NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24352 | 2k22 | 15687 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 -3.893 11.800 6.779 2 HA MET 1 HA MET 1 -1.153 11.222 7.018 3 HB3 MET 1 2HB MET 1 -2.772 11.024 9.555 4 HG3 MET 1 2HG MET 1 -0.193 9.660 8.860 5 HE1 MET 1 3HE MET 1 -1.525 8.742 12.862 6 HE2 MET 1 1HE MET 1 -2.217 10.356 12.706 7 HE3 MET 1 2HE MET 1 -2.582 9.120 11.501 8 H VAL 2 H VAL 2 -0.717 9.046 6.693 9 HA VAL 2 HA VAL 2 -3.066 7.287 6.424 10 HB VAL 2 HB VAL 2 -2.080 6.264 4.455 11 HG11 VAL 2 1HG1 VAL 2 -3.563 8.026 3.943 12 HG12 VAL 2 2HG1 VAL 2 -2.371 9.255 4.364 13 HG13 VAL 2 3HG1 VAL 2 -2.154 8.274 2.914 14 HG21 VAL 2 3HG2 VAL 2 -0.093 7.875 3.530 15 HG22 VAL 2 1HG2 VAL 2 0.241 7.865 5.261 16 HG23 VAL 2 2HG2 VAL 2 0.165 6.345 4.369 17 H THR 3 H THR 3 -2.898 5.306 7.299 18 HA THR 3 HA THR 3 -0.265 4.506 8.359 19 HB THR 3 HB THR 3 -2.840 3.532 9.552 20 HG1 THR 3 1HG THR 3 -3.178 5.640 9.892 21 HG21 THR 3 3HG2 THR 3 -1.065 2.359 10.463 22 HG22 THR 3 1HG2 THR 3 -1.241 3.687 11.610 23 HG23 THR 3 2HG2 THR 3 0.026 3.742 10.384 24 H VAL 4 H VAL 4 0.504 2.548 7.825 25 HA VAL 4 HA VAL 4 -1.314 0.679 6.451 26 HB VAL 4 HB VAL 4 0.622 -0.042 5.069 27 HG11 VAL 4 1HG1 VAL 4 -1.100 1.692 4.374 28 HG12 VAL 4 2HG1 VAL 4 0.137 2.903 4.715 29 HG13 VAL 4 3HG1 VAL 4 0.418 1.680 3.475 30 HG21 VAL 4 3HG2 VAL 4 2.512 1.673 4.926 31 HG22 VAL 4 1HG2 VAL 4 1.948 2.242 6.497 32 HG23 VAL 4 2HG2 VAL 4 2.512 0.581 6.312 33 H ARG 5 H ARG 5 -1.098 -1.484 6.905 34 HA ARG 5 HA ARG 5 0.728 -2.142 9.121 35 HB3 ARG 5 2HB ARG 5 -0.853 -3.737 9.900 36 HG3 ARG 5 2HG ARG 5 -2.602 -1.480 8.964 37 HD3 ARG 5 2HD ARG 5 -2.706 -3.544 11.097 38 HE ARG 5 HE ARG 5 -3.190 -0.805 11.705 39 HH11 ARG 5 1HH1 ARG 5 -4.385 -4.034 12.226 40 HH12 ARG 5 2HH1 ARG 5 -5.136 -3.652 13.740 41 HH21 ARG 5 1HH2 ARG 5 -4.177 -0.289 13.696 42 HH22 ARG 5 2HH2 ARG 5 -5.019 -1.521 14.574 43 H TYR 6 H TYR 6 1.611 -4.311 9.160 44 HA TYR 6 HA TYR 6 1.649 -5.704 6.586 45 HB3 TYR 6 2HB TYR 6 4.069 -5.843 6.557 46 HD1 TYR 6 2HD TYR 6 2.593 -4.470 4.725 47 HD2 TYR 6 1HD TYR 6 4.814 -2.768 7.931 48 HE1 TYR 6 2HE TYR 6 2.727 -2.344 3.496 49 HE2 TYR 6 1HE TYR 6 4.953 -0.637 6.711 50 HH TYR 6 HH TYR 6 4.553 0.408 4.780 51 H TYR 7 H TYR 7 1.941 -7.896 6.724 52 HA TYR 7 HA TYR 7 1.936 -9.002 9.447 53 HB3 TYR 7 2HB TYR 7 1.221 -11.066 7.754 54 HD1 TYR 7 2HD TYR 7 -0.826 -8.062 8.623 55 HD2 TYR 7 1HD TYR 7 0.013 -12.162 9.393 56 HE1 TYR 7 2HE TYR 7 -2.697 -8.140 10.217 57 HE2 TYR 7 1HE TYR 7 -1.855 -12.251 10.989 58 HH TYR 7 HH TYR 7 -3.108 -10.079 12.478 59 H ALA 8 H ALA 8 2.678 -11.515 9.188 60 HA ALA 8 HA ALA 8 5.445 -11.487 9.079 61 HB1 ALA 8 1HB ALA 8 3.393 -13.640 9.037 62 HB2 ALA 8 2HB ALA 8 5.070 -14.065 8.687 63 HB3 ALA 8 3HB ALA 8 4.655 -13.302 10.223 64 H THR 9 H THR 9 3.142 -11.826 6.510 65 HA THR 9 HA THR 9 4.892 -12.996 4.593 66 HB THR 9 HB THR 9 3.157 -11.973 2.947 67 HG1 THR 9 1HG THR 9 1.233 -11.342 3.931 68 HG21 THR 9 3HG2 THR 9 2.049 -13.945 3.053 69 HG22 THR 9 1HG2 THR 9 1.747 -13.806 4.784 70 HG23 THR 9 2HG2 THR 9 3.320 -14.355 4.205 71 H LEU 10 H LEU 10 4.033 -9.687 5.450 72 HA LEU 10 HA LEU 10 5.857 -8.669 3.393 73 HB3 LEU 10 2HB LEU 10 4.888 -6.440 4.067 74 HG LEU 10 HG LEU 10 2.841 -6.587 2.884 75 HD11 LEU 10 1HD1 LEU 10 4.205 -8.839 1.542 76 HD12 LEU 10 2HD1 LEU 10 5.155 -7.378 1.809 77 HD13 LEU 10 3HD1 LEU 10 3.649 -7.296 0.894 78 HD21 LEU 10 3HD2 LEU 10 2.101 -8.616 4.310 79 HD22 LEU 10 1HD2 LEU 10 2.829 -9.576 3.022 80 HD23 LEU 10 2HD2 LEU 10 1.506 -8.468 2.656 81 H ARG 11 H ARG 11 6.189 -9.766 6.380 82 HA ARG 11 HA ARG 11 7.372 -7.763 7.905 83 HB3 ARG 11 2HB ARG 11 8.828 -10.052 8.504 84 HG3 ARG 11 2HG ARG 11 6.080 -9.514 9.589 85 HD3 ARG 11 2HD ARG 11 7.836 -11.485 10.201 86 HE ARG 11 HE ARG 11 8.860 -9.204 11.573 87 HH11 ARG 11 1HH1 ARG 11 8.246 -12.617 11.876 88 HH12 ARG 11 2HH1 ARG 11 9.488 -12.867 13.058 89 HH21 ARG 11 1HH2 ARG 11 10.498 -9.521 13.127 90 HH22 ARG 11 2HH2 ARG 11 10.768 -11.106 13.769 91 HA PRO 12 HA PRO 12 11.657 -8.980 6.040 92 HB3 PRO 12 2HB PRO 12 11.732 -11.228 5.578 93 HG3 PRO 12 2HG PRO 12 9.843 -12.365 4.837 94 HD3 PRO 12 2HD PRO 12 8.963 -11.284 6.672 95 H ILE 13 H ILE 13 8.872 -8.103 4.333 96 HA ILE 13 HA ILE 13 10.374 -6.960 2.093 97 HB ILE 13 HB ILE 13 7.392 -6.806 2.419 98 HG13 ILE 13 2HG1 ILE 13 7.949 -9.156 2.687 99 HG21 ILE 13 1HG2 ILE 13 8.992 -7.052 -0.108 100 HG22 ILE 13 2HG2 ILE 13 7.347 -6.455 0.104 101 HG23 ILE 13 3HG2 ILE 13 8.712 -5.495 0.672 102 HD11 ILE 13 3HD1 ILE 13 7.307 -9.623 -0.034 103 HD12 ILE 13 1HD1 ILE 13 6.263 -9.729 1.384 104 HD13 ILE 13 2HD1 ILE 13 6.415 -8.203 0.512 105 H THR 14 H THR 14 8.883 -6.091 5.058 106 HA THR 14 HA THR 14 9.210 -3.238 4.391 107 HB THR 14 HB THR 14 6.824 -3.943 4.766 108 HG1 THR 14 1HG THR 14 7.818 -2.129 6.725 109 HG21 THR 14 3HG2 THR 14 6.149 -4.997 6.627 110 HG22 THR 14 1HG2 THR 14 7.110 -3.951 7.671 111 HG23 THR 14 2HG2 THR 14 7.857 -5.348 6.896 112 H LYS 15 H LYS 15 10.757 -5.571 5.880 113 HA LYS 15 HA LYS 15 12.254 -5.729 7.586 114 HB3 LYS 15 2HB LYS 15 13.476 -3.766 8.173 115 HG3 LYS 15 2HG LYS 15 12.428 -3.403 5.373 116 HD3 LYS 15 2HD LYS 15 13.637 -1.428 6.493 117 HE3 LYS 15 2HE LYS 15 16.192 -1.800 6.117 118 HZ1 LYS 15 3HZ LYS 15 16.364 -1.768 8.335 119 HZ2 LYS 15 1HZ LYS 15 15.445 -3.174 8.546 120 HZ3 LYS 15 2HZ LYS 15 14.674 -1.685 8.326 121 H LYS 16 H LYS 16 9.585 -6.028 8.321 122 HA LYS 16 HA LYS 16 8.078 -5.785 10.050 123 HB3 LYS 16 2HB LYS 16 9.737 -7.454 10.819 124 HG3 LYS 16 2HG LYS 16 11.163 -6.468 12.817 125 HD3 LYS 16 2HD LYS 16 12.946 -5.993 10.838 126 HE3 LYS 16 2HE LYS 16 13.266 -8.516 10.802 127 HZ1 LYS 16 3HZ LYS 16 13.547 -6.693 12.959 128 HZ2 LYS 16 1HZ LYS 16 14.568 -7.957 12.488 129 HZ3 LYS 16 2HZ LYS 16 13.282 -8.258 13.542 130 H LYS 17 H LYS 17 8.711 -3.262 9.146 131 HA LYS 17 HA LYS 17 8.632 -1.729 11.652 132 HB3 LYS 17 2HB LYS 17 10.064 -0.757 9.180 133 HG3 LYS 17 2HG LYS 17 10.600 0.165 11.965 134 HD3 LYS 17 2HD LYS 17 10.935 2.317 10.565 135 HE3 LYS 17 2HE LYS 17 12.829 0.024 10.077 136 HZ1 LYS 17 3HZ LYS 17 13.468 2.874 10.560 137 HZ2 LYS 17 1HZ LYS 17 13.239 2.250 9.005 138 HZ3 LYS 17 2HZ LYS 17 14.490 1.658 9.976 139 H GLU 18 H GLU 18 6.775 -0.673 11.781 140 HA GLU 18 HA GLU 18 5.441 0.141 9.284 141 HB3 GLU 18 2HB GLU 18 4.322 -0.636 11.973 142 HG3 GLU 18 2HG GLU 18 2.096 -0.321 10.605 143 H GLU 19 H GLU 19 4.654 2.211 9.067 144 HA GLU 19 HA GLU 19 4.786 4.088 11.254 145 HB3 GLU 19 2HB GLU 19 6.402 4.854 8.857 146 HG3 GLU 19 2HG GLU 19 6.230 5.696 11.707 147 H THR 20 H THR 20 4.006 6.255 10.605 148 HA THR 20 HA THR 20 1.991 5.991 8.485 149 HB THR 20 HB THR 20 1.046 8.109 9.625 150 HG1 THR 20 1HG THR 20 2.595 8.716 11.037 151 HG21 THR 20 3HG2 THR 20 -0.048 5.945 9.766 152 HG22 THR 20 1HG2 THR 20 -0.107 6.748 11.335 153 HG23 THR 20 2HG2 THR 20 1.050 5.447 11.053 154 H PHE 21 H PHE 21 1.548 7.824 7.110 155 HA PHE 21 HA PHE 21 3.823 9.665 6.801 156 HB3 PHE 21 2HB PHE 21 2.377 8.711 4.369 157 HD1 PHE 21 1HD PHE 21 5.923 8.337 5.294 158 HD2 PHE 21 2HD PHE 21 3.052 10.606 3.121 159 HE1 PHE 21 1HE PHE 21 7.742 9.521 4.136 160 HE2 PHE 21 2HE PHE 21 4.866 11.794 1.959 161 HZ PHE 21 HZ PHE 21 7.214 11.252 2.465 162 H ASN 22 H ASN 22 3.340 11.741 6.161 163 HA ASN 22 HA ASN 22 0.487 12.388 5.832 164 HB3 ASN 22 2HB ASN 22 1.252 12.979 8.108 165 HD21 ASN 22 1HD2 ASN 22 2.167 16.024 7.103 166 HD22 ASN 22 2HD2 ASN 22 3.839 15.954 7.533 167 H GLY 23 H GLY 23 0.049 14.367 4.663 168 HA2 GLY 23 2HA GLY 23 1.313 16.250 3.469 169 HA3 GLY 23 3HA GLY 23 2.166 14.927 2.690 170 H ILE 24 H ILE 24 0.524 13.214 1.771 171 HA ILE 24 HA ILE 24 -1.383 14.742 0.134 172 HB ILE 24 HB ILE 24 0.437 13.532 -1.065 173 HG13 ILE 24 2HG1 ILE 24 -2.203 13.799 -1.733 174 HG21 ILE 24 1HG2 ILE 24 0.950 11.425 -0.596 175 HG22 ILE 24 2HG2 ILE 24 -0.266 11.450 0.681 176 HG23 ILE 24 3HG2 ILE 24 -0.702 10.905 -0.938 177 HD11 ILE 24 3HD1 ILE 24 -0.289 14.228 -3.223 178 HD12 ILE 24 1HD1 ILE 24 -0.151 12.492 -3.501 179 HD13 ILE 24 2HD1 ILE 24 -1.601 13.355 -4.013 180 H SER 25 H SER 25 -3.465 13.937 -0.256 181 HA SER 25 HA SER 25 -4.385 11.958 1.723 182 HB3 SER 25 2HB SER 25 -5.494 13.905 2.336 183 HG SER 25 HG SER 25 -6.142 14.597 -0.315 184 H LYS 26 H LYS 26 -3.408 10.837 -0.480 185 HA LYS 26 HA LYS 26 -5.768 9.690 -1.710 186 HB3 LYS 26 2HB LYS 26 -4.780 9.960 -4.017 187 HG3 LYS 26 2HG LYS 26 -5.486 12.543 -2.639 188 HD3 LYS 26 2HD LYS 26 -4.466 12.465 -5.055 189 HE3 LYS 26 2HE LYS 26 -7.292 11.508 -5.434 190 HZ1 LYS 26 3HZ LYS 26 -5.554 12.549 -7.594 191 HZ2 LYS 26 1HZ LYS 26 -6.732 13.503 -6.840 192 HZ3 LYS 26 2HZ LYS 26 -7.185 12.111 -7.686 193 H ILE 27 H ILE 27 -5.362 7.672 -2.746 194 HA ILE 27 HA ILE 27 -3.213 6.207 -1.538 195 HB ILE 27 HB ILE 27 -5.248 5.337 -3.593 196 HG13 ILE 27 2HG1 ILE 27 -6.432 4.335 -1.734 197 HG21 ILE 27 1HG2 ILE 27 -3.319 3.905 -3.712 198 HG22 ILE 27 2HG2 ILE 27 -3.289 3.733 -1.958 199 HG23 ILE 27 3HG2 ILE 27 -4.618 3.043 -2.889 200 HD11 ILE 27 3HD1 ILE 27 -5.392 5.389 0.577 201 HD12 ILE 27 1HD1 ILE 27 -5.293 3.705 0.063 202 HD13 ILE 27 2HD1 ILE 27 -3.966 4.812 -0.285 203 H SER 28 H SER 28 -3.717 7.809 -4.545 204 HA SER 28 HA SER 28 -2.106 6.415 -6.300 205 HB3 SER 28 2HB SER 28 -1.928 9.398 -6.295 206 HG SER 28 HG SER 28 -2.527 8.910 -8.539 207 H GLU 29 H GLU 29 -1.107 9.068 -4.138 208 HA GLU 29 HA GLU 29 1.669 8.723 -4.736 209 HB3 GLU 29 2HB GLU 29 0.226 10.293 -2.601 210 HG3 GLU 29 2HG GLU 29 3.146 9.982 -3.101 211 H LEU 30 H LEU 30 -0.530 7.501 -2.325 212 HA LEU 30 HA LEU 30 1.340 6.638 -0.412 213 HB3 LEU 30 2HB LEU 30 -1.193 5.150 -0.984 214 HG LEU 30 HG LEU 30 0.073 5.989 1.623 215 HD11 LEU 30 1HD1 LEU 30 -1.734 4.934 2.734 216 HD12 LEU 30 2HD1 LEU 30 -2.390 4.310 1.222 217 HD13 LEU 30 3HD1 LEU 30 -2.441 6.041 1.557 218 HD21 LEU 30 3HD2 LEU 30 -0.164 3.364 0.183 219 HD22 LEU 30 1HD2 LEU 30 0.108 3.461 1.923 220 HD23 LEU 30 2HD2 LEU 30 1.287 4.153 0.807 221 H LEU 31 H LEU 31 -0.226 4.847 -3.065 222 HA LEU 31 HA LEU 31 1.262 2.468 -2.649 223 HB3 LEU 31 2HB LEU 31 0.513 2.289 -5.241 224 HG LEU 31 HG LEU 31 -1.423 1.950 -2.950 225 HD11 LEU 31 1HD1 LEU 31 -1.472 1.087 -5.823 226 HD12 LEU 31 2HD1 LEU 31 -2.712 1.937 -4.902 227 HD13 LEU 31 3HD1 LEU 31 -2.384 0.235 -4.578 228 HD21 LEU 31 3HD2 LEU 31 0.126 0.427 -2.340 229 HD22 LEU 31 1HD2 LEU 31 0.851 0.360 -3.946 230 HD23 LEU 31 2HD2 LEU 31 -0.632 -0.533 -3.611 231 H GLU 32 H GLU 32 1.660 5.239 -4.810 232 HA GLU 32 HA GLU 32 3.828 4.212 -6.290 233 HB3 GLU 32 2HB GLU 32 3.017 7.061 -5.696 234 HG3 GLU 32 2HG GLU 32 4.837 6.110 -7.893 235 H ARG 33 H ARG 33 3.643 5.978 -3.256 236 HA ARG 33 HA ARG 33 6.478 6.370 -3.046 237 HB3 ARG 33 2HB ARG 33 4.307 6.592 -0.952 238 HG3 ARG 33 2HG ARG 33 6.723 6.396 -0.130 239 HD3 ARG 33 2HD ARG 33 7.638 7.880 -1.929 240 HE ARG 33 HE ARG 33 5.843 9.796 -0.844 241 HH11 ARG 33 1HH1 ARG 33 9.021 9.446 -2.222 242 HH12 ARG 33 2HH1 ARG 33 9.084 11.070 -2.820 243 HH21 ARG 33 1HH2 ARG 33 5.914 11.938 -1.628 244 HH22 ARG 33 2HH2 ARG 33 7.316 12.487 -2.481 245 H LEU 34 H LEU 34 4.123 4.203 -1.498 246 HA LEU 34 HA LEU 34 5.991 2.828 0.107 247 HB3 LEU 34 2HB LEU 34 4.060 0.987 -0.222 248 HG LEU 34 HG LEU 34 2.690 2.089 1.547 249 HD11 LEU 34 1HD1 LEU 34 4.523 2.069 3.255 250 HD12 LEU 34 2HD1 LEU 34 5.666 1.858 1.929 251 HD13 LEU 34 3HD1 LEU 34 4.436 0.632 2.236 252 HD21 LEU 34 3HD2 LEU 34 4.723 4.172 1.965 253 HD22 LEU 34 1HD2 LEU 34 2.975 4.224 2.193 254 HD23 LEU 34 2HD2 LEU 34 3.659 4.422 0.579 255 H LYS 35 H LYS 35 4.839 2.329 -3.176 256 HA LYS 35 HA LYS 35 5.813 -0.235 -3.645 257 HB3 LYS 35 2HB LYS 35 5.345 2.139 -5.421 258 HG3 LYS 35 2HG LYS 35 6.631 -0.444 -6.183 259 HD3 LYS 35 2HD LYS 35 4.397 -0.181 -7.373 260 HE3 LYS 35 2HE LYS 35 4.475 2.256 -7.641 261 HZ1 LYS 35 3HZ LYS 35 6.569 2.949 -8.125 262 HZ2 LYS 35 1HZ LYS 35 5.959 2.881 -9.701 263 HZ3 LYS 35 2HZ LYS 35 6.922 1.623 -9.113 264 H VAL 36 H VAL 36 7.428 2.893 -4.173 265 HA VAL 36 HA VAL 36 9.907 1.672 -4.935 266 HB VAL 36 HB VAL 36 9.299 3.879 -5.793 267 HG11 VAL 36 1HG1 VAL 36 9.614 4.833 -2.949 268 HG12 VAL 36 2HG1 VAL 36 9.302 5.845 -4.361 269 HG13 VAL 36 3HG1 VAL 36 8.088 4.686 -3.818 270 HG21 VAL 36 3HG2 VAL 36 11.728 4.023 -4.009 271 HG22 VAL 36 1HG2 VAL 36 11.674 3.242 -5.590 272 HG23 VAL 36 2HG2 VAL 36 11.428 4.984 -5.458 273 H GLU 37 H GLU 37 8.551 3.008 -1.981 274 HA GLU 37 HA GLU 37 10.777 3.317 -0.404 275 HB3 GLU 37 2HB GLU 37 8.118 2.151 0.442 276 HG3 GLU 37 2HG GLU 37 10.015 2.015 2.121 277 H TYR 38 H TYR 38 8.905 0.322 -0.861 278 HA TYR 38 HA TYR 38 11.015 -1.194 0.475 279 HB3 TYR 38 2HB TYR 38 9.452 -3.057 0.458 280 HD1 TYR 38 2HD TYR 38 10.195 -0.891 2.385 281 HD2 TYR 38 1HD TYR 38 6.425 -2.007 0.760 282 HE1 TYR 38 2HE TYR 38 9.075 0.017 4.377 283 HE2 TYR 38 1HE TYR 38 5.294 -1.100 2.747 284 HH TYR 38 HH TYR 38 7.143 0.250 5.458 285 H GLY 39 H GLY 39 9.440 -0.869 -2.663 286 HA2 GLY 39 2HA GLY 39 11.077 -1.152 -4.550 287 HA3 GLY 39 3HA GLY 39 11.481 -2.684 -3.791 288 H SER 40 H SER 40 10.889 -3.160 -6.197 289 HA SER 40 HA SER 40 8.132 -3.247 -6.887 290 HB3 SER 40 2HB SER 40 10.064 -3.261 -8.515 291 HG SER 40 HG SER 40 11.298 -4.904 -7.512 292 H GLU 41 H GLU 41 10.322 -5.448 -5.279 293 HA GLU 41 HA GLU 41 8.989 -7.852 -5.496 294 HB3 GLU 41 2HB GLU 41 10.080 -8.518 -3.450 295 HG3 GLU 41 2HG GLU 41 12.067 -6.533 -4.390 296 H PHE 42 H PHE 42 8.333 -5.157 -3.312 297 HA PHE 42 HA PHE 42 6.326 -6.478 -1.802 298 HB3 PHE 42 2HB PHE 42 6.878 -3.537 -2.232 299 HD1 PHE 42 2HD PHE 42 4.521 -2.880 -2.388 300 HD2 PHE 42 1HD PHE 42 6.020 -5.051 0.953 301 HE1 PHE 42 2HE PHE 42 2.512 -2.280 -1.101 302 HE2 PHE 42 1HE PHE 42 4.011 -4.455 2.244 303 HZ PHE 42 HZ PHE 42 2.255 -3.068 1.217 304 H THR 43 H THR 43 6.120 -4.061 -4.412 305 HA THR 43 HA THR 43 3.347 -3.982 -4.636 306 HB THR 43 HB THR 43 4.850 -3.781 -7.176 307 HG1 THR 43 1HG THR 43 5.415 -2.164 -4.904 308 HG21 THR 43 3HG2 THR 43 2.428 -2.920 -6.277 309 HG22 THR 43 1HG2 THR 43 3.286 -2.233 -7.657 310 HG23 THR 43 2HG2 THR 43 3.413 -1.471 -6.071 311 H LYS 44 H LYS 44 5.686 -6.163 -6.135 312 HA LYS 44 HA LYS 44 3.744 -7.508 -7.751 313 HB3 LYS 44 2HB LYS 44 5.612 -9.202 -8.027 314 HG3 LYS 44 2HG LYS 44 6.621 -6.423 -8.531 315 HD3 LYS 44 2HD LYS 44 7.826 -8.695 -9.115 316 HE3 LYS 44 2HE LYS 44 5.780 -8.360 -11.300 317 HZ1 LYS 44 3HZ LYS 44 8.009 -8.661 -12.248 318 HZ2 LYS 44 1HZ LYS 44 7.009 -9.995 -12.537 319 HZ3 LYS 44 2HZ LYS 44 8.203 -10.077 -11.343 320 H GLN 45 H GLN 45 5.303 -8.150 -4.643 321 HA GLN 45 HA GLN 45 4.299 -10.734 -4.234 322 HB3 GLN 45 2HB GLN 45 4.970 -8.621 -2.179 323 HG3 GLN 45 2HG GLN 45 3.739 -10.955 -1.618 324 HE21 GLN 45 1HE2 GLN 45 4.115 -13.045 -1.368 325 HE22 GLN 45 2HE2 GLN 45 5.663 -13.808 -1.445 326 H MET 46 H MET 46 2.920 -7.562 -3.577 327 HA MET 46 HA MET 46 0.490 -8.835 -2.533 328 HB3 MET 46 2HB MET 46 1.507 -7.056 -1.157 329 HG3 MET 46 2HG MET 46 1.928 -5.708 -3.517 330 HE1 MET 46 3HE MET 46 -0.053 -2.541 -1.335 331 HE2 MET 46 1HE MET 46 -1.138 -3.872 -0.933 332 HE3 MET 46 2HE MET 46 0.590 -4.016 -0.611 333 H TYR 47 H TYR 47 1.636 -8.078 -5.430 334 HA TYR 47 HA TYR 47 -0.862 -8.053 -6.715 335 HB3 TYR 47 2HB TYR 47 0.315 -5.454 -7.380 336 HD1 TYR 47 2HD TYR 47 -2.657 -7.088 -5.802 337 HD2 TYR 47 1HD TYR 47 -1.205 -4.329 -8.697 338 HE1 TYR 47 2HE TYR 47 -4.958 -6.705 -6.582 339 HE2 TYR 47 1HE TYR 47 -3.502 -3.938 -9.485 340 HH TYR 47 HH TYR 47 -6.001 -5.888 -8.908 341 H ASP 48 H ASP 48 0.341 -9.705 -7.779 342 HA ASP 48 HA ASP 48 2.519 -8.820 -9.520 343 HB3 ASP 48 2HB ASP 48 1.525 -11.650 -9.267 344 H GLY 49 H GLY 49 1.655 -7.815 -11.264 345 HA2 GLY 49 2HA GLY 49 0.861 -7.912 -13.463 346 HA3 GLY 49 3HA GLY 49 0.137 -9.474 -13.109 347 H ASN 50 H ASN 50 -0.284 -6.436 -11.345 348 HA ASN 50 HA ASN 50 -2.122 -5.169 -10.907 349 HB3 ASN 50 2HB ASN 50 -3.613 -4.697 -12.652 350 HD21 ASN 50 1HD2 ASN 50 -2.485 -6.352 -15.182 351 HD22 ASN 50 2HD2 ASN 50 -1.154 -5.353 -15.645 352 H ASN 51 H ASN 51 -1.911 -8.152 -10.240 353 HA ASN 51 HA ASN 51 -4.526 -8.331 -9.017 354 HB3 ASN 51 2HB ASN 51 -3.574 -10.534 -10.862 355 HD21 ASN 51 1HD2 ASN 51 -4.454 -12.430 -10.486 356 HD22 ASN 51 2HD2 ASN 51 -5.847 -12.731 -9.511 357 H LEU 52 H LEU 52 -4.649 -10.024 -7.399 358 HA LEU 52 HA LEU 52 -2.311 -10.213 -5.847 359 HB3 LEU 52 2HB LEU 52 -3.575 -11.468 -4.321 360 HG LEU 52 HG LEU 52 -5.709 -9.919 -5.786 361 HD11 LEU 52 1HD1 LEU 52 -6.943 -11.040 -4.255 362 HD12 LEU 52 2HD1 LEU 52 -6.358 -9.754 -3.200 363 HD13 LEU 52 3HD1 LEU 52 -5.566 -11.330 -3.190 364 HD21 LEU 52 3HD2 LEU 52 -3.393 -9.066 -4.222 365 HD22 LEU 52 1HD2 LEU 52 -4.925 -8.413 -3.642 366 HD23 LEU 52 2HD2 LEU 52 -4.430 -8.146 -5.314 367 H PHE 53 H PHE 53 -0.713 -11.672 -5.754 368 HA PHE 53 HA PHE 53 -0.546 -13.680 -7.803 369 HB3 PHE 53 2HB PHE 53 1.328 -13.018 -5.522 370 HD1 PHE 53 1HD PHE 53 1.890 -14.044 -9.034 371 HD2 PHE 53 2HD PHE 53 2.307 -15.055 -4.921 372 HE1 PHE 53 1HE PHE 53 3.298 -15.964 -9.652 373 HE2 PHE 53 2HE PHE 53 3.718 -16.976 -5.533 374 HZ PHE 53 HZ PHE 53 4.215 -17.433 -7.901 375 H LYS 54 H LYS 54 -0.085 -13.914 -4.274 376 HA LYS 54 HA LYS 54 -0.824 -16.722 -4.359 377 HB3 LYS 54 2HB LYS 54 0.051 -14.978 -2.047 378 HG3 LYS 54 2HG LYS 54 -1.224 -16.993 -1.343 379 HD3 LYS 54 2HD LYS 54 0.863 -18.895 -1.833 380 HE3 LYS 54 2HE LYS 54 -1.884 -18.849 -1.541 381 HZ1 LYS 54 3HZ LYS 54 -2.900 -19.440 -3.444 382 HZ2 LYS 54 1HZ LYS 54 -1.560 -20.275 -4.051 383 HZ3 LYS 54 2HZ LYS 54 -1.633 -18.589 -4.173 384 H ASN 55 H ASN 55 -1.878 -13.832 -2.551 385 HA ASN 55 HA ASN 55 -4.557 -13.978 -2.918 386 HB3 ASN 55 2HB ASN 55 -4.845 -15.188 -0.423 387 HD21 ASN 55 1HD2 ASN 55 -6.552 -14.413 -2.294 388 HD22 ASN 55 2HD2 ASN 55 -7.315 -15.764 -3.054 389 H VAL 56 H VAL 56 -2.470 -12.151 -2.237 390 HA VAL 56 HA VAL 56 -2.723 -11.235 0.438 391 HB VAL 56 HB VAL 56 -1.912 -9.516 -1.898 392 HG11 VAL 56 1HG1 VAL 56 -0.587 -8.338 -0.292 393 HG12 VAL 56 2HG1 VAL 56 -2.220 -8.492 0.359 394 HG13 VAL 56 3HG1 VAL 56 -0.931 -9.540 0.951 395 HG21 VAL 56 3HG2 VAL 56 -0.609 -11.906 -0.823 396 HG22 VAL 56 1HG2 VAL 56 -0.357 -11.066 -2.353 397 HG23 VAL 56 2HG2 VAL 56 0.433 -10.485 -0.887 398 H ILE 57 H ILE 57 -4.435 -10.305 1.325 399 HA ILE 57 HA ILE 57 -6.240 -8.736 -0.399 400 HB ILE 57 HB ILE 57 -6.942 -10.175 2.162 401 HG13 ILE 57 2HG1 ILE 57 -6.558 -11.255 -0.378 402 HG21 ILE 57 1HG2 ILE 57 -9.250 -9.587 0.729 403 HG22 ILE 57 2HG2 ILE 57 -8.685 -8.797 2.200 404 HG23 ILE 57 3HG2 ILE 57 -8.270 -8.125 0.624 405 HD11 ILE 57 3HD1 ILE 57 -6.998 -13.217 0.602 406 HD12 ILE 57 1HD1 ILE 57 -7.024 -12.259 2.083 407 HD13 ILE 57 2HD1 ILE 57 -8.535 -12.661 1.266 408 H ILE 58 H ILE 58 -5.843 -6.640 -0.109 409 HA ILE 58 HA ILE 58 -5.498 -5.662 2.651 410 HB ILE 58 HB ILE 58 -3.416 -5.226 1.721 411 HG13 ILE 58 2HG1 ILE 58 -4.615 -3.174 2.608 412 HG21 ILE 58 1HG2 ILE 58 -3.290 -4.124 -0.626 413 HG22 ILE 58 2HG2 ILE 58 -3.559 -5.861 -0.496 414 HG23 ILE 58 3HG2 ILE 58 -4.914 -4.781 -0.827 415 HD11 ILE 58 3HD1 ILE 58 -2.455 -2.569 2.508 416 HD12 ILE 58 1HD1 ILE 58 -2.259 -3.138 0.850 417 HD13 ILE 58 2HD1 ILE 58 -3.017 -1.578 1.163 418 H LEU 59 H LEU 59 -6.907 -4.173 3.326 419 HA LEU 59 HA LEU 59 -8.726 -3.001 1.334 420 HB3 LEU 59 2HB LEU 59 -10.051 -2.529 3.560 421 HG LEU 59 HG LEU 59 -11.205 -4.691 3.489 422 HD11 LEU 59 1HD1 LEU 59 -10.661 -3.949 0.648 423 HD12 LEU 59 2HD1 LEU 59 -11.439 -2.796 1.731 424 HD13 LEU 59 3HD1 LEU 59 -12.187 -4.365 1.427 425 HD21 LEU 59 3HD2 LEU 59 -10.375 -6.563 2.550 426 HD22 LEU 59 1HD2 LEU 59 -8.823 -5.775 2.834 427 HD23 LEU 59 2HD2 LEU 59 -9.580 -5.685 1.243 428 H VAL 60 H VAL 60 -9.538 -0.807 1.818 429 HA VAL 60 HA VAL 60 -7.556 0.836 3.248 430 HB VAL 60 HB VAL 60 -8.837 1.517 0.597 431 HG11 VAL 60 1HG1 VAL 60 -7.163 3.446 0.742 432 HG12 VAL 60 2HG1 VAL 60 -8.615 3.550 1.739 433 HG13 VAL 60 3HG1 VAL 60 -7.079 3.076 2.465 434 HG21 VAL 60 3HG2 VAL 60 -6.397 1.527 -0.136 435 HG22 VAL 60 1HG2 VAL 60 -6.062 0.656 1.360 436 HG23 VAL 60 2HG2 VAL 60 -7.138 -0.048 0.151 437 H ASN 61 H ASN 61 -8.451 2.021 4.792 438 HA ASN 61 HA ASN 61 -9.995 3.082 6.084 439 HB3 ASN 61 2HB ASN 61 -11.345 3.795 3.478 440 HD21 ASN 61 1HD2 ASN 61 -12.509 5.722 3.557 441 HD22 ASN 61 2HD2 ASN 61 -13.052 6.399 5.052 442 H GLY 62 H GLY 62 -10.472 0.273 5.271 443 HA2 GLY 62 2HA GLY 62 -12.073 -1.291 5.829 444 HA3 GLY 62 3HA GLY 62 -13.102 0.025 6.374 445 H ASN 63 H ASN 63 -11.783 -0.039 3.148 446 HA ASN 63 HA ASN 63 -13.997 -1.323 1.907 447 HB3 ASN 63 2HB ASN 63 -14.476 1.062 0.700 448 HD21 ASN 63 1HD2 ASN 63 -15.952 2.022 3.306 449 HD22 ASN 63 2HD2 ASN 63 -17.348 1.004 3.320 450 H ASN 64 H ASN 64 -13.128 -2.217 0.168 451 HA ASN 64 HA ASN 64 -10.611 -1.703 -0.844 452 HB3 ASN 64 2HB ASN 64 -12.782 -2.702 -2.659 453 HD21 ASN 64 1HD2 ASN 64 -11.560 -5.263 -2.764 454 HD22 ASN 64 2HD2 ASN 64 -10.055 -5.087 -3.594 455 H ILE 65 H ILE 65 -9.762 -0.136 -2.041 456 HA ILE 65 HA ILE 65 -11.178 2.140 -2.828 457 HB ILE 65 HB ILE 65 -9.182 2.785 -4.088 458 HG13 ILE 65 2HG1 ILE 65 -8.640 0.613 -5.076 459 HG21 ILE 65 1HG2 ILE 65 -9.378 2.394 -1.379 460 HG22 ILE 65 2HG2 ILE 65 -7.846 1.616 -1.775 461 HG23 ILE 65 3HG2 ILE 65 -8.111 3.309 -2.197 462 HD11 ILE 65 3HD1 ILE 65 -6.564 1.312 -5.334 463 HD12 ILE 65 1HD1 ILE 65 -6.698 2.312 -3.888 464 HD13 ILE 65 2HD1 ILE 65 -6.152 0.640 -3.757 465 H THR 66 H THR 66 -10.591 -0.863 -4.474 466 HA THR 66 HA THR 66 -11.021 -0.089 -7.126 467 HB THR 66 HB THR 66 -11.543 -2.401 -7.602 468 HG1 THR 66 1HG THR 66 -11.980 -2.545 -4.802 469 HG21 THR 66 3HG2 THR 66 -9.482 -3.227 -7.119 470 HG22 THR 66 1HG2 THR 66 -9.592 -2.800 -5.412 471 HG23 THR 66 2HG2 THR 66 -9.196 -1.564 -6.607 472 H SER 67 H SER 67 -13.242 -0.531 -4.494 473 HA SER 67 HA SER 67 -15.635 -1.026 -5.747 474 HB3 SER 67 2HB SER 67 -16.701 0.242 -3.883 475 HG SER 67 HG SER 67 -16.236 -1.694 -3.125 476 H MET 68 H MET 68 -13.993 2.089 -5.368 477 HA MET 68 HA MET 68 -15.844 3.210 -7.368 478 HB3 MET 68 2HB MET 68 -16.385 4.657 -5.730 479 HG3 MET 68 2HG MET 68 -13.773 4.099 -4.344 480 HE1 MET 68 3HE MET 68 -13.872 5.456 -1.257 481 HE2 MET 68 1HE MET 68 -15.538 4.972 -0.940 482 HE3 MET 68 2HE MET 68 -14.446 3.872 -1.782 483 H LYS 69 H LYS 69 -12.789 4.356 -5.959 484 HA LYS 69 HA LYS 69 -11.627 4.343 -8.665 485 HB3 LYS 69 2HB LYS 69 -10.300 6.394 -7.691 486 HG3 LYS 69 2HG LYS 69 -12.048 7.972 -8.451 487 HD3 LYS 69 2HD LYS 69 -11.990 5.663 -10.362 488 HE3 LYS 69 2HE LYS 69 -11.495 8.611 -10.761 489 HZ1 LYS 69 3HZ LYS 69 -10.608 7.384 -12.552 490 HZ2 LYS 69 1HZ LYS 69 -12.102 7.967 -13.091 491 HZ3 LYS 69 2HZ LYS 69 -11.945 6.349 -12.623 492 H GLY 70 H GLY 70 -9.676 3.414 -8.860 493 HA2 GLY 70 2HA GLY 70 -8.574 1.868 -6.805 494 HA3 GLY 70 3HA GLY 70 -7.752 2.300 -8.297 495 H LEU 71 H LEU 71 -6.210 3.875 -8.284 496 HA LEU 71 HA LEU 71 -5.132 4.599 -5.727 497 HB3 LEU 71 2HB LEU 71 -3.685 6.063 -7.469 498 HG LEU 71 HG LEU 71 -2.755 4.240 -6.048 499 HD11 LEU 71 1HD1 LEU 71 -2.514 2.014 -7.263 500 HD12 LEU 71 2HD1 LEU 71 -3.854 2.554 -8.275 501 HD13 LEU 71 3HD1 LEU 71 -4.081 2.372 -6.536 502 HD21 LEU 71 3HD2 LEU 71 -1.667 5.434 -8.168 503 HD22 LEU 71 1HD2 LEU 71 -1.630 3.768 -8.746 504 HD23 LEU 71 2HD2 LEU 71 -0.823 4.195 -7.237 505 H ASP 72 H ASP 72 -7.374 5.993 -7.869 506 HA ASP 72 HA ASP 72 -6.887 8.739 -7.204 507 HB3 ASP 72 2HB ASP 72 -9.489 8.629 -8.112 508 H THR 73 H THR 73 -8.148 6.200 -5.479 509 HA THR 73 HA THR 73 -10.365 7.307 -4.170 510 HB THR 73 HB THR 73 -8.589 5.021 -3.744 511 HG1 THR 73 1HG THR 