GLN 50 HE22 GLN 50 5.797 5.498 -5.290 442 H TYR 51 HN TYR 51 1.206 0.760 -2.186 443 HA TYR 51 HA TYR 51 0.432 -1.907 -3.213 444 HB2 TYR 51 HB2 TYR 51 -0.114 -0.799 -0.439 445 HB3 TYR 51 HB3 TYR 51 -0.904 -2.207 -1.139 446 HD1 TYR 51 HD1 TYR 51 2.358 -0.849 0.019 447 HD2 TYR 51 HD2 TYR 51 0.196 -4.353 -1.283 448 HE1 TYR 51 HE1 TYR 51 4.234 -2.235 0.732 449 HE2 TYR 51 HE2 TYR 51 2.081 -5.783 -0.581 450 HH TYR 51 HH TYR 51 4.275 -4.702 1.594 451 H HIS 52 HN HIS 52 -1.882 -1.974 -3.575 452 HA HIS 52 HA HIS 52 -3.186 0.685 -3.597 453 HB2 HIS 52 HB2 HIS 52 -2.726 -0.386 -5.893 454 HB3 HIS 52 HB3 HIS 52 -3.904 -1.611 -5.440 455 HD1 HIS 52 HD1 HIS 52 -4.229 2.230 -4.836 456 HD2 HIS 52 HD2 HIS 52 -5.892 -0.933 -7.083 457 HE1 HIS 52 HE1 HIS 52 -6.131 3.206 -6.144 458 H LEU 53 HN LEU 53 -4.862 0.746 -2.089 459 HA LEU 53 HA LEU 53 -6.199 -1.787 -1.338 460 HB2 LEU 53 HB2 LEU 53 -5.842 0.750 0.279 461 HB3 LEU 53 HB3 LEU 53 -6.531 -0.759 0.830 462 HG LEU 53 HG LEU 53 -4.533 -0.445 1.846 463 HD11 LEU 53 HD11 LEU 53 -3.795 -2.461 -0.248 464 HD12 LEU 53 HD12 LEU 53 -4.794 -2.749 1.203 465 HD13 LEU 53 HD13 LEU 53 -3.087 -2.310 1.366 466 HD21 LEU 53 HD21 LEU 53 -3.523 1.231 0.351 467 HD22 LEU 53 HD22 LEU 53 -2.803 -0.112 -0.565 468 HD23 LEU 53 HD23 LEU 53 -2.427 0.102 1.161 469 H THR 54 HN THR 54 -8.573 -1.271 -0.758 470 HA THR 54 HA THR 54 -9.605 1.054 -2.296 471 HB THR 54 HB THR 54 -10.963 -1.599 -1.870 472 HG1 THR 54 HG1 THR 54 -10.623 -1.731 -4.208 473 HG21 THR 54 HG21 THR 54 -12.365 0.540 -2.341 474 HG22 THR 54 HG22 THR 54 -12.746 -0.998 -3.066 475 HG23 THR 54 HG23 THR 54 -11.864 0.275 -3.998 476 H LEU 55 HN LEU 55 -10.266 2.521 -0.886 477 HA LEU 55 HA LEU 55 -11.494 1.863 1.722 478 HB2 LEU 55 HB2 LEU 55 -11.132 4.436 0.168 479 HB3 LEU 55 HB3 LEU 55 -12.267 4.349 1.451 480 HG LEU 55 HG LEU 55 -10.544 5.381 2.390 481 HD11 LEU 55 HD11 LEU 55 -10.068 2.614 3.338 482 HD12 LEU 55 HD12 LEU 55 -11.458 3.674 3.768 483 HD13 LEU 55 HD13 LEU 55 -9.792 4.147 4.198 484 HD21 LEU 55 HD21 LEU 55 -8.230 3.700 2.307 485 HD22 LEU 55 HD22 LEU 55 -8.438 5.363 1.827 486 HD23 LEU 55 HD23 LEU 55 -8.767 4.087 0.662 487 H ARG 56 HN ARG 56 -13.713 2.348 2.199 488 HA ARG 56 HA ARG 56 -15.648 2.748 -0.040 489 HB2 ARG 56 HB2 ARG 56 -15.776 0.439 0.934 490 HB3 ARG 56 HB3 ARG 56 -15.982 1.178 2.537 491 HG2 ARG 56 HG2 ARG 56 -18.117 2.165 1.855 492 HG3 ARG 56 HG3 ARG 56 -17.971 1.438 0.255 493 HD2 ARG 56 HD2 ARG 56 -17.983 -0.151 2.861 494 HD3 ARG 56 HD3 ARG 56 -19.428 0.206 1.909 495 HE ARG 56 HE ARG 56 -17.664 -0.978 0.100 496 HH11 ARG 56 HH11 ARG 56 -19.518 -1.958 2.929 497 HH12 ARG 56 HH12 ARG 56 -19.777 -3.584 2.383 498 HH21 ARG 56 HH21 ARG 56 -17.789 -3.052 -0.564 499 HH22 ARG 56 HH22 ARG 56 -18.585 -4.292 0.347 500 H GLU 57 HN GLU 57 -16.827 4.630 0.302 501 HA GLU 57 HA GLU 57 -16.905 5.784 3.040 502 HB2 GLU 57 HB2 GLU 57 -15.264 7.083 1.819 503 HB3 GLU 57 HB3 GLU 57 -16.347 7.310 0.454 504 HG2 GLU 57 HG2 GLU 57 -17.188 8.202 3.237 505 HG3 GLU 57 HG3 GLU 57 -16.028 9.162 2.329 506 H GLY 58 HN GLY 58 -18.962 5.423 3.536 507 HA2 GLY 58 HA1 GLY 58 -21.236 5.235 3.431 508 HA3 GLY 58 HA2 GLY 58 -21.173 6.481 2.164 509 H SER 59 HN SER 59 -21.323 5.904 0.014 510 HA SER 59 HA SER 59 -21.595 3.046 -0.642 511 HB2 SER 59 HB2 SER 59 -23.824 4.384 -0.255 512 HB3 SER 59 HB3 SER 59 -23.482 5.086 -1.848 513 HG SER 59 HG SER 59 -23.439 2.304 -1.270 514 H LYS 60 HN LYS 60 -19.493 5.291 -1.027 515 HA LYS 60 HA LYS 60 -19.064 4.716 -3.927 516 HB2 LYS 60 HB2 LYS 60 -18.846 7.090 -3.255 517 HB3 LYS 60 HB3 LYS 60 -17.610 6.674 -2.081 518 HG2 LYS 60 HG2 LYS 60 -16.033 6.563 -3.680 519 HG3 LYS 60 HG3 LYS 60 -17.051 5.695 -4.819 520 HD2 LYS 60 HD2 LYS 60 -16.487 7.718 -5.859 521 HD3 LYS 60 HD3 LYS 60 -18.184 7.888 -5.399 522 HE2 LYS 60 HE2 LYS 60 -17.546 9.316 -3.503 523 HE3 LYS 60 HE3 LYS 60 -15.838 8.925 -3.755 524 HZ1 LYS 60 HZ1 LYS 60 -17.508 10.702 -5.370 525 HZ2 LYS 60 HZ2 LYS 60 -16.154 10.008 -6.037 526 HZ3 LYS 60 HZ3 LYS 60 -16.017 10.932 -4.718 527 H GLU 61 HN GLU 61 -16.980 3.780 -4.406 528 HA GLU 61 HA GLU 61 -15.280 2.847 -2.276 529 HB2 GLU 61 HB2 GLU 61 -16.602 0.928 -4.214 530 HB3 GLU 61 HB3 GLU 61 -14.880 0.721 -3.845 531 HG2 GLU 61 HG2 GLU 61 -15.342 0.606 -1.469 532 HG3 GLU 61 HG3 GLU 61 -17.032 0.941 -1.741 533 H PHE 62 HN PHE 62 -13.158 2.946 -3.010 534 HA PHE 62 HA PHE 62 -12.532 4.051 -5.648 535 HB2 PHE 62 HB2 PHE 62 -11.629 6.133 -4.694 536 HB3 PHE 62 HB3 PHE 62 -13.365 6.020 -4.551 537 HD1 PHE 62 HD1 PHE 62 -14.323 5.199 -2.208 538 HD2 PHE 62 HD2 PHE 62 -10.357 6.809 -2.763 539 HE1 PHE 62 HE1 PHE 62 -14.285 5.888 0.129 540 HE2 PHE 62 HE2 PHE 62 -10.337 7.512 -0.387 541 HZ PHE 62 HZ PHE 62 -12.318 7.089 1.066 542 H GLY 63 HN GLY 63 -10.021 4.345 -5.696 543 HA2 GLY 63 HA1 GLY 63 -8.754 2.360 -3.885 544 HA3 GLY 63 HA2 GLY 63 -8.248 2.837 -5.498 545 H VAL 64 HN VAL 64 -6.814 2.822 -2.873 546 HA VAL 64 HA VAL 64 -5.610 5.558 -3.179 547 HB VAL 64 HB VAL 64 -4.963 5.317 -0.771 548 HG11 VAL 64 HG11 VAL 64 -7.765 5.867 -1.687 549 HG12 VAL 64 HG12 VAL 64 -7.328 5.975 0.023 550 HG13 VAL 64 HG13 VAL 64 -6.452 6.921 -1.168 551 HG21 VAL 64 HG21 VAL 64 -7.166 3.255 -0.675 552 HG22 VAL 64 HG22 VAL 64 -5.429 2.921 -0.464 553 HG23 VAL 64 HG23 VAL 64 -6.269 3.947 0.710 554 H PHE 65 HN PHE 65 -3.370 5.704 -2.706 555 HA PHE 65 HA PHE 65 -1.918 3.095 -2.752 556 HB2 PHE 65 HB2 PHE 65 -1.044 5.672 -4.080 557 HB3 PHE 65 HB3 PHE 65 0.021 4.317 -3.784 558 HD1 PHE 65 HD2 PHE 65 -0.242 2.191 -4.995 559 HD2 PHE 65 HD1 PHE 65 -2.739 5.612 -5.841 560 HE1 PHE 65 HE2 PHE 65 -0.955 1.150 -7.141 561 HE2 PHE 65 HE1 PHE 65 -3.397 4.572 -7.994 562 HZ PHE 65 HZ PHE 65 -2.555 2.330 -8.613 563 H VAL 66 HN VAL 66 0.196 3.173 -1.745 564 HA VAL 66 HA VAL 66 0.427 5.093 0.497 565 HB VAL 66 HB VAL 66 0.799 2.082 0.801 566 HG11 VAL 66 HG11 VAL 66 0.662 2.985 3.300 567 HG12 VAL 66 HG12 VAL 66 2.185 3.075 2.378 568 HG13 VAL 66 HG13 VAL 66 1.172 4.508 2.567 569 HG21 VAL 66 HG21 VAL 66 -1.212 2.067 2.190 570 HG22 VAL 66 HG22 VAL 66 -1.514 3.767 1.827 571 