73 -11.312 5.358 -3.001 512 HG21 THR 73 3HG2 THR 73 -9.323 4.723 -1.364 513 HG22 THR 73 1HG2 THR 73 -9.842 6.408 -1.375 514 HG23 THR 73 2HG2 THR 73 -8.140 6.008 -1.610 515 H GLU 74 H GLU 74 -10.563 8.852 -2.682 516 HA GLU 74 HA GLU 74 -8.224 10.244 -1.747 517 HB3 GLU 74 2HB GLU 74 -10.258 11.466 -2.384 518 HG3 GLU 74 2HG GLU 74 -12.015 11.472 -0.406 519 H ILE 75 H ILE 75 -7.637 10.577 0.436 520 HA ILE 75 HA ILE 75 -8.834 8.813 2.433 521 HB ILE 75 HB ILE 75 -6.488 8.170 3.187 522 HG13 ILE 75 2HG1 ILE 75 -5.251 9.786 1.825 523 HG21 ILE 75 1HG2 ILE 75 -7.130 6.986 0.517 524 HG22 ILE 75 2HG2 ILE 75 -6.574 6.189 1.988 525 HG23 ILE 75 3HG2 ILE 75 -8.233 6.777 1.876 526 HD11 ILE 75 3HD1 ILE 75 -4.397 7.333 0.454 527 HD12 ILE 75 1HD1 ILE 75 -3.469 8.488 1.410 528 HD13 ILE 75 2HD1 ILE 75 -4.438 7.253 2.215 529 H LYS 76 H LYS 76 -8.730 9.582 4.499 530 HA LYS 76 HA LYS 76 -7.448 12.212 4.839 531 HB3 LYS 76 2HB LYS 76 -9.146 12.493 6.709 532 HG3 LYS 76 2HG LYS 76 -11.108 12.850 5.178 533 HD3 LYS 76 2HD LYS 76 -9.804 14.516 3.701 534 HE3 LYS 76 2HE LYS 76 -9.859 14.492 6.696 535 HZ1 LYS 76 3HZ LYS 76 -9.072 16.876 5.133 536 HZ2 LYS 76 1HZ LYS 76 -7.919 15.838 5.809 537 HZ3 LYS 76 2HZ LYS 76 -9.014 16.650 6.809 538 H ASP 77 H ASP 77 -7.062 12.666 7.288 539 HA ASP 77 HA ASP 77 -5.020 10.994 8.173 540 HB3 ASP 77 2HB ASP 77 -5.552 13.422 8.846 541 H ASP 78 H ASP 78 -8.444 10.802 8.656 542 HA ASP 78 HA ASP 78 -8.322 9.008 10.897 543 HB3 ASP 78 2HB ASP 78 -10.585 9.766 9.041 544 H ASP 79 H ASP 79 -8.663 8.707 7.408 545 HA ASP 79 HA ASP 79 -9.420 6.057 7.184 546 HB3 ASP 79 2HB ASP 79 -7.993 6.145 5.019 547 H LYS 80 H LYS 80 -8.313 4.104 6.999 548 HA LYS 80 HA LYS 80 -5.468 4.065 7.660 549 HB3 LYS 80 2HB LYS 80 -6.639 3.915 9.819 550 HG3 LYS 80 2HG LYS 80 -7.815 1.337 8.803 551 HD3 LYS 80 2HD LYS 80 -8.104 2.835 11.407 552 HE3 LYS 80 2HE LYS 80 -9.348 0.201 10.650 553 HZ1 LYS 80 3HZ LYS 80 -8.934 1.165 13.076 554 HZ2 LYS 80 1HZ LYS 80 -10.293 0.237 12.683 555 HZ3 LYS 80 2HZ LYS 80 -10.410 1.922 12.744 556 H ILE 81 H ILE 81 -4.376 2.473 6.647 557 HA ILE 81 HA ILE 81 -5.958 0.592 5.035 558 HB ILE 81 HB ILE 81 -3.057 1.348 4.675 559 HG13 ILE 81 2HG1 ILE 81 -5.584 2.578 3.702 560 HG21 ILE 81 1HG2 ILE 81 -2.987 -0.345 3.245 561 HG22 ILE 81 2HG2 ILE 81 -4.677 -0.723 3.580 562 HG23 ILE 81 3HG2 ILE 81 -4.265 0.417 2.298 563 HD11 ILE 81 3HD1 ILE 81 -3.965 4.543 3.450 564 HD12 ILE 81 1HD1 ILE 81 -4.383 4.011 5.078 565 HD13 ILE 81 2HD1 ILE 81 -2.836 3.549 4.370 566 H ASP 82 H ASP 82 -5.824 -1.543 5.354 567 HA ASP 82 HA ASP 82 -3.719 -2.546 7.157 568 HB3 ASP 82 2HB ASP 82 -5.243 -3.952 8.268 569 H LEU 83 H LEU 83 -2.579 -4.253 6.462 570 HA LEU 83 HA LEU 83 -3.373 -5.454 3.900 571 HB3 LEU 83 2HB LEU 83 -0.704 -6.086 4.893 572 HG LEU 83 HG LEU 83 -1.597 -4.731 2.348 573 HD11 LEU 83 1HD1 LEU 83 1.008 -6.005 2.348 574 HD12 LEU 83 2HD1 LEU 83 0.915 -4.673 3.500 575 HD13 LEU 83 3HD1 LEU 83 0.534 -4.396 1.800 576 HD21 LEU 83 3HD2 LEU 83 -0.465 -7.235 1.840 577 HD22 LEU 83 1HD2 LEU 83 -2.164 -6.779 1.705 578 HD23 LEU 83 2HD2 LEU 83 -1.556 -7.479 3.205 579 H PHE 84 H PHE 84 -3.789 -7.580 3.717 580 HA PHE 84 HA PHE 84 -3.362 -9.262 6.099 581 HB3 PHE 84 2HB PHE 84 -5.491 -10.202 4.361 582 HD1 PHE 84 1HD PHE 84 -5.464 -8.196 7.500 583 HD2 PHE 84 2HD PHE 84 -6.103 -11.989 5.678 584 HE1 PHE 84 1HE PHE 84 -6.241 -9.096 9.654 585 HE2 PHE 84 2HE PHE 84 -6.882 -12.895 7.829 586 HZ PHE 84 HZ PHE 84 -6.953 -11.448 9.821 587 HA PRO 85 HA PRO 85 -0.939 -11.801 3.417 588 HB3 PRO 85 2HB PRO 85 0.134 -12.507 5.322 589 HG3 PRO 85 2HG PRO 85 -1.002 -12.685 7.343 590 HD3 PRO 85 2HD PRO 85 -1.624 -10.554 6.725 591 HA PRO 86 HA PRO 86 -3.594 -14.559 1.253 592 HB3 PRO 86 2HB PRO 86 -1.854 -14.951 -0.194 593 HG3 PRO 86 2HG PRO 86 0.335 -15.114 0.577 594 HD3 PRO 86 2HD PRO 86 -0.299 -13.145 1.594 595 H VAL 87 H VAL 87 -4.875 -16.362 1.506 596 HA VAL 87 HA VAL 87 -5.255 -17.450 4.012 597 HB VAL 87 HB VAL 87 -6.481 -19.317 2.815 598 HG11 VAL 87 1HG1 VAL 87 -7.022 -16.425 2.673 599 HG12 VAL 87 2HG1 VAL 87 -7.999 -17.441 1.611 600 HG13 VAL 87 3HG1 VAL 87 -7.993 -17.731 3.351 601 HG21 VAL 87 3HG2 VAL 87 -6.755 -19.214 0.447 602 HG22 VAL 87 1HG2 VAL 87 -5.843 -17.708 0.349 603 HG23 VAL 87 2HG2 VAL 87 -5.024 -19.210 0.777 604 H ALA 88 H ALA 88 -3.090 -18.482 1.473 605 HA ALA 88 HA ALA 88 -2.445 -20.974 2.817 606 HB1 ALA 88 1HB ALA 88 -0.857 -21.284 0.935 607 HB2 ALA 88 2HB ALA 88 -2.523 -21.025 0.416 608 HB3 ALA 88 3HB ALA 88 -1.351 -19.711 0.308 609 H GLY 89 H GLY 89 -0.317 -18.425 1.516 610 HA2 GLY 89 2HA GLY 89 0.982 -17.166 3.284 611 HA3 GLY 89 3HA GLY 89 1.354 -18.758 3.927 612 H GLY 90 H GLY 90 1.755 -16.675 1.094 613 HA2 GLY 90 2HA GLY 90 3.769 -16.339 -0.061 614 HA3 GLY 90 3HA GLY 90 4.440 -17.751 0.742 Start of MODEL 2 1 H1 MET 1 H MET 1 -2.869 11.867 6.519 2 HA MET 1 HA MET 1 -0.352 10.947 7.118 3 HB3 MET 1 2HB MET 1 -2.094 11.185 9.566 4 HG3 MET 1 2HG MET 1 -0.141 9.114 8.938 5 HE1 MET 1 3HE MET 1 0.353 10.887 13.156 6 HE2 MET 1 1HE MET 1 -0.894 11.442 12.038 7 HE3 MET 1 2HE MET 1 -0.936 9.791 12.656 8 H VAL 2 H VAL 2 -0.227 8.805 6.682 9 HA VAL 2 HA VAL 2 -2.766 7.312 6.547 10 HB VAL 2 HB VAL 2 -1.752 6.018 4.674 11 HG11 VAL 2 1HG1 VAL 2 -1.836 8.026 3.030 12 HG12 VAL 2 2HG1 VAL 2 -3.283 7.591 3.940 13 HG13 VAL 2 3HG1 VAL 2 -2.289 8.952 4.459 14 HG21 VAL 2 3HG2 VAL 2 0.165 7.846 3.736 15 HG22 VAL 2 1HG2 VAL 2 0.559 7.538 5.427 16 HG23 VAL 2 2HG2 VAL 2 0.431 6.195 4.291 17 H THR 3 H THR 3 -2.861 5.431 7.603 18 HA THR 3 HA THR 3 -0.345 4.321 8.667 19 HB THR 3 HB THR 3 -2.978 3.738 9.961 20 HG1 THR 3 1HG THR 3 -2.685 6.095 9.670 21 HG21 THR 3 3HG2 THR 3 -1.341 2.518 11.012 22 HG22 THR 3 1HG2 THR 3 -1.283 3.996 11.970 23 HG23 THR 3 2HG2 THR 3 -0.090 3.720 10.700 24 H VAL 4 H VAL 4 0.210 2.506 7.668 25 HA VAL 4 HA VAL 4 -1.892 0.774 6.570 26 HB VAL 4 HB VAL 4 1.054 0.510 6.016 27 HG11 VAL 4 1HG1 VAL 4 0.160 -1.359 5.107 28 HG12 VAL 4 2HG1 VAL 4 -1.449 -0.651 4.961 29 HG13 VAL 4 3HG1 VAL 4 -0.202 -0.261 3.776 30 HG21 VAL 4 3HG2 VAL 4 0.860 2.624 5.199 31 HG22 VAL 4 1HG2 VAL 4 0.215 1.747 3.812 32 HG23 VAL 4 2HG2 VAL 4 -0.884 2.495 4.969 33 H ARG 5 H ARG 5 -1.631 -1.556 6.770 34 HA ARG 5 HA ARG 5 -0.392 -2.288 9.339 35 HB3 ARG 5 2HB ARG 5 -2.055 -4.064 9.503 36 HG3 ARG 5 2HG ARG 5 -4.207 -2.602 9.290 37 HD3 ARG 5 2HD ARG 5 -2.076 -1.613 11.161 38 HE ARG 5 HE ARG 5 -4.931 -1.469 11.172 39 HH11 ARG 5 1HH1 ARG 5 -2.107 -1.672 13.197 40 HH12 ARG 5 2HH1 ARG 5 -2.870 -0.921 14.560 41 HH21 ARG 5 1HH2 ARG 5 -5.948 -0.480 12.959 42 HH22 ARG 5 2HH2 ARG 5 -5.055 -0.245 14.423 43 H TYR 6 H TYR 6 1.028 -3.949 9.434 44 HA TYR 6 HA TYR 6 1.440 -5.564 7.014 45 HB3 TYR 6 2HB TYR 6 3.909 -5.386 7.402 46 HD1 TYR 6 2HD TYR 6 1.906 -4.609 5.329 47 HD2 TYR 6 1HD TYR 6 4.550 -2.238 7.673 48 HE1 TYR 6 2HE TYR 6 1.908 -2.886 3.574 49 HE2 TYR 6 1HE TYR 6 4.558 -0.508 5.924 50 HH TYR 6 HH TYR 6 2.472 -0.748 3.093 51 H TYR 7 H TYR 7 2.053 -7.670 7.350 52 HA TYR 7 HA TYR 7 2.100 -8.553 10.160 53 HB3 TYR 7 2HB TYR 7 1.512 -10.734 8.429 54 HD1 TYR 7 2HD TYR 7 -0.394 -8.077 10.254 55 HD2 TYR 7 1HD TYR 7 0.474 -12.221 9.842 56 HE1 TYR 7 2HE TYR 7 -1.902 -8.573 12.132 57 HE2 TYR 7 1HE TYR 7 -1.032 -12.730 11.719 58 HH TYR 7 HH TYR 7 -1.883 -11.193 13.863 59 H ALA 8 H ALA 8 2.960 -11.103 9.907 60 HA ALA 8 HA ALA 8 5.729 -10.878 9.781 61 HB1 ALA 8 1HB ALA 8 3.794 -13.051 10.061 62 HB2 ALA 8 2HB ALA 8 5.321 -13.541 9.324 63 HB3 ALA 8 3HB ALA 8 5.315 -12.767 10.909 64 H THR 9 H THR 9 3.424 -11.377 7.257 65 HA THR 9 HA THR 9 5.209 -12.512 5.344 66 HB THR 9 HB THR 9 3.294 -11.368 3.797 67 HG1 THR 9 1HG THR 9 1.522 -10.963 4.916 68 HG21 THR 9 3HG2 THR 9 2.620 -13.501 3.472 69 HG22 THR 9 1HG2 THR 9 2.387 -13.800 5.194 70 HG23 THR 9 2HG2 THR 9 4.004 -13.884 4.495 71 H LEU 10 H LEU 10 4.246 -9.245 6.202 72 HA LEU 10 HA LEU 10 5.802 -8.125 4.002 73 HB3 LEU 10 2HB LEU 10 4.950 -5.943 4.904 74 HG LEU 10 HG LEU 10 2.739 -6.054 4.091 75 HD11 LEU 10 1HD1 LEU 10 3.997 -8.307 2.579 76 HD12 LEU 10 2HD1 LEU 10 4.706 -6.692 2.538 77 HD13 LEU 10 3HD1 LEU 10 3.052 -6.943 1.978 78 HD21 LEU 10 3HD2 LEU 10 1.314 -7.691 4.571 79 HD22 LEU 10 1HD2 LEU 10 2.598 -8.448 5.513 80 HD23 LEU 10 2HD2 LEU 10 2.360 -8.901 3.826 81 H ARG 11 H ARG 11 6.304 -9.107 7.152 82 HA ARG 11 HA ARG 11 7.881 -7.165 8.319 83 HB3 ARG 11 2HB ARG 11 7.698 -10.115 8.516 84 HG3 ARG 11 2HG ARG 11 10.065 -8.579 9.540 85 HD3 ARG 11 2HD ARG 11 10.550 -10.770 10.754 86 HE ARG 11 HE ARG 11 8.785 -8.690 11.672 87 HH11 ARG 11 1HH1 ARG 11 10.420 -11.648 12.506 88 HH12 ARG 11 2HH1 ARG 11 10.401 -11.332 14.208 89 HH21 ARG 11 1HH2 ARG 11 8.754 -8.261 13.912 90 HH22 ARG 11 2HH2 ARG 11 9.453 -9.405 15.008 91 HA PRO 12 HA PRO 12 11.769 -9.018 6.124 92 HB3 PRO 12 2HB PRO 12 11.523 -11.280 5.807 93 HG3 PRO 12 2HG PRO 12 9.441 -12.208 5.348 94 HD3 PRO 12 2HD PRO 12 8.908 -10.930 7.191 95 H ILE 13 H ILE 13 8.933 -7.891 4.666 96 HA ILE 13 HA ILE 13 10.251 -7.114 2.179 97 HB ILE 13 HB ILE 13 7.419 -6.455 2.958 98 HG13 ILE 13 2HG1 ILE 13 7.631 -8.853 3.205 99 HG21 ILE 13 1HG2 ILE 13 8.601 -6.917 0.231 100 HG22 ILE 13 2HG2 ILE 13 7.047 -6.187 0.635 101 HG23 ILE 13 3HG2 ILE 13 8.545 -5.332 1.002 102 HD11 ILE 13 3HD1 ILE 13 5.746 -9.250 2.128 103 HD12 ILE 13 1HD1 ILE 13 5.933 -7.703 1.303 104 HD13 ILE 13 2HD1 ILE 13 6.571 -9.175 0.571 105 H THR 14 H THR 14 8.097 -5.394 4.443 106 HA THR 14 HA THR 14 9.052 -2.834 3.736 107 HB THR 14 HB THR 14 6.857 -3.084 4.737 108 HG1 THR 14 1HG THR 14 8.461 -1.693 6.627 109 HG21 THR 14 3HG2 THR 14 8.338 -4.597 6.723 110 HG22 THR 14 1HG2 THR 14 6.612 -4.598 6.363 111 HG23 THR 14 2HG2 THR 14 7.282 -3.392 7.461 112 H LYS 15 H LYS 15 10.383 -5.257 5.703 113 HA LYS 15 HA LYS 15 12.214 -5.357 7.050 114 HB3 LYS 15 2HB LYS 15 13.979 -3.665 6.693 115 HG3 LYS 15 2HG LYS 15 12.623 -4.816 4.288 116 HD3 LYS 15 2HD LYS 15 13.881 -2.568 3.862 117 HE3 LYS 15 2HE LYS 15 16.086 -4.510 4.456 118 HZ1 LYS 15 3HZ LYS 15 17.586 -2.974 3.294 119 HZ2 LYS 15 1HZ LYS 15 16.252 -2.145 2.666 120 HZ3 LYS 15 2HZ LYS 15 16.529 -3.756 2.232 121 H LYS 16 H LYS 16 9.725 -3.985 7.941 122 HA LYS 16 HA LYS 16 10.765 -2.993 10.435 123 HB3 LYS 16 2HB LYS 16 8.881 -1.046 9.274 124 HG3 LYS 16 2HG LYS 16 10.052 -0.776 11.472 125 HD3 LYS 16 2HD LYS 16 12.263 -1.630 10.641 126 HE3 LYS 16 2HE LYS 16 12.077 0.911 9.106 127 HZ1 LYS 16 3HZ LYS 16 14.549 -0.139 10.344 128 HZ2 LYS 16 1HZ LYS 16 13.969 1.451 10.340 129 HZ3 LYS 16 2HZ LYS 16 14.583 0.771 8.919 130 H LYS 17 H LYS 17 8.881 -2.278 11.886 131 HA LYS 17 HA LYS 17 6.906 -4.365 11.809 132 HB3 LYS 17 2HB LYS 17 6.066 -3.101 13.899 133 HG3 LYS 17 2HG LYS 17 8.687 -4.478 13.631 134 HD3 LYS 17 2HD LYS 17 8.987 -2.641 15.318 135 HE3 LYS 17 2HE LYS 17 6.738 -4.145 16.626 136 HZ1 LYS 17 3HZ LYS 17 8.842 -2.488 17.872 137 HZ2 LYS 17 1HZ LYS 17 8.241 -3.989 18.373 138 HZ3 LYS 17 2HZ LYS 17 7.297 -2.596 18.554 139 H GLU 18 H GLU 18 6.302 -0.936 12.495 140 HA GLU 18 HA GLU 18 4.463 -0.701 10.279 141 HB3 GLU 18 2HB GLU 18 3.231 -0.097 12.920 142 HG3 GLU 18 2HG GLU 18 2.166 0.269 10.612 143 H GLU 19 H GLU 19 4.022 1.412 9.728 144 HA GLU 19 HA GLU 19 4.718 3.583 11.499 145 HB3 GLU 19 2HB GLU 19 6.170 3.590 8.882 146 HG3 GLU 19 2HG GLU 19 6.203 5.634 10.184 147 H THR 20 H THR 20 4.259 5.712 10.506 148 HA THR 20 HA THR 20 2.077 5.468 8.545 149 HB THR 20 HB THR 20 1.459 7.804 9.465 150 HG1 THR 20 1HG THR 20 3.001 6.829 11.657 151 HG21 THR 20 3HG2 THR 20 1.151 5.250 11.033 152 HG22 THR 20 1HG2 THR 20 0.014 5.971 9.895 153 HG23 THR 20 2HG2 THR 20 0.308 6.739 11.455 154 H PHE 21 H PHE 21 1.775 7.321 7.080 155 HA PHE 21 HA PHE 21 4.300 8.690 6.439 156 HB3 PHE 21 2HB PHE 21 3.214 8.406 3.976 157 HD1 PHE 21 2HD PHE 21 5.623 8.832 3.733 158 HD2 PHE 21 1HD PHE 21 4.141 5.145 5.258 159 HE1 PHE 21 2HE PHE 21 7.813 7.788 3.327 160 HE2 PHE 21 1HE PHE 21 6.329 4.095 4.856 161 HZ PHE 21 HZ PHE 21 8.168 5.416 3.887 162 H ASN 22 H ASN 22 4.134 10.774 5.675 163 HA ASN 22 HA ASN 22 1.419 11.916 5.587 164 HB3 ASN 22 2HB ASN 22 2.653 12.525 7.669 165 HD21 ASN 22 1HD2 ASN 22 4.718 12.220 8.200 166 HD22 ASN 22 2HD2 ASN 22 6.046 13.141 7.588 167 H GLY 23 H GLY 23 1.080 13.656 4.151 168 HA2 GLY 23 2HA GLY 23 2.573 15.189 2.632 169 HA3 GLY 23 3HA GLY 23 2.942 13.640 1.889 170 H ILE 24 H ILE 24 1.086 12.386 1.058 171 HA ILE 24 HA ILE 24 -0.998 14.197 0.028 172 HB ILE 24 HB ILE 24 0.132 11.711 -1.264 173 HG13 ILE 24 2HG1 ILE 24 0.957 13.303 -2.979 174 HG21 ILE 24 1HG2 ILE 24 -1.297 12.963 -3.194 175 HG22 ILE 24 2HG2 ILE 24 -1.907 11.638 -2.205 176 HG23 ILE 24 3HG2 ILE 24 -2.282 13.306 -1.771 177 HD11 ILE 24 3HD1 ILE 24 0.947 15.661 -1.343 178 HD12 ILE 24 1HD1 ILE 24 0.461 15.456 -3.027 179 HD13 ILE 24 2HD1 ILE 24 -0.699 15.161 -1.730 180 H SER 25 H SER 25 -3.124 13.538 0.035 181 HA SER 25 HA SER 25 -3.708 11.237 1.758 182 HB3 SER 25 2HB SER 25 -6.081 12.395 1.645 183 HG SER 25 HG SER 25 -4.989 12.346 3.566 184 H LYS 26 H LYS 26 -3.007 10.271 -0.565 185 HA LYS 26 HA LYS 26 -5.497 9.261 -1.670 186 HB3 LYS 26 2HB LYS 26 -3.468 10.105 -3.684 187 HG3 LYS 26 2HG LYS 26 -6.406 9.644 -3.618 188 HD3 LYS 26 2HD LYS 26 -6.311 10.689 -6.004 189 HE3 LYS 26 2HE LYS 26 -6.333 12.571 -3.653 190 HZ1 LYS 26 3HZ LYS 26 -7.926 12.543 -6.159 191 HZ2 LYS 26 1HZ LYS 26 -6.608 13.560 -5.859 192 HZ3 LYS 26 2HZ LYS 26 -8.015 13.702 -4.931 193 H ILE 27 H ILE 27 -5.194 7.337 -2.978 194 HA ILE 27 HA ILE 27 -3.131 5.657 -1.915 195 HB ILE 27 HB ILE 27 -5.181 5.116 -4.066 196 HG13 ILE 27 2HG1 ILE 27 -6.410 3.948 -2.337 197 HG21 ILE 27 1HG2 ILE 27 -4.652 2.738 -3.675 198 HG22 ILE 27 2HG2 ILE 27 -3.292 3.637 -4.343 199 HG23 ILE 27 3HG2 ILE 27 -3.321 3.228 -2.628 200 HD11 ILE 27 3HD1 ILE 27 -3.928 4.158 -0.845 201 HD12 ILE 27 1HD1 ILE 27 -5.338 4.671 0.082 202 HD13 ILE 27 2HD1 ILE 27 -5.292 3.060 -0.635 203 H SER 28 H SER 28 -3.521 7.570 -4.760 204 HA SER 28 HA SER 28 -1.820 6.230 -6.534 205 HB3 SER 28 2HB SER 28 -2.862 9.001 -6.271 206 HG SER 28 HG SER 28 -0.949 8.511 -8.263 207 H GLU 29 H GLU 29 -1.086 8.956 -4.354 208 HA GLU 29 HA GLU 29 1.728 8.796 -4.856 209 HB3 GLU 29 2HB GLU 29 0.240 10.246 -2.659 210 HG3 GLU 29 2HG GLU 29 2.409 10.392 -1.935 211 H LEU 30 H LEU 30 -0.467 7.513 -2.459 212 HA LEU 30 HA LEU 30 1.382 6.799 -0.478 213 HB3 LEU 30 2HB LEU 30 -1.237 5.541 -1.280 214 HG LEU 30 HG LEU 30 0.478 4.238 0.367 215 HD11 LEU 30 1HD1 LEU 30 0.601 5.154 2.379 216 HD12 LEU 30 2HD1 LEU 30 -1.148 5.001 2.546 217 HD13 LEU 30 3HD1 LEU 30 -0.454 6.472 1.867 218 HD21 LEU 30 3HD2 LEU 30 -1.349 2.904 0.948 219 HD22 LEU 30 1HD2 LEU 30 -1.817 3.622 -0.593 220 HD23 LEU 30 2HD2 LEU 30 -2.473 4.265 0.913 221 H LEU 31 H LEU 31 0.079 4.878 -3.179 222 HA LEU 31 HA LEU 31 1.749 2.628 -2.646 223 HB3 LEU 31 2HB LEU 31 1.050 2.109 -5.115 224 HG LEU 31 HG LEU 31 -1.087 2.257 -2.989 225 HD11 LEU 31 1HD1 LEU 31 -1.626 0.121 -4.624 226 HD12 LEU 31 2HD1 LEU 31 -1.091 1.358 -5.760 227 HD13 LEU 31 3HD1 LEU 31 -2.438 1.686 -4.670 228 HD21 LEU 31 3HD2 LEU 31 0.889 0.103 -3.724 229 HD22 LEU 31 1HD2 LEU 31 -0.520 -0.154 -2.693 230 HD23 LEU 31 2HD2 LEU 31 0.753 0.956 -2.185 231 H GLU 32 H GLU 32 2.023 5.494 -4.630 232 HA GLU 32 HA GLU 32 4.125 4.682 -6.302 233 HB3 GLU 32 2HB GLU 32 3.587 7.467 -5.254 234 HG3 GLU 32 2HG GLU 32 5.736 7.076 -6.537 235 H ARG 33 H ARG 33 4.211 6.449 -3.211 236 HA ARG 33 HA ARG 33 7.067 6.428 -3.074 237 HB3 ARG 33 2HB ARG 33 5.821 8.192 -1.977 238 HG3 ARG 33 2HG ARG 33 4.866 6.452 0.213 239 HD3 ARG 33 2HD ARG 33 3.097 8.108 0.311 240 HE ARG 33 HE ARG 33 5.763 8.821 0.696 241 HH11 ARG 33 1HH1 ARG 33 2.690 10.356 0.127 242 HH12 ARG 33 2HH1 ARG 33 3.110 11.807 0.977 243 HH21 ARG 33 1HH2 ARG 33 6.328 10.726 1.817 244 HH22 ARG 33 2HH2 ARG 33 5.180 12.016 1.937 245 H LEU 34 H LEU 34 4.481 4.543 -1.558 246 HA LEU 34 HA LEU 34 6.101 3.013 0.152 247 HB3 LEU 34 2HB LEU 34 4.160 1.332 -0.083 248 HG LEU 34 HG LEU 34 3.419 4.120 0.804 249 HD11 LEU 34 1HD1 LEU 34 1.625 3.187 1.951 250 HD12 LEU 34 2HD1 LEU 34 2.265 1.549 1.819 251 HD13 LEU 34 3HD1 LEU 34 1.597 2.352 0.398 252 HD21 LEU 34 3HD2 LEU 34 3.956 2.386 2.969 253 HD22 LEU 34 1HD2 LEU 34 4.830 3.841 2.491 254 HD23 LEU 34 2HD2 LEU 34 5.317 2.270 1.853 255 H LYS 35 H LYS 35 5.326 2.697 -3.240 256 HA LYS 35 HA LYS 35 6.115 0.035 -3.639 257 HB3 LYS 35 2HB LYS 35 5.979 2.441 -5.433 258 HG3 LYS 35 2HG LYS 35 7.201 -0.189 -6.048 259 HD3 LYS 35 2HD LYS 35 5.881 1.329 -8.254 260 HE3 LYS 35 2HE LYS 35 5.724 -1.159 -9.031 261 HZ1 LYS 35 3HZ LYS 35 7.646 -0.862 -10.211 262 HZ2 LYS 35 1HZ LYS 35 8.490 -0.182 -8.913 263 HZ3 LYS 35 2HZ LYS 35 7.337 0.734 -9.743 264 H VAL 36 H VAL 36 7.966 3.054 -3.992 265 HA VAL 36 HA VAL 36 10.420 1.678 -4.548 266 HB VAL 36 HB VAL 36 10.059 4.561 -3.725 267 HG11 VAL 36 1HG1 VAL 36 12.189 4.212 -5.531 268 HG12 VAL 36 2HG1 VAL 36 12.275 4.653 -3.825 269 HG13 VAL 36 3HG1 VAL 36 12.356 2.958 -4.305 270 HG21 VAL 36 3HG2 VAL 36 10.235 4.933 -6.245 271 HG22 VAL 36 1HG2 VAL 36 9.843 3.220 -6.404 272 HG23 VAL 36 2HG2 VAL 36 8.702 4.318 -5.627 273 H GLU 37 H GLU 37 8.916 3.126 -1.715 274 HA GLU 37 HA GLU 37 11.039 3.235 0.038 275 HB3 GLU 37 2HB GLU 37 9.151 2.521 1.761 276 HG3 GLU 37 2HG GLU 37 8.248 4.760 1.778 277 H TYR 38 H TYR 38 8.889 0.463 -0.557 278 HA TYR 38 HA TYR 38 10.646 -1.259 1.006 279 HB3 TYR 38 2HB TYR 38 8.923 -2.893 0.906 280 HD1 TYR 38 2HD TYR 38 9.351 -0.744 2.813 281 HD2 TYR 38 1HD TYR 38 6.025 -1.459 0.258 282 HE1 TYR 38 2HE TYR 38 7.894 0.471 4.379 283 HE2 TYR 38 1HE TYR 38 4.559 -0.245 1.816 284 HH TYR 38 HH TYR 38 5.855 1.268 4.755 285 H GLY 39 H GLY 39 9.569 -0.789 -2.318 286 HA2 GLY 39 2HA GLY 39 11.300 -1.226 -4.029 287 HA3 GLY 39 3HA GLY 39 11.644 -2.717 -3.165 288 H SER 40 H SER 40 11.130 -2.810 -5.839 289 HA SER 40 HA SER 40 8.512 -3.109 -6.680 290 HB3 SER 40 2HB SER 40 9.517 -4.815 -8.325 291 HG SER 40 HG SER 40 11.162 -2.684 -8.617 292 H GLU 41 H GLU 41 10.506 -5.272 -4.795 293 HA GLU 41 HA GLU 41 9.189 -7.676 -5.065 294 HB3 GLU 41 2HB GLU 41 9.779 -7.784 -2.447 295 HG3 GLU 41 2HG GLU 41 12.168 -8.249 -3.074 296 H PHE 42 H PHE 42 8.369 -4.968 -2.929 297 HA PHE 42 HA PHE 42 6.152 -6.245 -1.706 298 HB3 PHE 42 2HB PHE 42 6.854 -3.317 -1.979 299 HD1 PHE 42 2HD PHE 42 4.553 -2.568 -2.378 300 HD2 PHE 42 1HD PHE 42 5.590 -4.882 1.042 301 HE1 PHE 42 2HE PHE 42 2.433 -1.928 -1.306 302 HE2 PHE 42 1HE PHE 42 3.471 -4.246 2.119 303 HZ PHE 42 HZ PHE 42 1.890 -2.766 0.945 304 H THR 43 H THR 43 6.390 -3.852 -4.325 305 HA THR 43 HA THR 43 3.678 -3.550 -4.851 306 HB THR 43 HB THR 43 5.608 -3.571 -7.135 307 HG1 THR 43 1HG THR 43 6.873 -2.526 -5.684 308 HG21 THR 43 3HG2 THR 43 4.215 -2.024 -8.052 309 HG22 THR 43 1HG2 THR 43 3.825 -1.291 -6.496 310 HG23 THR 43 2HG2 THR 43 3.050 -2.800 -6.978 311 H LYS 44 H LYS 44 5.968 -5.939 -6.107 312 HA LYS 44 HA LYS 44 4.052 -7.186 -7.831 313 HB3 LYS 44 2HB LYS 44 5.812 -9.002 -7.957 314 HG3 LYS 44 2HG LYS 44 6.798 -6.202 -8.464 315 HD3 LYS 44 2HD LYS 44 7.724 -8.912 -9.365 316 HE3 LYS 44 2HE LYS 44 7.963 -6.278 -10.780 317 HZ1 LYS 44 3HZ LYS 44 10.215 -7.050 -10.468 318 HZ2 LYS 44 1HZ LYS 44 9.759 -7.268 -12.083 319 HZ3 LYS 44 2HZ LYS 44 9.808 -8.592 -11.031 320 H GLN 45 H GLN 45 5.504 -8.045 -4.700 321 HA GLN 45 HA GLN 45 4.136 -10.464 -4.342 322 HB3 GLN 45 2HB GLN 45 4.987 -8.603 -2.125 323 HG3 GLN 45 2HG GLN 45 3.751 -10.829 -1.679 324 HE21 GLN 45 1HE2 GLN 45 3.924 -13.021 -1.490 325 HE22 GLN 45 2HE2 GLN 45 5.176 -13.945 -2.242 326 H MET 46 H MET 46 3.077 -7.206 -4.084 327 HA MET 46 HA MET 46 0.583 -8.096 -2.794 328 HB3 MET 46 2HB MET 46 0.261 -5.794 -2.058 329 HG3 MET 46 2HG MET 46 2.102 -5.506 -0.516 330 HE1 MET 46 3HE MET 46 3.586 -8.466 -0.687 331 HE2 MET 46 1HE MET 46 3.100 -9.009 0.920 332 HE3 MET 46 2HE MET 46 2.476 -9.826 -0.513 333 H TYR 47 H TYR 47 1.758 -7.621 -5.737 334 HA TYR 47 HA TYR 47 -0.740 -7.341 -6.989 335 HB3 TYR 47 2HB TYR 47 0.837 -4.916 -7.655 336 HD1 TYR 47 2HD TYR 47 -2.520 -6.002 -6.398 337 HD2 TYR 47 1HD TYR 47 -0.317 -3.821 -9.312 338 HE1 TYR 47 2HE TYR 47 -4.623 -5.375 -7.510 339 HE2 TYR 47 1HE TYR 47 -2.412 -3.188 -10.432 340 HH TYR 47 HH TYR 47 -5.148 -3.071 -9.285 341 H ASP 48 H ASP 48 -0.032 -9.042 -8.227 342 HA ASP 48 HA ASP 48 2.402 -8.732 -9.805 343 HB3 ASP 48 2HB ASP 48 0.536 -11.043 -9.300 344 H GLY 49 H GLY 49 1.800 -7.149 -11.294 345 HA2 GLY 49 2HA GLY 49 1.228 -6.761 -13.541 346 HA3 GLY 49 3HA GLY 49 0.165 -8.160 -13.489 347 H ASN 50 H ASN 50 -1.959 -7.922 -12.859 348 HA ASN 50 HA ASN 50 -2.845 -5.156 -12.360 349 HB3 ASN 50 2HB ASN 50 -4.662 -7.078 -13.744 350 HD21 ASN 50 1HD2 ASN 50 -3.160 -3.864 -13.877 351 HD22 ASN 50 2HD2 ASN 50 -4.634 -3.000 -14.136 352 H ASN 51 H ASN 51 -2.597 -8.181 -11.086 353 HA ASN 51 HA ASN 51 -4.555 -7.585 -9.033 354 HB3 ASN 51 2HB ASN 51 -5.401 -10.037 -9.247 355 HD21 ASN 51 1HD2 ASN 51 -7.229 -8.950 -8.674 356 HD22 ASN 51 2HD2 ASN 51 -8.236 -8.119 -9.806 357 H LEU 52 H LEU 52 -4.396 -9.120 -7.195 358 HA LEU 52 HA LEU 52 -1.822 -9.386 -6.255 359 HB3 LEU 52 2HB LEU 52 -2.720 -10.865 -4.550 360 HG LEU 52 HG LEU 52 -4.081 -9.422 -3.472 361 HD11 LEU 52 1HD1 LEU 52 -3.631 -7.569 -5.783 362 HD12 LEU 52 2HD1 LEU 52 -2.292 -8.123 -4.779 363 HD13 LEU 52 3HD1 LEU 52 -3.620 -7.217 -4.054 364 HD21 LEU 52 3HD2 LEU 52 -6.194 -9.230 -4.116 365 HD22 LEU 52 1HD2 LEU 52 -5.772 -9.922 -5.683 366 HD23 LEU 52 2HD2 LEU 52 -5.712 -8.175 -5.447 367 H PHE 53 H PHE 53 -0.458 -11.213 -5.895 368 HA PHE 53 HA PHE 53 -0.289 -12.935 -8.189 369 HB3 PHE 53 2HB PHE 53 1.381 -12.723 -5.680 370 HD1 PHE 53 1HD PHE 53 1.317 -14.224 -9.094 371 HD2 PHE 53 2HD PHE 53 2.883 -14.370 -5.138 372 HE1 PHE 53 1HE PHE 53 2.513 -16.301 -9.648 373 HE2 PHE 53 2HE PHE 53 4.084 -16.447 -5.688 374 HZ PHE 53 HZ PHE 53 3.900 -17.414 -7.945 375 H LYS 54 H LYS 54 -0.286 -13.681 -4.700 376 HA LYS 54 HA LYS 54 -1.271 -16.353 -5.256 377 HB3 LYS 54 2HB LYS 54 -0.561 -15.001 -2.645 378 HG3 LYS 54 2HG LYS 54 -2.151 -16.976 -2.485 379 HD3 LYS 54 2HD LYS 54 -0.490 -19.107 -2.511 380 HE3 LYS 54 2HE LYS 54 -1.505 -19.630 -4.774 381 HZ1 LYS 54 3HZ LYS 54 -2.675 -20.284 -2.817 382 HZ2 LYS 54 1HZ LYS 54 -3.803 -19.628 -3.894 383 HZ3 LYS 54 2HZ LYS 54 -3.271 -18.721 -2.568 384 H ASN 55 H ASN 55 -2.301 -13.635 -3.186 385 HA ASN 55 HA ASN 55 -4.891 -13.395 -3.908 386 HB3 ASN 55 2HB ASN 55 -5.694 -14.943 -1.743 387 HD21 ASN 55 1HD2 ASN 55 -5.871 -17.446 -3.335 388 HD22 ASN 55 2HD2 ASN 55 -7.042 -17.113 -4.561 389 H VAL 56 H VAL 56 -3.063 -11.720 -2.855 390 HA VAL 56 HA VAL 56 -3.250 -11.299 -0.066 391 HB VAL 56 HB VAL 56 -2.700 -9.148 -2.103 392 HG11 VAL 56 1HG1 VAL 56 -1.405 -8.129 -0.369 393 HG12 VAL 56 2HG1 VAL 56 -2.991 -8.523 0.297 394 HG13 VAL 56 3HG1 VAL 56 -1.598 -9.537 0.675 395 HG21 VAL 56 3HG2 VAL 56 -1.195 -10.739 -2.828 396 HG22 VAL 56 1HG2 VAL 56 -0.250 -9.894 -1.601 397 HG23 VAL 56 2HG2 VAL 56 -1.004 -11.442 -1.222 398 H ILE 57 H ILE 57 -4.582 -10.039 1.156 399 HA ILE 57 HA ILE 57 -6.849 -8.763 -0.230 400 HB ILE 57 HB ILE 57 -6.937 -10.192 2.429 401 HG13 ILE 57 2HG1 ILE 57 -6.824 -11.482 0.131 402 HG21 ILE 57 1HG2 ILE 57 -9.519 -9.728 1.452 403 HG22 ILE 57 2HG2 ILE 57 -8.743 -8.968 2.839 404 HG23 ILE 57 3HG2 ILE 57 -8.647 -8.209 1.250 405 HD11 ILE 57 3HD1 ILE 57 -7.738 -13.287 1.121 406 HD12 ILE 57 1HD1 ILE 57 -7.640 -12.256 2.548 407 HD13 ILE 57 2HD1 ILE 57 -9.163 -12.405 1.670 408 H ILE 58 H ILE 58 -6.505 -6.638 -0.079 409 HA ILE 58 HA ILE 58 -5.813 -5.541 2.567 410 HB ILE 58 HB ILE 58 -3.903 -4.988 1.425 411 HG13 ILE 58 2HG1 ILE 58 -5.326 -2.934 2.126 412 HG21 ILE 58 1HG2 ILE 58 -3.962 -4.249 -1.012 413 HG22 ILE 58 2HG2 ILE 58 -4.296 -5.948 -0.681 414 HG23 ILE 58 3HG2 ILE 58 -5.623 -4.841 -1.032 415 HD11 ILE 58 3HD1 ILE 58 -2.966 -2.837 0.301 416 HD12 ILE 58 1HD1 ILE 58 -3.746 -1.350 0.838 417 HD13 ILE 58 2HD1 ILE 58 -3.069 -2.467 2.023 418 H LEU 59 H LEU 59 -7.055 -3.915 3.331 419 HA LEU 59 HA LEU 59 -9.143 -2.853 1.544 420 HB3 LEU 59 2HB LEU 59 -10.434 -2.580 3.764 421 HG LEU 59 HG LEU 59 -10.039 -5.278 2.498 422 HD11 LEU 59 1HD1 LEU 59 -12.280 -5.698 3.793 423 HD12 LEU 59 2HD1 LEU 59 -11.603 -4.519 4.915 424 HD13 LEU 59 3HD1 LEU 59 -10.721 -6.004 4.561 425 HD21 LEU 59 3HD2 LEU 59 -12.245 -3.224 2.426 426 HD22 LEU 59 1HD2 LEU 59 -12.345 -4.829 1.702 427 HD23 LEU 59 2HD2 LEU 59 -11.158 -3.667 1.108 428 H VAL 60 H VAL 60 -9.665 -0.683 1.713 429 HA VAL 60 HA VAL 60 -7.766 0.937 3.277 430 HB VAL 60 HB VAL 60 -9.233 1.666 0.739 431 HG11 VAL 60 1HG1 VAL 60 -7.332 3.560 1.037 432 HG12 VAL 60 2HG1 VAL 60 -9.001 3.746 1.582 433 HG13 VAL 60 3HG1 VAL 60 -7.747 3.257 2.724 434 HG21 VAL 60 3HG2 VAL 60 -6.885 1.769 -0.175 435 HG22 VAL 60 1HG2 VAL 60 -6.362 0.956 1.300 436 HG23 VAL 60 2HG2 VAL 60 -7.484 0.154 0.201 437 H ASN 61 H ASN 61 -8.571 2.064 4.914 438 HA ASN 61 HA ASN 61 -10.052 3.012 6.362 439 HB3 ASN 61 2HB ASN 61 -11.536 3.858 3.868 440 HD21 ASN 61 1HD2 ASN 61 -12.979 5.453 4.167 441 HD22 ASN 61 2HD2 ASN 61 -13.364 6.150 5.700 442 H GLY 62 H GLY 62 -10.518 0.271 5.747 443 HA2 GLY 62 2HA GLY 62 -12.092 -1.315 6.298 444 HA3 GLY 62 3HA GLY 62 -13.149 -0.005 6.804 445 H ASN 63 H ASN 63 -11.747 -0.575 3.602 446 HA ASN 63 HA ASN 63 -13.963 -1.788 2.411 447 HB3 ASN 63 2HB ASN 63 -14.332 0.652 1.116 448 HD21 ASN 63 1HD2 ASN 63 -15.587 -1.696 1.071 449 HD22 ASN 63 2HD2 ASN 63 -17.167 -1.573 1.758 450 H ASN 64 H ASN 64 -13.564 -2.318 0.289 451 HA ASN 64 HA ASN 64 -10.875 -1.993 -0.618 452 HB3 ASN 64 2HB ASN 64 -11.913 -4.072 -1.120 453 HD21 ASN 64 1HD2 ASN 64 -13.980 -4.140 -0.118 454 HD22 ASN 64 2HD2 ASN 64 -15.418 -3.988 -1.066 455 H ILE 65 H ILE 65 -10.053 -0.490 -1.919 456 HA ILE 65 HA ILE 65 -11.414 1.814 -2.660 457 HB ILE 65 HB ILE 65 -9.523 2.300 -4.155 458 HG13 ILE 65 2HG1 ILE 65 -9.171 0.059 -5.068 459 HG21 ILE 65 1HG2 ILE 65 -8.024 2.672 -2.460 460 HG22 ILE 65 2HG2 ILE 65 -9.487 2.352 -1.531 461 HG23 ILE 65 3HG2 ILE 65 -8.279 1.084 -1.738 462 HD11 ILE 65 3HD1 ILE 65 -7.090 0.620 -5.531 463 HD12 ILE 65 1HD1 ILE 65 -7.055 1.707 -4.142 464 HD13 ILE 65 2HD1 ILE 65 -6.582 0.018 -3.954 465 H THR 66 H THR 66 -11.222 -1.259 -4.245 466 HA THR 66 HA THR 66 -11.850 -0.516 -6.873 467 HB THR 66 HB THR 66 -12.661 -2.818 -7.174 468 HG1 THR 66 1HG THR 66 -13.039 -4.122 -5.472 469 HG21 THR 66 3HG2 THR 66 -10.561 -3.967 -6.152 470 HG22 THR 66 1HG2 THR 66 -10.102 -2.326 -5.698 471 HG23 THR 66 2HG2 THR 66 -10.352 -2.734 -7.395 472 H SER 67 H SER 67 -13.813 -0.745 -4.021 473 HA SER 67 HA SER 67 -16.348 -1.124 -4.995 474 HB3 SER 67 2HB SER 67 -15.369 0.678 -2.780 475 HG SER 67 HG SER 67 -18.052 -0.104 -3.253 476 H MET 68 H MET 68 -14.525 1.918 -4.882 477 HA MET 68 HA MET 68 -16.484 3.057 -6.767 478 HB3 MET 68 2HB MET 68 -16.811 4.583 -5.143 479 HG3 MET 68 2HG MET 68 -14.110 3.958 -3.974 480 HE1 MET 68 3HE MET 68 -17.649 5.883 -2.090 481 HE2 MET 68 1HE MET 68 -17.277 4.178 -2.346 482 HE3 MET 68 2HE MET 68 -16.719 4.992 -0.885 483 H LYS 69 H LYS 69 -13.264 4.088 -5.669 484 HA LYS 69 HA LYS 69 -12.356 3.950 -8.469 485 HB3 LYS 69 2HB LYS 69 -10.844 5.926 -7.763 486 HG3 LYS 69 2HG LYS 69 -12.721 7.605 -8.057 487 HD3 LYS 69 2HD LYS 69 -12.511 5.369 -10.076 488 HE3 LYS 69 2HE LYS 69 -14.354 7.056 -10.410 489 HZ1 LYS 69 3HZ LYS 69 -13.618 9.106 -9.790 490 HZ2 LYS 69 1HZ LYS 69 -13.281 9.189 -11.445 491 HZ3 LYS 69 2HZ LYS 69 -12.041 8.853 -10.346 492 H GLY 70 H GLY 70 -10.568 2.790 -8.807 493 HA2 GLY 70 2HA GLY 70 -9.354 1.257 -6.817 494 HA3 GLY 70 3HA GLY 70 -8.670 1.564 -8.407 495 H LEU 71 H LEU 71 -7.029 3.021 -8.637 496 HA LEU 71 HA LEU 71 -5.619 3.747 -6.246 497 HB3 LEU 71 2HB LEU 71 -4.945 4.684 -9.015 498 HG LEU 71 HG LEU 71 -3.524 5.266 -6.891 499 HD11 LEU 71 1HD1 LEU 71 -1.894 3.662 -6.278 500 HD12 LEU 71 2HD1 LEU 71 -2.387 2.564 -7.567 501 HD13 LEU 71 3HD1 LEU 71 -3.457 2.848 -6.193 502 HD21 LEU 71 3HD2 LEU 71 -2.868 5.870 -9.124 503 HD22 LEU 71 1HD2 LEU 71 -2.381 4.212 -9.473 504 HD23 LEU 71 2HD2 LEU 71 -1.480 5.165 -8.294 505 H ASP 72 H ASP 72 -7.978 5.231 -8.187 506 HA ASP 72 HA ASP 72 -7.207 7.954 -7.702 507 HB3 ASP 72 2HB ASP 72 -9.826 8.132 -8.380 508 H THR 73 H THR 73 -8.468 5.589 -5.752 509 HA THR 73 HA THR 73 -10.461 6.908 -4.285 510 HB THR 73 HB THR 73 -8.829 4.508 -3.943 511 HG1 THR 73 1HG THR 73 -11.478 5.353 -3.422 512 HG21 THR 73 3HG2 THR 73 -9.691 6.071 -1.509 513 HG22 THR 73 1HG2 THR 73 -8.058 5.546 -1.921 514 HG23 THR 73 2HG2 THR 73 -9.285 4.355 -1.486 515 H GLU 74 H GLU 74 -10.430 8.242 -2.530 516 HA GLU 74 HA GLU 74 -7.847 9.480 -1.907 517 HB3 GLU 74 2HB GLU 74 -9.494 11.067 -2.607 518 HG3 GLU 74 2HG GLU 74 -11.285 9.879 -0.503 519 H ILE 75 H ILE 75 -6.985 9.498 0.110 520 HA ILE 75 HA ILE 75 -8.492 8.101 2.224 521 HB ILE 75 HB ILE 75 -6.171 7.430 3.085 522 HG13 ILE 75 2HG1 ILE 75 -4.863 8.897 1.621 523 HG21 ILE 75 1HG2 ILE 75 -6.161 5.412 1.744 524 HG22 ILE 75 2HG2 ILE 75 -7.818 5.879 2.123 525 HG23 ILE 75 3HG2 ILE 75 -7.160 6.195 0.518 526 HD11 ILE 75 3HD1 ILE 75 -4.276 6.218 2.063 527 HD12 ILE 75 1HD1 ILE 75 -3.943 6.485 0.352 528 HD13 ILE 75 2HD1 ILE 75 -3.157 7.489 1.570 529 H LYS 76 H LYS 76 -8.976 9.434 3.826 530 HA LYS 76 HA LYS 76 -7.732 11.967 4.177 531 HB3 LYS 76 2HB LYS 76 -9.138 12.109 6.220 532 HG3 LYS 76 2HG LYS 76 -11.374 11.716 5.145 533 HD3 LYS 76 2HD LYS 76 -10.772 13.302 3.141 534 HE3 LYS 76 2HE LYS 76 -10.484 15.195 4.766 535 HZ1 LYS 76 3HZ LYS 76 -12.670 15.147 5.121 536 HZ2 LYS 76 1HZ LYS 76 -12.605 13.705 6.003 537 HZ3 LYS 76 2HZ LYS 76 -12.673 13.661 4.313 538 H ASP 77 H ASP 77 -7.029 12.593 6.516 539 HA ASP 77 HA ASP 77 -4.620 11.208 7.056 540 HB3 ASP 77 2HB ASP 77 -4.768 13.574 7.505 541 H ASP 78 H ASP 78 -7.830 11.085 8.441 542 HA ASP 78 HA ASP 78 -7.038 9.502 10.710 543 HB3 ASP 78 2HB ASP 78 -9.856 9.757 9.689 544 H ASP 79 H ASP 79 -8.127 8.918 7.463 545 HA ASP 79 HA ASP 79 -9.135 6.353 7.617 546 HB3 ASP 79 2HB ASP 79 -8.157 6.089 5.267 547 H LYS 80 H LYS 80 -8.178 4.280 7.183 548 HA LYS 80 HA LYS 80 -5.303 4.055 7.660 549 HB3 LYS 80 2HB LYS 80 -6.069 3.821 9.880 550 HG3 LYS 80 2HG LYS 80 -8.254 2.063 8.796 551 HD3 LYS 80 2HD LYS 80 -7.108 1.226 10.926 552 HE3 LYS 80 2HE LYS 80 -8.111 3.885 11.780 553 HZ1 LYS 80 3HZ LYS 80 -9.279 1.832 12.981 554 HZ2 LYS 80 1HZ LYS 80 -8.871 3.261 13.791 555 HZ3 LYS 80 2HZ LYS 80 -7.860 1.910 13.898 556 H ILE 81 H ILE 81 -4.359 2.378 6.608 557 HA ILE 81 HA ILE 81 -6.129 0.711 4.959 558 HB ILE 81 HB ILE 81 -3.185 1.279 4.607 559 HG13 ILE 81 2HG1 ILE 81 -5.659 2.573 3.591 560 HG21 ILE 81 1HG2 ILE 81 -3.239 -0.582 3.375 561 HG22 ILE 81 2HG2 ILE 81 -5.000 -0.648 3.395 562 HG23 ILE 81 3HG2 ILE 81 -4.169 0.363 2.214 563 HD11 ILE 81 3HD1 ILE 81 -3.662 4.341 3.214 564 HD12 ILE 81 1HD1 ILE 81 -4.584 4.188 4.709 565 HD13 ILE 81 2HD1 ILE 81 -3.014 3.398 4.556 566 H ASP 82 H ASP 82 -6.020 -1.490 4.986 567 HA ASP 82 HA ASP 82 -4.139 -2.711 6.897 568 HB3 ASP 82 2HB ASP 82 -5.925 -4.353 7.452 569 H LEU 83 H LEU 83 -3.016 -4.424 6.182 570 HA LEU 83 HA LEU 83 -3.794 -5.583 3.587 571 HB3 LEU 83 2HB LEU 83 -1.057 -4.981 4.686 572 HG LEU 83 HG LEU 83 -1.162 -7.194 3.386 573 HD11 LEU 83 1HD1 LEU 83 -1.922 -5.215 1.285 574 HD12 LEU 83 2HD1 LEU 83 -2.551 -6.835 1.584 575 HD13 LEU 83 3HD1 LEU 83 -0.958 -6.627 0.855 576 HD21 LEU 83 3HD2 LEU 83 0.985 -6.853 2.619 577 HD22 LEU 83 1HD2 LEU 83 0.821 -5.552 3.801 578 HD23 LEU 83 2HD2 LEU 83 0.646 -5.207 2.079 579 H PHE 84 H PHE 84 -4.037 -7.728 3.502 580 HA PHE 84 HA PHE 84 -2.934 -9.349 5.697 581 HB3 PHE 84 2HB PHE 84 -5.234 -10.688 4.958 582 HD1 PHE 84 1HD PHE 84 -5.683 -7.611 6.903 583 HD2 PHE 84 2HD PHE 84 -4.711 -11.753 7.037 584 HE1 PHE 84 1HE PHE 84 -5.958 -7.593 9.349 585 HE2 PHE 84 2HE PHE 84 -4.985 -11.742 9.482 586 HZ PHE 84 HZ PHE 84 -5.610 -9.661 10.640 587 HA PRO 85 HA PRO 85 -1.267 -11.856 2.485 588 HB3 PRO 85 2HB PRO 85 0.144 -12.703 4.087 589 HG3 PRO 85 2HG PRO 85 -0.570 -12.991 6.282 590 HD3 PRO 85 2HD PRO 85 -1.234 -10.812 5.931 591 HA PRO 86 HA PRO 86 -4.365 -14.445 0.742 592 HB3 PRO 86 2HB PRO 86 -2.932 -14.837 -1.011 593 HG3 PRO 86 2HG PRO 86 -0.650 -15.111 -0.657 594 HD3 PRO 86 2HD PRO 86 -1.004 -13.167 0.528 595 H VAL 87 H VAL 87 -5.605 -16.297 1.065 596 HA VAL 87 HA VAL 87 -5.658 -17.439 3.576 597 HB VAL 87 HB VAL 87 -7.029 -19.284 2.505 598 HG11 VAL 87 1HG1 VAL 87 -7.603 -16.375 2.401 599 HG12 VAL 87 2HG1 VAL 87 -8.743 -17.465 1.611 600 HG13 VAL 87 3HG1 VAL 87 -8.388 -17.652 3.328 601 HG21 VAL 87 3HG2 VAL 87 -6.629 -17.617 0.023 602 HG22 VAL 87 1HG2 VAL 87 -5.903 -19.199 0.307 603 HG23 VAL 87 2HG2 VAL 87 -7.655 -19.042 0.182 604 H ALA 88 H ALA 88 -3.830 -18.403 0.763 605 HA ALA 88 HA ALA 88 -3.024 -20.926 1.954 606 HB1 ALA 88 1HB ALA 88 -3.449 -20.769 -0.467 607 HB2 ALA 88 2HB ALA 88 -2.100 -19.641 -0.612 608 HB3 ALA 88 3HB ALA 88 -1.808 -21.304 -0.103 609 H GLY 89 H GLY 89 -1.167 -18.214 0.550 610 HA2 GLY 89 2HA GLY 89 1.256 -18.847 1.783 611 HA3 GLY 89 3HA GLY 89 0.815 -17.252 1.190 612 H GLY 90 H GLY 90 2.209 -18.357 3.691 613 HA2 GLY 90 2HA GLY 90 2.242 -16.657 5.553 614 HA3 GLY 90 3HA GLY 90 0.514 -16.961 5.668 Start of MODEL 3 1 H1 MET 1 H MET 1 -2.964 12.884 7.794 2 HA MET 1 HA MET 1 -0.790 11.203 7.380 3 HB3 MET 1 2HB MET 1 -2.747 11.058 9.679 4 HG3 MET 1 2HG MET 1 -0.651 9.413 9.277 5 HE1 MET 1 3HE MET 1 1.548 11.525 12.530 6 HE2 MET 1 1HE MET 1 -0.030 12.233 12.185 7 HE3 MET 1 2HE MET 1 0.101 10.516 12.568 8 H VAL 2 H VAL 2 -0.561 9.150 6.755 9 HA VAL 2 HA VAL 2 -2.977 7.463 6.623 10 HB VAL 2 HB VAL 2 -1.958 6.341 4.663 11 HG11 VAL 2 1HG1 VAL 2 -2.782 9.186 4.684 12 HG12 VAL 2 2HG1 VAL 2 -2.092 8.558 3.185 13 HG13 VAL 2 3HG1 VAL 2 -3.520 7.797 3.887 14 HG21 VAL 2 3HG2 VAL 2 0.308 7.904 5.435 15 HG22 VAL 2 1HG2 VAL 2 0.194 6.643 4.208 16 HG23 VAL 2 2HG2 VAL 2 -0.151 8.320 3.783 17 H THR 3 H THR 3 -2.856 5.435 7.426 18 HA THR 3 HA THR 3 -0.253 4.578 8.514 19 HB THR 3 HB THR 3 -2.859 3.583 9.615 20 HG1 THR 3 1HG THR 3 -3.003 5.852 9.730 21 HG21 THR 3 3HG2 THR 3 -1.298 2.410 10.743 22 HG22 THR 3 1HG2 THR 3 -1.127 3.890 11.686 23 HG23 THR 3 2HG2 THR 3 -0.014 3.555 10.360 24 H VAL 4 H VAL 4 0.502 2.604 7.994 25 HA VAL 4 HA VAL 4 -1.222 0.902 6.314 26 HB VAL 4 HB VAL 4 0.972 -0.049 5.464 27 HG11 VAL 4 1HG1 VAL 4 1.387 2.380 4.278 28 HG12 VAL 4 2HG1 VAL 4 0.173 1.198 3.783 29 HG13 VAL 4 3HG1 VAL 4 -0.273 2.525 4.856 30 HG21 VAL 4 3HG2 VAL 4 2.067 2.438 6.778 31 HG22 VAL 4 1HG2 VAL 4 2.408 0.774 7.256 32 HG23 VAL 4 2HG2 VAL 4 2.954 1.372 5.688 33 H ARG 5 H ARG 5 -0.697 -1.445 6.403 34 HA ARG 5 HA ARG 5 0.326 -2.299 9.018 35 HB3 ARG 5 2HB ARG 5 -1.535 -3.827 9.326 36 HG3 ARG 5 2HG ARG 5 -3.473 -2.240 9.457 37 HD3 ARG 5 2HD ARG 5 -1.051 -0.905 10.589 38 HE ARG 5 HE ARG 5 -3.732 -0.757 11.214 39 HH11 ARG 5 1HH1 ARG 5 -0.772 -1.512 12.883 40 HH12 ARG 5 2HH1 ARG 5 -1.336 -0.933 14.416 41 HH21 ARG 5 1HH2 ARG 5 -4.486 0.008 13.227 42 HH22 ARG 5 2HH2 ARG 5 -3.448 -0.070 14.610 43 H TYR 6 H TYR 6 1.378 -4.252 9.037 44 HA TYR 6 HA TYR 6 1.446 -5.802 6.548 45 HB3 TYR 6 2HB TYR 6 3.854 -5.913 6.549 46 HD1 TYR 6 2HD TYR 6 2.327 -4.523 4.724 47 HD2 TYR 6 1HD TYR 6 4.678 -2.857 7.855 48 HE1 TYR 6 2HE TYR 6 2.489 -2.412 3.472 49 HE2 TYR 6 1HE TYR 6 4.845 -0.741 6.612 50 HH TYR 6 HH TYR 6 4.692 -0.039 4.143 51 H TYR 7 H TYR 7 1.808 -7.987 6.799 52 HA TYR 7 HA TYR 7 1.634 -8.961 9.562 53 HB3 TYR 7 2HB TYR 7 1.111 -11.159 8.101 54 HD1 TYR 7 2HD TYR 7 -0.754 -7.918 8.308 55 HD2 TYR 7 1HD TYR 7 -0.652 -12.062 9.268 56 HE1 TYR 7 2HE TYR 7 -2.912 -7.697 9.467 57 HE2 TYR 7 1HE TYR 7 -2.810 -11.853 10.428 58 HH TYR 7 HH TYR 7 -4.177 -10.150 11.480 59 H ALA 8 H ALA 8 2.540 -11.396 9.590 60 HA ALA 8 HA ALA 8 5.308 -11.212 9.654 61 HB1 ALA 8 1HB ALA 8 3.385 -13.487 9.714 62 HB2 ALA 8 2HB ALA 8 5.109 -13.826 9.557 63 HB3 ALA 8 3HB ALA 8 4.509 -12.927 10.951 64 H THR 9 H THR 9 3.197 -11.933 7.008 65 HA THR 9 HA THR 9 5.149 -13.194 5.343 66 HB THR 9 HB THR 9 3.217 -12.092 3.652 67 HG1 THR 9 1HG THR 9 1.919 -13.121 5.962 68 HG21 THR 9 3HG2 THR 9 4.211 -14.409 3.713 69 HG22 THR 9 1HG2 THR 9 2.479 -14.341 3.386 70 HG23 THR 9 2HG2 THR 9 3.058 -14.788 4.992 71 H LEU 10 H LEU 10 4.240 -9.914 6.022 72 HA LEU 10 HA LEU 10 5.935 -8.953 3.820 73 HB3 LEU 10 2HB LEU 10 4.868 -6.731 4.340 74 HG LEU 10 HG LEU 10 3.957 -8.306 2.535 75 HD11 LEU 10 1HD1 LEU 10 2.203 -8.956 4.846 76 HD12 LEU 10 2HD1 LEU 10 2.804 -9.992 3.553 77 HD13 LEU 10 3HD1 LEU 10 1.480 -8.870 3.239 78 HD21 LEU 10 3HD2 LEU 10 3.414 -5.905 2.750 79 HD22 LEU 10 1HD2 LEU 10 2.063 -6.329 3.801 80 HD23 LEU 10 2HD2 LEU 10 2.069 -6.859 2.120 81 H ARG 11 H ARG 11 6.457 -9.891 6.782 82 HA ARG 11 HA ARG 11 7.504 -7.742 8.219 83 HB3 ARG 11 2HB ARG 11 9.112 -10.067 8.662 84 HG3 ARG 11 2HG ARG 11 8.462 -8.528 10.431 85 HD3 ARG 11 2HD ARG 11 5.803 -9.120 9.426 86 HE ARG 11 HE ARG 11 5.014 -10.129 11.309 87 HH11 ARG 11 1HH1 ARG 11 7.431 -7.798 12.231 88 HH12 ARG 11 2HH1 ARG 11 7.179 -8.015 13.931 89 HH21 ARG 11 1HH2 ARG 11 4.673 -10.423 13.546 90 HH22 ARG 11 2HH2 ARG 11 5.611 -9.509 14.679 91 HA PRO 12 HA PRO 12 11.813 -8.699 6.260 92 HB3 PRO 12 2HB PRO 12 12.036 -10.948 5.844 93 HG3 PRO 12 2HG PRO 12 10.212 -12.234 5.190 94 HD3 PRO 12 2HD PRO 12 9.311 -11.174 7.027 95 H ILE 13 H ILE 13 8.920 -8.103 4.592 96 HA ILE 13 HA ILE 13 10.264 -6.911 2.284 97 HB ILE 13 HB ILE 13 7.292 -6.951 2.736 98 HG13 ILE 13 2HG1 ILE 13 8.082 -9.253 2.995 99 HG21 ILE 13 1HG2 ILE 13 8.801 -7.096 0.145 100 HG22 ILE 13 2HG2 ILE 13 7.120 -6.638 0.416 101 HG23 ILE 13 3HG2 ILE 13 8.422 -5.560 0.924 102 HD11 ILE 13 3HD1 ILE 13 6.039 -8.696 1.513 103 HD12 ILE 13 1HD1 ILE 13 7.089 -9.182 0.183 104 HD13 ILE 13 2HD1 ILE 13 6.720 -10.321 1.477 105 H THR 14 H THR 14 8.731 -6.053 5.254 106 HA THR 14 HA THR 14 8.757 -3.210 4.480 107 HB THR 14 HB THR 14 6.557 -4.138 5.234 108 HG1 THR 14 1HG THR 14 7.756 -2.115 6.848 109 HG21 THR 14 3HG2 THR 14 7.275 -4.043 8.063 110 HG22 THR 14 1HG2 THR 14 8.037 -5.375 7.195 111 HG23 THR 14 2HG2 THR 14 6.282 -5.207 7.187 112 H LYS 15 H LYS 15 10.809 -5.241 5.753 113 HA LYS 15 HA LYS 15 12.601 -5.086 7.144 114 HB3 LYS 15 2HB LYS 15 11.986 -2.175 7.562 115 HG3 LYS 15 2HG LYS 15 14.527 -3.760 7.299 116 HD3 LYS 15 2HD LYS 15 14.382 -1.415 6.128 117 HE3 LYS 15 2HE LYS 15 15.201 0.305 7.840 118 HZ1 LYS 15 3HZ LYS 15 12.665 -0.303 6.944 119 HZ2 LYS 15 1HZ LYS 15 13.192 1.168 7.591 120 HZ3 LYS 15 2HZ LYS 15 12.488 0.006 8.598 121 H LYS 16 H LYS 16 9.773 -5.410 8.155 122 HA LYS 16 HA LYS 16 8.654 -5.587 10.134 123 HB3 LYS 16 2HB LYS 16 9.908 -6.452 11.963 124 HG3 LYS 16 2HG LYS 16 11.791 -7.249 9.808 125 HD3 LYS 16 2HD LYS 16 10.993 -9.522 10.724 126 HE3 LYS 16 2HE LYS 16 12.325 -7.968 12.882 127 HZ1 LYS 16 3HZ LYS 16 12.484 -10.243 13.187 128 HZ2 LYS 16 1HZ LYS 16 13.959 -9.875 12.446 129 HZ3 LYS 16 2HZ LYS 16 12.709 -10.568 11.543 130 H LYS 17 H LYS 17 8.202 -3.200 9.651 131 HA LYS 17 HA LYS 17 8.279 -1.774 12.085 132 HB3 LYS 17 2HB LYS 17 9.846 -0.333 9.980 133 HG3 LYS 17 2HG LYS 17 9.568 -0.161 12.951 134 HD3 LYS 17 2HD LYS 17 12.031 -0.257 12.164 135 HE3 LYS 17 2HE LYS 17 11.394 1.396 10.245 136 HZ1 LYS 17 3HZ LYS 17 11.861 3.692 10.840 137 HZ2 LYS 17 1HZ LYS 17 11.974 3.271 12.475 138 HZ3 LYS 17 2HZ LYS 17 10.497 3.128 11.665 139 H GLU 18 H GLU 18 6.494 -0.575 12.119 140 HA GLU 18 HA GLU 18 5.380 0.332 9.545 141 HB3 GLU 18 2HB GLU 18 3.994 -0.609 12.053 142 HG3 GLU 18 2HG GLU 18 1.912 -0.253 10.523 143 H GLU 19 H GLU 19 4.586 2.406 9.384 144 HA GLU 19 HA GLU 19 4.478 4.137 11.691 145 HB3 GLU 19 2HB GLU 19 6.863 4.218 11.186 146 HG3 GLU 19 2HG GLU 19 6.328 5.500 8.550 147 H THR 20 H THR 20 3.738 6.339 11.107 148 HA THR 20 HA THR 20 1.907 6.186 8.819 149 HB THR 20 HB THR 20 0.827 8.205 9.941 150 HG1 THR 20 1HG THR 20 2.755 8.545 11.323 151 HG21 THR 20 3HG2 THR 20 0.841 5.733 11.659 152 HG22 THR 20 1HG2 THR 20 0.057 5.787 10.081 153 HG23 THR 20 2HG2 THR 20 -0.488 6.856 11.373 154 H PHE 21 H PHE 21 1.740 7.857 7.315 155 HA PHE 21 HA PHE 21 3.881 9.874 7.376 156 HB3 PHE 21 2HB PHE 21 3.730 9.530 4.749 157 HD1 PHE 21 2HD PHE 21 5.965 10.351 5.555 158 HD2 PHE 21 1HD PHE 21 4.725 6.298 5.939 159 HE1 PHE 21 2HE PHE 21 8.308 9.667 5.868 160 HE2 PHE 21 1HE PHE 21 7.065 5.608 6.254 161 HZ PHE 21 HZ PHE 21 8.860 7.294 6.219 162 H ASN 22 H ASN 22 3.374 11.886 6.564 163 HA ASN 22 HA ASN 22 0.548 12.292 5.830 164 HB3 ASN 22 2HB ASN 22 2.342 14.265 7.259 165 HD21 ASN 22 1HD2 ASN 22 1.658 16.159 6.510 166 HD22 ASN 22 2HD2 ASN 22 0.008 16.663 6.435 167 H GLY 23 H GLY 23 0.148 14.239 4.489 168 HA2 GLY 23 2HA GLY 23 1.456 15.957 3.127 169 HA3 GLY 23 3HA GLY 23 2.329 14.553 2.528 170 H ILE 24 H ILE 24 0.719 12.755 1.737 171 HA ILE 24 HA ILE 24 -1.177 14.096 -0.072 172 HB ILE 24 HB ILE 24 0.269 11.468 -0.425 173 HG13 ILE 24 2HG1 ILE 24 1.450 12.593 -2.231 174 HG21 ILE 24 1HG2 ILE 24 -2.026 12.690 -1.822 175 HG22 ILE 24 2HG2 ILE 24 -0.769 11.994 -2.845 176 HG23 ILE 24 3HG2 ILE 24 -1.577 10.993 -1.640 177 HD11 ILE 24 3HD1 ILE 24 -0.205 14.188 -2.975 178 HD12 ILE 24 1HD1 ILE 24 -0.083 15.060 -1.448 179 HD13 ILE 24 2HD1 ILE 24 1.294 15.014 -2.550 180 H SER 25 H SER 25 -3.247 13.327 -0.308 181 HA SER 25 HA SER 25 -4.078 11.271 1.633 182 HB3 SER 25 2HB SER 25 -5.169 13.164 2.402 183 HG SER 25 HG SER 25 -4.634 14.692 0.927 184 H LYS 26 H LYS 26 -3.241 10.172 -0.586 185 HA LYS 26 HA LYS 26 -5.671 9.173 -1.814 186 HB3 LYS 26 2HB LYS 26 -4.732 9.455 -4.122 187 HG3 LYS 26 2HG LYS 26 -5.216 12.017 -2.614 188 HD3 LYS 26 2HD LYS 26 -4.721 11.422 -5.458 189 HE3 LYS 26 2HE LYS 26 -7.061 13.058 -4.524 190 HZ1 LYS 26 3HZ LYS 26 -6.127 14.595 -5.924 191 HZ2 LYS 26 1HZ LYS 26 -7.045 13.695 -7.025 192 HZ3 LYS 26 2HZ LYS 26 -5.378 13.436 -6.903 193 H ILE 27 H ILE 27 -5.381 7.160 -2.898 194 HA ILE 27 HA ILE 27 -3.376 5.520 -1.716 195 HB ILE 27 HB ILE 27 -5.396 4.957 -3.883 196 HG13 ILE 27 2HG1 ILE 27 -6.606 3.784 -2.169 197 HG21 ILE 27 1HG2 ILE 27 -3.553 3.480 -4.270 198 HG22 ILE 27 2HG2 ILE 27 -3.441 3.091 -2.554 199 HG23 ILE 27 3HG2 ILE 27 -4.839 2.558 -3.489 200 HD11 ILE 27 3HD1 ILE 27 -5.389 4.386 0.243 201 HD12 ILE 27 1HD1 ILE 27 -5.528 2.797 -0.506 202 HD13 ILE 27 2HD1 ILE 27 -4.084 3.774 -0.771 203 H SER 28 H SER 28 -3.664 7.225 -4.724 204 HA SER 28 HA SER 28 -1.928 5.837 -6.369 205 HB3 SER 28 2HB SER 28 -2.805 8.667 -6.158 206 HG SER 28 HG SER 28 -0.744 9.160 -6.639 207 H GLU 29 H GLU 29 -1.111 8.499 -4.142 208 HA GLU 29 HA GLU 29 1.700 8.213 -4.554 209 HB3 GLU 29 2HB GLU 29 1.540 9.598 -2.232 210 HG3 GLU 29 2HG GLU 29 0.853 11.577 -3.978 211 H LEU 30 H LEU 30 -0.577 7.133 -2.085 212 HA LEU 30 HA LEU 30 1.199 6.182 -0.179 213 HB3 LEU 30 2HB LEU 30 -1.493 5.111 -1.007 214 HG LEU 30 HG LEU 30 0.065 3.633 0.579 215 HD11 LEU 30 1HD1 LEU 30 -0.957 4.269 2.942 216 HD12 LEU 30 2HD1 LEU 30 -0.898 5.888 2.247 217 HD13 LEU 30 3HD1 LEU 30 0.577 4.929 2.374 218 HD21 LEU 30 3HD2 LEU 30 -2.076 2.886 -0.076 219 HD22 LEU 30 1HD2 LEU 30 -2.883 4.181 0.808 220 HD23 LEU 30 2HD2 LEU 30 -2.082 2.880 1.688 221 H LEU 31 H LEU 31 -0.220 4.431 -2.934 222 HA LEU 31 HA LEU 31 1.200 2.025 -2.462 223 HB3 LEU 31 2HB LEU 31 0.617 1.629 -4.938 224 HG LEU 31 HG LEU 31 -1.713 2.218 -3.112 225 HD11 LEU 31 1HD1 LEU 31 -3.050 1.392 -4.686 226 HD12 LEU 31 2HD1 LEU 31 -1.972 0.031 -4.993 227 HD13 LEU 31 3HD1 LEU 31 -1.699 1.572 -5.804 228 HD21 LEU 31 3HD2 LEU 31 -1.394 -0.465 -3.068 229 HD22 LEU 31 1HD2 LEU 31 -0.734 0.629 -1.853 230 HD23 LEU 31 2HD2 LEU 31 0.288 0.059 -3.173 231 H GLU 32 H GLU 32 1.712 4.659 -4.805 232 HA GLU 32 HA GLU 32 3.984 3.682 -6.048 233 HB3 GLU 32 2HB GLU 32 3.545 6.596 -5.398 234 HG3 GLU 32 2HG GLU 32 4.462 5.558 -8.031 235 H ARG 33 H ARG 33 3.644 5.265 -2.943 236 HA ARG 33 HA ARG 33 6.465 5.637 -2.549 237 HB3 ARG 33 2HB ARG 33 5.669 6.030 -0.124 238 HG3 ARG 33 2HG ARG 33 4.414 8.179 -0.819 239 HD3 ARG 33 2HD ARG 33 6.529 9.220 -1.580 240 HE ARG 33 HE ARG 33 6.329 7.718 0.840 241 HH11 ARG 33 1HH1 ARG 33 8.477 9.653 -1.100 242 HH12 ARG 33 2HH1 ARG 33 9.456 10.146 0.242 243 HH21 ARG 33 1HH2 ARG 33 7.610 8.359 2.615 244 HH22 ARG 33 2HH2 ARG 33 8.962 9.408 2.354 245 H LEU 34 H LEU 34 4.051 3.255 -1.593 246 HA LEU 34 HA LEU 34 5.733 1.812 0.184 247 HB3 LEU 34 2HB LEU 34 3.835 0.035 -0.856 248 HG LEU 34 HG LEU 34 4.291 0.272 1.550 249 HD11 LEU 34 1HD1 LEU 34 4.348 2.347 2.361 250 HD12 LEU 34 2HD1 LEU 34 2.588 2.253 2.408 251 HD13 LEU 34 3HD1 LEU 34 3.394 2.988 1.023 252 HD21 LEU 34 3HD2 LEU 34 1.544 0.324 0.426 253 HD22 LEU 34 1HD2 LEU 34 1.723 0.430 2.177 254 HD23 LEU 34 2HD2 LEU 34 2.386 -0.953 1.305 255 H LYS 35 H LYS 35 4.696 1.170 -3.164 256 HA LYS 35 HA LYS 35 6.131 -1.156 -3.606 257 HB3 LYS 35 2HB LYS 35 4.540 -0.477 -5.235 258 HG3 LYS 35 2HG LYS 35 5.407 2.103 -4.826 259 HD3 LYS 35 2HD LYS 35 7.195 1.473 -6.587 260 HE3 LYS 35 2HE LYS 35 5.112 0.566 -8.023 261 HZ1 LYS 35 3HZ LYS 35 4.710 3.243 -8.201 262 HZ2 LYS 35 1HZ LYS 35 4.120 2.087 -9.287 263 HZ3 LYS 35 2HZ LYS 35 5.563 2.903 -9.622 264 H VAL 36 H VAL 36 7.169 2.208 -4.038 265 HA VAL 36 HA VAL 36 9.789 1.499 -4.948 266 HB VAL 36 HB VAL 36 8.547 4.091 -4.060 267 HG11 VAL 36 1HG1 VAL 36 11.427 3.504 -4.663 268 HG12 VAL 36 2HG1 VAL 36 10.738 5.110 -4.910 269 HG13 VAL 36 3HG1 VAL 36 10.741 4.387 -3.300 270 HG21 VAL 36 3HG2 VAL 36 8.825 2.692 -6.535 271 HG22 VAL 36 1HG2 VAL 36 7.998 4.214 -6.207 272 HG23 VAL 36 2HG2 VAL 36 9.711 4.215 -6.628 273 H GLU 37 H GLU 37 8.326 2.234 -1.853 274 HA GLU 37 HA GLU 37 10.471 2.853 -0.271 275 HB3 GLU 37 2HB GLU 37 8.926 0.969 1.189 276 HG3 GLU 37 2HG GLU 37 7.829 3.099 2.079 277 H TYR 38 H TYR 38 9.354 -0.425 -1.090 278 HA TYR 38 HA TYR 38 11.875 -1.502 -0.048 279 HB3 TYR 38 2HB TYR 38 9.486 -3.100 -0.962 280 HD1 TYR 38 1HD TYR 38 12.089 -2.960 1.728 281 HD2 TYR 38 2HD TYR 38 10.028 -5.326 -1.145 282 HE1 TYR 38 1HE TYR 38 13.382 -4.929 2.432 283 HE2 TYR 38 2HE TYR 38 11.315 -7.303 -0.448 284 HH TYR 38 HH TYR 38 13.280 -7.919 0.670 285 H GLY 39 H GLY 39 9.884 -1.355 -2.956 286 HA2 GLY 39 2HA GLY 39 11.197 -1.125 -5.053 287 HA3 GLY 39 3HA GLY 39 12.169 -2.466 -4.467 288 H SER 40 H SER 40 11.536 -3.257 -6.677 289 HA SER 40 HA SER 40 8.959 -3.961 -7.408 290 HB3 SER 40 2HB SER 40 11.131 -4.121 -8.773 291 HG SER 40 HG SER 40 12.190 -6.066 -8.698 292 H GLU 41 H GLU 41 11.146 -5.502 -5.167 293 HA GLU 41 HA GLU 41 10.093 -8.040 -4.959 294 HB3 GLU 41 2HB GLU 41 10.629 -7.298 -2.323 295 HG3 GLU 41 2HG GLU 41 12.753 -8.380 -2.592 296 H PHE 42 H PHE 42 9.057 -5.138 -3.175 297 HA PHE 42 HA PHE 42 6.843 -6.484 -1.953 298 HB3 PHE 42 2HB PHE 42 7.423 -3.523 -2.173 299 HD1 PHE 42 1HD PHE 42 5.435 -6.196 -0.583 300 HD2 PHE 42 2HD PHE 42 6.116 -2.009 -0.929 301 HE1 PHE 42 1HE PHE 42 3.354 -5.759 0.654 302 HE2 PHE 42 2HE PHE 42 4.036 -1.565 0.307 303 HZ PHE 42 HZ PHE 42 2.652 -3.441 1.101 304 H THR 43 H THR 43 7.219 -4.175 -4.613 305 HA THR 43 HA THR 43 4.570 -3.683 -5.216 306 HB THR 43 HB THR 43 6.329 -4.107 -7.559 307 HG1 THR 43 1HG THR 43 7.647 -2.330 -6.986 308 HG21 THR 43 3HG2 THR 43 4.412 -2.901 -8.059 309 HG22 THR 43 1HG2 THR 43 5.595 -1.618 -7.805 310 HG23 THR 43 2HG2 THR 43 4.444 -2.021 -6.530 311 H LYS 44 H LYS 44 6.614 -6.353 -6.366 312 HA LYS 44 