HG23 VAL 66 HG23 VAL 66 -1.608 2.553 0.546 572 H THR 67 HN THR 67 2.265 6.111 0.125 573 HA THR 67 HA THR 67 4.345 5.014 -1.612 574 HB THR 67 HB THR 67 4.099 7.667 -0.161 575 HG1 THR 67 HG1 THR 67 2.821 8.276 -1.641 576 HG21 THR 67 HG21 THR 67 5.678 8.485 -1.837 577 HG22 THR 67 HG22 THR 67 5.746 6.885 -2.609 578 HG23 THR 67 HG23 THR 67 6.379 7.103 -0.972 579 H ILE 68 HN ILE 68 5.911 3.779 -0.698 580 HA ILE 68 HA ILE 68 6.837 4.400 2.079 581 HB ILE 68 HB ILE 68 6.460 1.664 0.808 582 HG12 ILE 68 HG12 ILE 68 4.954 2.935 3.142 583 HG13 ILE 68 HG13 ILE 68 4.307 2.634 1.528 584 HG21 ILE 68 HG21 ILE 68 7.307 0.762 2.941 585 HG22 ILE 68 HG22 ILE 68 8.479 1.931 2.345 586 HG23 ILE 68 HG23 ILE 68 7.371 2.391 3.643 587 HD11 ILE 68 HD11 ILE 68 4.682 0.176 1.860 588 HD12 ILE 68 HD12 ILE 68 5.084 0.531 3.565 589 HD13 ILE 68 HD13 ILE 68 3.478 0.904 2.936 590 H SER 69 HN SER 69 8.636 5.531 1.426 591 HA SER 69 HA SER 69 10.545 4.434 -0.587 592 HB2 SER 69 HB2 SER 69 10.659 6.823 1.353 593 HB3 SER 69 HB3 SER 69 12.020 6.275 0.371 594 HG SER 69 HG SER 69 11.038 7.961 -0.601 595 H PHE 70 HN PHE 70 11.683 2.634 0.201 596 HA PHE 70 HA PHE 70 12.588 2.861 3.008 597 HB2 PHE 70 HB2 PHE 70 12.129 0.619 3.528 598 HB3 PHE 70 HB3 PHE 70 10.647 1.269 2.890 599 HD1 PHE 70 HD2 PHE 70 10.037 0.730 0.444 600 HD2 PHE 70 HD1 PHE 70 13.282 -1.221 2.508 601 HE1 PHE 70 HE2 PHE 70 9.997 -1.070 -1.202 602 HE2 PHE 70 HE1 PHE 70 13.083 -3.171 0.958 603 HZ PHE 70 HZ PHE 70 11.428 -3.122 -0.885 604 H ASP 71 HN ASP 71 14.308 1.173 3.407 605 HA ASP 71 HA ASP 71 16.416 1.830 1.446 606 HB2 ASP 71 HB2 ASP 71 16.687 2.665 3.682 607 HB3 ASP 71 HB3 ASP 71 16.212 1.120 4.386 608 HA PRO 72 HA PRO 72 16.686 -2.597 0.667 609 HB2 PRO 72 HB2 PRO 72 18.738 -2.694 -1.085 610 HB3 PRO 72 HB3 PRO 72 17.199 -1.868 -1.477 611 HG2 PRO 72 HG2 PRO 72 19.771 -0.612 -0.459 612 HG3 PRO 72 HG3 PRO 72 18.775 -0.112 -1.866 613 HD2 PRO 72 HD2 PRO 72 18.514 1.059 0.606 614 HD3 PRO 72 HD3 PRO 72 17.122 0.817 -0.490 615 H TYR 73 HN TYR 73 19.131 -0.852 2.438 616 HA TYR 73 HA TYR 73 21.117 -2.942 2.525 617 HB2 TYR 73 HB2 TYR 73 20.786 -0.517 4.307 618 HB3 TYR 73 HB3 TYR 73 22.083 -1.668 4.409 619 HD1 TYR 73 HD2 TYR 73 20.463 0.361 1.683 620 HD2 TYR 73 HD1 TYR 73 24.108 -0.886 3.571 621 HE1 TYR 73 HE2 TYR 73 21.711 1.878 0.239 622 HE2 TYR 73 HE1 TYR 73 25.393 0.664 2.143 623 HH TYR 73 HH TYR 73 25.234 2.410 0.622 624 H SER 74 HN SER 74 18.485 -1.699 4.600 625 HA SER 74 HA SER 74 18.711 -4.031 6.443 626 HB2 SER 74 HB2 SER 74 20.165 -2.067 7.102 627 HB3 SER 74 HB3 SER 74 18.699 -1.079 7.206 628 HG SER 74 HG SER 74 19.319 -3.410 8.720 629 H GLN 75 HN GLN 75 16.612 -2.047 4.619 630 HA GLN 75 HA GLN 75 14.423 -1.427 4.769 631 HB2 GLN 75 HB2 GLN 75 14.260 -4.070 6.285 632 HB3 GLN 75 HB3 GLN 75 12.883 -3.009 6.162 633 HG2 GLN 75 HG2 GLN 75 12.545 -4.463 4.463 634 HG3 GLN 75 HG3 GLN 75 13.145 -3.049 3.641 635 HE21 GLN 75 HE21 GLN 75 15.360 -3.014 2.740 636 HE22 GLN 75 HE22 GLN 75 16.171 -4.553 2.511 637 H LYS 76 HN LYS 76 16.076 0.090 6.095 638 HA LYS 76 HA LYS 76 14.406 1.126 8.313 639 HB2 LYS 76 HB2 LYS 76 16.491 2.367 6.457 640 HB3 LYS 76 HB3 LYS 76 15.425 3.292 7.514 641 HG2 LYS 76 HG2 LYS 76 16.330 1.983 9.489 642 HG3 LYS 76 HG3 LYS 76 17.529 1.265 8.380 643 HD2 LYS 76 HD2 LYS 76 18.301 3.523 7.759 644 HD3 LYS 76 HD3 LYS 76 17.126 4.244 8.877 645 HE2 LYS 76 HE2 LYS 76 19.247 2.292 9.808 646 HE3 LYS 76 HE3 LYS 76 19.593 4.013 9.620 647 HZ1 LYS 76 HZ1 LYS 76 18.991 3.546 11.835 648 HZ2 LYS 76 HZ2 LYS 76 17.553 2.877 11.422 649 HZ3 LYS 76 HZ3 LYS 76 17.827 4.501 11.184 650 H VAL 77 HN VAL 77 12.660 2.460 7.814 651 HA VAL 77 HA VAL 77 12.004 2.745 4.946 652 HB VAL 77 HB VAL 77 10.291 1.788 6.140 653 HG11 VAL 77 HG11 VAL 77 10.174 4.100 8.045 654 HG12 VAL 77 HG12 VAL 77 9.021 2.723 7.924 655 HG13 VAL 77 HG13 VAL 77 10.697 2.439 8.420 656 HG21 VAL 77 HG21 VAL 77 8.441 3.243 5.610 657 HG22 VAL 77 HG22 VAL 77 9.534 4.647 5.517 658 HG23 VAL 77 HG23 VAL 77 9.670 3.304 4.354 659 H ASN 78 HN ASN 78 11.963 4.744 4.107 660 HA ASN 78 HA ASN 78 13.849 6.584 5.482 661 HB2 ASN 78 HB2 ASN 78 13.291 6.014 2.545 662 HB3 ASN 78 HB3 ASN 78 14.337 7.293 3.130 663 HD21 ASN 78 HD21 ASN 78 15.218 4.908 1.463 664 HD22 ASN 78 HD22 ASN 78 16.250 3.989 2.540 665 H LYS 79 HN LYS 79 10.832 6.489 3.640 666 HA LYS 79 HA LYS 79 9.762 8.433 5.408 667 HB2 LYS 79 HB2 LYS 79 10.691 9.499 2.812 668 HB3 LYS 79 HB3 LYS 79 8.950 9.704 2.999 669 HG2 LYS 79 HG2 LYS 79 9.263 10.752 5.206 670 HG3 LYS 79 HG3 LYS 79 11.017 10.616 5.051 671 HD2 LYS 79 HD2 LYS 79 9.207 12.177 3.173 672 HD3 LYS 79 HD3 LYS 79 10.115 12.869 4.517 673 HE2 LYS 79 HE2 LYS 79 11.910 13.136 3.243 674 HE3 LYS 79 HE3 LYS 79 12.033 11.391 3.013 675 HZ1 LYS 79 HZ1 LYS 79 10.812 11.572 0.995 676 HZ2 LYS 79 HZ2 LYS 79 11.861 12.840 0.990 677 HZ3 LYS 79 HZ3 LYS 79 10.274 13.080 1.347 678 H ILE 80 HN ILE 80 7.416 8.530 5.241 679 HA ILE 80 HA ILE 80 6.187 6.652 3.309 680 HB ILE 80 HB ILE 80 5.328 6.996 6.205 681 HG12 ILE 80 HG12 ILE 80 6.682 4.635 4.838 682 HG13 ILE 80 HG13 ILE 80 7.383 5.672 6.089 683 HG21 ILE 80 HG21 ILE 80 3.424 6.591 4.651 684 HG22 ILE 80 HG22 ILE 80 4.236 5.132 4.049 685 HG23 ILE 80 HG23 ILE 80 3.670 5.238 5.731 686 HD11 ILE 80 HD11 ILE 80 6.745 3.668 7.179 687 HD12 ILE 80 HD12 ILE 80 5.563 4.896 7.666 688 HD13 ILE 80 HD13 ILE 80 5.141 3.668 6.439 689 H ALA 81 HN ALA 81 4.466 7.511 2.270 690 HA ALA 81 HA ALA 81 3.082 9.899 3.274 691 HB1 ALA 81 HB1 ALA 81 3.201 11.015 1.096 692 HB2 ALA 81 HB2 ALA 81 4.848 10.717 1.691 693 HB3 ALA 81 HB3 ALA 81 4.170 9.698 0.423 694 H ILE 82 HN ILE 82 1.056 10.191 1.789 695 HA ILE 82 HA ILE 82 -0.083 7.545 1.045 696 HB ILE 82 HB ILE 82 -1.029 9.612 3.034 697 HG12 ILE 82 HG12 ILE 82 0.326 7.603 3.766 698 HG13 ILE 82 HG13 ILE 82 -1.225 7.778 4.550 699 HG21 ILE 82 HG21 ILE 82 -3.008 9.424 1.748 700 HG22 ILE 82 HG22 ILE 82 -2.820 7.670 1.581 701 HG23 ILE 82 HG23 ILE 82 -3.231 8.370 3.150 702 HD11 ILE 82 HD11 ILE 82 -0.981 5.964 2.144 703 HD12 ILE 82 HD12 ILE 82 -0.507 5.426 3.748 704 