HA LYS 44 4.517 -7.556 -7.896 313 HB3 LYS 44 2HB LYS 44 6.099 -9.466 -8.092 314 HG3 LYS 44 2HG LYS 44 7.993 -8.252 -9.158 315 HD3 LYS 44 2HD LYS 44 5.250 -7.194 -9.845 316 HE3 LYS 44 2HE LYS 44 7.349 -6.148 -10.909 317 HZ1 LYS 44 3HZ LYS 44 8.671 -7.394 -12.171 318 HZ2 LYS 44 1HZ LYS 44 7.380 -8.213 -12.895 319 HZ3 LYS 44 2HZ LYS 44 7.989 -8.741 -11.407 320 H GLN 45 H GLN 45 5.630 -7.771 -4.616 321 HA GLN 45 HA GLN 45 4.396 -10.269 -4.004 322 HB3 GLN 45 2HB GLN 45 5.139 -8.064 -2.079 323 HG3 GLN 45 2HG GLN 45 5.800 -10.356 -0.846 324 HE21 GLN 45 1HE2 GLN 45 3.278 -11.220 0.184 325 HE22 GLN 45 2HE2 GLN 45 2.598 -9.891 1.052 326 H MET 46 H MET 46 3.387 -6.916 -3.918 327 HA MET 46 HA MET 46 0.769 -7.750 -2.865 328 HB3 MET 46 2HB MET 46 1.931 -6.027 -1.540 329 HG3 MET 46 2HG MET 46 2.189 -4.723 -4.151 330 HE1 MET 46 3HE MET 46 -0.607 -4.117 -3.359 331 HE2 MET 46 1HE MET 46 -0.823 -2.368 -3.313 332 HE3 MET 46 2HE MET 46 0.029 -3.115 -4.664 333 H TYR 47 H TYR 47 2.168 -7.409 -5.720 334 HA TYR 47 HA TYR 47 -0.219 -7.132 -7.172 335 HB3 TYR 47 2HB TYR 47 1.345 -4.791 -7.961 336 HD1 TYR 47 2HD TYR 47 -1.882 -5.907 -6.441 337 HD2 TYR 47 1HD TYR 47 0.047 -3.509 -9.378 338 HE1 TYR 47 2HE TYR 47 -4.076 -5.266 -7.349 339 HE2 TYR 47 1HE TYR 47 -2.141 -2.861 -10.294 340 HH TYR 47 HH TYR 47 -4.851 -2.976 -8.837 341 H ASP 48 H ASP 48 0.587 -8.914 -8.244 342 HA ASP 48 HA ASP 48 2.978 -8.463 -9.906 343 HB3 ASP 48 2HB ASP 48 1.807 -10.981 -8.738 344 H GLY 49 H GLY 49 1.973 -7.499 -11.660 345 HA2 GLY 49 2HA GLY 49 1.234 -7.859 -13.873 346 HA3 GLY 49 3HA GLY 49 0.458 -9.345 -13.347 347 H ASN 50 H ASN 50 0.157 -6.105 -11.952 348 HA ASN 50 HA ASN 50 -1.623 -4.709 -11.705 349 HB3 ASN 50 2HB ASN 50 -3.114 -4.443 -13.471 350 HD21 ASN 50 1HD2 ASN 50 -0.816 -3.499 -13.719 351 HD22 ASN 50 2HD2 ASN 50 -0.001 -3.930 -15.180 352 H ASN 51 H ASN 51 -1.517 -7.702 -10.756 353 HA ASN 51 HA ASN 51 -3.984 -7.532 -9.264 354 HB3 ASN 51 2HB ASN 51 -4.315 -10.097 -9.990 355 HD21 ASN 51 1HD2 ASN 51 -6.085 -8.601 -9.105 356 HD22 ASN 51 2HD2 ASN 51 -7.229 -8.033 -10.269 357 H LEU 52 H LEU 52 -4.123 -9.233 -7.591 358 HA LEU 52 HA LEU 52 -1.703 -9.497 -6.195 359 HB3 LEU 52 2HB LEU 52 -2.930 -10.902 -4.650 360 HG LEU 52 HG LEU 52 -4.418 -9.406 -3.820 361 HD11 LEU 52 1HD1 LEU 52 -3.765 -7.215 -4.316 362 HD12 LEU 52 2HD1 LEU 52 -3.409 -7.606 -5.998 363 HD13 LEU 52 3HD1 LEU 52 -2.356 -8.198 -4.713 364 HD21 LEU 52 3HD2 LEU 52 -6.326 -8.831 -4.836 365 HD22 LEU 52 1HD2 LEU 52 -5.816 -9.937 -6.110 366 HD23 LEU 52 2HD2 LEU 52 -5.491 -8.210 -6.261 367 H PHE 53 H PHE 53 -0.364 -11.259 -5.803 368 HA PHE 53 HA PHE 53 -0.112 -13.100 -7.997 369 HB3 PHE 53 2HB PHE 53 1.462 -12.714 -5.450 370 HD1 PHE 53 1HD PHE 53 1.654 -14.445 -8.755 371 HD2 PHE 53 2HD PHE 53 2.767 -14.411 -4.646 372 HE1 PHE 53 1HE PHE 53 2.836 -16.581 -9.061 373 HE2 PHE 53 2HE PHE 53 3.953 -16.546 -4.946 374 HZ PHE 53 HZ PHE 53 3.989 -17.633 -7.156 375 H LYS 54 H LYS 54 -0.230 -13.665 -4.475 376 HA LYS 54 HA LYS 54 -1.235 -16.351 -4.932 377 HB3 LYS 54 2HB LYS 54 -0.562 -14.899 -2.367 378 HG3 LYS 54 2HG LYS 54 -2.140 -16.782 -2.031 379 HD3 LYS 54 2HD LYS 54 -0.514 -19.001 -2.285 380 HE3 LYS 54 2HE LYS 54 -2.974 -17.974 -3.421 381 HZ1 LYS 54 3HZ LYS 54 -2.924 -18.751 -5.491 382 HZ2 LYS 54 1HZ LYS 54 -2.134 -20.179 -5.045 383 HZ3 LYS 54 2HZ LYS 54 -1.238 -18.778 -5.351 384 H ASN 55 H ASN 55 -2.257 -13.528 -3.001 385 HA ASN 55 HA ASN 55 -4.832 -13.282 -3.781 386 HB3 ASN 55 2HB ASN 55 -5.693 -14.720 -1.562 387 HD21 ASN 55 1HD2 ASN 55 -5.918 -17.283 -3.018 388 HD22 ASN 55 2HD2 ASN 55 -7.053 -16.988 -4.286 389 H VAL 56 H VAL 56 -2.987 -11.594 -2.765 390 HA VAL 56 HA VAL 56 -3.222 -11.044 -0.003 391 HB VAL 56 HB VAL 56 -2.595 -8.992 -2.118 392 HG11 VAL 56 1HG1 VAL 56 -2.899 -8.216 0.208 393 HG12 VAL 56 2HG1 VAL 56 -1.603 -9.303 0.714 394 HG13 VAL 56 3HG1 VAL 56 -1.258 -7.970 -0.388 395 HG21 VAL 56 3HG2 VAL 56 -0.978 -10.406 -2.787 396 HG22 VAL 56 1HG2 VAL 56 -0.165 -9.893 -1.308 397 HG23 VAL 56 2HG2 VAL 56 -1.095 -11.392 -1.329 398 H ILE 57 H ILE 57 -4.555 -9.708 1.134 399 HA ILE 57 HA ILE 57 -6.726 -8.387 -0.353 400 HB ILE 57 HB ILE 57 -7.014 -9.877 2.259 401 HG13 ILE 57 2HG1 ILE 57 -6.854 -11.059 -0.126 402 HG21 ILE 57 1HG2 ILE 57 -8.792 -8.597 2.614 403 HG22 ILE 57 2HG2 ILE 57 -8.579 -7.791 1.062 404 HG23 ILE 57 3HG2 ILE 57 -9.522 -9.278 1.160 405 HD11 ILE 57 3HD1 ILE 57 -7.683 -12.898 0.836 406 HD12 ILE 57 1HD1 ILE 57 -7.725 -11.898 2.288 407 HD13 ILE 57 2HD1 ILE 57 -9.181 -12.099 1.313 408 H ILE 58 H ILE 58 -6.300 -6.280 -0.141 409 HA ILE 58 HA ILE 58 -5.748 -5.258 2.568 410 HB ILE 58 HB ILE 58 -3.741 -4.812 1.504 411 HG13 ILE 58 2HG1 ILE 58 -4.922 -2.742 2.390 412 HG21 ILE 58 1HG2 ILE 58 -5.328 -4.218 -0.986 413 HG22 ILE 58 2HG2 ILE 58 -3.589 -3.970 -0.838 414 HG23 ILE 58 3HG2 ILE 58 -4.262 -5.593 -0.695 415 HD11 ILE 58 3HD1 ILE 58 -2.765 -2.575 0.333 416 HD12 ILE 58 1HD1 ILE 58 -3.414 -1.117 1.081 417 HD13 ILE 58 2HD1 ILE 58 -2.666 -2.361 2.080 418 H LEU 59 H LEU 59 -6.993 -3.621 3.289 419 HA LEU 59 HA LEU 59 -8.870 -2.389 1.382 420 HB3 LEU 59 2HB LEU 59 -10.417 -2.233 3.417 421 HG LEU 59 HG LEU 59 -9.870 -4.837 2.038 422 HD11 LEU 59 1HD1 LEU 59 -10.632 -5.770 3.984 423 HD12 LEU 59 2HD1 LEU 59 -12.161 -5.440 3.171 424 HD13 LEU 59 3HD1 LEU 59 -11.577 -4.350 4.428 425 HD21 LEU 59 3HD2 LEU 59 -11.181 -2.634 1.221 426 HD22 LEU 59 1HD2 LEU 59 -12.500 -3.504 2.005 427 HD23 LEU 59 2HD2 LEU 59 -11.594 -4.267 0.698 428 H VAL 60 H VAL 60 -9.655 -0.259 2.001 429 HA VAL 60 HA VAL 60 -7.777 1.184 3.757 430 HB VAL 60 HB VAL 60 -7.383 1.638 1.328 431 HG11 VAL 60 1HG1 VAL 60 -10.091 2.959 1.463 432 HG12 VAL 60 2HG1 VAL 60 -8.983 2.970 0.089 433 HG13 VAL 60 3HG1 VAL 60 -9.732 1.459 0.608 434 HG21 VAL 60 3HG2 VAL 60 -7.375 3.359 3.462 435 HG22 VAL 60 1HG2 VAL 60 -6.679 3.691 1.876 436 HG23 VAL 60 2HG2 VAL 60 -8.308 4.248 2.258 437 H ASN 61 H ASN 61 -8.648 2.526 5.232 438 HA ASN 61 HA ASN 61 -10.233 3.420 6.605 439 HB3 ASN 61 2HB ASN 61 -11.709 4.080 4.054 440 HD21 ASN 61 1HD2 ASN 61 -12.927 5.986 4.196 441 HD22 ASN 61 2HD2 ASN 61 -13.455 6.606 5.719 442 H GLY 62 H GLY 62 -10.537 0.604 5.874 443 HA2 GLY 62 2HA GLY 62 -12.025 -1.073 6.389 444 HA3 GLY 62 3HA GLY 62 -13.108 0.164 7.009 445 H ASN 63 H ASN 63 -11.827 -0.183 3.727 446 HA ASN 63 HA ASN 63 -14.127 -1.368 2.608 447 HB3 ASN 63 2HB ASN 63 -14.510 1.011 1.299 448 HD21 ASN 63 1HD2 ASN 63 -15.996 1.977 3.932 449 HD22 ASN 63 2HD2 ASN 63 -17.430 1.012 3.889 450 H ASN 64 H ASN 64 -13.943 -1.694 0.356 451 HA ASN 64 HA ASN 64 -11.230 -1.599 -0.600 452 HB3 ASN 64 2HB ASN 64 -12.455 -3.583 -1.106 453 HD21 ASN 64 1HD2 ASN 64 -13.952 -2.489 -3.851 454 HD22 ASN 64 2HD2 ASN 64 -15.595 -2.585 -3.325 455 H ILE 65 H ILE 65 -10.436 -0.463 -2.353 456 HA ILE 65 HA ILE 65 -11.684 2.064 -2.868 457 HB ILE 65 HB ILE 65 -9.764 2.531 -4.293 458 HG13 ILE 65 2HG1 ILE 65 -9.504 0.343 -5.340 459 HG21 ILE 65 1HG2 ILE 65 -8.245 2.747 -2.590 460 HG22 ILE 65 2HG2 ILE 65 -9.715 2.429 -1.670 461 HG23 ILE 65 3HG2 ILE 65 -8.557 1.130 -1.959 462 HD11 ILE 65 3HD1 ILE 65 -7.314 1.824 -4.301 463 HD12 ILE 65 1HD1 ILE 65 -6.923 0.107 -4.230 464 HD13 ILE 65 2HD1 ILE 65 -7.396 0.840 -5.763 465 H THR 66 H THR 66 -11.508 -1.005 -4.489 466 HA THR 66 HA THR 66 -12.128 -0.214 -7.106 467 HB THR 66 HB THR 66 -12.758 -2.481 -7.534 468 HG1 THR 66 1HG THR 66 -13.071 -3.934 -5.721 469 HG21 THR 66 3HG2 THR 66 -10.336 -1.804 -6.543 470 HG22 THR 66 1HG2 THR 66 -10.734 -3.413 -7.145 471 HG23 THR 66 2HG2 THR 66 -10.797 -3.077 -5.414 472 H SER 67 H SER 67 -14.099 -0.512 -4.264 473 HA SER 67 HA SER 67 -16.630 -0.866 -5.282 474 HB3 SER 67 2HB SER 67 -15.545 0.588 -2.911 475 HG SER 67 HG SER 67 -17.383 1.564 -2.470 476 H MET 68 H MET 68 -14.811 2.169 -5.001 477 HA MET 68 HA MET 68 -16.759 3.402 -6.836 478 HB3 MET 68 2HB MET 68 -17.076 4.851 -5.142 479 HG3 MET 68 2HG MET 68 -14.375 4.162 -4.008 480 HE1 MET 68 3HE MET 68 -13.350 6.295 -2.594 481 HE2 MET 68 1HE MET 68 -14.112 6.264 -1.003 482 HE3 MET 68 2HE MET 68 -13.683 4.753 -1.805 483 H LYS 69 H LYS 69 -13.544 4.397 -5.698 484 HA LYS 69 HA LYS 69 -12.641 4.386 -8.504 485 HB3 LYS 69 2HB LYS 69 -11.094 6.297 -7.664 486 HG3 LYS 69 2HG LYS 69 -13.989 6.520 -8.310 487 HD3 LYS 69 2HD LYS 69 -12.242 8.909 -7.735 488 HE3 LYS 69 2HE LYS 69 -15.213 8.960 -7.939 489 HZ1 LYS 69 3HZ LYS 69 -13.032 10.845 -8.649 490 HZ2 LYS 69 1HZ LYS 69 -14.125 10.983 -7.364 491 HZ3 LYS 69 2HZ LYS 69 -14.669 11.137 -8.958 492 H GLY 70 H GLY 70 -10.895 3.192 -8.911 493 HA2 GLY 70 2HA GLY 70 -9.678 1.558 -7.002 494 HA3 GLY 70 3HA GLY 70 -9.019 1.911 -8.592 495 H LEU 71 H LEU 71 -7.371 3.374 -8.805 496 HA LEU 71 HA LEU 71 -5.881 3.959 -6.425 497 HB3 LEU 71 2HB LEU 71 -5.176 5.179 -9.042 498 HG LEU 71 HG LEU 71 -3.683 5.038 -6.860 499 HD11 LEU 71 1HD1 LEU 71 -3.042 2.461 -8.286 500 HD12 LEU 71 2HD1 LEU 71 -3.818 2.593 -6.708 501 HD13 LEU 71 3HD1 LEU 71 -2.160 3.154 -6.925 502 HD21 LEU 71 3HD2 LEU 71 -1.724 5.235 -8.278 503 HD22 LEU 71 1HD2 LEU 71 -3.083 6.104 -8.992 504 HD23 LEU 71 2HD2 LEU 71 -2.609 4.531 -9.633 505 H ASP 72 H ASP 72 -8.282 5.568 -8.207 506 HA ASP 72 HA ASP 72 -7.464 8.253 -7.588 507 HB3 ASP 72 2HB ASP 72 -10.101 8.487 -8.197 508 H THR 73 H THR 73 -8.618 5.814 -5.711 509 HA THR 73 HA THR 73 -10.614 7.006 -4.145 510 HB THR 73 HB THR 73 -8.869 4.666 -3.916 511 HG1 THR 73 1HG THR 73 -11.504 5.191 -2.961 512 HG21 THR 73 3HG2 THR 73 -9.316 4.410 -1.461 513 HG22 THR 73 1HG2 THR 73 -9.779 6.111 -1.429 514 HG23 THR 73 2HG2 THR 73 -8.132 5.653 -1.865 515 H GLU 74 H GLU 74 -10.585 8.303 -2.368 516 HA GLU 74 HA GLU 74 -8.047 9.635 -1.785 517 HB3 GLU 74 2HB GLU 74 -10.088 10.968 -2.374 518 HG3 GLU 74 2HG GLU 74 -11.042 10.436 0.412 519 H ILE 75 H ILE 75 -7.551 10.187 0.473 520 HA ILE 75 HA ILE 75 -8.715 8.452 2.500 521 HB ILE 75 HB ILE 75 -6.344 7.826 3.250 522 HG13 ILE 75 2HG1 ILE 75 -5.139 9.346 1.749 523 HG21 ILE 75 1HG2 ILE 75 -6.341 5.829 1.871 524 HG22 ILE 75 2HG2 ILE 75 -7.987 6.242 2.348 525 HG23 ILE 75 3HG2 ILE 75 -7.426 6.604 0.716 526 HD11 ILE 75 3HD1 ILE 75 -4.291 6.872 0.467 527 HD12 ILE 75 1HD1 ILE 75 -3.386 8.003 1.474 528 HD13 ILE 75 2HD1 ILE 75 -4.395 6.765 2.225 529 H LYS 76 H LYS 76 -9.164 9.753 4.137 530 HA LYS 76 HA LYS 76 -7.820 12.271 4.489 531 HB3 LYS 76 2HB LYS 76 -9.384 12.652 6.287 532 HG3 LYS 76 2HG LYS 76 -10.917 11.086 4.231 533 HD3 LYS 76 2HD LYS 76 -11.945 12.189 6.379 534 HE3 LYS 76 2HE LYS 76 -11.939 14.545 4.508 535 HZ1 LYS 76 3HZ LYS 76 -13.376 13.908 6.812 536 HZ2 LYS 76 1HZ LYS 76 -13.393 15.360 5.943 537 HZ3 LYS 76 2HZ LYS 76 -12.307 15.153 7.224 538 H ASP 77 H ASP 77 -7.218 12.865 6.857 539 HA ASP 77 HA ASP 77 -4.932 11.390 7.553 540 HB3 ASP 77 2HB ASP 77 -5.537 13.850 8.080 541 H ASP 78 H ASP 78 -8.250 11.150 8.566 542 HA ASP 78 HA ASP 78 -7.700 9.523 10.874 543 HB3 ASP 78 2HB ASP 78 -10.387 9.585 9.564 544 H ASP 79 H ASP 79 -8.503 8.997 7.508 545 HA ASP 79 HA ASP 79 -9.321 6.360 7.531 546 HB3 ASP 79 2HB ASP 79 -8.218 6.252 5.226 547 H LYS 80 H LYS 80 -8.169 4.388 7.028 548 HA LYS 80 HA LYS 80 -5.316 4.347 7.603 549 HB3 LYS 80 2HB LYS 80 -6.495 4.129 9.799 550 HG3 LYS 80 2HG LYS 80 -7.442 1.501 8.671 551 HD3 LYS 80 2HD LYS 80 -7.334 2.646 11.434 552 HE3 LYS 80 2HE LYS 80 -9.742 2.044 10.644 553 HZ1 LYS 80 3HZ LYS 80 -8.481 -0.618 10.943 554 HZ2 LYS 80 1HZ LYS 80 -9.421 -0.044 9.658 555 HZ3 LYS 80 2HZ LYS 80 -10.142 -0.378 11.150 556 H ILE 81 H ILE 81 -4.252 2.723 6.577 557 HA ILE 81 HA ILE 81 -5.890 0.947 4.906 558 HB ILE 81 HB ILE 81 -2.955 1.584 4.596 559 HG13 ILE 81 2HG1 ILE 81 -5.396 3.008 3.719 560 HG21 ILE 81 1HG2 ILE 81 -4.678 -0.354 3.401 561 HG22 ILE 81 2HG2 ILE 81 -4.168 0.805 2.173 562 HG23 ILE 81 3HG2 ILE 81 -2.961 -0.069 3.117 563 HD11 ILE 81 3HD1 ILE 81 -4.274 4.775 4.421 564 HD12 ILE 81 1HD1 ILE 81 -2.978 3.697 4.937 565 HD13 ILE 81 2HD1 ILE 81 -2.937 4.419 3.328 566 H ASP 82 H ASP 82 -5.788 -1.217 5.089 567 HA ASP 82 HA ASP 82 -3.719 -2.375 6.829 568 HB3 ASP 82 2HB ASP 82 -5.307 -3.757 7.955 569 H LEU 83 H LEU 83 -2.763 -4.160 6.053 570 HA LEU 83 HA LEU 83 -3.910 -5.362 3.620 571 HB3 LEU 83 2HB LEU 83 -1.017 -5.501 4.411 572 HG LEU 83 HG LEU 83 -2.488 -6.330 2.053 573 HD11 LEU 83 1HD1 LEU 83 -0.567 -5.514 0.538 574 HD12 LEU 83 2HD1 LEU 83 -0.334 -4.272 1.767 575 HD13 LEU 83 3HD1 LEU 83 -1.878 -4.397 0.924 576 HD21 LEU 83 3HD2 LEU 83 0.085 -6.842 3.418 577 HD22 LEU 83 1HD2 LEU 83 0.018 -7.189 1.690 578 HD23 LEU 83 2HD2 LEU 83 -1.115 -7.973 2.791 579 H PHE 84 H PHE 84 -4.068 -7.564 3.454 580 HA PHE 84 HA PHE 84 -3.236 -9.144 5.794 581 HB3 PHE 84 2HB PHE 84 -5.416 -10.513 5.093 582 HD1 PHE 84 1HD PHE 84 -5.431 -6.975 6.286 583 HD2 PHE 84 2HD PHE 84 -6.024 -11.084 7.224 584 HE1 PHE 84 1HE PHE 84 -6.103 -6.354 8.570 585 HE2 PHE 84 2HE PHE 84 -6.697 -10.469 9.509 586 HZ PHE 84 HZ PHE 84 -6.736 -8.101 10.185 587 HA PRO 85 HA PRO 85 -1.326 -11.808 2.857 588 HB3 PRO 85 2HB PRO 85 -0.150 -12.673 4.631 589 HG3 PRO 85 2HG PRO 85 -1.127 -12.878 6.732 590 HD3 PRO 85 2HD PRO 85 -1.653 -10.684 6.263 591 HA PRO 86 HA PRO 86 -4.369 -14.235 0.807 592 HB3 PRO 86 2HB PRO 86 -2.825 -14.565 -0.862 593 HG3 PRO 86 2HG PRO 86 -0.573 -14.870 -0.371 594 HD3 PRO 86 2HD PRO 86 -0.996 -12.971 0.866 595 H VAL 87 H VAL 87 -5.619 -16.112 0.952 596 HA VAL 87 HA VAL 87 -5.804 -17.358 3.426 597 HB VAL 87 HB VAL 87 -7.230 -19.063 2.267 598 HG11 VAL 87 1HG1 VAL 87 -8.770 -17.139 1.253 599 HG12 VAL 87 2HG1 VAL 87 -8.558 -17.369 2.990 600 HG13 VAL 87 3HG1 VAL 87 -7.629 -16.132 2.142 601 HG21 VAL 87 3HG2 VAL 87 -5.916 -18.970 0.125 602 HG22 VAL 87 1HG2 VAL 87 -7.668 -18.908 -0.065 603 HG23 VAL 87 2HG2 VAL 87 -6.712 -17.433 -0.213 604 H ALA 88 H ALA 88 -3.842 -18.150 0.672 605 HA ALA 88 HA ALA 88 -3.211 -20.812 1.616 606 HB1 ALA 88 1HB ALA 88 -1.575 -19.526 -0.494 607 HB2 ALA 88 2HB ALA 88 -2.224 -21.163 -0.400 608 HB3 ALA 88 3HB ALA 88 -3.277 -19.822 -0.851 609 H GLY 89 H GLY 89 -1.910 -17.601 1.860 610 HA2 GLY 89 2HA GLY 89 0.739 -18.386 2.617 611 HA3 GLY 89 3HA GLY 89 0.039 -16.783 2.786 612 H GLY 90 H GLY 90 1.707 -17.883 4.722 613 HA2 GLY 90 2HA GLY 90 -0.198 -18.440 6.912 614 HA3 GLY 90 3HA GLY 90 1.432 -19.095 6.856 Start of MODEL 4 1 H1 MET 1 H MET 1 -3.033 12.386 7.622 2 HA MET 1 HA MET 1 -0.785 11.004 6.640 3 HB3 MET 1 2HB MET 1 -2.247 10.846 9.275 4 HG3 MET 1 2HG MET 1 0.103 9.323 8.321 5 HE1 MET 1 3HE MET 1 -0.655 8.544 11.772 6 HE2 MET 1 1HE MET 1 0.280 9.618 12.814 7 HE3 MET 1 2HE MET 1 -1.191 10.205 12.036 8 H VAL 2 H VAL 2 -0.391 8.833 6.294 9 HA VAL 2 HA VAL 2 -2.769 7.093 6.191 10 HB VAL 2 HB VAL 2 -1.795 5.970 4.239 11 HG11 VAL 2 1HG1 VAL 2 -3.365 7.573 3.624 12 HG12 VAL 2 2HG1 VAL 2 -2.329 8.916 4.110 13 HG13 VAL 2 3HG1 VAL 2 -1.957 7.997 2.651 14 HG21 VAL 2 3HG2 VAL 2 0.072 7.571 3.142 15 HG22 VAL 2 1HG2 VAL 2 0.455 7.776 4.850 16 HG23 VAL 2 2HG2 VAL 2 0.454 6.164 4.134 17 H THR 3 H THR 3 -2.576 5.045 6.967 18 HA THR 3 HA THR 3 0.063 4.255 8.016 19 HB THR 3 HB THR 3 -2.523 3.434 9.317 20 HG1 THR 3 1HG THR 3 -2.678 5.351 10.187 21 HG21 THR 3 3HG2 THR 3 -0.717 2.100 10.038 22 HG22 THR 3 1HG2 THR 3 -0.928 3.308 11.304 23 HG23 THR 3 2HG2 THR 3 0.375 3.481 10.127 24 H VAL 4 H VAL 4 0.758 2.246 7.548 25 HA VAL 4 HA VAL 4 -1.134 0.425 6.205 26 HB VAL 4 HB VAL 4 1.823 0.580 5.624 27 HG11 VAL 4 1HG1 VAL 4 -0.487 -0.822 4.291 28 HG12 VAL 4 2HG1 VAL 4 1.118 -0.669 3.573 29 HG13 VAL 4 3HG1 VAL 4 0.907 -1.558 5.082 30 HG21 VAL 4 3HG2 VAL 4 0.499 1.485 3.379 31 HG22 VAL 4 1HG2 VAL 4 -0.352 2.277 4.707 32 HG23 VAL 4 2HG2 VAL 4 1.392 2.478 4.530 33 H ARG 5 H ARG 5 -0.803 -1.824 6.510 34 HA ARG 5 HA ARG 5 0.817 -2.486 8.881 35 HB3 ARG 5 2HB ARG 5 -0.867 -4.185 9.446 36 HG3 ARG 5 2HG ARG 5 -2.502 -1.734 9.024 37 HD3 ARG 5 2HD ARG 5 -3.367 -3.664 10.303 38 HE ARG 5 HE ARG 5 -0.882 -3.501 11.708 39 HH11 ARG 5 1HH1 ARG 5 -4.244 -4.356 12.006 40 HH12 ARG 5 2HH1 ARG 5 -3.980 -5.470 13.306 41 HH21 ARG 5 1HH2 ARG 5 -0.522 -4.965 13.419 42 HH22 ARG 5 2HH2 ARG 5 -1.863 -5.815 14.110 43 H TYR 6 H TYR 6 1.758 -4.581 8.947 44 HA TYR 6 HA TYR 6 1.724 -6.143 6.481 45 HB3 TYR 6 2HB TYR 6 4.050 -6.081 6.115 46 HD1 TYR 6 2HD TYR 6 2.852 -4.628 4.393 47 HD2 TYR 6 1HD TYR 6 4.538 -3.060 7.971 48 HE1 TYR 6 2HE TYR 6 2.860 -2.379 3.397 49 HE2 TYR 6 1HE TYR 6 4.550 -0.807 6.986 50 HH TYR 6 HH TYR 6 4.202 0.400 5.145 51 H TYR 7 H TYR 7 1.400 -8.184 7.031 52 HA TYR 7 HA TYR 7 1.713 -9.101 9.718 53 HB3 TYR 7 2HB TYR 7 1.239 -11.383 8.451 54 HD1 TYR 7 2HD TYR 7 -0.519 -8.091 8.527 55 HD2 TYR 7 1HD TYR 7 -0.728 -12.269 9.305 56 HE1 TYR 7 2HE TYR 7 -2.735 -7.784 9.550 57 HE2 TYR 7 1HE TYR 7 -2.944 -11.975 10.329 58 HH TYR 7 HH TYR 7 -4.300 -10.280 11.328 59 H ALA 8 H ALA 8 2.769 -11.423 9.928 60 HA ALA 8 HA ALA 8 5.528 -11.092 9.850 61 HB1 ALA 8 1HB ALA 8 3.695 -13.358 10.347 62 HB2 ALA 8 2HB ALA 8 5.370 -13.759 9.965 63 HB3 ALA 8 3HB ALA 8 5.005 -12.715 11.339 64 H THR 9 H THR 9 3.347 -12.493 7.486 65 HA THR 9 HA THR 9 5.177 -13.823 5.860 66 HB THR 9 HB THR 9 3.343 -12.779 4.066 67 HG1 THR 9 1HG THR 9 2.235 -11.787 5.840 68 HG21 THR 9 3HG2 THR 9 2.133 -14.970 4.497 69 HG22 THR 9 1HG2 THR 9 3.310 -15.257 5.778 70 HG23 THR 9 2HG2 THR 9 3.849 -15.092 4.107 71 H LEU 10 H LEU 10 4.390 -10.417 6.091 72 HA LEU 10 HA LEU 10 6.086 -9.790 3.796 73 HB3 LEU 10 2HB LEU 10 5.255 -7.543 3.990 74 HG LEU 10 HG LEU 10 3.019 -7.740 3.459 75 HD11 LEU 10 1HD1 LEU 10 2.742 -9.801 2.225 76 HD12 LEU 10 2HD1 LEU 10 4.037 -10.561 3.150 77 HD13 LEU 10 3HD1 LEU 10 4.400 -9.221 2.061 78 HD21 LEU 10 3HD2 LEU 10 1.548 -8.593 4.884 79 HD22 LEU 10 1HD2 LEU 10 2.878 -9.203 5.869 80 HD23 LEU 10 2HD2 LEU 10 2.181 -10.216 4.604 81 H ARG 11 H ARG 11 7.512 -10.899 5.858 82 HA ARG 11 HA ARG 11 8.602 -8.992 7.654 83 HB3 ARG 11 2HB ARG 11 9.224 -11.771 6.835 84 HG3 ARG 11 2HG ARG 11 11.278 -9.941 8.024 85 HD3 ARG 11 2HD ARG 11 11.097 -12.941 8.269 86 HE ARG 11 HE ARG 11 13.425 -11.383 8.184 87 HH11 ARG 11 1HH1 ARG 11 11.905 -13.805 10.168 88 HH12 ARG 11 2HH1 ARG 11 13.402 -14.443 10.765 89 HH21 ARG 11 1HH2 ARG 11 15.402 -12.213 8.961 90 HH22 ARG 11 2HH2 ARG 11 15.391 -13.536 10.079 91 HA PRO 12 HA PRO 12 12.316 -8.811 4.566 92 HB3 PRO 12 2HB PRO 12 12.595 -10.830 3.507 93 HG3 PRO 12 2HG PRO 12 10.768 -12.165 2.970 94 HD3 PRO 12 2HD PRO 12 10.307 -11.734 5.186 95 H ILE 13 H ILE 13 9.076 -8.158 3.966 96 HA ILE 13 HA ILE 13 9.509 -6.436 1.672 97 HB ILE 13 HB ILE 13 6.974 -6.467 3.265 98 HG13 ILE 13 2HG1 ILE 13 6.206 -8.401 1.931 99 HG21 ILE 13 1HG2 ILE 13 5.982 -6.139 1.031 100 HG22 ILE 13 2HG2 ILE 13 7.140 -4.878 1.453 101 HG23 ILE 13 3HG2 ILE 13 7.601 -6.159 0.333 102 HD11 ILE 13 3HD1 ILE 13 9.081 -8.599 1.064 103 HD12 ILE 13 1HD1 ILE 13 7.868 -9.864 0.860 104 HD13 ILE 13 2HD1 ILE 13 7.680 -8.319 0.030 105 H THR 14 H THR 14 8.188 -5.945 4.951 106 HA THR 14 HA THR 14 9.021 -3.134 4.790 107 HB THR 14 HB THR 14 6.655 -3.487 5.313 108 HG1 THR 14 1HG THR 14 8.222 -1.889 6.507 109 HG21 THR 14 3HG2 THR 14 7.780 -5.132 7.560 110 HG22 THR 14 1HG2 THR 14 6.537 -5.567 6.386 111 HG23 THR 14 2HG2 THR 14 6.176 -4.408 7.666 112 H LYS 15 H LYS 15 10.611 -5.667 5.538 113 HA LYS 15 HA LYS 15 12.226 -6.286 7.022 114 HB3 LYS 15 2HB LYS 15 13.640 -4.535 7.841 115 HG3 LYS 15 2HG LYS 15 12.363 -3.594 5.280 116 HD3 LYS 15 2HD LYS 15 13.745 -1.874 6.451 117 HE3 LYS 15 2HE LYS 15 15.318 -3.484 7.512 118 HZ1 LYS 15 3HZ LYS 15 15.795 -4.975 5.753 119 HZ2 LYS 15 1HZ LYS 15 17.236 -4.157 6.092 120 HZ3 LYS 15 2HZ LYS 15 16.323 -3.733 4.733 121 H LYS 16 H LYS 16 9.507 -6.338 7.984 122 HA LYS 16 HA LYS 16 8.337 -6.674 9.905 123 HB3 LYS 16 2HB LYS 16 9.820 -7.136 11.976 124 HG3 LYS 16 2HG LYS 16 10.601 -8.937 9.739 125 HD3 LYS 16 2HD LYS 16 9.806 -10.621 11.458 126 HE3 LYS 16 2HE LYS 16 11.942 -8.941 12.684 127 HZ1 LYS 16 3HZ LYS 16 12.845 -11.461 12.190 128 HZ2 LYS 16 1HZ LYS 16 11.215 -11.706 12.568 129 HZ3 LYS 16 2HZ LYS 16 12.225 -10.902 13.662 130 H LYS 17 H LYS 17 8.101 -4.177 9.320 131 HA LYS 17 HA LYS 17 8.079 -2.829 11.869 132 HB3 LYS 17 2HB LYS 17 9.173 -0.759 10.682 133 HG3 LYS 17 2HG LYS 17 11.042 -2.977 11.457 134 HD3 LYS 17 2HD LYS 17 12.239 -1.017 12.504 135 HE3 LYS 17 2HE LYS 17 11.848 -1.106 9.517 136 HZ1 LYS 17 3HZ LYS 17 14.281 -0.123 9.815 137 HZ2 LYS 17 1HZ LYS 17 13.548 0.594 11.161 138 HZ3 LYS 17 2HZ LYS 17 12.920 0.863 9.614 139 H GLU 18 H GLU 18 7.166 -0.501 11.515 140 HA GLU 18 HA GLU 18 5.428 -0.265 9.209 141 HB3 GLU 18 2HB GLU 18 4.370 -0.683 12.000 142 HG3 GLU 18 2HG GLU 18 2.924 0.428 9.609 143 H GLU 19 H GLU 19 4.763 1.825 8.816 144 HA GLU 19 HA GLU 19 5.120 3.892 10.798 145 HB3 GLU 19 2HB GLU 19 6.576 5.152 8.969 146 HG3 GLU 19 2HG GLU 19 8.064 3.118 10.569 147 H THR 20 H THR 20 4.457 6.037 9.961 148 HA THR 20 HA THR 20 2.342 5.710 7.947 149 HB THR 20 HB THR 20 1.479 7.898 8.928 150 HG1 THR 20 1HG THR 20 3.120 7.194 11.137 151 HG21 THR 20 3HG2 THR 20 0.359 6.792 10.762 152 HG22 THR 20 1HG2 THR 20 1.592 5.534 10.803 153 HG23 THR 20 2HG2 THR 20 0.512 5.664 9.416 154 H PHE 21 H PHE 21 1.892 7.592 6.553 155 HA PHE 21 HA PHE 21 4.289 9.193 5.975 156 HB3 PHE 21 2HB PHE 21 3.645 8.917 3.509 157 HD1 PHE 21 1HD PHE 21 3.748 5.655 5.263 158 HD2 PHE 21 2HD PHE 21 5.933 8.633 3.146 159 HE1 PHE 21 1HE PHE 21 5.697 4.156 5.174 160 HE2 PHE 21 2HE PHE 21 7.885 7.137 3.053 161 HZ PHE 21 HZ PHE 21 7.769 4.896 4.068 162 H ASN 22 H ASN 22 3.859 11.153 4.751 163 HA ASN 22 HA ASN 22 1.088 12.106 5.052 164 HB3 ASN 22 2HB ASN 22 2.817 13.014 6.728 165 HD21 ASN 22 1HD2 ASN 22 4.994 12.894 6.279 166 HD22 ASN 22 2HD2 ASN 22 5.824 14.099 5.358 167 H GLY 23 H GLY 23 0.553 13.966 3.641 168 HA2 GLY 23 2HA GLY 23 1.753 15.155 1.626 169 HA3 GLY 23 3HA GLY 23 1.707 13.520 0.987 170 H ILE 24 H ILE 24 0.097 13.193 -0.380 171 HA ILE 24 HA ILE 24 -2.260 14.908 -0.264 172 HB ILE 24 HB ILE 24 -1.067 14.524 -2.428 173 HG13 ILE 24 2HG1 ILE 24 -3.778 14.724 -1.902 174 HG21 ILE 24 1HG2 ILE 24 -2.216 11.747 -2.184 175 HG22 ILE 24 2HG2 ILE 24 -1.385 12.407 -3.590 176 HG23 ILE 24 3HG2 ILE 24 -0.506 12.168 -2.080 177 HD11 ILE 24 3HD1 ILE 24 -2.543 14.759 -4.644 178 HD12 ILE 24 1HD1 ILE 24 -4.043 15.537 -4.142 179 HD13 ILE 24 2HD1 ILE 24 -2.499 16.101 -3.501 180 H SER 25 H SER 25 -4.372 14.129 -0.144 181 HA SER 25 HA SER 25 -4.667 11.708 1.394 182 HB3 SER 25 2HB SER 25 -7.148 12.385 1.277 183 HG SER 25 HG SER 25 -5.086 13.892 2.450 184 H LYS 26 H LYS 26 -3.699 10.718 -0.786 185 HA LYS 26 HA LYS 26 -5.948 9.335 -2.015 186 HB3 LYS 26 2HB LYS 26 -4.678 9.621 -4.279 187 HG3 LYS 26 2HG LYS 26 -6.063 12.097 -3.304 188 HD3 LYS 26 2HD LYS 26 -7.073 11.845 -5.639 189 HE3 LYS 26 2HE LYS 26 -4.130 12.239 -5.874 190 HZ1 LYS 26 3HZ LYS 26 -5.355 14.468 -6.699 191 HZ2 LYS 26 1HZ LYS 26 -6.553 13.319 -7.028 192 HZ3 LYS 26 2HZ LYS 26 -5.013 13.152 -7.705 193 H ILE 27 H ILE 27 -5.375 7.328 -2.986 194 HA ILE 27 HA ILE 27 -3.172 6.039 -1.680 195 HB ILE 27 HB ILE 27 -5.082 4.991 -3.773 196 HG13 ILE 27 2HG1 ILE 27 -6.246 3.944 -1.927 197 HG21 ILE 27 1HG2 ILE 27 -3.054 3.697 -3.813 198 HG22 ILE 27 2HG2 ILE 27 -3.067 3.553 -2.056 199 HG23 ILE 27 3HG2 ILE 27 -4.317 2.759 -3.015 200 HD11 ILE 27 3HD1 ILE 27 -5.258 5.172 0.368 201 HD12 ILE 27 1HD1 ILE 27 -5.205 3.457 -0.039 202 HD13 ILE 27 2HD1 ILE 27 -3.847 4.504 -0.452 203 H SER 28 H SER 28 -3.680 7.546 -4.733 204 HA SER 28 HA SER 28 -1.932 6.228 -6.411 205 HB3 SER 28 2HB SER 28 -1.945 9.219 -6.442 206 HG SER 28 HG SER 28 -2.425 8.657 -8.705 207 H GLU 29 H GLU 29 -1.161 8.966 -4.262 208 HA GLU 29 HA GLU 29 1.647 8.783 -4.770 209 HB3 GLU 29 2HB GLU 29 1.760 10.367 -2.764 210 HG3 GLU 29 2HG GLU 29 0.878 12.273 -3.934 211 H LEU 30 H LEU 30 -0.531 7.604 -2.280 212 HA LEU 30 HA LEU 30 1.330 6.834 -0.352 213 HB3 LEU 30 2HB LEU 30 -1.277 5.511 -1.094 214 HG LEU 30 HG LEU 30 -1.345 5.055 1.446 215 HD11 LEU 30 1HD1 LEU 30 -1.106 3.428 -0.537 216 HD12 LEU 30 2HD1 LEU 30 -0.682 2.861 1.078 217 HD13 LEU 30 3HD1 LEU 30 0.587 3.328 -0.053 218 HD21 LEU 30 3HD2 LEU 30 1.629 4.882 1.149 219 HD22 LEU 30 1HD2 LEU 30 0.650 4.874 2.616 220 HD23 LEU 30 2HD2 LEU 30 0.864 6.370 1.706 221 H LEU 31 H LEU 31 -0.039 4.925 -3.029 222 HA LEU 31 HA LEU 31 1.591 2.647 -2.511 223 HB3 LEU 31 2HB LEU 31 0.867 2.094 -4.939 224 HG LEU 31 HG LEU 31 -1.310 2.455 -2.880 225 HD11 LEU 31 1HD1 LEU 31 -2.583 1.956 -4.670 226 HD12 LEU 31 2HD1 LEU 31 -2.024 0.315 -4.346 227 HD13 LEU 31 3HD1 LEU 31 -1.230 1.288 -5.584 228 HD21 LEU 31 3HD2 LEU 31 -0.860 -0.037 -2.575 229 HD22 LEU 31 1HD2 LEU 31 0.312 1.086 -1.882 230 HD23 LEU 31 2HD2 LEU 31 0.672 0.258 -3.398 231 H GLU 32 H GLU 32 1.736 5.273 -4.896 232 HA GLU 32 HA GLU 32 3.953 4.409 -6.334 233 HB3 GLU 32 2HB GLU 32 3.215 7.269 -5.693 234 HG3 GLU 32 2HG GLU 32 5.400 7.057 -6.787 235 H ARG 33 H ARG 33 3.772 6.232 -3.320 236 HA ARG 33 HA ARG 33 6.604 6.664 -3.163 237 HB3 ARG 33 2HB ARG 33 4.579 6.867 -0.933 238 HG3 ARG 33 2HG ARG 33 7.183 8.312 -1.374 239 HD3 ARG 33 2HD ARG 33 5.523 8.397 1.112 240 HE ARG 33 HE ARG 33 7.403 9.617 1.589 241 HH11 ARG 33 1HH1 ARG 33 6.233 10.490 -1.572 242 HH12 ARG 33 2HH1 ARG 33 7.320 11.827 -1.748 243 HH21 ARG 33 1HH2 ARG 33 8.840 11.375 1.368 244 HH22 ARG 33 2HH2 ARG 33 8.804 12.329 -0.076 245 H LEU 34 H LEU 34 4.303 4.574 -1.424 246 HA LEU 34 HA LEU 34 6.146 3.270 0.211 247 HB3 LEU 34 2HB LEU 34 4.380 1.343 -0.013 248 HG LEU 34 HG LEU 34 3.518 3.999 1.132 249 HD11 LEU 34 1HD1 LEU 34 2.577 1.395 2.191 250 HD12 LEU 34 2HD1 LEU 34 1.866 1.970 0.683 251 HD13 LEU 34 3HD1 LEU 34 1.766 2.962 2.138 252 HD21 LEU 34 3HD2 LEU 34 5.573 2.177 1.912 253 HD22 LEU 34 1HD2 LEU 34 4.288 2.152 3.119 254 HD23 LEU 34 2HD2 LEU 34 5.064 3.676 2.689 255 H LYS 35 H LYS 35 5.307 2.758 -3.140 256 HA LYS 35 HA LYS 35 6.270 0.204 -3.581 257 HB3 LYS 35 2HB LYS 35 6.186 2.661 -5.310 258 HG3 LYS 35 2HG LYS 35 7.076 -0.077 -6.197 259 HD3 LYS 35 2HD LYS 35 7.418 1.290 -8.373 260 HE3 LYS 35 2HE LYS 35 5.067 0.847 -9.073 261 HZ1 LYS 35 3HZ LYS 35 5.156 -1.526 -8.712 262 HZ2 LYS 35 1HZ LYS 35 6.293 -1.335 -7.473 263 HZ3 LYS 35 2HZ LYS 35 6.705 -0.946 -9.067 264 H VAL 36 H VAL 36 8.074 3.268 -3.749 265 HA VAL 36 HA VAL 36 10.585 1.936 -4.171 266 HB VAL 36 HB VAL 36 10.081 4.815 -3.411 267 HG11 VAL 36 1HG1 VAL 36 12.493 3.431 -4.577 268 HG12 VAL 36 2HG1 VAL 36 12.310 5.181 -4.431 269 HG13 VAL 36 3HG1 VAL 36 12.362 4.174 -2.983 270 HG21 VAL 36 3HG2 VAL 36 10.364 5.255 -5.838 271 HG22 VAL 36 1HG2 VAL 36 10.343 3.513 -6.118 272 HG23 VAL 36 2HG2 VAL 36 8.918 4.319 -5.461 273 H GLU 37 H GLU 37 8.863 3.319 -1.441 274 HA GLU 37 HA GLU 37 10.836 3.534 0.454 275 HB3 GLU 37 2HB GLU 37 9.012 2.853 2.112 276 HG3 GLU 37 2HG GLU 37 7.484 4.779 1.474 277 H TYR 38 H TYR 38 8.943 0.612 -0.295 278 HA TYR 38 HA TYR 38 10.849 -0.979 1.262 279 HB3 TYR 38 2HB TYR 38 9.198 -2.758 1.177 280 HD1 TYR 38 2HD TYR 38 9.775 -1.337 3.416 281 HD2 TYR 38 1HD TYR 38 6.355 -0.807 0.941 282 HE1 TYR 38 2HE TYR 38 8.570 -0.330 5.308 283 HE2 TYR 38 1HE TYR 38 5.140 0.203 2.826 284 HH TYR 38 HH TYR 38 6.567 1.351 5.529 285 H GLY 39 H GLY 39 9.489 -0.646 -1.977 286 HA2 GLY 39 2HA GLY 39 11.206 -1.038 -3.761 287 HA3 GLY 39 3HA GLY 39 11.523 -2.560 -2.943 288 H SER 40 H SER 40 10.958 -2.713 -5.547 289 HA SER 40 HA SER 40 8.314 -2.829 -6.368 290 HB3 SER 40 2HB SER 40 10.030 -3.044 -8.012 291 HG SER 40 HG SER 40 11.385 -4.935 -8.009 292 H GLU 41 H GLU 41 10.166 -5.094 -4.457 293 HA GLU 41 HA GLU 41 8.650 -7.392 -4.667 294 HB3 GLU 41 2HB GLU 41 9.414 -6.961 -1.917 295 HG3 GLU 41 2HG GLU 41 9.371 -9.124 -3.273 296 H PHE 42 H PHE 42 8.133 -4.600 -2.543 297 HA PHE 42 HA PHE 42 5.900 -5.637 -1.175 298 HB3 PHE 42 2HB PHE 42 6.818 -2.808 -1.691 299 HD1 PHE 42 1HD PHE 42 4.649 -4.693 0.698 300 HD2 PHE 42 2HD PHE 42 5.282 -1.125 -1.536 301 HE1 PHE 42 1HE PHE 42 2.579 -3.746 1.629 302 HE2 PHE 42 2HE PHE 42 3.212 -0.173 -0.607 303 HZ PHE 42 HZ PHE 42 1.858 -1.483 0.980 304 H THR 43 H THR 43 6.073 -3.365 -3.914 305 HA THR 43 HA THR 43 3.343 -3.060 -4.339 306 HB THR 43 HB THR 43 5.071 -3.171 -6.753 307 HG1 THR 43 1HG THR 43 5.555 -1.522 -4.506 308 HG21 THR 43 3HG2 THR 43 3.619 -1.643 -7.520 309 HG22 THR 43 1HG2 THR 43 3.695 -0.693 -6.036 310 HG23 THR 43 2HG2 THR 43 2.623 -2.091 -6.136 311 H LYS 44 H LYS 44 5.575 -5.448 -5.731 312 HA LYS 44 HA LYS 44 3.585 -6.747 -7.299 313 HB3 LYS 44 2HB LYS 44 5.275 -8.489 -7.633 314 HG3 LYS 44 2HG LYS 44 7.310 -6.865 -8.116 315 HD3 LYS 44 2HD LYS 44 5.891 -6.035 -10.149 316 HE3 LYS 44 2HE LYS 44 6.495 -8.916 -9.520 317 HZ1 LYS 44 3HZ LYS 44 4.998 -7.900 -11.682 318 HZ2 LYS 44 1HZ LYS 44 5.456 -9.499 -11.370 319 HZ3 LYS 44 2HZ LYS 44 6.475 -8.486 -12.262 320 H GLN 45 H GLN 45 4.641 -7.017 -4.007 321 HA GLN 45 HA GLN 45 3.524 -9.614 -3.541 322 HB3 GLN 45 2HB GLN 45 4.498 -7.437 -1.695 323 HG3 GLN 45 2HG GLN 45 4.558 -9.523 -0.083 324 HE21 GLN 45 1HE2 GLN 45 1.366 -9.529 -0.018 325 HE22 GLN 45 2HE2 GLN 45 1.046 -8.078 0.863 326 H MET 46 H MET 46 2.481 -6.282 -2.978 327 HA MET 46 HA MET 46 -0.090 -7.234 -1.966 328 HB3 MET 46 2HB MET 46 1.030 -5.441 -0.722 329 HG3 MET 46 2HG MET 46 1.646 -4.373 -3.213 330 HE1 MET 46 3HE MET 46 -0.171 -1.168 -0.877 331 HE2 MET 46 1HE MET 46 -1.550 -2.261 -0.984 332 HE3 MET 46 2HE MET 46 -0.020 -2.835 -0.322 333 H TYR 47 H TYR 47 1.160 -6.858 -4.896 334 HA TYR 47 HA TYR 47 -1.298 -6.754 -6.239 335 HB3 TYR 47 2HB TYR 47 0.175 -4.275 -6.947 336 HD1 TYR 47 2HD TYR 47 -3.140 -5.671 -5.915 337 HD2 TYR 47 1HD TYR 47 -0.993 -3.135 -8.574 338 HE1 TYR 47 2HE TYR 47 -5.220 -5.206 -7.143 339 HE2 TYR 47 1HE TYR 47 -3.068 -2.662 -9.808 340 HH TYR 47 HH TYR 47 -6.183 -3.754 -8.650 341 H ASP 48 H ASP 48 -0.502 -8.439 -7.423 342 HA ASP 48 HA ASP 48 2.011 -8.146 -8.857 343 HB3 ASP 48 2HB ASP 48 0.047 -10.426 -8.599 344 H GLY 49 H GLY 49 1.551 -6.531 -10.365 345 HA2 GLY 49 2HA GLY 49 1.079 -5.943 -12.558 346 HA3 GLY 49 3HA GLY 49 0.245 -7.478 -12.756 347 H ASN 50 H ASN 50 -1.952 -7.640 -12.209 348 HA ASN 50 HA ASN 50 -3.305 -5.037 -11.925 349 HB3 ASN 50 2HB ASN 50 -3.567 -6.384 -14.113 350 HD21 ASN 50 1HD2 ASN 50 -3.275 -8.548 -14.291 351 HD22 ASN 50 2HD2 ASN 50 -4.450 -9.720 -13.810 352 H ASN 51 H ASN 51 -2.823 -8.132 -10.582 353 HA ASN 51 HA ASN 51 -4.668 -7.509 -8.423 354 HB3 ASN 51 2HB ASN 51 -5.952 -8.866 -10.113 355 HD21 ASN 51 1HD2 ASN 51 -5.518 -11.672 -8.534 356 HD22 ASN 51 2HD2 ASN 51 -4.604 -12.547 -9.712 357 H LEU 52 H LEU 52 -4.397 -9.018 -6.572 358 HA LEU 52 HA LEU 52 -1.792 -9.202 -5.724 359 HB3 LEU 52 2HB LEU 52 -2.574 -10.709 -3.989 360 HG LEU 52 HG LEU 52 -3.958 -9.321 -2.869 361 HD11 LEU 52 1HD1 LEU 52 -3.610 -7.100 -3.472 362 HD12 LEU 52 2HD1 LEU 52 -3.662 -7.459 -5.198 363 HD13 LEU 52 3HD1 LEU 52 -2.268 -7.953 -4.236 364 HD21 LEU 52 3HD2 LEU 52 -6.096 -9.088 -3.437 365 HD22 LEU 52 1HD2 LEU 52 -5.728 -9.971 -4.919 366 HD23 LEU 52 2HD2 LEU 52 -5.675 -8.208 -4.907 367 H PHE 53 H PHE 53 -0.425 -11.070 -5.302 368 HA PHE 53 HA PHE 53 -0.164 -12.711 -7.645 369 HB3 PHE 53 2HB PHE 53 1.407 -12.550 -5.071 370 HD1 PHE 53 1HD PHE 53 1.397 -14.096 -8.460 371 HD2 PHE 53 2HD PHE 53 2.947 -14.160 -4.497 372 HE1 PHE 53 1HE PHE 53 2.601 -16.181 -8.969 373 HE2 PHE 53 2HE PHE 53 4.154 -16.244 -4.999 374 HZ PHE 53 HZ PHE 53 3.983 -17.257 -7.237 375 H LYS 54 H LYS 54 -0.285 -13.586 -4.187 376 HA LYS 54 HA LYS 54 -1.252 -16.235 -4.879 377 HB3 LYS 54 2HB LYS 54 -0.621 -14.991 -2.195 378 HG3 LYS 54 2HG LYS 54 -2.177 -16.886 -1.982 379 HD3 LYS 54 2HD LYS 54 -0.608 -19.097 -2.499 380 HE3 LYS 54 2HE LYS 54 -2.579 -18.068 -4.508 381 HZ1 LYS 54 3HZ LYS 54 -1.379 -20.443 -4.270 382 HZ2 LYS 54 1HZ LYS 54 -2.899 -20.223 -4.980 383 HZ3 LYS 54 2HZ LYS 54 -2.782 -20.722 -3.368 384 H ASN 55 H ASN 55 -2.339 -13.598 -2.734 385 HA ASN 55 HA ASN 55 -4.905 -13.317 -3.519 386 HB3 ASN 55 2HB ASN 55 -5.783 -14.957 -1.457 387 HD21 ASN 55 1HD2 ASN 55 -6.987 -13.619 -3.408 388 HD22 ASN 55 2HD2 ASN 55 -7.695 -14.691 -4.563 389 H VAL 56 H VAL 56 -3.069 -11.727 -2.312 390 HA VAL 56 HA VAL 56 -3.389 -11.431 0.484 391 HB VAL 56 HB VAL 56 -2.675 -9.193 -1.400 392 HG11 VAL 56 1HG1 VAL 56 -1.403 -8.344 0.445 393 HG12 VAL 56 2HG1 VAL 56 -3.032 -8.707 1.020 394 HG13 VAL 56 3HG1 VAL 56 -1.701 -9.805 1.386 395 HG21 VAL 56 3HG2 VAL 56 -1.248 -10.882 -2.155 396 HG22 VAL 56 1HG2 VAL 56 -0.282 -10.014 -0.961 397 HG23 VAL 56 2HG2 VAL 56 -1.035 -11.553 -0.537 398 H ILE 57 H ILE 57 -4.751 -10.189 1.689 399 HA ILE 57 HA ILE 57 -6.956 -8.873 0.242 400 HB ILE 57 HB ILE 57 -7.034 -10.230 2.938 401 HG13 ILE 57 2HG1 ILE 57 -7.124 -11.443 0.528 402 HG21 ILE 57 1HG2 ILE 57 -8.734 -8.868 3.393 403 HG22 ILE 57 2HG2 ILE 57 -8.730 -8.210 1.758 404 HG23 ILE 57 3HG2 ILE 57 -9.628 -9.686 2.111 405 HD11 ILE 57 3HD1 ILE 57 -7.541 -12.287 3.047 406 HD12 ILE 57 1HD1 ILE 57 -9.144 -12.536 2.355 407 HD13 ILE 57 2HD1 ILE 57 -7.735 -13.301 1.619 408 H ILE 58 H ILE 58 -6.613 -6.745 0.300 409 HA ILE 58 HA ILE 58 -5.881 -5.536 2.887 410 HB ILE 58 HB ILE 58 -3.992 -5.017 1.707 411 HG13 ILE 58 2HG1 ILE 58 -5.278 -2.926 2.334 412 HG21 ILE 58 1HG2 ILE 58 -5.712 -4.982 -0.760 413 HG22 ILE 58 2HG2 ILE 58 -4.024 -4.472 -0.757 414 HG23 ILE 58 3HG2 ILE 58 -4.445 -6.131 -0.332 415 HD11 ILE 58 3HD1 ILE 58 -3.934 -1.368 0.956 416 HD12 ILE 58 1HD1 ILE 58 -2.987 -2.640 1.726 417 HD13 ILE 58 2HD1 ILE 58 -3.379 -2.749 0.010 418 H LEU 59 H LEU 59 -7.101 -3.870 3.596 419 HA LEU 59 HA LEU 59 -9.220 -2.883 1.800 420 HB3 LEU 59 2HB LEU 59 -10.448 -2.502 4.061 421 HG LEU 59 HG LEU 59 -10.163 -5.284 2.934 422 HD11 LEU 59 1HD1 LEU 59 -12.395 -5.609 4.099 423 HD12 LEU 59 2HD1 LEU 59 -11.986 -4.184 5.052 424 HD13 LEU 59 3HD1 LEU 59 -10.957 -5.614 5.119 425 HD21 LEU 59 3HD2 LEU 59 -11.084 -3.818 1.311 426 HD22 LEU 59 1HD2 LEU 59 -12.128 -3.044 2.503 427 HD23 LEU 59 2HD2 LEU 59 -12.435 -4.710 2.012 428 H VAL 60 H VAL 60 -9.630 -0.713 1.775 429 HA VAL 60 HA VAL 60 -7.811 0.971 3.372 430 HB VAL 60 HB VAL 60 -9.016 1.568 0.666 431 HG11 VAL 60 1HG1 VAL 60 -8.791 3.664 1.572 432 HG12 VAL 60 2HG1 VAL 60 -7.439 3.193 2.604 433 HG13 VAL 60 3HG1 VAL 60 -7.187 3.439 0.875 434 HG21 VAL 60 3HG2 VAL 60 -6.291 0.661 1.537 435 HG22 VAL 60 1HG2 VAL 60 -7.331 -0.003 0.277 436 HG23 VAL 60 2HG2 VAL 60 -6.528 1.548 0.031 437 H ASN 61 H ASN 61 -8.831 1.977 4.967 438 HA ASN 61 HA ASN 61 -10.377 3.154 6.148 439 HB3 ASN 61 2HB ASN 61 -11.605 3.841 3.472 440 HD21 ASN 61 1HD2 ASN 61 -10.796 4.965 6.736 441 HD22 ASN 61 2HD2 ASN 61 -12.201 5.954 6.927 442 H GLY 62 H GLY 62 -10.848 0.337 5.346 443 HA2 GLY 62 2HA GLY 62 -12.487 -1.185 5.948 444 HA3 GLY 62 3HA GLY 62 -13.559 0.162 6.303 445 H ASN 63 H ASN 63 -11.916 -0.366 3.237 446 HA ASN 63 HA ASN 63 -14.007 -1.684 1.900 447 HB3 ASN 63 2HB ASN 63 -13.964 1.176 1.037 448 HD21 ASN 63 1HD2 ASN 63 -16.730 -0.521 2.227 449 HD22 ASN 63 2HD2 ASN 63 -17.448 -0.853 0.692 450 H ASN 64 H ASN 64 -13.411 -2.274 -0.152 451 HA ASN 64 HA ASN 64 -10.670 -1.938 -0.848 452 HB3 ASN 64 2HB ASN 64 -11.745 -4.019 -1.389 453 HD21 ASN 64 1HD2 ASN 64 -12.813 -3.287 -4.394 454 HD22 ASN 64 2HD2 ASN 64 -14.519 -3.371 -4.128 455 H ILE 65 H ILE 65 -9.734 -0.469 -2.118 456 HA ILE 65 HA ILE 65 -11.064 1.823 -3.005 457 HB ILE 65 HB ILE 65 -9.023 2.365 -4.245 458 HG13 ILE 65 2HG1 ILE 65 -8.527 0.138 -5.137 459 HG21 ILE 65 1HG2 ILE 65 -9.291 2.078 -1.529 460 HG22 ILE 65 2HG2 ILE 65 -7.773 1.245 -1.861 461 HG23 ILE 65 3HG2 ILE 65 -7.981 2.927 -2.349 462 HD11 ILE 65 3HD1 ILE 65 -6.064 0.145 -3.777 463 HD12 ILE 65 1HD1 ILE 65 -6.430 0.778 -5.382 464 HD13 ILE 65 2HD1 ILE 65 -6.559 1.827 -3.970 465 H THR 66 H THR 66 -10.407 -1.217 -4.603 466 HA THR 66 HA THR 66 -10.839 -0.480 -7.260 467 HB THR 66 HB THR 66 -11.564 -2.883 -7.584 468 HG1 THR 66 1HG THR 66 -10.770 -3.278 -4.899 469 HG21 THR 66 3HG2 THR 66 -8.989 -1.939 -6.487 470 HG22 THR 66 1HG2 THR 66 -9.338 -2.774 -7.999 471 HG23 THR 66 2HG2 THR 66 -9.235 -3.685 -6.493 472 H SER 67 H SER 67 -13.075 -0.958 -4.646 473 HA SER 67 HA SER 67 -15.443 -1.510 -5.934 474 HB3 SER 67 2HB SER 67 -15.451 0.552 -3.764 475 HG SER 67 HG SER 67 -17.385 -0.222 -3.591 476 H MET 68 H MET 68 -13.872 1.636 -5.513 477 HA MET 68 HA MET 68 -15.728 2.735 -7.520 478 HB3 MET 68 2HB MET 68 -16.320 4.155 -5.877 479 HG3 MET 68 2HG MET 68 -13.713 3.633 -4.466 480 HE1 MET 68 3HE MET 68 -15.910 3.564 -1.675 481 HE2 MET 68 1HE MET 68 -16.864 5.046 -1.638 482 HE3 MET 68 2HE MET 68 -17.160 3.840 -2.889 483 H LYS 69 H LYS 69 -12.714 3.932 -6.068 484 HA LYS 69 HA LYS 69 -11.528 3.980 -8.764 485 HB3 LYS 69 2HB LYS 69 -10.242 6.034 -7.726 486 HG3 LYS 69 2HG LYS 69 -12.110 7.580 -8.434 487 HD3 LYS 69 2HD LYS 69 -11.036 5.401 -10.200 488 HE3 LYS 69 2HE LYS 69 -11.744 7.046 -12.065 489 HZ1 LYS 69 3HZ LYS 69 -12.662 4.792 -11.753 490 HZ2 LYS 69 1HZ LYS 69 -13.792 5.883 -12.386 491 HZ3 LYS 69 2HZ LYS 69 -13.867 5.437 -10.756 492 H GLY 70 H GLY 70 -9.562 3.084 -8.959 493 HA2 GLY 70 2HA GLY 70 -8.449 1.523 -6.921 494 HA3 GLY 70 3HA GLY 70 -7.623 1.994 -8.399 495 H LEU 71 H LEU 71 -6.112 3.600 -8.349 496 HA LEU 71 HA LEU 71 -5.062 4.296 -5.774 497 HB3 LEU 71 2HB LEU 71 -3.653 5.826 -7.515 498 HG LEU 71 HG LEU 71 -2.611 4.123 -6.076 499 HD11 LEU 71 1HD1 LEU 71 -3.769 2.258 -8.121 500 HD12 LEU 71 2HD1 LEU 71 -3.913 2.200 -6.365 501 HD13 LEU 71 3HD1 LEU 71 -2.375 1.815 -7.136 502 HD21 LEU 71 3HD2 LEU 71 -0.741 4.214 -7.300 503 HD22 LEU 71 1HD2 LEU 71 -1.719 5.089 -8.479 504 HD23 LEU 71 2HD2 LEU 71 -1.475 3.352 -8.653 505 H ASP 72 H ASP 72 -7.315 5.688 -7.905 506 HA ASP 72 HA ASP 72 -6.881 8.430 -7.190 507 HB3 ASP 72 2HB ASP 72 -9.478 8.285 -8.116 508 H THR 73 H THR 73 -8.073 5.850 -5.497 509 HA THR 73 HA THR 73 -10.336 6.867 -4.192 510 HB THR 73 HB THR 73 -8.467 4.653 -3.758 511 HG1 THR 73 1HG THR 73 -11.254 5.126 -3.498 512 HG21 THR 73 3HG2 THR 73 -8.095 5.642 -1.613 513 HG22 THR 73 1HG2 THR 73 -9.231 4.312 -1.390 514 HG23 THR 73 2HG2 THR 73 -9.814 5.977 -1.406 515 H GLU 74 H GLU 74 -10.597 8.401 -2.703 516 HA GLU 74 HA GLU 74 -8.333 9.896 -1.763 517 HB3 GLU 74 2HB GLU 74 -10.483 10.968 -2.365 518 HG3 GLU 74 2HG GLU 74 -11.551 9.887 0.227 519 H ILE 75 H ILE 75 -7.574 10.096 0.329 520 HA ILE 75 HA ILE 75 -8.714 8.354 2.384 521 HB ILE 75 HB ILE 75 -6.300 7.718 3.006 522 HG13 ILE 75 2HG1 ILE 75 -5.266 9.319 1.388 523 HG21 ILE 75 1HG2 ILE 75 -7.243 6.457 0.457 524 HG22 ILE 75 2HG2 ILE 75 -6.498 5.699 1.864 525 HG23 ILE 75 3HG2 ILE 75 -8.158 6.286 1.955 526 HD11 ILE 75 3HD1 ILE 75 -3.431 8.083 1.274 527 HD12 ILE 75 1HD1 ILE 75 -4.372 6.780 2.000 528 HD13 ILE 75 2HD1 ILE 75 -4.212 6.883 0.246 529 H LYS 76 H LYS 76 -9.081 9.596 4.086 530 HA LYS 76 HA LYS 76 -7.644 12.076 4.467 531 HB3 LYS 76 2HB LYS 76 -9.194 12.446 6.324 532 HG3 LYS 76 2HG LYS 76 -10.940 11.238 4.231 533 HD3 LYS 76 2HD LYS 76 -11.676 12.638 6.288 534 HE3 LYS 76 2HE LYS 76 -10.333 14.651 4.546 535 HZ1 LYS 76 3HZ LYS 76 -12.848 15.063 6.036 536 HZ2 LYS 76 1HZ LYS 76 -12.442 15.583 4.478 537 HZ3 LYS 76 2HZ LYS 76 -11.743 16.328 5.827 538 H ASP 77 H ASP 77 -7.059 12.584 6.865 539 HA ASP 77 HA ASP 77 -4.850 11.006 7.558 540 HB3 ASP 77 2HB ASP 77 -5.183 13.410 8.176 541 H ASP 78 H ASP 78 -8.194 10.736 8.384 542 HA ASP 78 HA ASP 78 -7.782 9.063 10.690 543 HB3 ASP 78 2HB ASP 78 -10.306 8.642 10.343 544 H ASP 79 H ASP 79 -8.378 8.607 7.268 545 HA ASP 79 HA ASP 79 -9.163 5.964 7.181 546 HB3 ASP 79 2HB ASP 79 -7.926 5.914 4.947 547 H LYS 80 H LYS 80 -8.006 4.000 6.807 548 HA LYS 80 HA LYS 80 -5.172 3.956 7.469 549 HB3 LYS 80 2HB LYS 80 -6.314 3.804 9.649 550 HG3 LYS 80 2HG LYS 80 -7.491 1.232 8.618 551 HD3 LYS 80 2HD LYS 80 -8.115 2.580 11.221 552 HE3 LYS 80 2HE LYS 80 -8.339 -0.219 10.135 553 HZ1 LYS 80 3HZ LYS 80 -9.459 0.239 12.731 554 HZ2 LYS 80 1HZ LYS 80 -7.772 0.372 12.729 555 HZ3 LYS 80 2HZ LYS 80 -8.508 -1.048 12.178 556 H ILE 81 H ILE 81 -4.092 2.306 6.509 557 HA ILE 81 HA ILE 81 -5.697 0.485 4.853 558 HB ILE 81 HB ILE 81 -2.785 1.248 4.592 559 HG13 ILE 81 2HG1 ILE 81 -5.304 2.307 3.446 560 HG21 ILE 81 1HG2 ILE 81 -4.415 -0.853 3.367 561 HG22 ILE 81 2HG2 ILE 81 -3.526 0.142 2.215 562 HG23 ILE 81 3HG2 ILE 81 -2.662 -0.705 3.499 563 HD11 ILE 81 3HD1 ILE 81 -2.595 3.388 4.084 564 HD12 ILE 81 1HD1 ILE 81 -3.693 4.268 3.022 565 HD13 ILE 81 2HD1 ILE 81 -4.173 3.901 4.679 566 H ASP 82 H ASP 82 -5.468 -1.702 4.968 567 HA ASP 82 HA ASP 82 -3.540 -2.764 6.920 568 HB3 ASP 82 2HB ASP 82 -5.250 -4.403 7.643 569 H LEU 83 H LEU 83 -2.557 -4.676 6.397 570 HA LEU 83 HA LEU 83 -3.242 -5.816 3.768 571 HB3 LEU 83 2HB LEU 83 -0.501 -5.852 5.000 572 HG LEU 83 HG LEU 83 0.269 -5.962 2.628 573 HD11 LEU 83 1HD1 LEU 83 0.269 -8.233 2.650 574 HD12 LEU 83 2HD1 LEU 83 -1.450 -8.343 3.028 575 HD13 LEU 83 3HD1 LEU 83 -0.291 -7.948 4.298 576 HD21 LEU 83 3HD2 LEU 83 -1.195 -6.399 0.862 577 HD22 LEU 83 1HD2 LEU 83 -1.988 -5.110 1.768 578 HD23 LEU 83 2HD2 LEU 83 -2.536 -6.777 1.945 579 H PHE 84 H PHE 84 -3.944 -7.836 3.851 580 HA PHE 84 HA PHE 84 -3.080 -9.535 6.098 581 HB3 PHE 84 2HB PHE 84 -5.257 -10.723 5.834 582 HD1 PHE 84 1HD PHE 84 -6.006 -7.147 5.315 583 HD2 PHE 84 2HD PHE 84 -5.441 -10.279 8.142 584 HE1 PHE 84 1HE PHE 84 -6.875 -5.691 7.098 585 HE2 PHE 84 2HE PHE 84 -6.310 -8.827 9.929 586 HZ PHE 84 HZ PHE 84 -7.029 -6.531 9.408 587 HA PRO 85 HA PRO 85 -1.356 -12.274 3.112 588 HB3 PRO 85 2HB PRO 85 -0.192 -13.202 4.862 589 HG3 PRO 85 2HG PRO 85 -1.137 -13.362 6.982 590 HD3 PRO 85 2HD PRO 85 -1.557 -11.142 6.525 591 HA PRO 86 HA PRO 86 -4.557 -14.538 1.120 592 HB3 PRO 86 2HB PRO 86 -3.063 -14.955 -0.575 593 HG3 PRO 86 2HG PRO 86 -0.822 -15.381 -0.121 594 HD3 PRO 86 2HD PRO 86 -1.121 -13.460 1.120 595 H VAL 87 H VAL 87 -5.909 -16.339 1.295 596 HA VAL 87 HA VAL 87 -6.044 -17.599 3.788 597 HB VAL 87 HB VAL 87 -7.683 -19.162 2.654 598 HG11 VAL 87 1HG1 VAL 87 -8.305 -16.289 2.056 599 HG12 VAL 87 2HG1 VAL 87 -9.382 -17.559 2.639 600 HG13 VAL 87 3HG1 VAL 87 -8.162 -16.874 3.714 601 HG21 VAL 87 3HG2 VAL 87 -6.495 -18.851 0.399 602 HG22 VAL 87 1HG2 VAL 87 -8.258 -18.893 0.407 603 HG23 VAL 87 2HG2 VAL 87 -7.413 -17.351 0.278 604 H ALA 88 H ALA 88 -4.370 -18.474 0.879 605 HA ALA 88 HA ALA 88 -3.891 -21.201 1.768 606 HB1 ALA 88 1HB ALA 88 -2.334 -20.306 -0.520 607 HB2 ALA 88 2HB ALA 88 -3.463 -21.654 -0.374 608 HB3 ALA 88 3HB ALA 88 -4.065 -20.032 -0.720 609 H GLY 89 H GLY 89 -1.833 -18.434 0.824 610 HA2 GLY 89 2HA GLY 89 -0.118 -17.682 2.402 611 HA3 GLY 89 3HA GLY 89 0.126 -19.369 2.827 612 H GLY 90 H GLY 90 1.074 -16.808 0.798 613 HA2 GLY 90 2HA GLY 90 2.462 -18.596 -1.065 614 HA3 GLY 90 3HA GLY 90 2.270 -16.860 -1.251 Start of MODEL 5 1 H1 MET 1 H MET 1 -3.338 12.445 7.554 2 HA MET 1 HA MET 1 -0.795 11.174 7.105 3 HB3 MET 1 2HB MET 1 -2.827 10.919 9.325 4 HG3 MET 1 2HG MET 1 -0.550 10.080 10.456 5 HE1 MET 1 3HE MET 1 -1.503 8.308 12.258 6 HE2 MET 1 1HE MET 1 -2.524 9.708 11.925 7 HE3 MET 1 2HE MET 1 -3.245 8.105 12.071 8 H VAL 2 H VAL 2 -0.409 8.939 6.934 9 HA VAL 2 HA VAL 2 -2.729 7.257 6.291 10 HB VAL 2 HB VAL 2 -1.502 6.274 4.379 11 HG11 VAL 2 1HG1 VAL 2 -3.118 7.788 3.696 12 HG12 VAL 2 2HG1 VAL 2 -2.262 9.168 4.385 13 HG13 VAL 2 3HG1 VAL 2 -1.663 8.403 2.913 14 HG21 VAL 2 3HG2 VAL 2 0.664 6.676 4.102 15 HG22 VAL 2 1HG2 VAL 2 0.303 8.373 3.790 16 HG23 VAL 2 2HG2 VAL 2 0.637 7.830 5.434 17 H THR 3 H THR 3 -2.642 5.291 7.180 18 HA THR 3 HA THR 3 -0.070 4.408 8.319 19 HB THR 3 HB THR 3 -2.754 3.518 9.352 20 HG1 THR 3 1HG THR 3 -2.928 5.314 10.488 21 HG21 THR 3 3HG2 THR 3 -0.976 2.151 10.124 22 HG22 THR 3 1HG2 THR 3 -1.357 3.250 11.449 23 HG23 THR 3 2HG2 THR 3 0.057 3.545 10.437 24 H VAL 4 H VAL 4 0.679 2.430 7.804 25 HA VAL 4 HA VAL 4 -1.088 0.659 6.243 26 HB VAL 4 HB VAL 4 1.893 0.914 5.844 27 HG11 VAL 4 1HG1 VAL 4 0.925 -1.241 5.212 28 HG12 VAL 4 2HG1 VAL 4 -0.249 -0.416 4.186 29 HG13 VAL 4 3HG1 VAL 4 1.470 -0.342 3.796 30 HG21 VAL 4 3HG2 VAL 4 -0.354 2.157 4.258 31 HG22 VAL 4 1HG2 VAL 4 0.859 3.009 5.213 32 HG23 VAL 4 2HG2 VAL 4 1.340 2.124 3.765 33 H ARG 5 H ARG 5 -0.913 -1.549 6.588 34 HA ARG 5 HA ARG 5 0.705 -2.337 8.922 35 HB3 ARG 5 2HB ARG 5 -1.841 -3.711 8.102 36 HG3 ARG 5 2HG ARG 5 -0.068 -3.760 10.467 37 HD3 ARG 5 2HD ARG 5 -2.975 -4.411 10.788 38 HE ARG 5 HE ARG 5 -0.717 -4.485 12.529 39 HH11 ARG 5 1HH1 ARG 5 -4.152 -3.934 12.411 40 HH12 ARG 5 2HH1 ARG 5 -4.413 -4.387 14.063 41 HH21 ARG 5 1HH2 ARG 5 -1.048 -5.086 14.705 42 HH22 ARG 5 2HH2 ARG 5 -2.646 -5.043 15.367 43 H TYR 6 H TYR 6 1.511 -4.511 8.945 44 HA TYR 6 HA TYR 6 1.475 -5.956 6.410 45 HB3 TYR 6 2HB TYR 6 3.829 -6.032 6.149 46 HD1 TYR 6 2HD TYR 6 2.692 -4.507 4.413 47 HD2 TYR 6 1HD TYR 6 4.435 -3.059 8.014 48 HE1 TYR 6 2HE TYR 6 2.835 -2.256 3.433 49 HE2 TYR 6 1HE TYR 6 4.582 -0.804 7.043 50 HH TYR 6 HH TYR 6 4.559 0.325 4.998 51 H TYR 7 H TYR 7 1.427 -8.103 6.689 52 HA TYR 7 HA TYR 7 1.508 -9.130 9.405 53 HB3 TYR 7 2HB TYR 7 0.913 -11.311 7.994 54 HD1 TYR 7 2HD TYR 7 -0.653 -7.955 8.428 55 HD2 TYR 7 1HD TYR 7 -1.104 -12.172 8.770 56 HE1 TYR 7 2HE TYR 7 -2.825 -7.628 9.534 57 HE2 TYR 7 1HE TYR 7 -3.278 -11.856 9.875 58 HH TYR 7 HH TYR 7 -4.465 -10.131 11.144 59 H ALA 8 H ALA 8 2.420 -11.535 9.447 60 HA ALA 8 HA ALA 8 5.180 -11.382 9.439 61 HB1 ALA 8 1HB ALA 8 4.579 -13.152 10.695 62 HB2 ALA 8 2HB ALA 8 3.203 -13.552 9.665 63 HB3 ALA 8 3HB ALA 8 4.830 -14.044 9.195 64 H THR 9 H THR 9 3.009 -12.174 6.838 65 HA THR 9 HA THR 9 4.790 -13.482 5.109 66 HB THR 9 HB THR 9 3.260 -12.613 3.274 67 HG1 THR 9 1HG THR 9 1.538 -11.390 3.850 68 HG21 THR 9 3HG2 THR 9 1.568 -14.162 3.782 69 HG22 THR 9 1HG2 THR 9 1.729 -13.900 5.518 70 HG23 THR 9 2HG2 THR 9 2.988 -14.765 4.635 71 H LEU 10 H LEU 10 4.285 -10.088 5.798 72 HA LEU 10 HA LEU 10 6.252 -9.368 3.736 73 HB3 LEU 10 2HB LEU 10 5.443 -7.008 4.279 74 HG LEU 10 HG LEU 10 4.484 -8.671 2.382 75 HD11 LEU 10 1HD1 LEU 10 2.698 -9.401 4.010 76 HD12 LEU 10 2HD1 LEU 10 2.129 -8.821 2.445 77 HD13 LEU 10 3HD1 LEU 10 2.024 -7.778 3.862 78 HD21 LEU 10 3HD2 LEU 10 3.950 -6.757 1.320 79 HD22 LEU 10 1HD2 LEU 10 4.719 -6.006 2.718 80 HD23 LEU 10 2HD2 LEU 10 2.963 -6.162 2.656 81 H ARG 11 H ARG 11 6.781 -10.533 6.443 82 HA ARG 11 HA ARG 11 7.796 -8.590 8.190 83 HB3 ARG 11 2HB ARG 11 8.142 -11.511 7.821 84 HG3 ARG 11 2HG ARG 11 10.096 -9.835 9.364 85 HD3 ARG 11 2HD ARG 11 8.878 -11.871 10.564 86 HE ARG 11 HE ARG 11 9.460 -13.837 9.574 87 HH11 ARG 11 1HH1 ARG 11 12.164 -11.654 9.363 88 HH12 ARG 11 2HH1 ARG 11 13.223 -12.825 8.653 89 HH21 ARG 11 1HH2 ARG 11 10.845 -15.390 8.639 90 HH22 ARG 11 2HH2 ARG 11 12.471 -14.950 8.240 91 HA PRO 12 HA PRO 12 12.113 -9.307 6.143 92 HB3 PRO 12 2HB PRO 12 12.316 -11.475 5.408 93 HG3 PRO 12 2HG PRO 12 10.483 -12.632 4.565 94 HD3 PRO 12 2HD PRO 12 9.581 -11.838 6.533 95 H ILE 13 H ILE 13 9.238 -8.445 4.563 96 HA ILE 13 HA ILE 13 10.585 -6.978 2.430 97 HB ILE 13 HB ILE 13 7.625 -6.975 2.974 98 HG13 ILE 13 2HG1 ILE 13 8.346 -9.311 2.837 99 HG21 ILE 13 1HG2 ILE 13 8.839 -6.864 0.266 100 HG22 ILE 13 2HG2 ILE 13 7.381 -6.090 0.886 101 HG23 ILE 13 3HG2 ILE 13 8.968 -5.436 1.292 102 HD11 ILE 13 3HD1 ILE 13 7.368 -9.189 0.115 103 HD12 ILE 13 1HD1 ILE 13 6.649 -9.925 1.548 104 HD13 ILE 13 2HD1 ILE 13 6.410 -8.208 1.222 105 H THR 14 H THR 14 8.523 -6.365 5.248 