HD13 ILE 82 HD13 ILE 82 -2.174 5.933 3.461 705 H LEU 83 HN LEU 83 -1.898 7.715 -0.524 706 HA LEU 83 HA LEU 83 -2.049 10.232 -2.050 707 HB2 LEU 83 HB2 LEU 83 -0.120 8.839 -2.891 708 HB3 LEU 83 HB3 LEU 83 -1.185 7.487 -3.050 709 HG LEU 83 HG LEU 83 -0.479 8.651 -5.134 710 HD11 LEU 83 HD11 LEU 83 -3.367 8.935 -5.440 711 HD12 LEU 83 HD12 LEU 83 -2.914 7.433 -4.622 712 HD13 LEU 83 HD13 LEU 83 -2.234 7.842 -6.205 713 HD21 LEU 83 HD21 LEU 83 -1.484 10.732 -5.841 714 HD22 LEU 83 HD22 LEU 83 -0.622 10.979 -4.315 715 HD23 LEU 83 HD23 LEU 83 -2.395 10.877 -4.331 716 H GLU 84 HN GLU 84 -4.071 10.174 -3.405 717 HA GLU 84 HA GLU 84 -5.843 7.904 -2.848 718 HB2 GLU 84 HB2 GLU 84 -6.187 10.071 -1.313 719 HB3 GLU 84 HB3 GLU 84 -6.879 10.744 -2.793 720 HG2 GLU 84 HG2 GLU 84 -8.369 8.534 -2.746 721 HG3 GLU 84 HG3 GLU 84 -7.856 8.459 -1.083 722 H GLU 85 HN GLU 85 -7.252 7.444 -4.484 723 HA GLU 85 HA GLU 85 -6.599 8.521 -7.089 724 HB2 GLU 85 HB2 GLU 85 -7.334 6.151 -6.624 725 HB3 GLU 85 HB3 GLU 85 -8.938 6.742 -6.212 726 HG2 GLU 85 HG2 GLU 85 -8.553 5.757 -8.541 727 HG3 GLU 85 HG3 GLU 85 -9.403 7.303 -8.416 728 H TYR 86 HN TYR 86 -8.203 9.745 -8.384 729 HA TYR 86 HA TYR 86 -10.507 11.016 -7.137 730 HB2 TYR 86 HB2 TYR 86 -9.524 13.325 -7.251 731 HB3 TYR 86 HB3 TYR 86 -9.033 12.210 -5.981 732 HD1 TYR 86 HD1 TYR 86 -7.512 12.297 -9.418 733 HD2 TYR 86 HD2 TYR 86 -7.050 13.215 -5.215 734 HE1 TYR 86 HE1 TYR 86 -5.184 12.731 -9.810 735 HE2 TYR 86 HE2 TYR 86 -4.676 13.765 -5.626 736 HH TYR 86 HH TYR 86 -2.973 13.035 -8.530 737 H GLN 87 HN GLN 87 -9.015 9.997 -9.570 738 HA GLN 87 HA GLN 87 -9.477 9.557 -11.682 739 HB2 GLN 87 HB2 GLN 87 -11.817 11.522 -11.384 740 HB3 GLN 87 HB3 GLN 87 -11.470 10.495 -12.740 741 HG2 GLN 87 HG2 GLN 87 -13.247 9.524 -11.493 742 HG3 GLN 87 HG3 GLN 87 -11.837 8.487 -11.499 743 HE21 GLN 87 HE21 GLN 87 -11.119 7.708 -9.575 744 HE22 GLN 87 HE22 GLN 87 -11.699 8.196 -7.994 Start of MODEL 35 1 H1 GLY 1 HN GLY 1 -19.472 -13.606 1.229 2 HA2 GLY 1 HA1 GLY 1 -18.219 -11.789 3.215 3 HA3 GLY 1 HA2 GLY 1 -18.900 -13.376 3.637 4 H GLU 2 HN GLU 2 -16.280 -11.702 1.938 5 HA GLU 2 HA GLU 2 -14.493 -13.916 2.486 6 HB2 GLU 2 HB2 GLU 2 -15.219 -14.564 0.287 7 HB3 GLU 2 HB3 GLU 2 -15.081 -12.921 -0.340 8 HG2 GLU 2 HG2 GLU 2 -12.766 -13.028 -0.540 9 HG3 GLU 2 HG3 GLU 2 -12.591 -14.262 0.708 10 H GLU 3 HN GLU 3 -12.207 -13.038 2.288 11 HA GLU 3 HA GLU 3 -12.101 -10.214 3.123 12 HB2 GLU 3 HB2 GLU 3 -10.122 -12.489 2.971 13 HB3 GLU 3 HB3 GLU 3 -9.544 -10.824 3.128 14 HG2 GLU 3 HG2 GLU 3 -10.201 -10.601 5.267 15 HG3 GLU 3 HG3 GLU 3 -11.736 -11.430 5.016 16 H THR 4 HN THR 4 -10.118 -11.975 0.619 17 HA THR 4 HA THR 4 -10.506 -9.753 -1.262 18 HB THR 4 HB THR 4 -7.778 -9.984 -1.319 19 HG1 THR 4 HG1 THR 4 -6.993 -10.566 0.507 20 HG21 THR 4 HG21 THR 4 -7.681 -7.856 -0.174 21 HG22 THR 4 HG22 THR 4 -9.279 -8.101 0.544 22 HG23 THR 4 HG23 THR 4 -9.113 -7.884 -1.214 23 HA PRO 5 HA PRO 5 -10.180 -13.041 -4.128 24 HB2 PRO 5 HB2 PRO 5 -9.197 -11.945 -6.407 25 HB3 PRO 5 HB3 PRO 5 -10.725 -11.385 -5.677 26 HG2 PRO 5 HG2 PRO 5 -7.955 -10.164 -5.263 27 HG3 PRO 5 HG3 PRO 5 -9.446 -9.330 -5.817 28 HD2 PRO 5 HD2 PRO 5 -8.703 -9.329 -3.222 29 HD3 PRO 5 HD3 PRO 5 -10.426 -9.503 -3.663 30 H LEU 6 HN LEU 6 -8.527 -14.062 -2.569 31 HA LEU 6 HA LEU 6 -6.033 -14.716 -3.923 32 HB2 LEU 6 HB2 LEU 6 -4.862 -14.315 -1.674 33 HB3 LEU 6 HB3 LEU 6 -5.078 -13.033 -2.835 34 HG LEU 6 HG LEU 6 -6.985 -12.154 -1.462 35 HD11 LEU 6 HD11 LEU 6 -6.155 -14.307 0.526 36 HD12 LEU 6 HD12 LEU 6 -7.721 -14.180 -0.284 37 HD13 LEU 6 HD13 LEU 6 -7.237 -12.951 0.886 38 HD21 LEU 6 HD21 LEU 6 -4.259 -12.462 -0.185 39 HD22 LEU 6 HD22 LEU 6 -5.479 -11.327 0.380 40 HD23 LEU 6 HD23 LEU 6 -4.830 -11.169 -1.264 41 H VAL 7 HN VAL 7 -8.245 -16.160 -3.752 42 HA VAL 7 HA VAL 7 -8.578 -18.143 -1.973 43 HB VAL 7 HB VAL 7 -9.785 -17.807 -4.049 44 HG11 VAL 7 HG11 VAL 7 -8.967 -18.561 -6.228 45 HG12 VAL 7 HG12 VAL 7 -7.960 -17.259 -5.607 46 HG13 VAL 7 HG13 VAL 7 -7.381 -18.942 -5.541 47 HG21 VAL 7 HG21 VAL 7 -10.199 -20.065 -4.700 48 HG22 VAL 7 HG22 VAL 7 -8.628 -20.613 -4.072 49 HG23 VAL 7 HG23 VAL 7 -9.888 -20.016 -2.956 50 H THR 8 HN THR 8 -5.592 -17.575 -3.677 51 HA THR 8 HA THR 8 -4.325 -19.425 -1.952 52 HB THR 8 HB THR 8 -5.150 -20.991 -3.714 53 HG1 THR 8 HG1 THR 8 -3.552 -21.657 -2.545 54 HG21 THR 8 HG21 THR 8 -4.246 -21.158 -5.882 55 HG22 THR 8 HG22 THR 8 -3.103 -19.835 -5.613 56 HG23 THR 8 HG23 THR 8 -4.832 -19.490 -5.699 57 H ALA 9 HN ALA 9 -3.833 -17.029 -1.522 58 HA ALA 9 HA ALA 9 -1.137 -16.715 -2.532 59 HB1 ALA 9 HB1 ALA 9 -1.312 -14.533 -3.402 60 HB2 ALA 9 HB2 ALA 9 -2.419 -15.583 -4.308 61 HB3 ALA 9 HB3 ALA 9 -3.066 -14.441 -3.109 62 H ARG 10 HN ARG 10 -0.921 -17.331 -0.387 63 HA ARG 10 HA ARG 10 -1.662 -15.389 1.725 64 HB2 ARG 10 HB2 ARG 10 -0.875 -17.326 3.199 65 HB3 ARG 10 HB3 ARG 10 -2.435 -17.437 2.406 66 HG2 ARG 10 HG2 ARG 10 -1.526 -18.943 0.717 67 HG3 ARG 10 HG3 ARG 10 0.113 -18.765 1.385 68 HD2 ARG 10 HD2 ARG 10 -0.460 -19.956 3.364 69 HD3 ARG 10 HD3 ARG 10 -2.192 -19.722 3.105 70 HE ARG 10 HE ARG 10 -2.296 -21.594 1.886 71 HH11 ARG 10 HH11 ARG 10 1.162 -20.679 1.934 72 HH12 ARG 10 HH12 ARG 10 1.678 -22.090 1.089 73 HH21 ARG 10 HH21 ARG 10 -1.637 -23.337 0.635 74 HH22 ARG 10 HH22 ARG 10 0.038 -23.553 0.175 75 H HIS 11 HN HIS 11 1.155 -16.359 -0.042 76 HA HIS 11 HA HIS 11 2.929 -15.251 2.044 77 HB2 HIS 11 HB2 HIS 11 3.490 -17.146 0.515 78 HB3 HIS 11 HB3 HIS 11 3.543 -16.009 -0.829 79 HD1 HIS 11 HD1 HIS 11 5.347 -13.688 0.159 80 HD2 HIS 11 HD2 HIS 11 5.805 -17.689 1.349 81 HE1 HIS 11 HE1 HIS 11 7.781 -13.945 0.829 82 H MET 12 HN MET 12 3.184 -13.109 2.277 83 HA MET 12 HA MET 12 3.000 -11.334 -0.101 84 HB2 MET 12 HB2 MET 12 1.713 -10.810 2.586 85 HB3 MET 12 HB3 MET 12 1.832 -9.638 1.242 86 HG2 MET 12 HG2 MET 12 0.647 -11.780 0.028 87 HG3 MET 12 HG3 MET 12 -0.022 -11.904 1.645 88 HE1 MET 12 HE1 MET 12 -1.079 -9.503 2.798 89 HE2 MET 12 HE2 MET 12 -0.229 -8.208 1.933 90 HE3 MET 12 HE3 MET 12 -1.961 -8.317 1.808 91 H SER 13 HN SER 13 3.863 -9.049 