106 HA THR 14 HA THR 14 8.908 -3.489 4.958 107 HB THR 14 HB THR 14 6.662 -4.434 5.555 108 HG1 THR 14 1HG THR 14 7.916 -2.634 7.374 109 HG21 THR 14 3HG2 THR 14 8.012 -5.987 7.331 110 HG22 THR 14 1HG2 THR 14 6.284 -5.652 7.415 111 HG23 THR 14 2HG2 THR 14 7.413 -4.707 8.384 112 H LYS 15 H LYS 15 10.516 -6.028 6.369 113 HA LYS 15 HA LYS 15 12.234 -6.170 7.854 114 HB3 LYS 15 2HB LYS 15 13.575 -4.245 8.264 115 HG3 LYS 15 2HG LYS 15 12.349 -3.429 5.668 116 HD3 LYS 15 2HD LYS 15 14.787 -3.335 5.057 117 HE3 LYS 15 2HE LYS 15 15.234 -1.371 6.730 118 HZ1 LYS 15 3HZ LYS 15 13.901 -1.551 4.351 119 HZ2 LYS 15 1HZ LYS 15 14.434 -0.127 5.092 120 HZ3 LYS 15 2HZ LYS 15 12.849 -0.663 5.334 121 H LYS 16 H LYS 16 9.425 -5.972 8.738 122 HA LYS 16 HA LYS 16 8.198 -5.822 10.652 123 HB3 LYS 16 2HB LYS 16 10.666 -5.933 12.319 124 HG3 LYS 16 2HG LYS 16 7.968 -7.193 12.340 125 HD3 LYS 16 2HD LYS 16 8.824 -8.710 14.156 126 HE3 LYS 16 2HE LYS 16 10.158 -10.155 12.324 127 HZ1 LYS 16 3HZ LYS 16 8.266 -11.283 12.372 128 HZ2 LYS 16 1HZ LYS 16 7.437 -10.068 11.535 129 HZ3 LYS 16 2HZ LYS 16 7.554 -10.005 13.221 130 H LYS 17 H LYS 17 8.354 -3.405 9.699 131 HA LYS 17 HA LYS 17 8.504 -1.735 12.058 132 HB3 LYS 17 2HB LYS 17 10.069 -0.922 9.608 133 HG3 LYS 17 2HG LYS 17 10.369 0.140 12.396 134 HD3 LYS 17 2HD LYS 17 11.138 2.143 10.979 135 HE3 LYS 17 2HE LYS 17 12.995 -0.134 10.543 136 HZ1 LYS 17 3HZ LYS 17 14.356 1.598 10.515 137 HZ2 LYS 17 1HZ LYS 17 14.070 1.809 12.169 138 HZ3 LYS 17 2HZ LYS 17 13.144 2.657 11.037 139 H GLU 18 H GLU 18 6.654 -0.659 12.065 140 HA GLU 18 HA GLU 18 5.483 0.147 9.484 141 HB3 GLU 18 2HB GLU 18 4.173 -0.621 12.088 142 HG3 GLU 18 2HG GLU 18 2.052 -0.309 10.564 143 H GLU 19 H GLU 19 4.719 2.224 9.227 144 HA GLU 19 HA GLU 19 4.727 4.090 11.431 145 HB3 GLU 19 2HB GLU 19 6.273 5.636 9.984 146 HG3 GLU 19 2HG GLU 19 7.812 3.441 11.270 147 H THR 20 H THR 20 4.002 6.266 10.743 148 HA THR 20 HA THR 20 2.108 6.020 8.511 149 HB THR 20 HB THR 20 1.043 8.074 9.579 150 HG1 THR 20 1HG THR 20 2.339 8.894 11.064 151 HG21 THR 20 3HG2 THR 20 1.134 5.592 11.293 152 HG22 THR 20 1HG2 THR 20 0.187 5.745 9.814 153 HG23 THR 20 2HG2 THR 20 -0.172 6.773 11.202 154 H PHE 21 H PHE 21 1.799 7.790 7.065 155 HA PHE 21 HA PHE 21 4.045 9.685 6.940 156 HB3 PHE 21 2HB PHE 21 3.875 9.438 4.405 157 HD1 PHE 21 1HD PHE 21 3.933 6.018 5.723 158 HD2 PHE 21 2HD PHE 21 6.241 9.469 4.783 159 HE1 PHE 21 1HE PHE 21 5.996 4.694 5.940 160 HE2 PHE 21 2HE PHE 21 8.306 8.150 4.997 161 HZ PHE 21 HZ PHE 21 8.186 5.760 5.578 162 H ASN 22 H ASN 22 3.575 11.736 6.209 163 HA ASN 22 HA ASN 22 0.739 12.296 5.644 164 HB3 ASN 22 2HB ASN 22 1.399 13.016 7.931 165 HD21 ASN 22 1HD2 ASN 22 3.625 12.724 8.366 166 HD22 ASN 22 2HD2 ASN 22 4.730 14.047 8.248 167 H GLY 23 H GLY 23 0.300 13.613 3.951 168 HA2 GLY 23 2HA GLY 23 1.756 15.645 2.863 169 HA3 GLY 23 3HA GLY 23 2.444 14.204 2.129 170 H ILE 24 H ILE 24 0.729 12.661 1.212 171 HA ILE 24 HA ILE 24 -1.185 14.288 -0.317 172 HB ILE 24 HB ILE 24 0.542 13.098 -1.640 173 HG13 ILE 24 2HG1 ILE 24 -2.145 13.351 -2.149 174 HG21 ILE 24 1HG2 ILE 24 1.098 11.000 -1.189 175 HG22 ILE 24 2HG2 ILE 24 -0.120 10.961 0.085 176 HG23 ILE 24 3HG2 ILE 24 -0.543 10.467 -1.554 177 HD11 ILE 24 3HD1 ILE 24 -0.867 12.058 -4.385 178 HD12 ILE 24 1HD1 ILE 24 -1.444 13.716 -4.216 179 HD13 ILE 24 2HD1 ILE 24 0.174 13.285 -3.663 180 H SER 25 H SER 25 -3.305 13.578 -0.619 181 HA SER 25 HA SER 25 -4.199 11.554 1.325 182 HB3 SER 25 2HB SER 25 -6.463 12.802 0.984 183 HG SER 25 HG SER 25 -5.001 14.610 2.308 184 H LYS 26 H LYS 26 -3.330 10.421 -0.893 185 HA LYS 26 HA LYS 26 -5.754 9.384 -2.096 186 HB3 LYS 26 2HB LYS 26 -4.737 9.626 -4.417 187 HG3 LYS 26 2HG LYS 26 -5.345 12.293 -3.180 188 HD3 LYS 26 2HD LYS 26 -6.602 11.558 -5.696 189 HE3 LYS 26 2HE LYS 26 -4.687 13.787 -5.026 190 HZ1 LYS 26 3HZ LYS 26 -5.336 14.760 -6.936 191 HZ2 LYS 26 1HZ LYS 26 -6.906 14.134 -6.872 192 HZ3 LYS 26 2HZ LYS 26 -5.632 13.167 -7.421 193 H ILE 27 H ILE 27 -5.447 7.363 -3.163 194 HA ILE 27 HA ILE 27 -3.376 5.781 -1.988 195 HB ILE 27 HB ILE 27 -5.517 5.139 -4.007 196 HG13 ILE 27 2HG1 ILE 27 -6.573 3.966 -2.206 197 HG21 ILE 27 1HG2 ILE 27 -3.395 3.341 -2.854 198 HG22 ILE 27 2HG2 ILE 27 -4.868 2.749 -3.624 199 HG23 ILE 27 3HG2 ILE 27 -3.705 3.694 -4.554 200 HD11 ILE 27 3HD1 ILE 27 -3.939 3.949 -1.027 201 HD12 ILE 27 1HD1 ILE 27 -5.161 4.531 0.104 202 HD13 ILE 27 2HD1 ILE 27 -5.348 2.954 -0.664 203 H SER 28 H SER 28 -3.821 7.399 -5.022 204 HA SER 28 HA SER 28 -2.138 5.973 -6.699 205 HB3 SER 28 2HB SER 28 -3.081 8.784 -6.558 206 HG SER 28 HG SER 28 -1.355 9.560 -7.447 207 H GLU 29 H GLU 29 -1.279 8.767 -4.654 208 HA GLU 29 HA GLU 29 1.522 8.467 -5.162 209 HB3 GLU 29 2HB GLU 29 1.351 10.034 -2.913 210 HG3 GLU 29 2HG GLU 29 1.500 11.953 -4.336 211 H LEU 30 H LEU 30 -0.651 7.645 -2.500 212 HA LEU 30 HA LEU 30 1.203 6.857 -0.596 213 HB3 LEU 30 2HB LEU 30 -1.536 5.762 -1.208 214 HG LEU 30 HG LEU 30 0.149 4.434 0.458 215 HD11 LEU 30 1HD1 LEU 30 0.510 5.911 2.163 216 HD12 LEU 30 2HD1 LEU 30 -0.954 5.121 2.750 217 HD13 LEU 30 3HD1 LEU 30 -1.057 6.697 1.965 218 HD21 LEU 30 3HD2 LEU 30 -2.837 4.801 0.623 219 HD22 LEU 30 1HD2 LEU 30 -1.951 3.563 1.514 220 HD23 LEU 30 2HD2 LEU 30 -1.948 3.553 -0.250 221 H LEU 31 H LEU 31 -0.360 4.849 -3.090 222 HA LEU 31 HA LEU 31 1.039 2.481 -2.466 223 HB3 LEU 31 2HB LEU 31 0.453 2.056 -5.021 224 HG LEU 31 HG LEU 31 -1.714 2.269 -2.931 225 HD11 LEU 31 1HD1 LEU 31 -2.496 2.210 -5.311 226 HD12 LEU 31 2HD1 LEU 31 -3.033 0.857 -4.316 227 HD13 LEU 31 3HD1 LEU 31 -1.709 0.639 -5.461 228 HD21 LEU 31 3HD2 LEU 31 -0.635 0.568 -1.982 229 HD22 LEU 31 1HD2 LEU 31 0.475 0.415 -3.345 230 HD23 LEU 31 2HD2 LEU 31 -1.094 -0.390 -3.391 231 H GLU 32 H GLU 32 1.579 4.899 -5.026 232 HA GLU 32 HA GLU 32 3.822 3.766 -6.194 233 HB3 GLU 32 2HB GLU 32 3.124 6.684 -5.839 234 HG3 GLU 32 2HG GLU 32 5.077 5.419 -7.748 235 H ARG 33 H ARG 33 3.560 5.775 -3.317 236 HA ARG 33 HA ARG 33 6.400 6.030 -2.970 237 HB3 ARG 33 2HB ARG 33 5.694 6.882 -0.671 238 HG3 ARG 33 2HG ARG 33 4.326 8.857 -1.739 239 HD3 ARG 33 2HD ARG 33 7.204 8.227 -2.381 240 HE ARG 33 HE ARG 33 7.089 10.180 -3.552 241 HH11 ARG 33 1HH1 ARG 33 5.030 10.437 -0.755 242 HH12 ARG 33 2HH1 ARG 33 4.655 12.107 -1.024 243 HH21 ARG 33 1HH2 ARG 33 6.602 12.378 -3.916 244 HH22 ARG 33 2HH2 ARG 33 5.549 13.210 -2.822 245 H LEU 34 H LEU 34 3.899 3.854 -1.869 246 HA LEU 34 HA LEU 34 5.413 2.642 0.216 247 HB3 LEU 34 2HB LEU 34 3.283 1.126 -1.194 248 HG LEU 34 HG LEU 34 3.535 1.753 1.745 249 HD11 LEU 34 1HD1 LEU 34 2.158 -0.606 1.401 250 HD12 LEU 34 2HD1 LEU 34 1.561 0.409 0.090 251 HD13 LEU 34 3HD1 LEU 34 1.450 0.969 1.758 252 HD21 LEU 34 3HD2 LEU 34 4.160 -0.824 1.635 253 HD22 LEU 34 1HD2 LEU 34 5.382 0.443 1.519 254 HD23 LEU 34 2HD2 LEU 34 4.785 -0.343 0.057 255 H LYS 35 H LYS 35 4.636 1.649 -3.112 256 HA LYS 35 HA LYS 35 6.025 -0.761 -3.141 257 HB3 LYS 35 2HB LYS 35 4.506 -0.145 -4.928 258 HG3 LYS 35 2HG LYS 35 6.559 1.856 -5.844 259 HD3 LYS 35 2HD LYS 35 5.240 0.742 -7.621 260 HE3 LYS 35 2HE LYS 35 2.917 1.914 -6.100 261 HZ1 LYS 35 3HZ LYS 35 2.632 0.450 -8.632 262 HZ2 LYS 35 1HZ LYS 35 2.959 2.110 -8.668 263 HZ3 LYS 35 2HZ LYS 35 1.566 1.538 -7.898 264 H VAL 36 H VAL 36 7.162 2.515 -3.854 265 HA VAL 36 HA VAL 36 9.817 1.671 -4.524 266 HB VAL 36 HB VAL 36 8.877 3.743 -5.442 267 HG11 VAL 36 1HG1 VAL 36 7.615 4.339 -3.352 268 HG12 VAL 36 2HG1 VAL 36 9.142 4.917 -2.682 269 HG13 VAL 36 3HG1 VAL 36 8.466 5.677 -4.123 270 HG21 VAL 36 3HG2 VAL 36 11.415 3.317 -4.775 271 HG22 VAL 36 1HG2 VAL 36 10.877 4.829 -5.506 272 HG23 VAL 36 2HG2 VAL 36 11.116 4.728 -3.762 273 H GLU 37 H GLU 37 8.200 2.859 -1.639 274 HA GLU 37 HA GLU 37 10.336 3.519 -0.030 275 HB3 GLU 37 2HB GLU 37 7.728 2.173 0.672 276 HG3 GLU 37 2HG GLU 37 9.743 3.410 2.534 277 H TYR 38 H TYR 38 8.868 0.301 -0.430 278 HA TYR 38 HA TYR 38 11.077 -0.902 1.046 279 HB3 TYR 38 2HB TYR 38 9.756 -3.005 0.802 280 HD1 TYR 38 2HD TYR 38 10.433 -1.322 3.034 281 HD2 TYR 38 1HD TYR 38 6.639 -1.923 1.205 282 HE1 TYR 38 2HE TYR 38 9.326 -0.723 5.147 283 HE2 TYR 38 1HE TYR 38 5.522 -1.324 3.312 284 HH TYR 38 HH TYR 38 6.942 0.259 5.761 285 H GLY 39 H GLY 39 9.689 -0.837 -2.195 286 HA2 GLY 39 2HA GLY 39 11.527 -0.928 -3.937 287 HA3 GLY 39 3HA GLY 39 11.990 -2.427 -3.145 288 H SER 40 H SER 40 11.567 -2.679 -5.723 289 HA SER 40 HA SER 40 8.984 -3.019 -6.684 290 HB3 SER 40 2HB SER 40 11.184 -3.121 -7.980 291 HG SER 40 HG SER 40 12.260 -4.989 -8.034 292 H GLU 41 H GLU 41 10.934 -5.110 -4.671 293 HA GLU 41 HA GLU 41 9.647 -7.534 -4.940 294 HB3 GLU 41 2HB GLU 41 10.421 -6.586 -2.210 295 HG3 GLU 41 2HG GLU 41 10.876 -9.128 -3.750 296 H PHE 42 H PHE 42 8.814 -4.887 -2.711 297 HA PHE 42 HA PHE 42 6.558 -6.134 -1.585 298 HB3 PHE 42 2HB PHE 42 7.273 -3.211 -1.863 299 HD1 PHE 42 2HD PHE 42 5.008 -2.433 -2.371 300 HD2 PHE 42 1HD PHE 42 5.848 -4.735 1.108 301 HE1 PHE 42 2HE PHE 42 2.849 -1.756 -1.407 302 HE2 PHE 42 1HE PHE 42 3.690 -4.062 2.078 303 HZ PHE 42 HZ PHE 42 2.187 -2.572 0.821 304 H THR 43 H THR 43 6.975 -4.147 -4.449 305 HA THR 43 HA THR 43 4.225 -3.716 -4.977 306 HB THR 43 HB THR 43 5.943 -3.842 -7.349 307 HG1 THR 43 1HG THR 43 7.215 -2.032 -6.651 308 HG21 THR 43 3HG2 THR 43 4.095 -2.569 -7.746 309 HG22 THR 43 1HG2 THR 43 5.169 -1.295 -7.171 310 HG23 THR 43 2HG2 THR 43 3.985 -2.010 -6.077 311 H LYS 44 H LYS 44 6.550 -6.119 -6.172 312 HA LYS 44 HA LYS 44 4.629 -7.456 -7.817 313 HB3 LYS 44 2HB LYS 44 6.440 -9.262 -7.858 314 HG3 LYS 44 2HG LYS 44 7.273 -6.473 -8.639 315 HD3 LYS 44 2HD LYS 44 8.583 -7.702 -10.382 316 HE3 LYS 44 2HE LYS 44 9.530 -8.601 -7.690 317 HZ1 LYS 44 3HZ LYS 44 10.727 -8.491 -10.096 318 HZ2 LYS 44 1HZ LYS 44 11.545 -8.470 -8.615 319 HZ3 LYS 44 2HZ LYS 44 11.213 -7.018 -9.417 320 H GLN 45 H GLN 45 5.621 -7.675 -4.503 321 HA GLN 45 HA GLN 45 4.526 -10.300 -4.067 322 HB3 GLN 45 2HB GLN 45 5.196 -8.255 -1.955 323 HG3 GLN 45 2HG GLN 45 4.134 -10.681 -1.580 324 HE21 GLN 45 1HE2 GLN 45 5.115 -12.086 -3.236 325 HE22 GLN 45 2HE2 GLN 45 6.486 -13.038 -2.789 326 H MET 46 H MET 46 3.459 -6.980 -3.672 327 HA MET 46 HA MET 46 0.906 -7.920 -2.570 328 HB3 MET 46 2HB MET 46 0.499 -5.580 -1.970 329 HG3 MET 46 2HG MET 46 2.266 -5.200 -0.353 330 HE1 MET 46 3HE MET 46 3.166 -9.004 0.751 331 HE2 MET 46 1HE MET 46 2.124 -9.627 -0.529 332 HE3 MET 46 2HE MET 46 3.396 -8.467 -0.913 333 H TYR 47 H TYR 47 2.154 -7.531 -5.498 334 HA TYR 47 HA TYR 47 -0.345 -7.318 -6.802 335 HB3 TYR 47 2HB TYR 47 1.287 -5.015 -7.672 336 HD1 TYR 47 2HD TYR 47 -2.042 -5.960 -6.246 337 HD2 TYR 47 1HD TYR 47 0.096 -3.898 -9.292 338 HE1 TYR 47 2HE TYR 47 -4.171 -5.336 -7.309 339 HE2 TYR 47 1HE TYR 47 -2.026 -3.268 -10.364 340 HH TYR 47 HH TYR 47 -5.063 -3.702 -8.820 341 H ASP 48 H ASP 48 0.183 -9.024 -8.054 342 HA ASP 48 HA ASP 48 2.712 -9.004 -9.521 343 HB3 ASP 48 2HB ASP 48 0.604 -11.137 -9.150 344 H GLY 49 H GLY 49 2.303 -7.416 -11.074 345 HA2 GLY 49 2HA GLY 49 1.840 -7.012 -13.335 346 HA3 GLY 49 3HA GLY 49 0.710 -8.358 -13.321 347 H ASN 50 H ASN 50 -1.426 -8.021 -12.698 348 HA ASN 50 HA ASN 50 -2.202 -5.199 -12.352 349 HB3 ASN 50 2HB ASN 50 -4.337 -5.896 -13.595 350 HD21 ASN 50 1HD2 ASN 50 -2.586 -7.162 -16.021 351 HD22 ASN 50 2HD2 ASN 50 -2.003 -5.715 -16.765 352 H ASN 51 H ASN 51 -2.120 -8.175 -10.947 353 HA ASN 51 HA ASN 51 -4.074 -7.404 -8.956 354 HB3 ASN 51 2HB ASN 51 -5.500 -8.596 -10.522 355 HD21 ASN 51 1HD2 ASN 51 -5.635 -9.905 -12.190 356 HD22 ASN 51 2HD2 ASN 51 -4.610 -11.259 -12.507 357 H LEU 52 H LEU 52 -4.051 -8.908 -7.079 358 HA LEU 52 HA LEU 52 -1.533 -9.295 -6.059 359 HB3 LEU 52 2HB LEU 52 -2.546 -10.720 -4.375 360 HG LEU 52 HG LEU 52 -3.889 -9.218 -3.358 361 HD11 LEU 52 1HD1 LEU 52 -3.286 -7.416 -5.676 362 HD12 LEU 52 2HD1 LEU 52 -2.014 -7.991 -4.600 363 HD13 LEU 52 3HD1 LEU 52 -3.346 -7.030 -3.957 364 HD21 LEU 52 3HD2 LEU 52 -5.523 -9.683 -5.620 365 HD22 LEU 52 1HD2 LEU 52 -5.409 -7.937 -5.397 366 HD23 LEU 52 2HD2 LEU 52 -5.972 -8.960 -4.074 367 H PHE 53 H PHE 53 -0.289 -11.206 -5.607 368 HA PHE 53 HA PHE 53 -0.075 -12.923 -7.900 369 HB3 PHE 53 2HB PHE 53 1.439 -12.997 -5.282 370 HD1 PHE 53 2HD PHE 53 1.400 -15.493 -5.387 371 HD2 PHE 53 1HD PHE 53 3.093 -13.100 -8.473 372 HE1 PHE 53 2HE PHE 53 2.632 -17.450 -6.225 373 HE2 PHE 53 1HE PHE 53 4.327 -15.054 -9.316 374 HZ PHE 53 HZ PHE 53 4.097 -17.233 -8.192 375 H LYS 54 H LYS 54 -0.312 -13.695 -4.424 376 HA LYS 54 HA LYS 54 -1.421 -16.299 -5.068 377 HB3 LYS 54 2HB LYS 54 -0.789 -15.040 -2.393 378 HG3 LYS 54 2HG LYS 54 -1.520 -17.857 -3.136 379 HD3 LYS 54 2HD LYS 54 -1.074 -17.980 -0.487 380 HE3 LYS 54 2HE LYS 54 0.984 -18.416 -2.652 381 HZ1 LYS 54 3HZ LYS 54 0.967 -20.127 -0.325 382 HZ2 LYS 54 1HZ LYS 54 1.454 -18.536 -0.013 383 HZ3 LYS 54 2HZ LYS 54 2.272 -19.460 -1.170 384 H ASN 55 H ASN 55 -2.381 -13.547 -3.008 385 HA ASN 55 HA ASN 55 -4.920 -13.150 -3.847 386 HB3 ASN 55 2HB ASN 55 -5.899 -14.661 -1.725 387 HD21 ASN 55 1HD2 ASN 55 -6.303 -17.115 -3.232 388 HD22 ASN 55 2HD2 ASN 55 -7.352 -16.708 -4.542 389 H VAL 56 H VAL 56 -3.055 -11.581 -2.709 390 HA VAL 56 HA VAL 56 -3.338 -11.166 0.075 391 HB VAL 56 HB VAL 56 -2.578 -9.029 -1.907 392 HG11 VAL 56 1HG1 VAL 56 -2.851 -8.273 0.374 393 HG12 VAL 56 2HG1 VAL 56 -1.793 -9.559 0.957 394 HG13 VAL 56 3HG1 VAL 56 -1.140 -8.268 -0.053 395 HG21 VAL 56 3HG2 VAL 56 -1.128 -10.656 -2.626 396 HG22 VAL 56 1HG2 VAL 56 -0.195 -9.959 -1.301 397 HG23 VAL 56 2HG2 VAL 56 -1.084 -11.464 -1.059 398 H ILE 57 H ILE 57 -4.647 -9.831 1.244 399 HA ILE 57 HA ILE 57 -6.785 -8.443 -0.236 400 HB ILE 57 HB ILE 57 -7.035 -9.806 2.449 401 HG13 ILE 57 2HG1 ILE 57 -7.095 -10.927 -0.110 402 HG21 ILE 57 1HG2 ILE 57 -9.562 -9.327 1.647 403 HG22 ILE 57 2HG2 ILE 57 -8.641 -8.243 2.687 404 HG23 ILE 57 3HG2 ILE 57 -8.742 -7.928 0.956 405 HD11 ILE 57 3HD1 ILE 57 -8.158 -11.885 2.521 406 HD12 ILE 57 1HD1 ILE 57 -8.229 -12.873 1.063 407 HD13 ILE 57 2HD1 ILE 57 -6.669 -12.347 1.697 408 H ILE 58 H ILE 58 -6.351 -6.335 -0.107 409 HA ILE 58 HA ILE 58 -5.652 -5.229 2.535 410 HB ILE 58 HB ILE 58 -3.706 -4.777 1.407 411 HG13 ILE 58 2HG1 ILE 58 -4.900 -2.655 2.115 412 HG21 ILE 58 1HG2 ILE 58 -4.279 -5.784 -0.697 413 HG22 ILE 58 2HG2 ILE 58 -5.342 -4.437 -1.100 414 HG23 ILE 58 3HG2 ILE 58 -3.599 -4.187 -1.005 415 HD11 ILE 58 3HD1 ILE 58 -2.853 -2.593 -0.069 416 HD12 ILE 58 1HD1 ILE 58 -3.470 -1.119 0.677 417 HD13 ILE 58 2HD1 ILE 58 -2.637 -2.323 1.661 418 H LEU 59 H LEU 59 -6.835 -3.548 3.264 419 HA LEU 59 HA LEU 59 -8.793 -2.349 1.419 420 HB3 LEU 59 2HB LEU 59 -10.231 -2.142 3.551 421 HG LEU 59 HG LEU 59 -9.850 -4.869 2.320 422 HD11 LEU 59 1HD1 LEU 59 -11.782 -5.600 3.366 423 HD12 LEU 59 2HD1 LEU 59 -12.307 -3.965 3.765 424 HD13 LEU 59 3HD1 LEU 59 -10.966 -4.698 4.645 425 HD21 LEU 59 3HD2 LEU 59 -12.287 -3.579 1.628 426 HD22 LEU 59 1HD2 LEU 59 -10.952 -4.055 0.577 427 HD23 LEU 59 2HD2 LEU 59 -10.958 -2.458 1.326 428 H VAL 60 H VAL 60 -9.606 -0.222 2.144 429 HA VAL 60 HA VAL 60 -7.668 1.231 3.814 430 HB VAL 60 HB VAL 60 -7.233 1.618 1.377 431 HG11 VAL 60 1HG1 VAL 60 -9.558 1.498 0.611 432 HG12 VAL 60 2HG1 VAL 60 -9.914 3.000 1.467 433 HG13 VAL 60 3HG1 VAL 60 -8.785 3.002 0.111 434 HG21 VAL 60 3HG2 VAL 60 -8.139 4.240 2.394 435 HG22 VAL 60 1HG2 VAL 60 -7.049 3.326 3.435 436 HG23 VAL 60 2HG2 VAL 60 -6.559 3.741 1.792 437 H ASN 61 H ASN 61 -8.530 2.634 5.239 438 HA ASN 61 HA ASN 61 -10.104 3.632 6.546 439 HB3 ASN 61 2HB ASN 61 -11.679 4.148 4.033 440 HD21 ASN 61 1HD2 ASN 61 -12.706 6.202 4.081 441 HD22 ASN 61 2HD2 ASN 61 -13.100 6.951 5.586 442 H GLY 62 H GLY 62 -10.420 0.765 5.873 443 HA2 GLY 62 2HA GLY 62 -11.896 -0.885 6.506 444 HA3 GLY 62 3HA GLY 62 -12.967 0.377 7.098 445 H ASN 63 H ASN 63 -11.751 -0.052 3.805 446 HA ASN 63 HA ASN 63 -14.048 -1.306 2.761 447 HB3 ASN 63 2HB ASN 63 -13.939 1.683 2.304 448 HD21 ASN 63 1HD2 ASN 63 -16.659 -0.502 2.407 449 HD22 ASN 63 2HD2 ASN 63 -17.114 -0.323 0.750 450 H ASN 64 H ASN 64 -13.889 -1.705 0.529 451 HA ASN 64 HA ASN 64 -11.211 -1.581 -0.493 452 HB3 ASN 64 2HB ASN 64 -12.402 -3.571 -0.990 453 HD21 ASN 64 1HD2 ASN 64 -14.078 -2.497 -3.635 454 HD22 ASN 64 2HD2 ASN 64 -15.687 -2.635 -3.018 455 H ILE 65 H ILE 65 -10.440 -0.435 -2.240 456 HA ILE 65 HA ILE 65 -11.719 2.075 -2.764 457 HB ILE 65 HB ILE 65 -9.808 2.530 -4.234 458 HG13 ILE 65 2HG1 ILE 65 -9.497 0.301 -5.178 459 HG21 ILE 65 1HG2 ILE 65 -8.660 1.249 -1.790 460 HG22 ILE 65 2HG2 ILE 65 -8.256 2.792 -2.541 461 HG23 ILE 65 3HG2 ILE 65 -9.762 2.617 -1.641 462 HD11 ILE 65 3HD1 ILE 65 -6.922 0.169 -4.034 463 HD12 ILE 65 1HD1 ILE 65 -7.394 0.810 -5.607 464 HD13 ILE 65 2HD1 ILE 65 -7.345 1.873 -4.199 465 H THR 66 H THR 66 -11.573 -1.009 -4.335 466 HA THR 66 HA THR 66 -12.191 -0.241 -6.967 467 HB THR 66 HB THR 66 -13.103 -2.574 -7.201 468 HG1 THR 66 1HG THR 66 -13.376 -3.780 -5.463 469 HG21 THR 66 3HG2 THR 66 -10.374 -1.936 -6.188 470 HG22 THR 66 1HG2 THR 66 -10.879 -2.511 -7.775 471 HG23 THR 66 2HG2 THR 66 -10.818 -3.628 -6.412 472 H SER 67 H SER 67 -14.145 -0.519 -4.112 473 HA SER 67 HA SER 67 -16.680 -0.899 -5.102 474 HB3 SER 67 2HB SER 67 -15.588 0.622 -2.773 475 HG SER 67 HG SER 67 -18.357 0.482 -3.023 476 H MET 68 H MET 68 -14.882 2.155 -4.888 477 HA MET 68 HA MET 68 -16.839 3.332 -6.750 478 HB3 MET 68 2HB MET 68 -17.189 4.806 -5.084 479 HG3 MET 68 2HG MET 68 -14.493 4.160 -3.915 480 HE1 MET 68 3HE MET 68 -16.466 3.932 -1.282 481 HE2 MET 68 1HE MET 68 -16.638 5.489 -0.473 482 HE3 MET 68 2HE MET 68 -17.816 4.994 -1.687 483 H LYS 69 H LYS 69 -13.651 4.403 -5.607 484 HA LYS 69 HA LYS 69 -12.737 4.383 -8.409 485 HB3 LYS 69 2HB LYS 69 -11.153 6.266 -7.405 486 HG3 LYS 69 2HG LYS 69 -13.043 6.414 -9.201 487 HD3 LYS 69 2HD LYS 69 -14.315 7.499 -6.720 488 HE3 LYS 69 2HE LYS 69 -15.003 8.355 -9.529 489 HZ1 LYS 69 3HZ LYS 69 -16.556 8.276 -7.259 490 HZ2 LYS 69 1HZ LYS 69 -16.887 9.125 -8.684 491 HZ3 LYS 69 2HZ LYS 69 -16.090 9.895 -7.406 492 H GLY 70 H GLY 70 -11.080 3.075 -8.794 493 HA2 GLY 70 2HA GLY 70 -9.828 1.505 -6.861 494 HA3 GLY 70 3HA GLY 70 -9.211 1.780 -8.483 495 H LEU 71 H LEU 71 -7.571 3.244 -8.815 496 HA LEU 71 HA LEU 71 -5.963 3.858 -6.523 497 HB3 LEU 71 2HB LEU 71 -5.458 4.961 -9.258 498 HG LEU 71 HG LEU 71 -3.856 5.076 -7.097 499 HD11 LEU 71 1HD1 LEU 71 -2.923 2.627 -8.580 500 HD12 LEU 71 2HD1 LEU 71 -3.738 2.587 -7.017 501 HD13 LEU 71 3HD1 LEU 71 -2.172 3.384 -7.175 502 HD21 LEU 71 3HD2 LEU 71 -3.520 6.200 -9.248 503 HD22 LEU 71 1HD2 LEU 71 -2.936 4.687 -9.943 504 HD23 LEU 71 2HD2 LEU 71 -2.027 5.473 -8.653 505 H ASP 72 H ASP 72 -8.470 5.444 -8.153 506 HA ASP 72 HA ASP 72 -7.591 8.134 -7.574 507 HB3 ASP 72 2HB ASP 72 -10.206 8.435 -8.179 508 H THR 73 H THR 73 -8.540 5.764 -5.615 509 HA THR 73 HA THR 73 -10.623 6.817 -4.063 510 HB THR 73 HB THR 73 -8.607 4.702 -3.736 511 HG1 THR 73 1HG THR 73 -11.311 4.932 -2.860 512 HG21 THR 73 3HG2 THR 73 -8.054 5.857 -1.715 513 HG22 THR 73 1HG2 THR 73 -9.086 4.495 -1.281 514 HG23 THR 73 2HG2 THR 73 -9.754 6.126 -1.337 515 H GLU 74 H GLU 74 -10.689 8.148 -2.299 516 HA GLU 74 HA GLU 74 -8.293 9.769 -1.840 517 HB3 GLU 74 2HB GLU 74 -11.226 10.226 -1.375 518 HG3 GLU 74 2HG GLU 74 -9.016 11.413 0.124 519 H ILE 75 H ILE 75 -7.262 9.854 0.077 520 HA ILE 75 HA ILE 75 -8.450 8.398 2.344 521 HB ILE 75 HB ILE 75 -6.042 7.784 2.950 522 HG13 ILE 75 2HG1 ILE 75 -4.942 9.282 1.340 523 HG21 ILE 75 1HG2 ILE 75 -7.252 6.506 0.502 524 HG22 ILE 75 2HG2 ILE 75 -6.121 5.757 1.628 525 HG23 ILE 75 3HG2 ILE 75 -7.744 6.188 2.165 526 HD11 ILE 75 3HD1 ILE 75 -3.999 6.949 0.005 527 HD12 ILE 75 1HD1 ILE 75 -3.208 7.919 1.249 528 HD13 ILE 75 2HD1 ILE 75 -4.261 6.580 1.709 529 H LYS 76 H LYS 76 -8.445 9.456 4.228 530 HA LYS 76 HA LYS 76 -6.903 11.959 4.390 531 HB3 LYS 76 2HB LYS 76 -9.156 12.570 4.529 532 HG3 LYS 76 2HG LYS 76 -9.658 10.325 6.473 533 HD3 LYS 76 2HD LYS 76 -12.050 10.945 5.993 534 HE3 LYS 76 2HE LYS 76 -10.429 11.830 7.934 535 HZ1 LYS 76 3HZ LYS 76 -9.778 13.905 7.548 536 HZ2 LYS 76 1HZ LYS 76 -11.388 14.381 7.755 537 HZ3 LYS 76 2HZ LYS 76 -10.790 14.072 6.203 538 H ASP 77 H ASP 77 -6.564 12.600 6.809 539 HA ASP 77 HA ASP 77 -4.687 10.914 7.925 540 HB3 ASP 77 2HB ASP 77 -5.096 13.356 8.469 541 H ASP 78 H ASP 78 -8.149 10.894 8.287 542 HA ASP 78 HA ASP 78 -8.192 9.167 10.573 543 HB3 ASP 78 2HB ASP 78 -10.482 9.491 8.654 544 H ASP 79 H ASP 79 -8.484 8.739 7.082 545 HA ASP 79 HA ASP 79 -9.254 6.068 7.009 546 HB3 ASP 79 2HB ASP 79 -8.010 6.051 4.773 547 H LYS 80 H LYS 80 -8.030 4.141 6.618 548 HA LYS 80 HA LYS 80 -5.197 4.188 7.281 549 HB3 LYS 80 2HB LYS 80 -6.400 3.995 9.454 550 HG3 LYS 80 2HG LYS 80 -7.185 1.218 8.661 551 HD3 LYS 80 2HD LYS 80 -8.232 3.085 10.787 552 HE3 LYS 80 2HE LYS 80 -8.920 0.779 11.734 553 HZ1 LYS 80 3HZ LYS 80 -10.928 1.478 11.165 554 HZ2 LYS 80 1HZ LYS 80 -10.677 1.061 9.544 555 HZ3 LYS 80 2HZ LYS 80 -10.235 2.595 10.100 556 H ILE 81 H ILE 81 -4.064 2.571 6.323 557 HA ILE 81 HA ILE 81 -5.610 0.705 4.661 558 HB ILE 81 HB ILE 81 -2.684 1.389 4.388 559 HG13 ILE 81 2HG1 ILE 81 -5.117 2.808 3.486 560 HG21 ILE 81 1HG2 ILE 81 -4.581 -0.351 2.953 561 HG22 ILE 81 2HG2 ILE 81 -3.511 0.622 1.944 562 HG23 ILE 81 3HG2 ILE 81 -2.832 -0.484 3.138 563 HD11 ILE 81 3HD1 ILE 81 -2.342 3.487 4.244 564 HD12 ILE 81 1HD1 ILE 81 -3.158 4.550 3.097 565 HD13 ILE 81 2HD1 ILE 81 -3.865 4.258 4.687 566 H ASP 82 H ASP 82 -5.304 -1.476 4.761 567 HA ASP 82 HA ASP 82 -3.312 -2.496 6.666 568 HB3 ASP 82 2HB ASP 82 -6.010 -3.787 6.521 569 H LEU 83 H LEU 83 -2.369 -4.429 6.131 570 HA LEU 83 HA LEU 83 -3.106 -5.525 3.499 571 HB3 LEU 83 2HB LEU 83 -0.426 -5.763 4.844 572 HG LEU 83 HG LEU 83 0.425 -5.957 2.495 573 HD11 LEU 83 1HD1 LEU 83 0.100 -8.280 2.396 574 HD12 LEU 83 2HD1 LEU 83 -1.475 -8.180 3.183 575 HD13 LEU 83 3HD1 LEU 83 -0.005 -7.872 4.108 576 HD21 LEU 83 3HD2 LEU 83 -1.725 -5.020 1.513 577 HD22 LEU 83 1HD2 LEU 83 -2.415 -6.623 1.772 578 HD23 LEU 83 2HD2 LEU 83 -1.026 -6.423 0.703 579 H PHE 84 H PHE 84 -4.011 -7.463 3.540 580 HA PHE 84 HA PHE 84 -3.403 -9.254 5.799 581 HB3 PHE 84 2HB PHE 84 -5.598 -10.199 5.575 582 HD1 PHE 84 2HD PHE 84 -4.719 -8.353 7.487 583 HD2 PHE 84 1HD PHE 84 -7.477 -7.708 4.311 584 HE1 PHE 84 2HE PHE 84 -5.741 -6.510 8.754 585 HE2 PHE 84 1HE PHE 84 -8.504 -5.861 5.573 586 HZ PHE 84 HZ PHE 84 -7.637 -5.261 7.798 587 HA PRO 85 HA PRO 85 -1.559 -12.013 2.894 588 HB3 PRO 85 2HB PRO 85 -0.466 -12.926 4.696 589 HG3 PRO 85 2HG PRO 85 -1.483 -13.037 6.784 590 HD3 PRO 85 2HD PRO 85 -1.858 -10.820 6.279 591 HA PRO 86 HA PRO 86 -4.724 -14.267 0.832 592 HB3 PRO 86 2HB PRO 86 -3.183 -14.722 -0.810 593 HG3 PRO 86 2HG PRO 86 -0.962 -15.165 -0.281 594 HD3 PRO 86 2HD PRO 86 -1.278 -13.226 0.924 595 H VAL 87 H VAL 87 -6.107 -16.039 0.999 596 HA VAL 87 HA VAL 87 -6.292 -17.284 3.507 597 HB VAL 87 HB VAL 87 -8.072 -18.649 2.545 598 HG11 VAL 87 1HG1 VAL 87 -9.069 -16.429 1.203 599 HG12 VAL 87 2HG1 VAL 87 -9.249 -16.796 2.919 600 HG13 VAL 87 3HG1 VAL 87 -7.925 -15.767 2.371 601 HG21 VAL 87 3HG2 VAL 87 -8.539 -18.005 0.014 602 HG22 VAL 87 1HG2 VAL 87 -6.786 -17.823 0.001 603 HG23 VAL 87 2HG2 VAL 87 -7.508 -19.366 0.455 604 H ALA 88 H ALA 88 -4.752 -18.264 0.533 605 HA ALA 88 HA ALA 88 -4.356 -20.995 1.387 606 HB1 ALA 88 1HB ALA 88 -4.238 -21.233 -0.819 607 HB2 ALA 88 2HB ALA 88 -4.055 -19.496 -1.059 608 HB3 ALA 88 3HB ALA 88 -2.637 -20.496 -0.745 609 H GLY 89 H GLY 89 -2.660 -17.980 1.594 610 HA2 GLY 89 2HA GLY 89 -0.019 -18.776 1.833 611 HA3 GLY 89 3HA GLY 89 -0.721 -17.407 2.682 612 H GLY 90 H GLY 90 1.319 -19.377 