0.634 92 HA SER 13 HA SER 13 6.693 -9.727 1.032 93 HB2 SER 13 HB2 SER 13 5.266 -8.096 -0.738 94 HB3 SER 13 HB3 SER 13 5.923 -6.914 0.391 95 HG SER 13 HG SER 13 7.291 -8.883 -1.121 96 H LYS 14 HN LYS 14 8.144 -8.387 2.386 97 HA LYS 14 HA LYS 14 7.450 -7.949 4.969 98 HB2 LYS 14 HB2 LYS 14 9.769 -7.857 4.257 99 HB3 LYS 14 HB3 LYS 14 9.536 -6.337 3.381 100 HG2 LYS 14 HG2 LYS 14 10.691 -5.963 5.446 101 HG3 LYS 14 HG3 LYS 14 9.153 -5.121 5.454 102 HD2 LYS 14 HD2 LYS 14 8.144 -6.809 6.881 103 HD3 LYS 14 HD3 LYS 14 9.557 -7.849 6.788 104 HE2 LYS 14 HE2 LYS 14 9.815 -5.008 7.851 105 HE3 LYS 14 HE3 LYS 14 9.055 -6.253 8.831 106 HZ1 LYS 14 HZ1 LYS 14 11.853 -6.068 8.036 107 HZ2 LYS 14 HZ2 LYS 14 11.192 -7.588 8.265 108 HZ3 LYS 14 HZ3 LYS 14 11.210 -6.456 9.449 109 H TRP 15 HN TRP 15 7.191 -5.428 2.520 110 HA TRP 15 HA TRP 15 6.234 -3.498 4.465 111 HB2 TRP 15 HB2 TRP 15 6.468 -3.242 1.448 112 HB3 TRP 15 HB3 TRP 15 6.257 -1.927 2.598 113 HD1 TRP 15 HD1 TRP 15 8.886 -4.273 1.168 114 HE1 TRP 15 HE1 TRP 15 11.186 -3.704 2.074 115 HE3 TRP 15 HE3 TRP 15 7.510 -0.799 4.682 116 HZ2 TRP 15 HZ2 TRP 15 12.284 -2.004 4.165 117 HZ3 TRP 15 HZ3 TRP 15 9.187 0.213 6.159 118 HH2 TRP 15 HH2 TRP 15 11.614 -0.394 5.910 119 H GLU 16 HN GLU 16 4.493 -6.017 3.174 120 HA GLU 16 HA GLU 16 2.349 -4.633 1.913 121 HB2 GLU 16 HB2 GLU 16 1.213 -6.742 1.893 122 HB3 GLU 16 HB3 GLU 16 2.893 -6.986 1.500 123 HG2 GLU 16 HG2 GLU 16 2.833 -8.658 2.950 124 HG3 GLU 16 HG3 GLU 16 3.064 -7.434 4.158 125 H GLU 17 HN GLU 17 2.529 -6.138 5.191 126 HA GLU 17 HA GLU 17 0.079 -5.340 5.824 127 HB2 GLU 17 HB2 GLU 17 2.248 -6.750 7.050 128 HB3 GLU 17 HB3 GLU 17 1.861 -5.462 8.195 129 HG2 GLU 17 HG2 GLU 17 -0.624 -6.376 7.347 130 HG3 GLU 17 HG3 GLU 17 0.313 -7.866 7.408 131 H ILE 18 HN ILE 18 3.010 -3.523 6.068 132 HA ILE 18 HA ILE 18 2.190 -1.311 7.692 133 HB ILE 18 HB ILE 18 4.236 -1.473 5.430 134 HG12 ILE 18 HG12 ILE 18 4.676 -1.707 8.430 135 HG13 ILE 18 HG13 ILE 18 4.611 -3.097 7.352 136 HG21 ILE 18 HG21 ILE 18 3.591 0.874 5.977 137 HG22 ILE 18 HG22 ILE 18 3.979 0.575 7.683 138 HG23 ILE 18 HG23 ILE 18 5.252 0.537 6.445 139 HD11 ILE 18 HD11 ILE 18 6.581 -2.240 6.127 140 HD12 ILE 18 HD12 ILE 18 6.736 -0.934 7.328 141 HD13 ILE 18 HD13 ILE 18 6.905 -2.627 7.813 142 H ALA 19 HN ALA 19 2.163 -1.927 4.119 143 HA ALA 19 HA ALA 19 0.950 0.540 3.477 144 HB1 ALA 19 HB1 ALA 19 0.458 -0.542 1.294 145 HB2 ALA 19 HB2 ALA 19 2.130 -0.816 1.828 146 HB3 ALA 19 HB3 ALA 19 0.930 -2.112 1.969 147 H VAL 20 HN VAL 20 -0.592 -2.632 4.377 148 HA VAL 20 HA VAL 20 -3.213 -1.775 3.627 149 HB VAL 20 HB VAL 20 -2.278 -3.714 5.783 150 HG11 VAL 20 HG11 VAL 20 -5.082 -3.541 4.617 151 HG12 VAL 20 HG12 VAL 20 -4.500 -4.738 5.772 152 HG13 VAL 20 HG13 VAL 20 -4.630 -3.037 6.240 153 HG21 VAL 20 HG21 VAL 20 -2.948 -5.511 4.163 154 HG22 VAL 20 HG22 VAL 20 -3.201 -4.254 2.931 155 HG23 VAL 20 HG23 VAL 20 -1.592 -4.552 3.627 156 H LYS 21 HN LYS 21 -1.364 -1.519 6.839 157 HA LYS 21 HA LYS 21 -3.718 -0.555 8.088 158 HB2 LYS 21 HB2 LYS 21 -2.193 0.209 9.946 159 HB3 LYS 21 HB3 LYS 21 -2.220 -1.516 9.542 160 HG2 LYS 21 HG2 LYS 21 -0.238 -1.266 8.207 161 HG3 LYS 21 HG3 LYS 21 -0.130 0.413 8.448 162 HD2 LYS 21 HD2 LYS 21 1.441 -0.690 9.899 163 HD3 LYS 21 HD3 LYS 21 0.139 -0.095 10.938 164 HE2 LYS 21 HE2 LYS 21 0.609 -2.336 11.688 165 HE3 LYS 21 HE3 LYS 21 -0.899 -2.457 10.767 166 HZ1 LYS 21 HZ1 LYS 21 1.792 -3.216 9.901 167 HZ2 LYS 21 HZ2 LYS 21 0.501 -3.126 8.855 168 HZ3 LYS 21 HZ3 LYS 21 0.485 -4.196 10.092 169 H GLU 22 HN GLU 22 -1.057 1.250 6.453 170 HA GLU 22 HA GLU 22 -1.930 3.812 7.359 171 HB2 GLU 22 HB2 GLU 22 -0.497 2.928 4.846 172 HB3 GLU 22 HB3 GLU 22 -0.951 4.611 5.208 173 HG2 GLU 22 HG2 GLU 22 0.509 3.274 7.379 174 HG3 GLU 22 HG3 GLU 22 1.444 3.521 5.916 175 H ALA 23 HN ALA 23 -2.774 2.047 4.346 176 HA ALA 23 HA ALA 23 -4.668 3.975 3.470 177 HB1 ALA 23 HB1 ALA 23 -4.068 1.089 2.769 178 HB2 ALA 23 HB2 ALA 23 -5.365 2.017 1.965 179 HB3 ALA 23 HB3 ALA 23 -3.676 2.566 1.875 180 H LYS 24 HN LYS 24 -5.087 1.345 5.818 181 HA LYS 24 HA LYS 24 -8.016 1.685 5.693 182 HB2 LYS 24 HB2 LYS 24 -8.271 -0.160 6.932 183 HB3 LYS 24 HB3 LYS 24 -6.777 -0.512 6.100 184 HG2 LYS 24 HG2 LYS 24 -5.940 -1.051 8.113 185 HG3 LYS 24 HG3 LYS 24 -5.831 0.680 8.382 186 HD2 LYS 24 HD2 LYS 24 -6.985 0.114 10.266 187 HD3 LYS 24 HD3 LYS 24 -8.370 0.397 9.180 188 HE2 LYS 24 HE2 LYS 24 -8.448 -2.025 8.662 189 HE3 LYS 24 HE3 LYS 24 -7.042 -2.310 9.699 190 HZ1 LYS 24 HZ1 LYS 24 -8.975 -2.839 10.921 191 HZ2 LYS 24 HZ2 LYS 24 -9.707 -1.406 10.545 192 HZ3 LYS 24 HZ3 LYS 24 -8.415 -1.444 11.562 193 H LYS 25 HN LYS 25 -5.332 2.955 7.643 194 HA LYS 25 HA LYS 25 -7.170 3.698 9.790 195 HB2 LYS 25 HB2 LYS 25 -5.340 4.133 11.128 196 HB3 LYS 25 HB3 LYS 25 -4.928 2.702 10.209 197 HG2 LYS 25 HG2 LYS 25 -3.606 4.360 8.684 198 HG3 LYS 25 HG3 LYS 25 -3.830 5.538 9.978 199 HD2 LYS 25 HD2 LYS 25 -2.656 4.063 11.573 200 HD3 LYS 25 HD3 LYS 25 -2.590 2.780 10.357 201 HE2 LYS 25 HE2 LYS 25 -0.485 3.609 10.037 202 HE3 LYS 25 HE3 LYS 25 -1.369 4.632 8.900 203 HZ1 LYS 25 HZ1 LYS 25 -0.052 6.028 10.040 204 HZ2 LYS 25 HZ2 LYS 25 -0.248 5.286 11.470 205 HZ3 LYS 25 HZ3 LYS 25 -1.489 6.225 10.897 206 H ARG 26 HN ARG 26 -5.111 5.432 7.430 207 HA ARG 26 HA ARG 26 -5.686 8.080 8.366 208 HB2 ARG 26 HB2 ARG 26 -3.748 7.495 7.039 209 HB3 ARG 26 HB3 ARG 26 -4.761 7.108 5.641 210 HG2 ARG 26 HG2 ARG 26 -5.311 9.362 5.250 211 HG3 ARG 26 HG3 ARG 26 -4.905 9.864 6.906 212 HD2 ARG 26 HD2 ARG 26 -2.540 9.572 6.481 213 HD3 ARG 26 HD3 ARG 26 -2.867 8.874 4.899 214 HE ARG 26 HE ARG 26 -3.496 10.952 4.022 215 HH11 ARG 26 HH11 ARG 26 -2.821 11.351 7.467 216 HH12 ARG 26 HH12 ARG 26 -2.465 13.039 7.389 217 HH21 ARG 26 HH21 ARG 26 -3.001 13.192 3.841 218 HH22 ARG 26 HH22 ARG 26 -2.801 14.129 5.303 219 H TYR 27 HN TYR 27 -8.026 6.058 7.446 220 HA TYR 27 HA TYR 27 -9.642 7.924 5.832 221 HB2 TYR 27 HB2 TYR 27 -8.989 5.005 5.207 222 HB3 TYR 27 HB3 TYR 27 -10.332 5.907 4.514 223 HD1 TYR 27 HD2 TYR 27 -9.962 7.778 2.967 224 HD2 TYR 27 HD1 TYR 27 -6.663 