3.533 613 HA2 GLY 90 2HA GLY 90 -0.054 -20.259 5.992 614 HA3 GLY 90 3HA GLY 90 1.056 -21.328 5.147 Start of MODEL 6 1 H1 MET 1 H MET 1 -4.004 11.708 6.454 2 HA MET 1 HA MET 1 -1.253 11.318 6.704 3 HB3 MET 1 2HB MET 1 -2.811 10.962 9.263 4 HG3 MET 1 2HG MET 1 -0.242 9.707 8.420 5 HE1 MET 1 3HE MET 1 1.592 11.870 11.051 6 HE2 MET 1 1HE MET 1 1.572 11.253 9.398 7 HE3 MET 1 2HE MET 1 0.365 12.432 9.913 8 H VAL 2 H VAL 2 -0.665 9.181 6.350 9 HA VAL 2 HA VAL 2 -2.903 7.291 6.006 10 HB VAL 2 HB VAL 2 -1.779 6.322 4.100 11 HG11 VAL 2 1HG1 VAL 2 -3.242 8.089 3.514 12 HG12 VAL 2 2HG1 VAL 2 -2.065 9.316 3.985 13 HG13 VAL 2 3HG1 VAL 2 -1.779 8.320 2.557 14 HG21 VAL 2 3HG2 VAL 2 0.455 6.426 4.100 15 HG22 VAL 2 1HG2 VAL 2 0.253 8.014 3.362 16 HG23 VAL 2 2HG2 VAL 2 0.476 7.874 5.106 17 H THR 3 H THR 3 -2.648 5.236 6.745 18 HA THR 3 HA THR 3 -0.056 4.553 7.969 19 HB THR 3 HB THR 3 -2.658 3.628 9.156 20 HG1 THR 3 1HG THR 3 -2.995 5.636 9.728 21 HG21 THR 3 3HG2 THR 3 0.204 3.789 10.031 22 HG22 THR 3 1HG2 THR 3 -0.894 2.409 10.061 23 HG23 THR 3 2HG2 THR 3 -1.093 3.721 11.223 24 H VAL 4 H VAL 4 0.722 2.567 7.539 25 HA VAL 4 HA VAL 4 -1.054 0.680 6.129 26 HB VAL 4 HB VAL 4 1.052 -0.133 4.976 27 HG11 VAL 4 1HG1 VAL 4 0.855 2.547 3.922 28 HG12 VAL 4 2HG1 VAL 4 0.312 1.020 3.223 29 HG13 VAL 4 3HG1 VAL 4 -0.734 1.904 4.334 30 HG21 VAL 4 3HG2 VAL 4 2.102 2.477 6.060 31 HG22 VAL 4 1HG2 VAL 4 2.716 0.859 6.402 32 HG23 VAL 4 2HG2 VAL 4 2.877 1.540 4.783 33 H ARG 5 H ARG 5 -0.944 -1.458 6.687 34 HA ARG 5 HA ARG 5 0.846 -2.133 8.929 35 HB3 ARG 5 2HB ARG 5 -1.118 -3.908 9.286 36 HG3 ARG 5 2HG ARG 5 -1.871 -1.216 10.246 37 HD3 ARG 5 2HD ARG 5 -1.526 -2.712 12.423 38 HE ARG 5 HE ARG 5 -3.960 -3.426 11.069 39 HH11 ARG 5 1HH1 ARG 5 -2.229 -0.891 12.710 40 HH12 ARG 5 2HH1 ARG 5 -3.661 -0.025 13.159 41 HH21 ARG 5 1HH2 ARG 5 -5.852 -2.295 11.653 42 HH22 ARG 5 2HH2 ARG 5 -5.722 -0.825 12.558 43 H TYR 6 H TYR 6 1.669 -4.263 9.015 44 HA TYR 6 HA TYR 6 1.312 -5.915 6.626 45 HB3 TYR 6 2HB TYR 6 3.654 -6.140 6.218 46 HD1 TYR 6 2HD TYR 6 2.143 -4.718 4.533 47 HD2 TYR 6 1HD TYR 6 4.717 -3.073 7.494 48 HE1 TYR 6 2HE TYR 6 2.250 -2.614 3.263 49 HE2 TYR 6 1HE TYR 6 4.829 -0.964 6.234 50 HH TYR 6 HH TYR 6 4.511 -0.319 3.691 51 H TYR 7 H TYR 7 1.314 -8.057 7.029 52 HA TYR 7 HA TYR 7 1.424 -8.901 9.793 53 HB3 TYR 7 2HB TYR 7 0.938 -11.195 8.548 54 HD1 TYR 7 2HD TYR 7 -0.846 -7.911 8.391 55 HD2 TYR 7 1HD TYR 7 -0.978 -12.004 9.541 56 HE1 TYR 7 2HE TYR 7 -3.073 -7.557 9.373 57 HE2 TYR 7 1HE TYR 7 -3.206 -11.663 10.525 58 HH TYR 7 HH TYR 7 -4.579 -8.504 10.912 59 H ALA 8 H ALA 8 2.418 -11.273 10.010 60 HA ALA 8 HA ALA 8 5.186 -10.987 10.017 61 HB1 ALA 8 1HB ALA 8 3.279 -13.139 10.562 62 HB2 ALA 8 2HB ALA 8 4.869 -13.696 10.038 63 HB3 ALA 8 3HB ALA 8 4.722 -12.646 11.449 64 H THR 9 H THR 9 3.060 -12.010 7.494 65 HA THR 9 HA THR 9 4.892 -13.486 5.929 66 HB THR 9 HB THR 9 3.341 -13.094 4.053 67 HG1 THR 9 1HG THR 9 1.738 -11.633 4.198 68 HG21 THR 9 3HG2 THR 9 2.902 -14.797 5.883 69 HG22 THR 9 1HG2 THR 9 1.503 -14.302 4.932 70 HG23 THR 9 2HG2 THR 9 1.749 -13.643 6.550 71 H LEU 10 H LEU 10 4.118 -10.055 6.114 72 HA LEU 10 HA LEU 10 6.025 -9.466 3.977 73 HB3 LEU 10 2HB LEU 10 5.171 -7.057 4.561 74 HG LEU 10 HG LEU 10 4.586 -8.081 2.428 75 HD11 LEU 10 1HD1 LEU 10 2.389 -9.341 2.332 76 HD12 LEU 10 2HD1 LEU 10 2.536 -9.530 4.080 77 HD13 LEU 10 3HD1 LEU 10 3.766 -10.208 3.013 78 HD21 LEU 10 3HD2 LEU 10 2.422 -6.684 3.965 79 HD22 LEU 10 1HD2 LEU 10 2.220 -7.115 2.266 80 HD23 LEU 10 2HD2 LEU 10 3.521 -6.027 2.751 81 H ARG 11 H ARG 11 6.746 -10.403 6.733 82 HA ARG 11 HA ARG 11 7.833 -8.294 8.234 83 HB3 ARG 11 2HB ARG 11 8.183 -11.236 8.124 84 HG3 ARG 11 2HG ARG 11 10.256 -9.400 9.239 85 HD3 ARG 11 2HD ARG 11 9.268 -11.971 10.405 86 HE ARG 11 HE ARG 11 11.883 -11.265 11.298 87 HH11 ARG 11 1HH1 ARG 11 10.135 -13.025 8.856 88 HH12 ARG 11 2HH1 ARG 11 11.428 -14.136 8.546 89 HH21 ARG 11 1HH2 ARG 11 13.592 -12.720 10.899 90 HH22 ARG 11 2HH2 ARG 11 13.394 -13.962 9.709 91 HA PRO 12 HA PRO 12 12.028 -9.193 6.008 92 HB3 PRO 12 2HB PRO 12 12.199 -11.418 5.463 93 HG3 PRO 12 2HG PRO 12 10.326 -12.648 4.841 94 HD3 PRO 12 2HD PRO 12 9.539 -11.680 6.778 95 H ILE 13 H ILE 13 9.060 -8.460 4.552 96 HA ILE 13 HA ILE 13 10.264 -7.202 2.208 97 HB ILE 13 HB ILE 13 7.345 -7.126 2.928 98 HG13 ILE 13 2HG1 ILE 13 8.049 -9.472 2.992 99 HG21 ILE 13 1HG2 ILE 13 6.980 -6.670 0.657 100 HG22 ILE 13 2HG2 ILE 13 8.376 -5.688 1.095 101 HG23 ILE 13 3HG2 ILE 13 8.602 -7.193 0.203 102 HD11 ILE 13 3HD1 ILE 13 6.122 -8.465 1.166 103 HD12 ILE 13 1HD1 ILE 13 6.920 -9.860 0.438 104 HD13 ILE 13 2HD1 ILE 13 6.146 -10.010 2.015 105 H THR 14 H THR 14 9.080 -6.409 5.344 106 HA THR 14 HA THR 14 9.364 -3.544 4.716 107 HB THR 14 HB THR 14 7.763 -4.200 7.094 108 HG1 THR 14 1HG THR 14 6.937 -4.941 4.480 109 HG21 THR 14 3HG2 THR 14 6.736 -2.524 4.882 110 HG22 THR 14 1HG2 THR 14 8.213 -1.968 5.668 111 HG23 THR 14 2HG2 THR 14 6.750 -2.223 6.620 112 H LYS 15 H LYS 15 11.006 -5.920 6.022 113 HA LYS 15 HA LYS 15 12.556 -6.174 7.675 114 HB3 LYS 15 2HB LYS 15 13.942 -4.238 8.126 115 HG3 LYS 15 2HG LYS 15 14.357 -3.344 5.859 116 HD3 LYS 15 2HD LYS 15 13.851 -6.289 5.618 117 HE3 LYS 15 2HE LYS 15 16.170 -4.519 4.846 118 HZ1 LYS 15 3HZ LYS 15 16.667 -6.589 3.460 119 HZ2 LYS 15 1HZ LYS 15 15.664 -7.412 4.545 120 HZ3 LYS 15 2HZ LYS 15 17.057 -6.634 5.105 121 H LYS 16 H LYS 16 9.777 -5.873 8.508 122 HA LYS 16 HA LYS 16 8.518 -5.599 10.387 123 HB3 LYS 16 2HB LYS 16 9.525 -6.257 12.438 124 HG3 LYS 16 2HG LYS 16 11.068 -7.541 10.194 125 HD3 LYS 16 2HD LYS 16 11.355 -9.419 11.774 126 HE3 LYS 16 2HE LYS 16 12.506 -7.029 13.144 127 HZ1 LYS 16 3HZ LYS 16 13.776 -9.530 12.176 128 HZ2 LYS 16 1HZ LYS 16 13.150 -9.333 13.736 129 HZ3 LYS 16 2HZ LYS 16 14.448 -8.380 13.219 130 H LYS 17 H LYS 17 8.512 -3.276 9.395 131 HA LYS 17 HA LYS 17 8.783 -1.463 11.627 132 HB3 LYS 17 2HB LYS 17 10.091 -0.579 9.078 133 HG3 LYS 17 2HG LYS 17 11.544 0.579 10.920 134 HD3 LYS 17 2HD LYS 17 8.725 1.518 10.391 135 HE3 LYS 17 2HE LYS 17 11.269 2.856 11.234 136 HZ1 LYS 17 3HZ LYS 17 9.204 4.690 10.568 137 HZ2 LYS 17 1HZ LYS 17 9.696 3.826 9.199 138 HZ3 LYS 17 2HZ LYS 17 10.830 4.696 10.102 139 H GLU 18 H GLU 18 7.047 -0.198 11.666 140 HA GLU 18 HA GLU 18 5.687 0.393 9.120 141 HB3 GLU 18 2HB GLU 18 4.493 -0.351 11.787 142 HG3 GLU 18 2HG GLU 18 2.310 -0.126 10.339 143 H GLU 19 H GLU 19 4.864 2.444 8.846 144 HA GLU 19 HA GLU 19 4.897 4.358 11.006 145 HB3 GLU 19 2HB GLU 19 7.274 4.249 10.137 146 HG3 GLU 19 2HG GLU 19 7.754 5.531 8.100 147 H THR 20 H THR 20 4.090 6.496 10.303 148 HA THR 20 HA THR 20 2.144 6.160 8.126 149 HB THR 20 HB THR 20 1.072 8.225 9.207 150 HG1 THR 20 1HG THR 20 2.451 9.010 10.660 151 HG21 THR 20 3HG2 THR 20 1.192 5.695 10.850 152 HG22 THR 20 1HG2 THR 20 0.202 5.914 9.408 153 HG23 THR 20 2HG2 THR 20 -0.106 6.888 10.846 154 H PHE 21 H PHE 21 1.606 8.131 6.869 155 HA PHE 21 HA PHE 21 3.930 9.900 6.514 156 HB3 PHE 21 2HB PHE 21 2.295 8.695 4.274 157 HD1 PHE 21 1HD PHE 21 5.347 10.620 5.184 158 HD2 PHE 21 2HD PHE 21 2.528 9.598 2.162 159 HE1 PHE 21 1HE PHE 21 6.380 12.262 3.670 160 HE2 PHE 21 2HE PHE 21 3.557 11.237 0.644 161 HZ PHE 21 HZ PHE 21 5.484 12.573 1.397 162 H ASN 22 H ASN 22 3.495 12.018 5.984 163 HA ASN 22 HA ASN 22 0.649 12.777 5.899 164 HB3 ASN 22 2HB ASN 22 1.662 13.338 8.077 165 HD21 ASN 22 1HD2 ASN 22 2.603 16.351 7.291 166 HD22 ASN 22 2HD2 ASN 22 4.316 16.180 7.431 167 H GLY 23 H GLY 23 0.251 14.914 4.893 168 HA2 GLY 23 2HA GLY 23 1.193 16.712 3.504 169 HA3 GLY 23 3HA GLY 23 2.251 15.501 2.797 170 H ILE 24 H ILE 24 0.612 13.455 2.184 171 HA ILE 24 HA ILE 24 -1.291 14.675 0.293 172 HB ILE 24 HB ILE 24 0.682 13.536 -0.739 173 HG13 ILE 24 2HG1 ILE 24 -1.958 13.526 -1.503 174 HG21 ILE 24 1HG2 ILE 24 1.324 11.502 -0.118 175 HG22 ILE 24 2HG2 ILE 24 0.092 11.552 1.141 176 HG23 ILE 24 3HG2 ILE 24 -0.282 10.846 -0.431 177 HD11 ILE 24 3HD1 ILE 24 0.534 13.407 -2.794 178 HD12 ILE 24 1HD1 ILE 24 -0.482 12.169 -3.529 179 HD13 ILE 24 2HD1 ILE 24 -1.030 13.845 -3.480 180 H SER 25 H SER 25 -3.276 13.640 -0.082 181 HA SER 25 HA SER 25 -4.019 11.589 1.897 182 HB3 SER 25 2HB SER 25 -6.357 12.760 1.727 183 HG SER 25 HG SER 25 -4.321 14.150 3.117 184 H LYS 26 H LYS 26 -3.197 10.718 -0.478 185 HA LYS 26 HA LYS 26 -5.655 9.701 -1.669 186 HB3 LYS 26 2HB LYS 26 -4.384 10.050 -3.967 187 HG3 LYS 26 2HG LYS 26 -5.801 12.360 -2.653 188 HD3 LYS 26 2HD LYS 26 -4.583 12.671 -4.894 189 HE3 LYS 26 2HE LYS 26 -5.604 10.374 -5.658 190 HZ1 LYS 26 3HZ LYS 26 -7.542 11.183 -7.232 191 HZ2 LYS 26 1HZ LYS 26 -7.818 12.256 -5.954 192 HZ3 LYS 26 2HZ LYS 26 -7.846 10.588 -5.679 193 H ILE 27 H ILE 27 -5.369 7.740 -2.843 194 HA ILE 27 HA ILE 27 -3.394 6.030 -1.746 195 HB ILE 27 HB ILE 27 -5.257 5.594 -4.082 196 HG13 ILE 27 2HG1 ILE 27 -6.662 4.422 -2.524 197 HG21 ILE 27 1HG2 ILE 27 -3.427 4.080 -4.317 198 HG22 ILE 27 2HG2 ILE 27 -3.476 3.669 -2.603 199 HG23 ILE 27 3HG2 ILE 27 -4.793 3.174 -3.667 200 HD11 ILE 27 3HD1 ILE 27 -6.055 4.575 -0.036 201 HD12 ILE 27 1HD1 ILE 27 -5.310 3.307 -1.010 202 HD13 ILE 27 2HD1 ILE 27 -4.395 4.760 -0.605 203 H SER 28 H SER 28 -3.503 8.015 -4.569 204 HA SER 28 HA SER 28 -1.743 6.751 -6.287 205 HB3 SER 28 2HB SER 28 -1.518 9.713 -5.933 206 HG SER 28 HG SER 28 -1.563 9.618 -8.180 207 H GLU 29 H GLU 29 -0.936 9.130 -3.756 208 HA GLU 29 HA GLU 29 1.881 8.763 -4.082 209 HB3 GLU 29 2HB GLU 29 1.385 9.883 -1.543 210 HG3 GLU 29 2HG GLU 29 3.109 10.729 -2.962 211 H LEU 30 H LEU 30 -0.586 7.437 -1.977 212 HA LEU 30 HA LEU 30 1.033 6.291 -0.013 213 HB3 LEU 30 2HB LEU 30 -1.605 5.384 -1.149 214 HG LEU 30 HG LEU 30 -0.155 3.726 0.410 215 HD11 LEU 30 1HD1 LEU 30 -1.238 3.945 2.701 216 HD12 LEU 30 2HD1 LEU 30 -1.618 5.604 2.239 217 HD13 LEU 30 3HD1 LEU 30 0.062 5.073 2.319 218 HD21 LEU 30 3HD2 LEU 30 -2.103 2.514 0.650 219 HD22 LEU 30 1HD2 LEU 30 -2.500 3.568 -0.707 220 HD23 LEU 30 2HD2 LEU 30 -3.092 3.951 0.910 221 H LEU 31 H LEU 31 -0.194 4.864 -3.034 222 HA LEU 31 HA LEU 31 1.178 2.400 -2.704 223 HB3 LEU 31 2HB LEU 31 0.770 2.436 -5.334 224 HG LEU 31 HG LEU 31 -1.503 2.189 -3.364 225 HD11 LEU 31 1HD1 LEU 31 -1.456 2.136 -6.247 226 HD12 LEU 31 2HD1 LEU 31 -2.828 2.060 -5.140 227 HD13 LEU 31 3HD1 LEU 31 -1.973 0.583 -5.588 228 HD21 LEU 31 3HD2 LEU 31 -0.385 -0.205 -4.614 229 HD22 LEU 31 1HD2 LEU 31 -0.814 0.104 -2.931 230 HD23 LEU 31 2HD2 LEU 31 0.745 0.645 -3.558 231 H GLU 32 H GLU 32 1.940 5.421 -4.350 232 HA GLU 32 HA GLU 32 4.236 4.515 -5.717 233 HB3 GLU 32 2HB GLU 32 3.752 7.323 -4.724 234 HG3 GLU 32 2HG GLU 32 4.721 7.751 -7.102 235 H ARG 33 H ARG 33 3.742 5.829 -2.490 236 HA ARG 33 HA ARG 33 6.541 6.002 -1.887 237 HB3 ARG 33 2HB ARG 33 5.268 5.990 0.543 238 HG3 ARG 33 2HG ARG 33 5.236 8.434 0.421 239 HD3 ARG 33 2HD ARG 33 7.721 7.957 -1.033 240 HE ARG 33 HE ARG 33 8.118 9.562 0.543 241 HH11 ARG 33 1HH1 ARG 33 6.426 6.911 2.037 242 HH12 ARG 33 2HH1 ARG 33 6.579 7.548 3.642 243 HH21 ARG 33 1HH2 ARG 33 8.324 10.410 2.649 244 HH22 ARG 33 2HH2 ARG 33 7.657 9.539 3.989 245 H LEU 34 H LEU 34 3.970 3.666 -1.352 246 HA LEU 34 HA LEU 34 5.475 1.994 0.403 247 HB3 LEU 34 2HB LEU 34 3.519 0.434 -0.858 248 HG LEU 34 HG LEU 34 3.919 0.479 1.591 249 HD11 LEU 34 1HD1 LEU 34 3.257 3.234 1.248 250 HD12 LEU 34 2HD1 LEU 34 3.837 2.400 2.689 251 HD13 LEU 34 3HD1 LEU 34 2.107 2.492 2.361 252 HD21 LEU 34 3HD2 LEU 34 1.036 1.064 1.341 253 HD22 LEU 34 1HD2 LEU 34 1.857 -0.345 2.012 254 HD23 LEU 34 2HD2 LEU 34 1.681 -0.177 0.265 255 H LYS 35 H LYS 35 4.782 1.965 -3.065 256 HA LYS 35 HA LYS 35 6.023 -0.496 -3.649 257 HB3 LYS 35 2HB LYS 35 5.477 1.943 -5.340 258 HG3 LYS 35 2HG LYS 35 5.683 -0.302 -6.999 259 HD3 LYS 35 2HD LYS 35 7.683 1.002 -7.890 260 HE3 LYS 35 2HE LYS 35 5.333 2.815 -7.538 261 HZ1 LYS 35 3HZ LYS 35 5.716 2.784 -10.079 262 HZ2 LYS 35 1HZ LYS 35 7.234 2.148 -9.682 263 HZ3 LYS 35 2HZ LYS 35 6.773 3.667 -9.096 264 H VAL 36 H VAL 36 7.256 2.812 -3.537 265 HA VAL 36 HA VAL 36 9.874 2.092 -4.468 266 HB VAL 36 HB VAL 36 8.891 4.370 -4.758 267 HG11 VAL 36 1HG1 VAL 36 7.854 4.607 -2.570 268 HG12 VAL 36 2HG1 VAL 36 9.443 4.604 -1.801 269 HG13 VAL 36 3HG1 VAL 36 8.980 5.930 -2.868 270 HG21 VAL 36 3HG2 VAL 36 11.350 3.850 -4.866 271 HG22 VAL 36 1HG2 VAL 36 10.953 5.526 -4.491 272 HG23 VAL 36 2HG2 VAL 36 11.474 4.434 -3.207 273 H GLU 37 H GLU 37 8.302 2.427 -1.364 274 HA GLU 37 HA GLU 37 10.380 2.714 0.387 275 HB3 GLU 37 2HB GLU 37 8.868 0.824 1.672 276 HG3 GLU 37 2HG GLU 37 7.327 2.865 2.225 277 H TYR 38 H TYR 38 9.213 -0.365 -0.968 278 HA TYR 38 HA TYR 38 11.736 -1.611 -0.111 279 HB3 TYR 38 2HB TYR 38 9.280 -3.119 -0.983 280 HD1 TYR 38 1HD TYR 38 12.062 -3.071 1.524 281 HD2 TYR 38 2HD TYR 38 9.706 -5.371 -1.171 282 HE1 TYR 38 1HE TYR 38 13.366 -5.075 2.102 283 HE2 TYR 38 2HE TYR 38 11.003 -7.380 -0.600 284 HH TYR 38 HH TYR 38 12.925 -8.110 0.393 285 H GLY 39 H GLY 39 9.515 -1.224 -2.829 286 HA2 GLY 39 2HA GLY 39 10.659 -0.842 -5.004 287 HA3 GLY 39 3HA GLY 39 11.656 -2.232 -4.601 288 H SER 40 H SER 40 11.017 -3.216 -6.576 289 HA SER 40 HA SER 40 8.330 -3.721 -7.272 290 HB3 SER 40 2HB SER 40 9.205 -5.243 -8.921 291 HG SER 40 HG SER 40 10.919 -3.940 -9.790 292 H GLU 41 H GLU 41 10.597 -5.380 -5.199 293 HA GLU 41 HA GLU 41 9.505 -7.900 -5.012 294 HB3 GLU 41 2HB GLU 41 10.194 -7.458 -2.424 295 HG3 GLU 41 2HG GLU 41 12.560 -7.973 -3.085 296 H PHE 42 H PHE 42 8.552 -4.988 -3.214 297 HA PHE 42 HA PHE 42 6.427 -6.316 -1.829 298 HB3 PHE 42 2HB PHE 42 6.992 -3.365 -2.184 299 HD1 PHE 42 1HD PHE 42 5.067 -5.941 -0.345 300 HD2 PHE 42 2HD PHE 42 5.661 -1.793 -1.087 301 HE1 PHE 42 1HE PHE 42 3.013 -5.427 0.909 302 HE2 PHE 42 2HE PHE 42 3.608 -1.271 0.166 303 HZ PHE 42 HZ PHE 42 2.281 -3.089 1.164 304 H THR 43 H THR 43 6.587 -4.019 -4.533 305 HA THR 43 HA THR 43 3.894 -3.658 -5.011 306 HB THR 43 HB THR 43 5.595 -4.000 -7.418 307 HG1 THR 43 1HG THR 43 6.899 -2.278 -6.914 308 HG21 THR 43 3HG2 THR 43 3.271 -2.959 -7.297 309 HG22 THR 43 1HG2 THR 43 4.512 -2.032 -8.139 310 HG23 THR 43 2HG2 THR 43 4.044 -1.592 -6.497 311 H LYS 44 H LYS 44 6.000 -6.268 -6.158 312 HA LYS 44 HA LYS 44 3.934 -7.558 -7.661 313 HB3 LYS 44 2HB LYS 44 5.545 -9.375 -7.932 314 HG3 LYS 44 2HG LYS 44 7.627 -7.946 -8.582 315 HD3 LYS 44 2HD LYS 44 4.908 -7.612 -9.847 316 HE3 LYS 44 2HE LYS 44 7.652 -7.092 -10.989 317 HZ1 LYS 44 3HZ LYS 44 6.759 -7.201 -13.003 318 HZ2 LYS 44 1HZ LYS 44 5.417 -6.273 -12.555 319 HZ3 LYS 44 2HZ LYS 44 5.408 -7.946 -12.307 320 H GLN 45 H GLN 45 5.034 -7.658 -4.376 321 HA GLN 45 HA GLN 45 3.881 -10.185 -3.711 322 HB3 GLN 45 2HB GLN 45 4.448 -7.965 -1.757 323 HG3 GLN 45 2HG GLN 45 3.509 -10.415 -1.240 324 HE21 GLN 45 1HE2 GLN 45 4.630 -12.072 0.283 325 HE22 GLN 45 2HE2 GLN 45 6.022 -12.843 -0.388 326 H MET 46 H MET 46 2.734 -6.899 -3.832 327 HA MET 46 HA MET 46 0.147 -7.781 -2.733 328 HB3 MET 46 2HB MET 46 1.071 -4.919 -2.939 329 HG3 MET 46 2HG MET 46 -1.013 -6.281 -1.252 330 HE1 MET 46 3HE MET 46 -0.405 -1.768 -1.210 331 HE2 MET 46 1HE MET 46 1.024 -2.667 -1.723 332 HE3 MET 46 2HE MET 46 -0.493 -2.840 -2.609 333 H TYR 47 H TYR 47 1.563 -7.453 -5.577 334 HA TYR 47 HA TYR 47 -0.795 -7.299 -7.072 335 HB3 TYR 47 2HB TYR 47 0.654 -4.864 -7.824 336 HD1 TYR 47 2HD TYR 47 -2.567 -6.142 -6.414 337 HD2 TYR 47 1HD TYR 47 -0.652 -3.714 -9.338 338 HE1 TYR 47 2HE TYR 47 -4.754 -5.642 -7.423 339 HE2 TYR 47 1HE TYR 47 -2.833 -3.208 -10.354 340 HH TYR 47 HH TYR 47 -5.766 -4.817 -9.308 341 H ASP 48 H ASP 48 0.091 -9.005 -8.175 342 HA ASP 48 HA ASP 48 2.629 -8.591 -9.575 343 HB3 ASP 48 2HB ASP 48 0.997 -11.129 -9.476 344 H GLY 49 H GLY 49 1.978 -7.195 -11.222 345 HA2 GLY 49 2HA GLY 49 1.480 -6.951 -13.488 346 HA3 GLY 49 3HA GLY 49 0.699 -8.526 -13.461 347 H ASN 50 H ASN 50 -1.436 -8.650 -12.419 348 HA ASN 50 HA ASN 50 -2.888 -6.092 -12.544 349 HB3 ASN 50 2HB ASN 50 -4.833 -7.475 -13.458 350 HD21 ASN 50 1HD2 ASN 50 -5.146 -6.044 -15.006 351 HD22 ASN 50 2HD2 ASN 50 -4.092 -5.754 -16.344 352 H ASN 51 H ASN 51 -2.749 -9.370 -11.252 353 HA ASN 51 HA ASN 51 -4.373 -8.456 -8.973 354 HB3 ASN 51 2HB ASN 51 -5.037 -10.993 -8.874 355 HD21 ASN 51 1HD2 ASN 51 -6.834 -9.861 -8.184 356 HD22 ASN 51 2HD2 ASN 51 -8.019 -9.244 -9.280 357 H LEU 52 H LEU 52 -4.018 -9.762 -6.989 358 HA LEU 52 HA LEU 52 -1.391 -9.766 -6.176 359 HB3 LEU 52 2HB LEU 52 -2.094 -11.103 -4.277 360 HG LEU 52 HG LEU 52 -3.504 -9.647 -3.286 361 HD11 LEU 52 1HD1 LEU 52 -1.912 -8.373 -4.851 362 HD12 LEU 52 2HD1 LEU 52 -3.268 -7.497 -4.143 363 HD13 LEU 52 3HD1 LEU 52 -3.353 -8.048 -5.816 364 HD21 LEU 52 3HD2 LEU 52 -5.344 -10.673 -4.967 365 HD22 LEU 52 1HD2 LEU 52 -5.269 -9.013 -5.558 366 HD23 LEU 52 2HD2 LEU 52 -5.658 -9.330 -3.867 367 H PHE 53 H PHE 53 0.025 -11.555 -5.565 368 HA PHE 53 HA PHE 53 0.325 -13.407 -7.738 369 HB3 PHE 53 2HB PHE 53 1.893 -12.963 -5.196 370 HD1 PHE 53 1HD PHE 53 2.279 -14.585 -8.539 371 HD2 PHE 53 2HD PHE 53 3.117 -14.706 -4.368 372 HE1 PHE 53 1HE PHE 53 3.538 -16.675 -8.857 373 HE2 PHE 53 2HE PHE 53 4.378 -16.796 -4.679 374 HZ PHE 53 HZ PHE 53 4.590 -17.783 -6.925 375 H LYS 54 H LYS 54 0.221 -13.946 -4.213 376 HA LYS 54 HA LYS 54 -0.678 -16.673 -4.647 377 HB3 LYS 54 2HB LYS 54 -0.102 -15.179 -2.081 378 HG3 LYS 54 2HG LYS 54 -0.599 -18.097 -2.609 379 HD3 LYS 54 2HD LYS 54 -0.118 -17.985 0.033 380 HE3 LYS 54 2HE LYS 54 1.963 -18.379 -2.116 381 HZ1 LYS 54 3HZ LYS 54 2.534 -18.244 0.453 382 HZ2 LYS 54 1HZ LYS 54 3.307 -19.329 -0.589 383 HZ3 LYS 54 2HZ LYS 54 2.036 -19.859 0.392 384 H ASN 55 H ASN 55 -1.823 -13.874 -2.753 385 HA ASN 55 HA ASN 55 -4.399 -13.731 -3.554 386 HB3 ASN 55 2HB ASN 55 -5.224 -15.188 -1.333 387 HD21 ASN 55 1HD2 ASN 55 -5.305 -17.769 -2.806 388 HD22 ASN 55 2HD2 ASN 55 -6.452 -17.523 -4.075 389 H VAL 56 H VAL 56 -2.577 -12.003 -2.499 390 HA VAL 56 HA VAL 56 -2.923 -11.443 0.254 391 HB VAL 56 HB VAL 56 -2.216 -9.387 -1.828 392 HG11 VAL 56 1HG1 VAL 56 -2.536 -8.520 0.401 393 HG12 VAL 56 2HG1 VAL 56 -1.459 -9.748 1.069 394 HG13 VAL 56 3HG1 VAL 56 -0.818 -8.495 0.005 395 HG21 VAL 56 3HG2 VAL 56 -0.618 -10.850 -2.470 396 HG22 VAL 56 1HG2 VAL 56 0.191 -10.274 -1.012 397 HG23 VAL 56 2HG2 VAL 56 -0.720 -11.783 -0.976 398 H ILE 57 H ILE 57 -4.296 -10.084 1.321 399 HA ILE 57 HA ILE 57 -6.432 -8.824 -0.272 400 HB ILE 57 HB ILE 57 -6.752 -10.199 2.400 401 HG13 ILE 57 2HG1 ILE 57 -6.527 -11.553 0.177 402 HG21 ILE 57 1HG2 ILE 57 -9.245 -9.639 1.232 403 HG22 ILE 57 2HG2 ILE 57 -8.547 -8.927 2.685 404 HG23 ILE 57 3HG2 ILE 57 -8.299 -8.156 1.120 405 HD11 ILE 57 3HD1 ILE 57 -7.730 -13.264 1.048 406 HD12 ILE 57 1HD1 ILE 57 -7.620 -12.241 2.481 407 HD13 ILE 57 2HD1 ILE 57 -9.087 -12.232 1.500 408 H ILE 58 H ILE 58 -6.071 -6.703 -0.146 409 HA ILE 58 HA ILE 58 -5.543 -5.549 2.514 410 HB ILE 58 HB ILE 58 -3.559 -4.997 1.545 411 HG13 ILE 58 2HG1 ILE 58 -4.894 -2.898 1.980 412 HG21 ILE 58 1HG2 ILE 58 -3.272 -4.566 -0.896 413 HG22 ILE 58 2HG2 ILE 58 -3.854 -6.185 -0.510 414 HG23 ILE 58 3HG2 ILE 58 -4.975 -4.967 -1.114 415 HD11 ILE 58 3HD1 ILE 58 -2.497 -2.757 1.460 416 HD12 ILE 58 1HD1 ILE 58 -2.897 -2.628 -0.253 417 HD13 ILE 58 2HD1 ILE 58 -3.408 -1.367 0.870 418 H LEU 59 H LEU 59 -6.804 -3.884 3.149 419 HA LEU 59 HA LEU 59 -8.769 -2.863 1.203 420 HB3 LEU 59 2HB LEU 59 -10.063 -2.413 3.463 421 HG LEU 59 HG LEU 59 -11.174 -4.624 3.388 422 HD11 LEU 59 1HD1 LEU 59 -11.975 -4.421 1.048 423 HD12 LEU 59 2HD1 LEU 59 -10.700 -3.238 0.755 424 HD13 LEU 59 3HD1 LEU 59 -11.970 -2.894 1.931 425 HD21 LEU 59 3HD2 LEU 59 -8.957 -5.774 2.727 426 HD22 LEU 59 1HD2 LEU 59 -9.402 -5.327 1.079 427 HD23 LEU 59 2HD2 LEU 59 -10.465 -6.367 2.028 428 H VAL 60 H VAL 60 -9.591 -0.681 1.668 429 HA VAL 60 HA VAL 60 -7.634 0.991 3.100 430 HB VAL 60 HB VAL 60 -8.969 1.781 0.510 431 HG11 VAL 60 1HG1 VAL 60 -6.541 3.074 1.664 432 HG12 VAL 60 2HG1 VAL 60 -7.781 3.749 0.606 433 HG13 VAL 60 3HG1 VAL 60 -8.128 3.479 2.315 434 HG21 VAL 60 3HG2 VAL 60 -7.503 0.103 -0.170 435 HG22 VAL 60 1HG2 VAL 60 -6.547 1.576 -0.347 436 HG23 VAL 60 2HG2 VAL 60 -6.301 0.526 1.049 437 H ASN 61 H ASN 61 -8.651 1.862 4.778 438 HA ASN 61 HA ASN 61 -10.194 2.948 6.047 439 HB3 ASN 61 2HB ASN 61 -11.398 3.803 3.407 440 HD21 ASN 61 1HD2 ASN 61 -10.771 4.647 6.790 441 HD22 ASN 61 2HD2 ASN 61 -12.202 5.592 6.998 442 H GLY 62 H GLY 62 -10.653 0.266 5.684 443 HA2 GLY 62 2HA GLY 62 -12.273 -1.358 5.832 444 HA3 GLY 62 3HA GLY 62 -13.252 -0.087 6.549 445 H ASN 63 H ASN 63 -12.018 -0.230 3.239 446 HA ASN 63 HA ASN 63 -14.361 -1.206 2.029 447 HB3 ASN 63 2HB ASN 63 -14.098 1.810 2.033 448 HD21 ASN 63 1HD2 ASN 63 -16.346 -0.807 1.184 449 HD22 ASN 63 2HD2 ASN 63 -16.881 -0.094 -0.295 450 H ASN 64 H ASN 64 -13.499 -2.119 0.293 451 HA ASN 64 HA ASN 64 -11.028 -1.598 -0.811 452 HB3 ASN 64 2HB ASN 64 -11.964 -3.635 -1.449 453 HD21 ASN 64 1HD2 ASN 64 -13.648 -4.974 -2.095 454 HD22 ASN 64 2HD2 ASN 64 -15.295 -4.452 -2.074 455 H ILE 65 H ILE 65 -10.214 -0.035 -2.041 456 HA ILE 65 HA ILE 65 -11.580 2.291 -2.700 457 HB ILE 65 HB ILE 65 -9.689 2.858 -4.141 458 HG13 ILE 65 2HG1 ILE 65 -9.362 0.691 -5.221 459 HG21 ILE 65 1HG2 ILE 65 -9.632 2.458 -1.444 460 HG22 ILE 65 2HG2 ILE 65 -8.220 1.549 -1.976 461 HG23 ILE 65 3HG2 ILE 65 -8.367 3.260 -2.375 462 HD11 ILE 65 3HD1 ILE 65 -7.229 2.258 -4.211 463 HD12 ILE 65 1HD1 ILE 65 -6.760 0.561 -4.129 464 HD13 ILE 65 2HD1 ILE 65 -7.278 1.259 -5.664 465 H THR 66 H THR 66 -11.347 -0.718 -4.412 466 HA THR 66 HA THR 66 -12.001 0.133 -7.002 467 HB THR 66 HB THR 66 -12.718 -2.162 -7.431 468 HG1 THR 66 1HG THR 66 -12.638 -3.635 -5.573 469 HG21 THR 66 3HG2 THR 66 -10.385 -2.448 -5.579 470 HG22 THR 66 1HG2 THR 66 -10.238 -1.454 -7.027 471 HG23 THR 66 2HG2 THR 66 -10.646 -3.164 -7.170 472 H SER 67 H SER 67 -13.946 -0.295 -4.157 473 HA SER 67 HA SER 67 -16.476 -0.672 -5.165 474 HB3 SER 67 2HB SER 67 -15.488 0.911 -2.800 475 HG SER 67 HG SER 67 -18.109 0.325 -2.655 476 H MET 68 H MET 68 -14.594 2.304 -5.037 477 HA MET 68 HA MET 68 -16.627 3.572 -6.749 478 HB3 MET 68 2HB MET 68 -16.944 4.928 -4.959 479 HG3 MET 68 2HG MET 68 -14.857 5.507 -3.440 480 HE1 MET 68 3HE MET 68 -15.544 5.362 -1.051 481 HE2 MET 68 1HE MET 68 -16.968 5.874 -1.959 482 HE3 MET 68 2HE MET 68 -17.127 4.686 -0.665 483 H LYS 69 H LYS 69 -13.402 4.561 -5.625 484 HA LYS 69 HA LYS 69 -12.513 4.572 -8.433 485 HB3 LYS 69 2HB LYS 69 -11.031 6.554 -7.605 486 HG3 LYS 69 2HG LYS 69 -13.947 6.726 -8.248 487 HD3 LYS 69 2HD LYS 69 -12.066 8.958 -7.537 488 HE3 LYS 69 2HE LYS 69 -13.234 9.132 -9.869 489 HZ1 LYS 69 3HZ LYS 69 -15.430 9.931 -9.826 490 HZ2 LYS 69 1HZ LYS 69 -15.455 10.051 -8.138 491 HZ3 LYS 69 2HZ LYS 69 -15.449 8.530 -8.878 492 H GLY 70 H GLY 70 -10.674 3.507 -8.826 493 HA2 GLY 70 2HA GLY 70 -9.421 1.915 -6.902 494 HA3 GLY 70 3HA GLY 70 -8.747 2.310 -8.476 495 H LEU 71 H LEU 71 -7.143 3.814 -8.638 496 HA LEU 71 HA LEU 71 -5.755 4.478 -6.217 497 HB3 LEU 71 2HB LEU 71 -5.147 5.479 -8.987 498 HG LEU 71 HG LEU 71 -3.768 5.991 -6.665 499 HD11 LEU 71 1HD1 LEU 71 -3.146 3.557 -6.635 500 HD12 LEU 71 2HD1 LEU 71 -1.790 4.684 -6.638 501 HD13 LEU 71 3HD1 LEU 71 -2.242 3.846 -8.122 502 HD21 LEU 71 3HD2 LEU 71 -2.949 5.941 -9.555 503 HD22 LEU 71 1HD2 LEU 71 -1.885 6.550 -8.286 504 HD23 LEU 71 2HD2 LEU 71 -3.446 7.319 -8.574 505 H ASP 72 H ASP 72 -8.150 5.982 -8.102 506 HA ASP 72 HA ASP 72 -7.462 8.700 -7.512 507 HB3 ASP 72 2HB ASP 72 -10.102 8.815 -8.138 508 H THR 73 H THR 73 -8.712 6.208 -5.673 509 HA THR 73 HA THR 73 -10.668 7.472 -4.111 510 HB THR 73 HB THR 73 -9.070 5.029 -3.922 511 HG1 THR 73 