5.522 4.568 225 HE1 TYR 27 HE2 TYR 27 -8.481 8.874 1.387 226 HE2 TYR 27 HE1 TYR 27 -5.155 6.539 2.911 227 HH TYR 27 HH TYR 27 -6.256 8.629 0.354 228 HA PRO 28 HA PRO 28 -11.988 6.146 9.353 229 HB2 PRO 28 HB2 PRO 28 -12.751 8.472 10.510 230 HB3 PRO 28 HB3 PRO 28 -11.111 7.792 10.765 231 HG2 PRO 28 HG2 PRO 28 -11.975 10.021 8.922 232 HG3 PRO 28 HG3 PRO 28 -10.490 9.922 9.903 233 HD2 PRO 28 HD2 PRO 28 -10.587 9.318 7.224 234 HD3 PRO 28 HD3 PRO 28 -9.388 8.718 8.399 235 H LEU 29 HN LEU 29 -12.502 8.417 6.718 236 HA LEU 29 HA LEU 29 -15.428 7.932 6.712 237 HB2 LEU 29 HB2 LEU 29 -13.929 10.004 5.069 238 HB3 LEU 29 HB3 LEU 29 -15.641 9.800 5.325 239 HG LEU 29 HG LEU 29 -15.281 11.640 6.550 240 HD11 LEU 29 HD11 LEU 29 -15.313 11.307 8.893 241 HD12 LEU 29 HD12 LEU 29 -14.433 9.788 8.785 242 HD13 LEU 29 HD13 LEU 29 -16.109 9.895 8.170 243 HD21 LEU 29 HD21 LEU 29 -13.137 11.946 7.955 244 HD22 LEU 29 HD22 LEU 29 -13.092 12.153 6.195 245 HD23 LEU 29 HD23 LEU 29 -12.480 10.666 6.909 246 H ALA 30 HN ALA 30 -13.781 5.797 6.100 247 HA ALA 30 HA ALA 30 -14.992 4.985 3.851 248 HB1 ALA 30 HB1 ALA 30 -13.411 6.232 2.424 249 HB2 ALA 30 HB2 ALA 30 -12.037 5.498 3.260 250 HB3 ALA 30 HB3 ALA 30 -13.137 4.520 2.266 251 H GLN 31 HN GLN 31 -14.051 2.763 3.193 252 HA GLN 31 HA GLN 31 -12.485 1.435 5.342 253 HB2 GLN 31 HB2 GLN 31 -14.004 -0.243 5.620 254 HB3 GLN 31 HB3 GLN 31 -15.073 1.068 5.102 255 HG2 GLN 31 HG2 GLN 31 -14.577 0.066 2.683 256 HG3 GLN 31 HG3 GLN 31 -14.165 -1.395 3.579 257 HE21 GLN 31 HE21 GLN 31 -16.564 1.171 3.456 258 HE22 GLN 31 HE22 GLN 31 -18.018 0.151 3.381 259 H VAL 32 HN VAL 32 -11.301 -0.392 4.507 260 HA VAL 32 HA VAL 32 -10.642 -0.046 1.617 261 HB VAL 32 HB VAL 32 -8.789 0.229 3.138 262 HG11 VAL 32 HG11 VAL 32 -7.832 -1.667 4.403 263 HG12 VAL 32 HG12 VAL 32 -9.436 -1.259 5.007 264 HG13 VAL 32 HG13 VAL 32 -9.196 -2.679 3.970 265 HG21 VAL 32 HG21 VAL 32 -7.283 -1.073 1.840 266 HG22 VAL 32 HG22 VAL 32 -8.483 -2.345 1.564 267 HG23 VAL 32 HG23 VAL 32 -8.638 -0.734 0.809 268 H LEU 33 HN LEU 33 -11.178 -1.582 0.113 269 HA LEU 33 HA LEU 33 -12.464 -4.065 1.049 270 HB2 LEU 33 HB2 LEU 33 -12.372 -3.020 -1.787 271 HB3 LEU 33 HB3 LEU 33 -13.490 -4.135 -1.050 272 HG LEU 33 HG LEU 33 -14.230 -2.117 0.463 273 HD11 LEU 33 HD11 LEU 33 -12.599 -0.809 -1.734 274 HD12 LEU 33 HD12 LEU 33 -12.732 -0.352 -0.007 275 HD13 LEU 33 HD13 LEU 33 -14.020 0.004 -1.138 276 HD21 LEU 33 HD21 LEU 33 -15.617 -3.151 -1.314 277 HD22 LEU 33 HD22 LEU 33 -14.849 -2.079 -2.505 278 HD23 LEU 33 HD23 LEU 33 -15.858 -1.413 -1.201 279 H PHE 34 HN PHE 34 -9.389 -3.117 -0.121 280 HA PHE 34 HA PHE 34 -8.951 -5.667 -1.611 281 HB2 PHE 34 HB2 PHE 34 -9.215 -2.948 -2.550 282 HB3 PHE 34 HB3 PHE 34 -7.558 -3.406 -2.748 283 HD1 PHE 34 HD1 PHE 34 -7.082 -5.705 -3.998 284 HD2 PHE 34 HD2 PHE 34 -10.882 -3.649 -4.045 285 HE1 PHE 34 HE1 PHE 34 -7.715 -6.902 -6.071 286 HE2 PHE 34 HE2 PHE 34 -11.506 -4.849 -6.096 287 HZ PHE 34 HZ PHE 34 -9.890 -6.438 -7.160 288 H LYS 35 HN LYS 35 -6.646 -6.305 -1.832 289 HA LYS 35 HA LYS 35 -4.652 -4.889 -0.198 290 HB2 LYS 35 HB2 LYS 35 -5.398 -7.766 0.444 291 HB3 LYS 35 HB3 LYS 35 -4.028 -6.845 1.083 292 HG2 LYS 35 HG2 LYS 35 -5.608 -5.238 2.104 293 HG3 LYS 35 HG3 LYS 35 -6.978 -6.231 1.590 294 HD2 LYS 35 HD2 LYS 35 -4.730 -7.187 3.373 295 HD3 LYS 35 HD3 LYS 35 -6.227 -6.457 3.972 296 HE2 LYS 35 HE2 LYS 35 -7.584 -8.233 2.884 297 HE3 LYS 35 HE3 LYS 35 -6.123 -8.948 2.205 298 HZ1 LYS 35 HZ1 LYS 35 -5.378 -9.250 4.565 299 HZ2 LYS 35 HZ2 LYS 35 -6.627 -10.189 4.068 300 HZ3 LYS 35 HZ3 LYS 35 -6.936 -8.901 5.030 301 H GLN 36 HN GLN 36 -3.734 -4.583 -2.425 302 HA GLN 36 HA GLN 36 -2.144 -6.963 -3.168 303 HB2 GLN 36 HB2 GLN 36 -4.275 -6.640 -4.543 304 HB3 GLN 36 HB3 GLN 36 -3.520 -5.201 -5.229 305 HG2 GLN 36 HG2 GLN 36 -1.956 -6.432 -6.436 306 HG3 GLN 36 HG3 GLN 36 -1.912 -7.752 -5.267 307 HE21 GLN 36 HE21 GLN 36 -2.877 -7.166 -8.427 308 HE22 GLN 36 HE22 GLN 36 -4.232 -8.288 -8.495 309 H LYS 37 HN LYS 37 -0.093 -6.552 -3.274 310 HA LYS 37 HA LYS 37 1.115 -3.898 -3.540 311 HB2 LYS 37 HB2 LYS 37 2.210 -5.823 -2.330 312 HB3 LYS 37 HB3 LYS 37 2.241 -6.734 -3.799 313 HG2 LYS 37 HG2 LYS 37 3.507 -4.009 -3.935 314 HG3 LYS 37 HG3 LYS 37 4.314 -5.172 -2.893 315 HD2 LYS 37 HD2 LYS 37 3.561 -5.897 -5.749 316 HD3 LYS 37 HD3 LYS 37 5.059 -5.049 -5.373 317 HE2 LYS 37 HE2 LYS 37 5.824 -6.857 -3.935 318 HE3 LYS 37 HE3 LYS 37 4.254 -7.666 -4.024 319 HZ1 LYS 37 HZ1 LYS 37 6.004 -8.601 -5.461 320 HZ2 LYS 37 HZ2 LYS 37 5.990 -7.252 -6.375 321 HZ3 LYS 37 HZ3 LYS 37 4.621 -8.178 -6.277 322 H VAL 38 HN VAL 38 1.687 -2.975 -5.494 323 HA VAL 38 HA VAL 38 1.296 -4.619 -7.954 324 HB VAL 38 HB VAL 38 0.332 -2.642 -9.023 325 HG11 VAL 38 HG11 VAL 38 -1.870 -2.769 -8.044 326 HG12 VAL 38 HG12 VAL 38 -1.127 -4.374 -8.007 327 HG13 VAL 38 HG13 VAL 38 -1.217 -3.410 -6.518 328 HG21 VAL 38 HG21 VAL 38 0.213 -1.367 -6.248 329 HG22 VAL 38 HG22 VAL 38 1.298 -0.853 -7.558 330 HG23 VAL 38 HG23 VAL 38 -0.450 -0.716 -7.756 331 H TRP 39 HN TRP 39 3.579 -2.778 -6.137 332 HA TRP 39 HA TRP 39 5.281 -2.516 -8.538 333 HB2 TRP 39 HB2 TRP 39 3.766 -0.508 -8.146 334 HB3 TRP 39 HB3 TRP 39 4.677 -0.233 -6.675 335 HD1 TRP 39 HD1 TRP 39 4.826 -0.039 -10.447 336 HE1 TRP 39 HE1 TRP 39 6.838 1.257 -11.231 337 HE3 TRP 39 HE3 TRP 39 7.302 0.231 -5.993 338 HZ2 TRP 39 HZ2 TRP 39 9.172 2.556 -9.978 339 HZ3 TRP 39 HZ3 TRP 39 9.420 1.502 -5.839 340 HH2 TRP 39 HH2 TRP 39 10.286 2.791 -7.787 341 H ASP 40 HN ASP 40 7.244 -3.306 -8.032 342 HA ASP 40 HA ASP 40 8.417 -2.890 -5.351 343 HB2 ASP 40 HB2 ASP 40 8.990 -5.190 -5.016 344 HB3 ASP 40 HB3 ASP 40 7.269 -4.991 -5.080 345 H ARG 41 HN ARG 41 9.378 -1.354 -7.105 346 HA ARG 41 HA ARG 41 11.638 -2.470 -8.587 347 HB2 ARG 41 HB2 ARG 41 10.128 -0.329 -9.025 348 HB3 ARG 41 HB3 ARG 41 11.201 0.425 -7.874 349 HG2 ARG 41 HG2 ARG 41 12.879 -0.887 -9.774 350 HG3 ARG 41 HG3 ARG 41 11.551 -0.147 -10.685 351 HD2 ARG 41 HD2 ARG 41 11.982 1.998 -9.459 352 HD3 ARG 41 HD3 ARG 41 13.404 1.275 -8.719 353 HE ARG 41 HE ARG 41 13.050 2.357 -11.397 354 HH11 ARG 41 HH11 ARG 41 15.217 0.277 -9.561 355 HH12 ARG 41 HH12 ARG 41 16.233 -0.187 -10.837 356 HH21 ARG 41 HH21 ARG 41 14.636 2.194 -13.052 357 HH22 ARG 41 HH22 ARG 41 15.994 1.151 -12.862 358 H LYS 42 HN LYS 42 13.868 -0.982 -8.021 359 HA LYS 42 HA LYS 42 14.057 -0.337 -5.256 360 HB2 LYS 42 HB2 LYS 42 14.852 -2.905 -5.855 361 HB3 LYS 42 HB3 LYS 42 16.352 -2.062 -6.219 362 HG2 LYS 42 HG2 LYS 42 16.458 -1.233 -3.918 363 HG3 LYS 42 HG3 LYS 42 14.799 -1.788 -3.623 364 HD2 LYS 42 HD2 LYS 42 16.420 -3.298 -2.565 365 HD3 LYS 42 HD3 LYS 42 15.454 -4.118 -3.794 366 HE2 LYS 42 HE2 LYS 42 17.303 -3.919 -5.418 367 HE3 LYS 42 HE3 LYS 42 18.266 -3.025 -4.239 368 HZ1 LYS 42 HZ1 LYS 42 18.779 -5.422 -4.487 369 HZ2 LYS 42 HZ2 LYS 42 17.333 -5.798 -3.815 370 HZ3 LYS 42 HZ3 LYS 42 18.507 -4.988 -2.945 371 H ARG 43 HN ARG 43 16.366 0.669 -4.862 372 HA ARG 43 HA ARG 43 17.380 1.950 -7.348 373 HB2 ARG 43 HB2 ARG 43 17.279 3.222 -4.573 374 HB3 ARG 43 HB3 ARG 43 18.231 3.804 -5.872 375 HG2 ARG 43 HG2 ARG 43 16.442 5.163 -6.048 376 HG3 ARG 43 HG3 ARG 43 16.016 3.940 -7.245 377 HD2 ARG 43 HD2 ARG 43 14.397 2.945 -5.820 378 HD3 ARG 43 HD3 ARG 43 15.050 3.711 -4.372 379 HE ARG 43 HE ARG 43 13.045 4.788 -6.132 380 HH11 ARG 43 HH11 ARG 43 15.813 5.954 -4.196 381 HH12 ARG 43 HH12 ARG 43 15.027 7.432 -3.779 382 HH21 ARG 43 HH21 ARG 43 11.976 6.742 -5.416 383 HH22 ARG 43 HH22 ARG 43 12.824 7.750 -4.305 384 H LYS 44 HN LYS 44 19.924 2.717 -6.384 385 HA LYS 44 HA LYS 44 21.181 0.069 -5.946 386 HB2 LYS 44 HB2 LYS 44 22.404 2.870 -6.128 387 HB3 LYS 44 HB3 LYS 44 23.293 1.397 -5.834 388 HG2 LYS 44 HG2 LYS 44 23.577 1.124 -7.993 389 HG3 LYS 44 HG3 LYS 44 21.855 0.782 -8.165 390 HD2 LYS 44 HD2 LYS 44 21.429 3.178 -8.620 391 HD3 LYS 44 HD3 LYS 44 23.149 3.545 -8.390 392 HE2 LYS 44 HE2 LYS 44 23.759 2.110 -10.269 393 HE3 LYS 44 HE3 LYS 44 22.087 1.559 -10.451 394 HZ1 LYS 44 HZ1 LYS 44 21.463 3.693 -11.236 395 HZ2 LYS 44 HZ2 LYS 44 22.804 3.274 -12.045 396 HZ3 LYS 44 HZ3 LYS 44 22.933 4.374 -10.853 397 H ASP 45 HN ASP 45 20.440 3.055 -4.132 398 HA ASP 45 HA ASP 45 21.580 1.889 -1.662 399 HB2 ASP 45 HB2 ASP 45 22.467 3.998 -1.259 400 HB3 ASP 45 HB3 ASP 45 22.783 3.783 -2.973 401 H GLU 46 HN GLU 46 18.640 2.417 -2.973 402 HA GLU 46 HA GLU 46 17.359 3.036 -0.486 403 HB2 GLU 46 HB2 GLU 46 17.850 5.287 -1.963 404 HB3 GLU 46 HB3 GLU 46 16.341 4.747 -2.716 405 HG2 GLU 46 HG2 GLU 46 15.305 4.649 -0.445 406 HG3 GLU 46 HG3 GLU 46 16.810 5.267 0.251 407 H ALA 47 HN ALA 47 14.834 2.811 -1.055 408 HA ALA 47 HA ALA 47 14.242 1.153 -3.386 409 HB1 ALA 47 HB1 ALA 47 15.241 -0.428 -1.706 410 HB2 ALA 47 HB2 ALA 47 14.089 0.169 -0.505 411 HB3 ALA 47 HB3 ALA 47 13.508 -0.705 -1.955 412 H VAL 48 HN VAL 48 11.904 0.812 -3.488 413 HA VAL 48 HA VAL 48 10.262 2.341 -1.648 414 HB VAL 48 HB VAL 48 10.425 2.933 -4.638 415 HG11 VAL 48 HG11 VAL 48 8.569 4.513 -4.287 416 HG12 VAL 48 HG12 VAL 48 8.097 2.839 -3.991 417 HG13 VAL 48 HG13 VAL 48 8.389 3.936 -2.615 418 HG21 VAL 48 HG21 VAL 48 12.085 4.237 -3.419 419 HG22 VAL 48 HG22 VAL 48 10.782 5.265 -4.000 420 HG23 VAL 48 HG23 VAL 48 10.836 4.805 -2.292 421 H LYS 49 HN LYS 49 8.274 1.267 -1.467 422 HA LYS 49 HA LYS 49 7.684 -1.002 -3.303 423 HB2 LYS 49 HB2 LYS 49 8.457 -1.263 -0.529 424 HB3 LYS 49 HB3 LYS 49 6.726 -1.355 -0.548 425 HG2 LYS 49 HG2 LYS 49 7.302 -3.564 -0.766 426 HG3 LYS 49 HG3 LYS 49 7.004 -3.132 -2.449 427 HD2 LYS 49 HD2 LYS 49 9.436 -2.943 -2.844 428 HD3 LYS 49 HD3 LYS 49 9.759 -3.199 -1.107 429 HE2 LYS 49 HE2 LYS 49 8.643 -5.421 -1.239 430 HE3 LYS 49 HE3 LYS 49 8.392 -5.192 -2.970 431 HZ1 LYS 49 HZ1 LYS 49 10.817 -5.141 -3.234 432 HZ2 LYS 49 HZ2 LYS 49 10.291 -6.545 -2.560 433 HZ3 LYS 49 HZ3 LYS 49 11.035 -5.439 -1.636 434 H GLN 50 HN GLN 50 5.482 -0.716 -4.055 435 HA GLN 50 HA GLN 50 3.922 1.369 -2.631 436 HB2 GLN 50 HB2 GLN 50 4.948 1.513 -5.464 437 HB3 GLN 50 HB3 GLN 50 3.444 2.318 -4.999 438 HG2 GLN 50 HG2 GLN 50 4.526 3.704 -3.419 439 HG3 GLN 50 HG3 GLN 50 5.986 2.782 -3.373 440 HE21 GLN 50 HE21 GLN 50 6.505 2.645 -6.351 441 HE22 GLN 50 HE22 GLN 50 6.822 4.298 -6.802 442 H TYR 51 HN TYR 51 1.740 1.299 -2.982 443 HA TYR 51 HA TYR 51 0.623 -1.256 -3.939 444 HB2 TYR 51 HB2 TYR 51 0.212 -0.107 -1.144 445 HB3 TYR 51 HB3 TYR 51 -0.579 -1.515 -1.811 446 HD1 TYR 51 HD1 TYR 51 2.830 -0.192 -0.913 447 HD2 TYR 51 HD2 TYR 51 0.279 -3.652 -1.269 448 HE1 TYR 51 HE1 TYR 51 4.639 -1.595 -0.061 449 HE2 TYR 51 HE2 TYR 51 2.087 -5.072 -0.290 450 HH TYR 51 HH TYR 51 5.155 -3.713 0.679 451 H HIS 52 HN HIS 52 -1.735 -1.092 -3.985 452 HA HIS 52 HA HIS 52 -2.899 1.616 -4.206 453 HB2 HIS 52 HB2 HIS 52 -2.104 1.095 -6.452 454 HB3 HIS 52 HB3 HIS 52 -2.647 -0.571 -6.320 455 HD1 HIS 52 HD1 HIS 52 -4.850 2.613 -5.700 456 HD2 HIS 52 HD2 HIS 52 -4.390 -0.777 -8.179 457 HE1 HIS 52 HE1 HIS 52 -6.919 2.502 -7.212 458 H LEU 53 HN LEU 53 -4.626 1.340 -2.667 459 HA LEU 53 HA LEU 53 -6.020 -1.279 -2.667 460 HB2 LEU 53 HB2 LEU 53 -5.926 0.833 -0.490 461 HB3 LEU 53 HB3 LEU 53 -6.640 -0.758 -0.428 462 HG LEU 53 HG LEU 53 -4.800 -0.681 0.920 463 HD11 LEU 53 HD11 LEU 53 -3.654 -2.270 -1.391 464 HD12 LEU 53 HD12 LEU 53 -5.050 -2.803 -0.479 465 HD13 LEU 53 HD13 LEU 53 -3.497 -2.610 0.358 466 HD21 LEU 53 HD21 LEU 53 -3.532 1.151 -0.090 467 HD22 LEU 53 HD22 LEU 53 -2.749 -0.041 -1.149 468 HD23 LEU 53 HD23 LEU 53 -2.612 -0.185 0.633 469 H THR 54 HN THR 54 -8.262 -1.128 -3.049 470 HA THR 54 HA THR 54 -9.418 1.452 -3.793 471 HB THR 54 HB THR 54 -10.867 -1.184 -3.377 472 HG1 THR 54 HG1 THR 54 -8.873 -0.689 -5.142 473 HG21 THR 54 HG21 THR 54 -11.313 1.151 -5.290 474 HG22 THR 54 HG22 THR 54 -12.289 0.749 -3.866 475 HG23 THR 54 HG23 THR 54 -12.264 -0.351 -5.250 476 H LEU 55 HN LEU 55 -10.526 2.735 -2.402 477 HA LEU 55 HA LEU 55 -11.367 1.687 0.255 478 HB2 LEU 55 HB2 LEU 55 -10.725 4.450 -0.762 479 HB3 LEU 55 HB3 LEU 55 -11.896 4.280 0.505 480 HG LEU 55 HG LEU 55 -9.732 4.884 1.356 481 HD11 LEU 55 HD11 LEU 55 -9.537 3.528 3.230 482 HD12 LEU 55 HD12 LEU 55 -10.112 2.088 2.386 483 HD13 LEU 55 HD13 LEU 55 -11.255 3.362 2.813 484 HD21 LEU 55 HD21 LEU 55 -8.423 3.693 -0.366 485 HD22 LEU 55 HD22 LEU 55 -8.712 2.164 0.479 486 HD23 LEU 55 HD23 LEU 55 -7.810 3.465 1.299 487 H ARG 56 HN ARG 56 -13.555 2.281 0.911 488 HA ARG 56 HA ARG 56 -15.434 3.232 -1.190 489 HB2 ARG 56 HB2 ARG 56 -15.937 0.885 -1.075 490 HB3 ARG 56 HB3 ARG 56 -15.858 0.884 0.692 491 HG2 ARG 56 HG2 ARG 56 -17.912 2.298 0.745 492 HG3 ARG 56 HG3 ARG 56 -17.938 2.321 -1.032 493 HD2 ARG 56 HD2 ARG 56 -18.185 -0.152 -1.033 494 HD3 ARG 56 HD3 ARG 56 -18.117 -0.154 0.731 495 HE ARG 56 HE ARG 56 -20.191 1.015 0.851 496 HH11 ARG 56 HH11 ARG 56 -19.415 0.264 -2.546 497 HH12 ARG 56 HH12 ARG 56 -21.076 0.104 -3.014 498 HH21 ARG 56 HH21 ARG 56 -22.333 1.210 0.115 499 HH22 ARG 56 HH22 ARG 56 -22.749 0.810 -1.507 500 H GLU 57 HN GLU 57 -16.689 4.879 -0.402 501 HA GLU 57 HA GLU 57 -17.235 5.041 2.500 502 HB2 GLU 57 HB2 GLU 57 -15.569 6.704 2.140 503 HB3 GLU 57 HB3 GLU 57 -16.494 7.435 0.837 504 HG2 GLU 57 HG2 GLU 57 -16.761 8.571 3.023 505 HG3 GLU 57 HG3 GLU 57 -18.286 8.083 2.310 506 H GLY 58 HN GLY 58 -19.333 4.598 2.523 507 HA2 GLY 58 HA1 GLY 58 -21.589 4.831 2.244 508 HA3 GLY 58 HA2 GLY 58 -21.237 6.411 1.542 509 H SER 59 HN SER 59 -21.299 6.657 -0.693 510 HA SER 59 HA SER 59 -22.159 4.309 -2.329 511 HB2 SER 59 HB2 SER 59 -23.061 7.172 -2.716 512 HB3 SER 59 HB3 SER 59 -23.649 5.719 -3.522 513 HG SER 59 HG SER 59 -25.072 6.344 -1.989 514 H LYS 60 HN LYS 60 -19.350 5.451 -1.931 515 HA LYS 60 HA LYS 60 -18.741 5.703 -4.799 516 HB2 LYS 60 HB2 LYS 60 -18.612 7.959 -4.000 517 HB3 LYS 60 HB3 LYS 60 -17.757 7.475 -2.535 518 HG2 LYS 60 HG2 LYS 60 -15.818 7.290 -3.581 519 HG3 LYS 60 HG3 LYS 60 -16.484 6.978 -5.182 520 HD2 LYS 60 HD2 LYS 60 -15.294 9.138 -4.981 521 HD3 LYS 60 HD3 LYS 60 -16.958 9.280 -5.534 522 HE2 LYS 60 HE2 LYS 60 -17.704 10.138 -3.397 523 HE3 LYS 60 HE3 LYS 60 -16.146 9.768 -2.660 524 HZ1 LYS 60 HZ1 LYS 60 -15.146 11.391 -4.198 525 HZ2 LYS 60 HZ2 LYS 60 -16.223 12.080 -3.177 526 HZ3 LYS 60 HZ3 LYS 60 -16.615 11.817 -4.756 527 H GLU 61 HN GLU 61 -17.044 4.563 -5.321 528 HA GLU 61 HA GLU 61 -15.164 3.458 -3.300 529 HB2 GLU 61 HB2 GLU 61 -15.990 2.259 -5.978 530 HB3 GLU 61 HB3 GLU 61 -14.358 2.063 -5.368 531 HG2 GLU 61 HG2 GLU 61 -15.190 0.175 -4.496 532 HG3 GLU 61 HG3 GLU 61 -15.522 1.244 -3.161 533 H PHE 62 HN PHE 62 -12.980 3.957 -3.719 534 HA PHE 62 HA PHE 62 -12.246 5.482 -6.092 535 HB2 PHE 62 HB2 PHE 62 -11.305 7.341 -4.785 536 HB3 PHE 62 HB3 PHE 62 -13.052 7.286 -4.680 537 HD1 PHE 62 HD2 PHE 62 -14.112 6.207 -2.552 538 HD2 PHE 62 HD1 PHE 62 -9.977 7.414 -2.785 539 HE1 PHE 62 HE2 PHE 62 -14.042 6.406 -0.096 540 HE2 PHE 62 HE1 PHE 62 -9.924 7.659 -0.326 541 HZ PHE 62 HZ PHE 62 -11.933 7.155 1.032 542 H GLY 63 HN GLY 63 -9.935 5.325 -6.405 543 HA2 GLY 63 HA1 GLY 63 -8.636 3.216 -4.809 544 HA3 GLY 63 HA2 GLY 63 -8.003 4.056 -6.227 545 H VAL 64 HN VAL 64 -6.785 3.633 -3.419 546 HA VAL 64 HA VAL 64 -5.691 6.351 -3.579 547 HB VAL 64 HB VAL 64 -5.394 6.519 -1.273 548 HG11 VAL 64 HG11 VAL 64 -7.623 6.597 -0.298 549 HG12 VAL 64 HG12 VAL 64 -7.621 7.204 -1.962 550 HG13 VAL 64 HG13 VAL 64 -8.251 5.592 -1.605 551 HG21 VAL 64 HG21 VAL 64 -4.736 4.409 -0.531 552 HG22 VAL 64 HG22 VAL 64 -6.167 4.886 0.396 553 HG23 VAL 64 HG23 VAL 64 -6.310 3.696 -0.938 554 H PHE 65 HN PHE 65 -3.393 6.310 -2.750 555 HA PHE 65 HA PHE 65 -2.085 3.696 -3.341 556 HB2 PHE 65 HB2 PHE 65 -1.274 6.395 -4.451 557 HB3 PHE 65 HB3 PHE 65 -0.336 4.935 -4.581 558 HD1 PHE 65 HD2 PHE 65 -3.413 6.677 -5.615 559 HD2 PHE 65 HD1 PHE 65 -0.910 3.235 -6.234 560 HE1 PHE 65 HE2 PHE 65 -4.710 6.110 -7.679 561 HE2 PHE 65 HE1 PHE 65 -2.172 2.699 -8.324 562 HZ PHE 65 HZ PHE 65 -4.085 4.108 -9.002 563 H VAL 66 HN VAL 66 0.067 3.548 -2.552 564 HA VAL 66 HA VAL 66 0.434 4.986 0.044 565 HB VAL 66 HB VAL 66 0.754 2.015 -0.570 566 HG11 VAL 66 HG11 VAL 66 0.963 1.726 1.797 567 HG12 VAL 66 HG12 VAL 66 2.181 2.891 1.285 568 HG13 VAL 66 HG13 VAL 66 0.703 3.440 2.097 569 HG21 VAL 66 HG21 VAL 66 -1.540 3.489 0.796 570 HG22 VAL 66 HG22 VAL 66 -1.621 2.465 -0.645 571 HG23 VAL 66 HG23 VAL 66 -1.265 1.746 0.934 572 H THR 67 HN THR 67 2.500 5.731 0.400 573 HA THR 67 HA THR 67 4.593 4.992 -1.573 574 HB THR 67 HB THR 67 3.941 7.676 -0.298 575 HG1 THR 67 HG1 THR 67 3.355 8.224 -2.418 576 HG21 THR 67 HG21 THR 67 5.622 8.550 -1.937 577 HG22 THR 67 HG22 THR 67 6.024 6.871 -2.378 578 HG23 THR 67 HG23 THR 67 6.356 7.478 -0.742 579 H ILE 68 HN ILE 68 6.113 3.808 -0.564 580 HA ILE 68 HA ILE 68 6.871 4.387 2.272 581 HB ILE 68 HB ILE 68 6.510 1.771 0.770 582 HG12 ILE 68 HG12 ILE 68 5.074 2.866 3.248 583 HG13 ILE 68 HG13 ILE 68 4.398 2.764 1.627 584 HG21 ILE 68 HG21 ILE 68 7.270 0.627 2.812 585 HG22 ILE 68 HG22 ILE 68 8.529 1.724 2.292 586 HG23 ILE 68 HG23 ILE 68 7.482 2.183 3.652 587 HD11 ILE 68 HD11 ILE 68 5.104 0.410 3.415 588 HD12 ILE 68 HD12 ILE 68 3.504 0.960 2.908 589 HD13 ILE 68 HD13 ILE 68 4.610 0.271 1.705 590 H SER 69 HN SER 69 8.827 5.414 1.966 591 HA SER 69 HA SER 69 10.716 4.472 -0.128 592 HB2 SER 69 HB2 SER 69 11.097 6.871 1.674 593 HB3 SER 69 HB3 SER 69 11.764 6.579 0.066 594 HG SER 69 HG SER 69 9.735 7.085 -0.819 595 H PHE 70 HN PHE 70 12.462 3.162 0.598 596 HA PHE 70 HA PHE 70 13.145 3.183 3.458 597 HB2 PHE 70 HB2 PHE 70 12.778 0.882 3.808 598 HB3 PHE 70 HB3 PHE 70 11.286 1.542 3.193 599 HD1 PHE 70 HD2 PHE 70 10.655 1.060 0.737 600 HD2 PHE 70 HD1 PHE 70 13.962 -0.848 2.707 601 HE1 PHE 70 HE2 PHE 70 10.620 -0.778 -0.946 602 HE2 PHE 70 HE1 PHE 70 13.839 -2.751 1.099 603 HZ PHE 70 HZ PHE 70 12.150 -2.725 -0.714 604 H ASP 71 HN ASP 71 15.102 1.680 3.817 605 HA ASP 71 HA ASP 71 16.992 2.177 1.539 606 HB2 ASP 71 HB2 ASP 71 17.255 3.125 3.886 607 HB3 ASP 71 HB3 ASP 71 17.550 1.471 4.435 608 HA PRO 72 HA PRO 72 17.144 -2.373 1.269 609 HB2 PRO 72 HB2 PRO 72 19.117 -2.705 -0.560 610 HB3 PRO 72 HB3 PRO 72 17.515 -2.039 -0.999 611 HG2 PRO 72 HG2 PRO 72 20.051 -0.493 -0.375 612 HG3 PRO 72 HG3 PRO 72 18.979 -0.326 -1.809 613 HD2 PRO 72 HD2 PRO 72 18.662 1.297 0.325 614 HD3 PRO 72 HD3 PRO 72 17.236 0.612 -0.505 615 H TYR 73 HN TYR 73 19.797 -0.311 2.351 616 HA TYR 73 HA TYR 73 21.746 -2.233 3.027 617 HB2 TYR 73 HB2 TYR 73 20.983 0.415 4.325 618 HB3 TYR 73 HB3 TYR 73 22.256 -0.598 4.930 619 HD1 TYR 73 HD2 TYR 73 21.526 0.321 1.289 620 HD2 TYR 73 HD1 TYR 73 24.195 0.649 4.674 621 HE1 TYR 73 HE2 TYR 73 23.213 1.361 -0.145 622 HE2 TYR 73 HE1 TYR 73 25.881 1.736 3.221 623 HH TYR 73 HH TYR 73 26.016 2.990 1.007 624 H SER 74 HN SER 74 19.055 -0.896 5.008 625 HA SER 74 HA SER 74 18.927 -3.452 6.481 626 HB2 SER 74 HB2 SER 74 20.684 -1.739 7.413 627 HB3 SER 74 HB3 SER 74 19.252 -0.979 8.146 628 HG SER 74 HG SER 74 20.441 -2.751 9.326 629 H GLN 75 HN GLN 75 16.963 -1.522 4.831 630 HA GLN 75 HA GLN 75 14.739 -0.941 4.983 631 HB2 GLN 75 HB2 GLN 75 14.751 -3.539 6.626 632 HB3 GLN 75 HB3 GLN 75 13.305 -2.694 6.131 633 HG2 GLN 75 HG2 GLN 75 13.372 -4.217 4.453 634 HG3 GLN 75 HG3 GLN 75 14.285 -2.913 3.693 635 HE21 GLN 75 HE21 GLN 75 14.390 -5.574 2.796 636 HE22 GLN 75 HE22 GLN 75 15.979 -6.222 3.152 637 H LYS 76 HN LYS 76 16.328 0.551 6.362 638 HA LYS 76 HA LYS 76 14.677 1.445 8.612 639 HB2 LYS 76 HB2 LYS 76 16.062 3.434 8.557 640 HB3 LYS 76 HB3 LYS 76 17.066 1.989 8.721 641 HG2 LYS 76 HG2 LYS 76 18.109 2.278 6.706 642 HG3 LYS 76 HG3 LYS 76 16.658 2.917 5.953 643 HD2 LYS 76 HD2 LYS 76 18.164 4.693 5.948 644 HD3 LYS 76 HD3 LYS 76 16.947 5.059 7.189 645 HE2 LYS 76 HE2 LYS 76 18.533 4.285 8.949 646 HE3 LYS 76 HE3 LYS 76 19.709 3.850 7.696 647 HZ1 LYS 76 HZ1 LYS 76 19.741 6.217 7.054 648 HZ2 LYS 76 HZ2 LYS 76 20.254 5.963 8.597 649 HZ3 LYS 76 HZ3 LYS 76 18.747 6.568 8.296 650 H VAL 77 HN VAL 77 13.167 2.892 8.232 651 HA VAL 77 HA VAL 77 12.148 3.172 5.454 652 HB VAL 77 HB VAL 77 10.576 4.176 7.827 653 HG11 VAL 77 HG11 VAL 77 9.701 4.541 5.599 654 HG12 VAL 77 HG12 VAL 77 9.940 2.837 5.162 655 HG13 VAL 77 HG13 VAL 77 8.731 3.273 6.365 656 HG21 VAL 77 HG21 VAL 77 11.227 2.069 8.747 657 HG22 VAL 77 HG22 VAL 77 9.575 1.902 8.141 658 HG23 VAL 77 HG23 VAL 77 10.948 1.242 7.212 659 H ASN 78 HN ASN 78 12.416 5.073 4.400 660 HA ASN 78 HA ASN 78 14.008 7.147 5.783 661 HB2 ASN 78 HB2 ASN 78 13.448 6.599 2.840 662 HB3 ASN 78 HB3 ASN 78 14.418 7.938 3.458 663 HD21 ASN 78 HD21 ASN 78 15.036 5.146 1.925 664 HD22 ASN 78 HD22 ASN 78 16.353 4.551 2.926 665 H LYS 79 HN LYS 79 11.011 6.774 3.834 666 HA LYS 79 HA LYS 79 9.762 8.830 5.470 667 HB2 LYS 79 HB2 LYS 79 9.979 9.088 2.440 668 HB3 LYS 79 HB3 LYS 79 8.626 9.748 3.322 669 HG2 LYS 79 HG2 LYS 79 9.715 11.615 3.469 670 HG3 LYS 79 HG3 LYS 79 10.607 10.896 4.797 671 HD2 LYS 79 HD2 LYS 79 12.562 10.713 3.540 672 HD3 LYS 79 HD3 LYS 79 11.678 10.355 2.054 673 HE2 LYS 79 HE2 LYS 79 10.821 12.864 2.337 674 HE3 LYS 79 HE3 LYS 79 12.341 13.042 3.236 675 HZ1 LYS 79 HZ1 LYS 79 12.068 11.956 0.497 676 HZ2 LYS 79 HZ2 LYS 79 13.495 12.289 1.262 677 HZ3 LYS 79 HZ3 LYS 79 12.475 13.515 0.831 678 H ILE 80 HN ILE 80 7.436 8.750 5.204 679 HA ILE 80 HA ILE 80 6.310 6.586 3.549 680 HB ILE 80 HB ILE 80 5.525 7.089 6.458 681 HG12 ILE 80 HG12 ILE 80 7.043 4.765 5.190 682 HG13 ILE 80 HG13 ILE 80 7.618 5.871 6.448 683 HG21 ILE 80 HG21 ILE 80 3.943 5.232 6.143 684 HG22 ILE 80 HG22 ILE 80 3.632 6.489 4.982 685 HG23 ILE 80 HG23 ILE 80 4.499 5.025 4.463 686 HD11 ILE 80 HD11 ILE 80 5.557 3.686 6.699 687 HD12 ILE 80 HD12 ILE 80 7.067 3.893 7.597 688 HD13 ILE 80 HD13 ILE 80 5.718 4.994 7.914 689 H ALA 81 HN ALA 81 4.411 7.322 2.525 690 HA ALA 81 HA ALA 81 2.934 9.602 3.579 691 HB1 ALA 81 HB1 ALA 81 2.953 10.835 1.439 692 HB2 ALA 81 HB2 ALA 81 4.590 10.708 2.099 693 HB3 ALA 81 HB3 ALA 81 4.097 9.664 0.752 694 H ILE 82 HN ILE 82 0.908 9.916 2.102 695 HA ILE 82 HA ILE 82 -0.081 7.401 0.898 696 HB ILE 82 HB ILE 82 -1.237 9.055 3.153 697 HG12 ILE 82 HG12 ILE 82 0.147 6.991 3.608 698 HG13 ILE 82 HG13 ILE 82 -1.440 7.021 4.319 699 HG21 ILE 82 HG21 ILE 82 -2.890 7.243 1.346 700 HG22 ILE 82 HG22 ILE 82 -3.398 7.885 2.923 701 HG23 ILE 82 HG23 ILE 82 -3.082 8.982 1.583 702 HD11 ILE 82 HD11 ILE 82 -1.007 5.607 1.668 703 HD12 ILE 82 HD12 ILE 82 -0.647 4.814 3.193 704 HD13 ILE 82 HD13 ILE 82 -2.296 5.359 2.869 705 H LEU 83 HN LEU 83 -1.626 7.821 -0.779 706 HA LEU 83 HA LEU 83 -1.801 10.628 -1.764 707 HB2 LEU 83 HB2 LEU 83 0.014 9.177 -2.774 708 HB3 LEU 83 HB3 LEU 83 -1.203 8.057 -3.261 709 HG LEU 83 HG LEU 83 -0.301 9.392 -5.066 710 HD11 LEU 83 HD11 LEU 83 -2.758 8.652 -5.080 711 HD12 LEU 83 HD12 LEU 83 -2.202 9.836 -6.272 712 HD13 LEU 83 HD13 LEU 83 -3.134 10.378 -4.873 713 HD21 LEU 83 HD21 LEU 83 0.243 11.436 -3.852 714 HD22 LEU 83 HD22 LEU 83 -1.480 11.813 -3.661 715 HD23 LEU 83 HD23 LEU 83 -0.750 11.796 -5.271 716 H GLU 84 HN GLU 84 -3.807 11.043 -2.658 717 HA GLU 84 HA GLU 84 -5.885 8.870 -2.479 718 HB2 GLU 84 HB2 GLU 84 -5.828 11.104 -0.896 719 HB3 GLU 84 HB3 GLU 84 -6.718 11.704 -2.309 720 HG2 GLU 84 HG2 GLU 84 -8.278 9.672 -1.990 721 HG3 GLU 84 HG3 GLU 84 -7.429 9.382 -0.507 722 H GLU 85 HN GLU 85 -7.098 8.589 -4.283 723 HA GLU 85 HA GLU 85 -6.549 10.198 -6.687 724 HB2 GLU 85 HB2 GLU 85 -6.800 7.649 -6.654 725 HB3 GLU 85 HB3 GLU 85 -8.528 7.918 -6.351 726 HG2 GLU 85 HG2 GLU 85 -8.767 9.086 -8.485 727 HG3 GLU 85 HG3 GLU 85 -7.023 8.989 -8.770 728 H TYR 86 HN TYR 86 -8.451 11.065 -7.884 729 HA TYR 86 HA TYR 86 -10.953 11.590 -6.551 730 HB2 TYR 86 HB2 TYR 86 -10.573 14.120 -7.054 731 HB3 TYR 86 HB3 TYR 86 -9.931 13.422 -5.578 732 HD1 TYR 86 HD1 TYR 86 -8.966 14.710 -8.961 733 HD2 TYR 86 HD2 TYR 86 -7.587 13.278 -5.131 734 HE1 TYR 86 HE1 TYR 86 -6.697 15.528 -9.484 735 HE2 TYR 86 HE2 TYR 86 -5.300 14.051 -5.659 736 HH TYR 86 HH TYR 86 -4.457 15.825 -8.632 737 H GLN 87 HN GLN 87 -12.401 12.698 -8.209 738 HA GLN 87 HA GLN 87 -11.564 12.997 -10.879 739 HB2 GLN 87 HB2 GLN 87 -13.099 11.209 -11.859 740 HB3 GLN 87 HB3 GLN 87 -11.514 10.784 -11.301 741 HG2 GLN 87 HG2 GLN 87 -13.088 10.286 -9.049 742 HG3 GLN 87 HG3 GLN 87 -14.143 9.847 -10.395 743 HE21 GLN 87 HE21 GLN 87 -11.362 8.978 -8.509 744 HE22 GLN 87 HE22 GLN 87 -10.745 7.667 -9.462
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