1HG THR 73 -11.710 5.880 -3.371 512 HG21 THR 73 3HG2 THR 73 -8.290 5.925 -1.841 513 HG22 THR 73 1HG2 THR 73 -9.541 4.737 -1.477 514 HG23 THR 73 2HG2 THR 73 -9.913 6.459 -1.402 515 H GLU 74 H GLU 74 -10.566 8.976 -2.572 516 HA GLU 74 HA GLU 74 -7.972 10.041 -1.819 517 HB3 GLU 74 2HB GLU 74 -9.652 11.653 -2.411 518 HG3 GLU 74 2HG GLU 74 -11.343 10.290 -0.348 519 H ILE 75 H ILE 75 -7.041 9.905 0.153 520 HA ILE 75 HA ILE 75 -8.509 8.421 2.235 521 HB ILE 75 HB ILE 75 -6.165 7.721 3.010 522 HG13 ILE 75 2HG1 ILE 75 -4.901 9.269 1.589 523 HG21 ILE 75 1HG2 ILE 75 -6.172 5.777 1.554 524 HG22 ILE 75 2HG2 ILE 75 -7.819 6.202 2.021 525 HG23 ILE 75 3HG2 ILE 75 -7.224 6.615 0.412 526 HD11 ILE 75 3HD1 ILE 75 -3.164 7.908 1.175 527 HD12 ILE 75 1HD1 ILE 75 -4.149 6.739 2.054 528 HD13 ILE 75 2HD1 ILE 75 -4.148 6.741 0.290 529 H LYS 76 H LYS 76 -8.967 9.668 3.912 530 HA LYS 76 HA LYS 76 -7.420 12.073 4.429 531 HB3 LYS 76 2HB LYS 76 -9.167 12.642 6.009 532 HG3 LYS 76 2HG LYS 76 -11.189 12.552 4.625 533 HD3 LYS 76 2HD LYS 76 -10.153 13.533 2.516 534 HE3 LYS 76 2HE LYS 76 -9.213 14.605 5.176 535 HZ1 LYS 76 3HZ LYS 76 -9.159 16.716 4.104 536 HZ2 LYS 76 1HZ LYS 76 -9.763 16.076 2.658 537 HZ3 LYS 76 2HZ LYS 76 -8.211 15.657 3.186 538 H ASP 77 H ASP 77 -7.126 12.560 6.888 539 HA ASP 77 HA ASP 77 -5.135 10.893 7.876 540 HB3 ASP 77 2HB ASP 77 -5.251 13.155 8.645 541 H ASP 78 H ASP 78 -8.570 10.664 8.171 542 HA ASP 78 HA ASP 78 -8.544 8.886 10.433 543 HB3 ASP 78 2HB ASP 78 -10.786 9.421 8.474 544 H ASP 79 H ASP 79 -8.500 8.591 6.959 545 HA ASP 79 HA ASP 79 -9.300 5.914 6.710 546 HB3 ASP 79 2HB ASP 79 -7.912 5.999 4.569 547 H LYS 80 H LYS 80 -8.085 4.000 6.451 548 HA LYS 80 HA LYS 80 -5.280 4.035 7.231 549 HB3 LYS 80 2HB LYS 80 -6.396 3.851 9.374 550 HG3 LYS 80 2HG LYS 80 -8.440 2.593 8.142 551 HD3 LYS 80 2HD LYS 80 -6.834 0.533 8.116 552 HE3 LYS 80 2HE LYS 80 -6.255 0.701 10.514 553 HZ1 LYS 80 3HZ LYS 80 -8.560 -0.522 11.570 554 HZ2 LYS 80 1HZ LYS 80 -9.004 0.942 10.848 555 HZ3 LYS 80 2HZ LYS 80 -7.814 0.919 12.050 556 H ILE 81 H ILE 81 -4.116 2.400 6.340 557 HA ILE 81 HA ILE 81 -5.594 0.546 4.607 558 HB ILE 81 HB ILE 81 -2.689 1.364 4.505 559 HG13 ILE 81 2HG1 ILE 81 -5.160 2.311 3.137 560 HG21 ILE 81 1HG2 ILE 81 -2.693 -0.776 3.620 561 HG22 ILE 81 2HG2 ILE 81 -4.304 -0.596 2.928 562 HG23 ILE 81 3HG2 ILE 81 -2.932 0.228 2.190 563 HD11 ILE 81 3HD1 ILE 81 -3.585 4.369 2.938 564 HD12 ILE 81 1HD1 ILE 81 -4.345 3.978 4.481 565 HD13 ILE 81 2HD1 ILE 81 -2.662 3.539 4.190 566 H ASP 82 H ASP 82 -5.332 -1.638 4.735 567 HA ASP 82 HA ASP 82 -3.487 -2.667 6.784 568 HB3 ASP 82 2HB ASP 82 -6.034 -4.130 6.429 569 H LEU 83 H LEU 83 -2.581 -4.682 6.383 570 HA LEU 83 HA LEU 83 -3.076 -5.779 3.692 571 HB3 LEU 83 2HB LEU 83 -0.439 -5.824 5.142 572 HG LEU 83 HG LEU 83 0.502 -6.042 2.820 573 HD11 LEU 83 1HD1 LEU 83 0.567 -8.303 3.013 574 HD12 LEU 83 2HD1 LEU 83 -1.168 -8.443 3.296 575 HD13 LEU 83 3HD1 LEU 83 -0.102 -7.919 4.599 576 HD21 LEU 83 3HD2 LEU 83 -2.301 -6.877 2.102 577 HD22 LEU 83 1HD2 LEU 83 -0.894 -6.792 1.041 578 HD23 LEU 83 2HD2 LEU 83 -1.605 -5.311 1.684 579 H PHE 84 H PHE 84 -3.944 -7.732 3.788 580 HA PHE 84 HA PHE 84 -3.314 -9.448 6.095 581 HB3 PHE 84 2HB PHE 84 -5.439 -10.621 5.573 582 HD1 PHE 84 2HD PHE 84 -5.431 -9.826 7.927 583 HD2 PHE 84 1HD PHE 84 -6.614 -7.329 4.689 584 HE1 PHE 84 2HE PHE 84 -6.544 -8.306 9.510 585 HE2 PHE 84 1HE PHE 84 -7.728 -5.805 6.267 586 HZ PHE 84 HZ PHE 84 -7.693 -6.292 8.681 587 HA PRO 85 HA PRO 85 -1.179 -12.186 3.380 588 HB3 PRO 85 2HB PRO 85 -0.181 -13.028 5.271 589 HG3 PRO 85 2HG PRO 85 -1.338 -13.153 7.284 590 HD3 PRO 85 2HD PRO 85 -1.766 -10.960 6.716 591 HA PRO 86 HA PRO 86 -4.107 -14.584 1.138 592 HB3 PRO 86 2HB PRO 86 -2.445 -14.972 -0.401 593 HG3 PRO 86 2HG PRO 86 -0.244 -15.307 0.270 594 HD3 PRO 86 2HD PRO 86 -0.726 -13.379 1.439 595 H VAL 87 H VAL 87 -5.427 -16.400 1.250 596 HA VAL 87 HA VAL 87 -5.784 -17.618 3.721 597 HB VAL 87 HB VAL 87 -7.205 -19.285 2.489 598 HG11 VAL 87 1HG1 VAL 87 -8.564 -17.218 1.372 599 HG12 VAL 87 2HG1 VAL 87 -8.592 -17.621 3.090 600 HG13 VAL 87 3HG1 VAL 87 -7.506 -16.365 2.496 601 HG21 VAL 87 3HG2 VAL 87 -5.939 -19.386 0.416 602 HG22 VAL 87 1HG2 VAL 87 -7.602 -18.893 0.097 603 HG23 VAL 87 2HG2 VAL 87 -6.309 -17.694 0.086 604 H ALA 88 H ALA 88 -3.857 -18.614 0.971 605 HA ALA 88 HA ALA 88 -3.333 -21.251 1.989 606 HB1 ALA 88 1HB ALA 88 -2.526 -19.674 -0.379 607 HB2 ALA 88 2HB ALA 88 -1.426 -20.951 0.141 608 HB3 ALA 88 3HB ALA 88 -3.099 -21.339 -0.261 609 H GLY 89 H GLY 89 -1.896 -18.102 2.286 610 HA2 GLY 89 2HA GLY 89 0.690 -18.957 3.126 611 HA3 GLY 89 3HA GLY 89 0.002 -17.356 3.354 612 H GLY 90 H GLY 90 1.087 -17.422 5.440 613 HA2 GLY 90 2HA GLY 90 0.225 -17.302 7.714 614 HA3 GLY 90 3HA GLY 90 -0.564 -18.846 7.431 Start of MODEL 7 1 H1 MET 1 H MET 1 -3.456 11.757 6.203 2 HA MET 1 HA MET 1 -0.712 11.104 6.405 3 HB3 MET 1 2HB MET 1 -2.332 11.021 8.949 4 HG3 MET 1 2HG MET 1 0.306 9.698 8.370 5 HE1 MET 1 3HE MET 1 -2.288 9.717 11.688 6 HE2 MET 1 1HE MET 1 -1.790 8.262 10.823 7 HE3 MET 1 2HE MET 1 -1.100 8.629 12.404 8 H VAL 2 H VAL 2 -0.337 8.878 6.248 9 HA VAL 2 HA VAL 2 -2.740 7.190 6.022 10 HB VAL 2 HB VAL 2 -1.741 6.039 4.100 11 HG11 VAL 2 1HG1 VAL 2 -3.296 7.738 3.551 12 HG12 VAL 2 2HG1 VAL 2 -2.117 9.015 3.851 13 HG13 VAL 2 3HG1 VAL 2 -1.928 7.947 2.459 14 HG21 VAL 2 3HG2 VAL 2 0.500 6.195 3.980 15 HG22 VAL 2 1HG2 VAL 2 0.171 7.663 3.058 16 HG23 VAL 2 2HG2 VAL 2 0.536 7.766 4.780 17 H THR 3 H THR 3 -2.630 5.274 7.023 18 HA THR 3 HA THR 3 -0.009 4.431 8.079 19 HB THR 3 HB THR 3 -2.573 3.529 9.332 20 HG1 THR 3 1HG THR 3 -2.994 5.476 10.023 21 HG21 THR 3 3HG2 THR 3 -1.049 2.536 10.631 22 HG22 THR 3 1HG2 THR 3 -0.680 4.140 11.264 23 HG23 THR 3 2HG2 THR 3 0.267 3.479 9.931 24 H VAL 4 H VAL 4 0.706 2.434 7.619 25 HA VAL 4 HA VAL 4 -1.174 0.545 6.361 26 HB VAL 4 HB VAL 4 1.723 0.876 5.576 27 HG11 VAL 4 1HG1 VAL 4 0.813 -1.372 5.253 28 HG12 VAL 4 2HG1 VAL 4 -0.518 -0.699 4.310 29 HG13 VAL 4 3HG1 VAL 4 1.137 -0.580 3.711 30 HG21 VAL 4 3HG2 VAL 4 -0.550 2.446 4.845 31 HG22 VAL 4 1HG2 VAL 4 1.122 2.592 4.301 32 HG23 VAL 4 2HG2 VAL 4 0.003 1.537 3.439 33 H ARG 5 H ARG 5 -1.033 -1.564 6.974 34 HA ARG 5 HA ARG 5 0.949 -2.189 9.063 35 HB3 ARG 5 2HB ARG 5 -0.889 -4.038 9.551 36 HG3 ARG 5 2HG ARG 5 -2.164 -2.243 10.940 37 HD3 ARG 5 2HD ARG 5 -0.104 -2.061 12.464 38 HE ARG 5 HE ARG 5 -1.567 -4.439 11.807 39 HH11 ARG 5 1HH1 ARG 5 0.985 -3.117 13.773 40 HH12 ARG 5 2HH1 ARG 5 0.840 -4.328 15.005 41 HH21 ARG 5 1HH2 ARG 5 -1.766 -6.038 13.422 42 HH22 ARG 5 2HH2 ARG 5 -0.724 -5.989 14.804 43 H TYR 6 H TYR 6 1.716 -4.394 9.164 44 HA TYR 6 HA TYR 6 1.380 -5.990 6.742 45 HB3 TYR 6 2HB TYR 6 3.706 -6.158 6.271 46 HD1 TYR 6 2HD TYR 6 2.350 -4.743 4.563 47 HD2 TYR 6 1HD TYR 6 4.590 -3.072 7.771 48 HE1 TYR 6 2HE TYR 6 2.422 -2.587 3.382 49 HE2 TYR 6 1HE TYR 6 4.668 -0.911 6.600 50 HH TYR 6 HH TYR 6 4.503 -0.177 4.079 51 H TYR 7 H TYR 7 1.227 -8.092 7.190 52 HA TYR 7 HA TYR 7 1.558 -8.971 9.924 53 HB3 TYR 7 2HB TYR 7 0.866 -11.227 8.648 54 HD1 TYR 7 2HD TYR 7 -0.867 -7.916 8.858 55 HD2 TYR 7 1HD TYR 7 -0.859 -12.031 9.941 56 HE1 TYR 7 2HE TYR 7 -2.920 -7.570 10.167 57 HE2 TYR 7 1HE TYR 7 -2.913 -11.696 11.252 58 HH TYR 7 HH TYR 7 -4.148 -8.572 11.966 59 H ALA 8 H ALA 8 2.442 -11.398 10.023 60 HA ALA 8 HA ALA 8 5.192 -11.285 9.853 61 HB1 ALA 8 1HB ALA 8 5.054 -13.836 9.936 62 HB2 ALA 8 2HB ALA 8 4.295 -12.935 11.249 63 HB3 ALA 8 3HB ALA 8 3.304 -13.614 9.959 64 H THR 9 H THR 9 2.873 -12.237 7.417 65 HA THR 9 HA THR 9 4.544 -13.581 5.634 66 HB THR 9 HB THR 9 2.839 -12.297 3.937 67 HG1 THR 9 1HG THR 9 1.679 -11.133 5.373 68 HG21 THR 9 3HG2 THR 9 2.285 -14.436 3.662 69 HG22 THR 9 1HG2 THR 9 1.353 -14.387 5.158 70 HG23 THR 9 2HG2 THR 9 3.056 -14.841 5.195 71 H LEU 10 H LEU 10 4.133 -10.162 6.242 72 HA LEU 10 HA LEU 10 6.009 -9.546 4.063 73 HB3 LEU 10 2HB LEU 10 5.209 -7.131 4.703 74 HG LEU 10 HG LEU 10 4.668 -8.051 2.517 75 HD11 LEU 10 1HD1 LEU 10 3.792 -10.198 3.107 76 HD12 LEU 10 2HD1 LEU 10 2.542 -9.312 2.232 77 HD13 LEU 10 3HD1 LEU 10 2.450 -9.464 3.987 78 HD21 LEU 10 3HD2 LEU 10 3.630 -5.964 3.074 79 HD22 LEU 10 1HD2 LEU 10 2.347 -6.784 3.963 80 HD23 LEU 10 2HD2 LEU 10 2.453 -6.956 2.211 81 H ARG 11 H ARG 11 6.600 -10.579 6.825 82 HA ARG 11 HA ARG 11 7.727 -8.532 8.392 83 HB3 ARG 11 2HB ARG 11 8.142 -11.499 8.230 84 HG3 ARG 11 2HG ARG 11 9.309 -10.727 10.607 85 HD3 ARG 11 2HD ARG 11 11.342 -11.654 9.675 86 HE ARG 11 HE ARG 11 9.493 -13.382 8.321 87 HH11 ARG 11 1HH1 ARG 11 10.606 -12.267 11.426 88 HH12 ARG 11 2HH1 ARG 11 10.088 -13.689 12.268 89 HH21 ARG 11 1HH2 ARG 11 8.808 -15.260 9.418 90 HH22 ARG 11 2HH2 ARG 11 9.066 -15.392 11.125 91 HA PRO 12 HA PRO 12 11.920 -9.678 6.254 92 HB3 PRO 12 2HB PRO 12 11.915 -11.871 5.569 93 HG3 PRO 12 2HG PRO 12 9.960 -12.892 4.830 94 HD3 PRO 12 2HD PRO 12 9.209 -11.982 6.810 95 H ILE 13 H ILE 13 9.062 -8.609 4.777 96 HA ILE 13 HA ILE 13 10.486 -7.249 2.606 97 HB ILE 13 HB ILE 13 7.510 -7.231 3.081 98 HG13 ILE 13 2HG1 ILE 13 8.266 -9.559 2.896 99 HG21 ILE 13 1HG2 ILE 13 8.947 -6.952 0.465 100 HG22 ILE 13 2HG2 ILE 13 7.313 -6.446 0.895 101 HG23 ILE 13 3HG2 ILE 13 8.705 -5.568 1.530 102 HD11 ILE 13 3HD1 ILE 13 6.458 -8.337 1.064 103 HD12 ILE 13 1HD1 ILE 13 7.320 -9.642 0.250 104 HD13 ILE 13 2HD1 ILE 13 6.431 -9.967 1.739 105 H THR 14 H THR 14 8.745 -6.653 5.576 106 HA THR 14 HA THR 14 8.910 -3.759 5.185 107 HB THR 14 HB THR 14 6.787 -4.766 6.036 108 HG1 THR 14 1HG THR 14 7.850 -2.566 6.677 109 HG21 THR 14 3HG2 THR 14 6.675 -6.046 7.879 110 HG22 THR 14 1HG2 THR 14 7.800 -5.023 8.771 111 HG23 THR 14 2HG2 THR 14 8.413 -6.252 7.664 112 H LYS 15 H LYS 15 10.635 -6.282 6.628 113 HA LYS 15 HA LYS 15 12.487 -6.348 7.947 114 HB3 LYS 15 2HB LYS 15 12.698 -3.361 7.894 115 HG3 LYS 15 2HG LYS 15 14.787 -5.468 7.394 116 HD3 LYS 15 2HD LYS 15 14.792 -2.496 7.738 117 HE3 LYS 15 2HE LYS 15 17.232 -2.616 8.135 118 HZ1 LYS 15 3HZ LYS 15 16.601 -2.272 10.217 119 HZ2 LYS 15 1HZ LYS 15 16.664 -3.942 10.482 120 HZ3 LYS 15 2HZ LYS 15 15.207 -3.212 10.029 121 H LYS 16 H LYS 16 9.825 -6.010 9.098 122 HA LYS 16 HA LYS 16 8.812 -5.643 11.104 123 HB3 LYS 16 2HB LYS 16 10.080 -6.145 13.046 124 HG3 LYS 16 2HG LYS 16 11.426 -7.516 10.727 125 HD3 LYS 16 2HD LYS 16 11.507 -7.977 13.688 126 HE3 LYS 16 2HE LYS 16 11.464 -10.004 11.517 127 HZ1 LYS 16 3HZ LYS 16 12.736 -11.357 13.414 128 HZ2 LYS 16 1HZ LYS 16 13.507 -9.859 13.576 129 HZ3 LYS 16 2HZ LYS 16 13.523 -10.662 12.087 130 H LYS 17 H LYS 17 8.637 -3.395 9.942 131 HA LYS 17 HA LYS 17 8.940 -1.427 11.990 132 HB3 LYS 17 2HB LYS 17 10.384 -0.753 9.444 133 HG3 LYS 17 2HG LYS 17 11.726 0.574 11.265 134 HD3 LYS 17 2HD LYS 17 10.045 2.451 11.041 135 HE3 LYS 17 2HE LYS 17 10.779 0.977 8.512 136 HZ1 LYS 17 3HZ LYS 17 10.981 3.524 7.894 137 HZ2 LYS 17 1HZ LYS 17 9.753 3.655 9.050 138 HZ3 LYS 17 2HZ LYS 17 9.536 2.667 7.695 139 H GLU 18 H GLU 18 7.074 -0.382 11.896 140 HA GLU 18 HA GLU 18 5.879 0.127 9.250 141 HB3 GLU 18 2HB GLU 18 4.566 -0.407 11.914 142 HG3 GLU 18 2HG GLU 18 2.459 -0.345 10.350 143 H GLU 19 H GLU 19 5.050 2.149 8.807 144 HA GLU 19 HA GLU 19 5.018 4.210 10.831 145 HB3 GLU 19 2HB GLU 19 6.743 4.788 8.453 146 HG3 GLU 19 2HG GLU 19 6.683 5.825 11.276 147 H THR 20 H THR 20 4.226 6.292 9.953 148 HA THR 20 HA THR 20 2.298 5.786 7.801 149 HB THR 20 HB THR 20 1.183 7.876 8.637 150 HG1 THR 20 1HG THR 20 3.051 8.743 9.708 151 HG21 THR 20 3HG2 THR 20 -0.081 6.626 10.016 152 HG22 THR 20 1HG2 THR 20 1.284 6.218 11.054 153 HG23 THR 20 2HG2 THR 20 1.007 5.312 9.566 154 H PHE 21 H PHE 21 1.777 7.683 6.387 155 HA PHE 21 HA PHE 21 4.159 9.313 5.821 156 HB3 PHE 21 2HB PHE 21 3.232 8.998 3.331 157 HD1 PHE 21 2HD PHE 21 5.730 9.584 3.734 158 HD2 PHE 21 1HD PHE 21 4.107 5.664 4.071 159 HE1 PHE 21 2HE PHE 21 7.977 8.631 3.421 160 HE2 PHE 21 1HE PHE 21 6.351 4.705 3.759 161 HZ PHE 21 HZ PHE 21 8.289 6.189 3.435 162 H ASN 22 H ASN 22 3.788 11.384 5.080 163 HA ASN 22 HA ASN 22 0.974 12.235 4.924 164 HB3 ASN 22 2HB ASN 22 1.753 14.404 5.986 165 HD21 ASN 22 1HD2 ASN 22 1.289 14.713 8.163 166 HD22 ASN 22 2HD2 ASN 22 0.754 13.422 9.178 167 H GLY 23 H GLY 23 0.522 13.996 3.544 168 HA2 GLY 23 2HA GLY 23 1.892 15.750 2.171 169 HA3 GLY 23 3HA GLY 23 2.503 14.293 1.401 170 H ILE 24 H ILE 24 0.729 12.774 0.599 171 HA ILE 24 HA ILE 24 -1.364 14.403 -0.685 172 HB ILE 24 HB ILE 24 -0.060 11.877 -1.703 173 HG13 ILE 24 2HG1 ILE 24 0.912 13.300 -3.423 174 HG21 ILE 24 1HG2 ILE 24 -2.533 13.233 -2.413 175 HG22 ILE 24 2HG2 ILE 24 -1.443 13.033 -3.785 176 HG23 ILE 24 3HG2 ILE 24 -1.956 11.626 -2.854 177 HD11 ILE 24 3HD1 ILE 24 0.825 15.751 -3.233 178 HD12 ILE 24 1HD1 ILE 24 -0.732 15.036 -3.651 179 HD13 ILE 24 2HD1 ILE 24 -0.428 15.586 -2.003 180 H SER 25 H SER 25 -3.445 13.836 -0.447 181 HA SER 25 HA SER 25 -4.032 11.549 1.273 182 HB3 SER 25 2HB SER 25 -6.412 12.653 1.112 183 HG SER 25 HG SER 25 -4.699 14.364 2.443 184 H LYS 26 H LYS 26 -3.315 10.398 -0.897 185 HA LYS 26 HA LYS 26 -5.780 9.402 -2.068 186 HB3 LYS 26 2HB LYS 26 -3.574 10.123 -3.966 187 HG3 LYS 26 2HG LYS 26 -6.483 9.512 -4.183 188 HD3 LYS 26 2HD LYS 26 -6.173 10.311 -6.624 189 HE3 LYS 26 2HE LYS 26 -6.341 12.580 -4.684 190 HZ1 LYS 26 3HZ LYS 26 -6.864 13.199 -6.861 191 HZ2 LYS 26 1HZ LYS 26 -8.368 12.979 -6.120 192 HZ3 LYS 26 2HZ LYS 26 -7.755 11.793 -7.158 193 H ILE 27 H ILE 27 -5.547 7.345 -3.077 194 HA ILE 27 HA ILE 27 -3.606 5.684 -1.830 195 HB ILE 27 HB ILE 27 -5.580 5.106 -4.037 196 HG13 ILE 27 2HG1 ILE 27 -6.858 3.996 -2.294 197 HG21 ILE 27 1HG2 ILE 27 -5.125 2.712 -3.519 198 HG22 ILE 27 2HG2 ILE 27 -3.776 3.553 -4.280 199 HG23 ILE 27 3HG2 ILE 27 -3.750 3.235 -2.546 200 HD11 ILE 27 3HD1 ILE 27 -5.967 3.270 -0.412 201 HD12 ILE 27 1HD1 ILE 27 -4.426 4.015 -0.839 202 HD13 ILE 27 2HD1 ILE 27 -5.629 4.933 0.070 203 H SER 28 H SER 28 -3.778 7.327 -4.880 204 HA SER 28 HA SER 28 -1.987 5.807 -6.392 205 HB3 SER 28 2HB SER 28 -2.009 8.795 -6.625 206 HG SER 28 HG SER 28 -1.659 8.338 -8.686 207 H GLU 29 H GLU 29 -1.334 8.709 -4.423 208 HA GLU 29 HA GLU 29 1.501 8.465 -4.723 209 HB3 GLU 29 2HB GLU 29 1.464 10.203 -2.816 210 HG3 GLU 29 2HG GLU 29 0.087 11.827 -4.488 211 H LEU 30 H LEU 30 -0.847 7.580 -2.253 212 HA LEU 30 HA LEU 30 0.892 6.942 -0.173 213 HB3 LEU 30 2HB LEU 30 -1.828 5.999 -0.969 214 HG LEU 30 HG LEU 30 -1.055 4.009 0.102 215 HD11 LEU 30 1HD1 LEU 30 -0.292 4.555 2.649 216 HD12 LEU 30 2HD1 LEU 30 0.422 5.911 1.776 217 HD13 LEU 30 3HD1 LEU 30 0.817 4.256 1.311 218 HD21 LEU 30 3HD2 LEU 30 -2.454 5.583 2.250 219 HD22 LEU 30 1HD2 LEU 30 -2.573 3.857 1.903 220 HD23 LEU 30 2HD2 LEU 30 -3.267 5.031 0.784 221 H LEU 31 H LEU 31 -0.417 4.828 -2.722 222 HA LEU 31 HA LEU 31 1.087 2.553 -1.910 223 HB3 LEU 31 2HB LEU 31 0.474 1.752 -4.264 224 HG LEU 31 HG LEU 31 -1.855 2.599 -2.540 225 HD11 LEU 31 1HD1 LEU 31 -1.577 0.561 -4.740 226 HD12 LEU 31 2HD1 LEU 31 -2.625 1.979 -4.710 227 HD13 LEU 31 3HD1 LEU 31 -2.939 0.627 -3.622 228 HD21 LEU 31 3HD2 LEU 31 0.244 0.678 -2.105 229 HD22 LEU 31 1HD2 LEU 31 -1.320 -0.129 -2.235 230 HD23 LEU 31 2HD2 LEU 31 -1.084 1.150 -1.043 231 H GLU 32 H GLU 32 1.491 4.944 -4.504 232 HA GLU 32 HA GLU 32 3.723 3.893 -5.753 233 HB3 GLU 32 2HB GLU 32 4.251 6.509 -6.008 234 HG3 GLU 32 2HG GLU 32 2.084 4.908 -7.303 235 H ARG 33 H ARG 33 3.489 5.675 -2.749 236 HA ARG 33 HA ARG 33 6.329 6.045 -2.482 237 HB3 ARG 33 2HB ARG 33 4.382 6.235 -0.206 238 HG3 ARG 33 2HG ARG 33 6.958 7.543 -0.935 239 HD3 ARG 33 2HD ARG 33 6.467 9.169 0.938 240 HE ARG 33 HE ARG 33 5.864 9.483 -1.730 241 HH11 ARG 33 1HH1 ARG 33 4.710 10.767 1.293 242 HH12 ARG 33 2HH1 ARG 33 4.242 12.291 0.618 243 HH21 ARG 33 1HH2 ARG 33 5.253 11.487 -2.632 244 HH22 ARG 33 2HH2 ARG 33 4.551 12.700 -1.616 245 H LEU 34 H LEU 34 3.939 3.726 -1.399 246 HA LEU 34 HA LEU 34 5.630 2.424 0.496 247 HB3 LEU 34 2HB LEU 34 3.899 0.578 0.275 248 HG LEU 34 HG LEU 34 2.823 3.321 0.926 249 HD11 LEU 34 1HD1 LEU 34 1.724 0.745 1.969 250 HD12 LEU 34 2HD1 LEU 34 1.189 1.376 0.411 251 HD13 LEU 34 3HD1 LEU 34 0.963 2.333 1.875 252 HD21 LEU 34 3HD2 LEU 34 4.624 1.508 2.290 253 HD22 LEU 34 1HD2 LEU 34 3.185 1.855 3.248 254 HD23 LEU 34 2HD2 LEU 34 4.199 3.177 2.670 255 H LYS 35 H LYS 35 4.531 1.554 -2.778 256 HA LYS 35 HA LYS 35 5.905 -0.818 -3.092 257 HB3 LYS 35 2HB LYS 35 4.383 -0.259 -4.791 258 HG3 LYS 35 2HG LYS 35 5.311 2.386 -4.473 259 HD3 LYS 35 2HD LYS 35 6.748 1.610 -6.506 260 HE3 LYS 35 2HE LYS 35 4.699 0.595 -7.621 261 HZ1 LYS 35 3HZ LYS 35 4.166 3.430 -8.326 262 HZ2 LYS 35 1HZ LYS 35 3.234 2.526 -7.240 263 HZ3 LYS 35 2HZ LYS 35 3.314 2.072 -8.867 264 H VAL 36 H VAL 36 7.057 2.480 -3.705 265 HA VAL 36 HA VAL 36 9.658 1.626 -4.552 266 HB VAL 36 HB VAL 36 8.524 4.319 -3.826 267 HG11 VAL 36 1HG1 VAL 36 10.734 4.608 -3.159 268 HG12 VAL 36 2HG1 VAL 36 11.357 3.548 -4.425 269 HG13 VAL 36 3HG1 VAL 36 10.745 5.150 -4.835 270 HG21 VAL 36 3HG2 VAL 36 9.712 3.748 -6.466 271 HG22 VAL 36 1HG2 VAL 36 8.220 2.891 -6.082 272 HG23 VAL 36 2HG2 VAL 36 8.258 4.654 -6.047 273 H GLU 37 H GLU 37 8.226 2.739 -1.537 274 HA GLU 37 HA GLU 37 10.469 3.279 -0.030 275 HB3 GLU 37 2HB GLU 37 7.836 2.033 0.744 276 HG3 GLU 37 2HG GLU 37 9.973 3.048 2.604 277 H TYR 38 H TYR 38 8.869 0.127 -0.447 278 HA TYR 38 HA TYR 38 11.085 -1.206 0.888 279 HB3 TYR 38 2HB TYR 38 9.689 -3.262 0.538 280 HD1 TYR 38 2HD TYR 38 10.538 -1.569 2.801 281 HD2 TYR 38 1HD TYR 38 6.653 -2.316 1.234 282 HE1 TYR 38 2HE TYR 38 9.563 -1.092 5.009 283 HE2 TYR 38 1HE TYR 38 5.667 -1.838 3.437 284 HH TYR 38 HH TYR 38 6.927 -0.221 5.705 285 H GLY 39 H GLY 39 9.630 -0.944 -2.313 286 HA2 GLY 39 2HA GLY 39 11.313 -0.996 -4.153 287 HA3 GLY 39 3HA GLY 39 11.931 -2.453 -3.390 288 H SER 40 H SER 40 11.513 -3.075 -5.765 289 HA SER 40 HA SER 40 8.897 -3.481 -6.702 290 HB3 SER 40 2HB SER 40 9.997 -5.199 -8.215 291 HG SER 40 HG SER 40 9.906 -2.990 -8.802 292 H GLU 41 H GLU 41 10.953 -5.372 -4.601 293 HA GLU 41 HA GLU 41 9.757 -7.855 -4.699 294 HB3 GLU 41 2HB GLU 41 10.306 -7.698 -2.063 295 HG3 GLU 41 2HG GLU 41 12.598 -7.680 -3.988 296 H PHE 42 H PHE 42 8.802 -5.052 -2.740 297 HA PHE 42 HA PHE 42 6.551 -6.390 -1.584 298 HB3 PHE 42 2HB PHE 42 7.381 -3.487 -1.658 299 HD1 PHE 42 1HD PHE 42 5.212 -5.743 0.380 300 HD2 PHE 42 2HD PHE 42 5.716 -1.934 -1.449 301 HE1 PHE 42 1HE PHE 42 3.043 -5.023 1.292 302 HE2 PHE 42 2HE PHE 42 3.549 -1.206 -0.539 303 HZ PHE 42 HZ PHE 42 2.210 -2.751 0.833 304 H THR 43 H THR 43 6.964 -3.938 -4.117 305 HA THR 43 HA THR 43 4.317 -3.433 -4.722 306 HB THR 43 HB THR 43 6.215 -3.688 -7.006 307 HG1 THR 43 1HG THR 43 7.350 -1.858 -6.307 308 HG21 THR 43 3HG2 THR 43 4.103 -1.764 -6.089 309 HG22 THR 43 1HG2 THR 43 4.204 -2.665 -7.601 310 HG23 THR 43 2HG2 THR 43 5.280 -1.298 -7.315 311 H LYS 44 H LYS 44 6.405 -6.009 -5.989 312 HA LYS 44 HA LYS 44 4.365 -7.124 -7.654 313 HB3 LYS 44 2HB LYS 44 5.941 -8.959 -8.008 314 HG3 LYS 44 2HG LYS 44 8.099 -7.454 -8.382 315 HD3 LYS 44 2HD LYS 44 5.504 -7.472 -9.890 316 HE3 LYS 44 2HE LYS 44 6.987 -6.587 -11.803 317 HZ1 LYS 44 3HZ LYS 44 5.884 -4.685 -11.556 318 HZ2 LYS 44 1HZ LYS 44 6.619 -4.330 -10.074 319 HZ3 LYS 44 2HZ LYS 44 5.260 -5.335 -10.124 320 H GLN 45 H GLN 45 5.344 -7.518 -4.352 321 HA GLN 45 HA GLN 45 4.098 -10.053 -3.933 322 HB3 GLN 45 2HB GLN 45 4.815 -7.949 -1.885 323 HG3 GLN 45 2HG GLN 45 5.246 -10.047 -0.496 324 HE21 GLN 45 1HE2 GLN 45 4.055 -7.725 -0.074 325 HE22 GLN 45 2HE2 GLN 45 2.442 -7.931 0.508 326 H MET 46 H MET 46 3.137 -6.688 -3.439 327 HA MET 46 HA MET 46 0.478 -7.576 -2.581 328 HB3 MET 46 2HB MET 46 1.594 -5.902 -1.174 329 HG3 MET 46 2HG MET 46 1.968 -4.524 -3.729 330 HE1 MET 46 3HE MET 46 -0.210 -3.574 -4.101 331 HE2 MET 46 1HE MET 46 -0.784 -2.037 -3.454 332 HE3 MET 46 2HE MET 46 0.646 -2.080 -4.486 333 H TYR 47 H TYR 47 1.930 -7.103 -5.402 334 HA TYR 47 HA TYR 47 -0.446 -6.788 -6.875 335 HB3 TYR 47 2HB TYR 47 1.262 -4.394 -7.348 336 HD1 TYR 47 2HD TYR 47 -2.251 -5.484 -6.647 337 HD2 TYR 47 1HD TYR 47 0.373 -3.214 -9.109 338 HE1 TYR 47 2HE TYR 47 -4.156 -4.819 -8.054 339 HE2 TYR 47 1HE TYR 47 -1.525 -2.542 -10.522 340 HH TYR 47 HH TYR 47 -4.840 -3.476 -9.711 341 H ASP 48 H ASP 48 0.433 -8.578 -7.925 342 HA ASP 48 HA ASP 48 2.975 -8.315 -9.304 343 HB3 ASP 48 2HB ASP 48 0.996 -10.565 -8.995 344 H GLY 49 H GLY 49 2.578 -6.720 -10.848 345 HA2 GLY 49 2HA GLY 49 2.229 -6.271 -13.118 346 HA3 GLY 49 3HA GLY 49 1.199 -7.691 -13.218 347 H ASN 50 H ASN 50 -0.991 -7.513 -12.796 348 HA ASN 50 HA ASN 50 -1.985 -4.764 -12.431 349 HB3 ASN 50 2HB ASN 50 -3.910 -5.396 -13.864 350 HD21 ASN 50 1HD2 ASN 50 -0.952 -6.901 -15.075 351 HD22 ASN 50 2HD2 ASN 50 -0.624 -5.701 -16.275 352 H ASN 51 H ASN 51 -1.839 -7.821 -11.129 353 HA ASN 51 HA ASN 51 -3.878 -7.179 -9.180 354 HB3 ASN 51 2HB ASN 51 -4.962 -8.463 -11.149 355 HD21 ASN 51 1HD2 ASN 51 -4.950 -11.082 -9.078 356 HD22 ASN 51 2HD2 ASN 51 -4.044 -12.183 -10.053 357 H LEU 52 H LEU 52 -3.888 -8.758 -7.368 358 HA LEU 52 HA LEU 52 -1.387 -9.158 -6.298 359 HB3 LEU 52 2HB LEU 52 -2.436 -10.635 -4.682 360 HG LEU 52 HG LEU 52 -3.808 -9.168 -3.649 361 HD11 LEU 52 1HD1 LEU 52 -3.143 -7.286 -5.885 362 HD12 LEU 52 2HD1 LEU 52 -1.896 -7.908 -4.805 363 HD13 LEU 52 3HD1 LEU 52 -3.237 -6.966 -4.153 364 HD21 LEU 52 3HD2 LEU 52 -5.333 -9.457 -6.065 365 HD22 LEU 52 1HD2 LEU 52 -5.311 -7.769 -5.554 366 HD23 LEU 52 2HD2 LEU 52 -5.874 -9.019 -4.445 367 H PHE 53 H PHE 53 -0.127 -11.057 -5.900 368 HA PHE 53 HA PHE 53 0.111 -12.723 -8.230 369 HB3 PHE 53 2HB PHE 53 1.629 -12.665 -5.617 370 HD1 PHE 53 1HD PHE 53 1.808 -13.972 -9.110 371 HD2 PHE 53 2HD PHE 53 2.944 -14.445 -5.036 372 HE1 PHE 53 1HE PHE 53 2.958 -16.071 -9.678 373 HE2 PHE 53 2HE PHE 53 4.097 -16.545 -5.597 374 HZ PHE 53 HZ PHE 53 4.104 -17.360 -7.920 375 H LYS 54 H LYS 54 -0.131 -13.561 -4.771 376 HA LYS 54 HA LYS 54 -1.198 -16.171 -5.465 377 HB3 LYS 54 2HB LYS 54 -0.570 -14.925 -2.781 378 HG3 LYS 54 2HG LYS 54 -2.265 -16.795 -2.723 379 HD3 LYS 54 2HD LYS 54 -0.487 -18.962 -2.839 380 HE3 LYS 54 2HE LYS 54 -2.286 -18.526 -5.134 381 HZ1 LYS 54 3HZ LYS 54 -1.298 -20.667 -3.671 382 HZ2 LYS 54 1HZ LYS 54 -2.360 -20.720 -4.987 383 HZ3 LYS 54 2HZ LYS 54 -2.969 -20.648 -3.410 384 H ASN 55 H ASN 55 -2.221 -13.466 -3.372 385 HA ASN 55 HA ASN 55 -4.754 -13.088 -4.231 386 HB3 ASN 55 2HB ASN 55 -5.747 -14.653 -2.159 387 HD21 ASN 55 1HD2 ASN 55 -6.885 -13.309 -4.123 388 HD22 ASN 55 2HD2 ASN 55 -7.603 -14.363 -5.288 389 H VAL 56 H VAL 56 -2.929 -11.516 -3.038 390 HA VAL 56 HA VAL 56 -3.240 -11.163 -0.250 391 HB VAL 56 HB VAL 56 -2.514 -8.972 -2.186 392 HG11 VAL 56 1HG1 VAL 56 -2.792 -8.201 0.059 393 HG12 VAL 56 2HG1 VAL 56 -1.824 -9.532 0.693 394 HG13 VAL 56 3HG1 VAL 56 -1.063 -8.272 -0.279 395 HG21 VAL 56 3HG2 VAL 56 -0.976 -11.388 -1.370 396 HG22 VAL 56 1HG2 VAL 56 -1.019 -10.546 -2.920 397 HG23 VAL 56 2HG2 VAL 56 -0.114 -9.862 -1.568 398 H ILE 57 H ILE 57 -4.585 -9.887 0.940 399 HA ILE 57 HA ILE 57 -6.720 -8.474 -0.518 400 HB ILE 57 HB ILE 57 -7.017 -10.020 2.060 401 HG13 ILE 57 2HG1 ILE 57 -6.956 -11.020 -0.494 402 HG21 ILE 57 1HG2 ILE 57 -9.526 -9.396 1.025 403 HG22 ILE 57 2HG2 ILE 57 -8.756 -8.692 2.447 404 HG23 ILE 57 3HG2 ILE 57 -8.587 -7.911 0.875 405 HD11 ILE 57 3HD1 ILE 57 -7.360 -12.978 0.483 406 HD12 ILE 57 1HD1 ILE 57 -7.386 -12.064 1.990 407 HD13 ILE 57 2HD1 ILE 57 -8.896 -12.433 1.155 408 H ILE 58 H ILE 58 -6.344 -6.370 -0.245 409 HA ILE 58 HA ILE 58 -5.710 -5.418 2.472 410 HB ILE 58 HB ILE 58 -3.757 -4.904 1.336 411 HG13 ILE 58 2HG1 ILE 58 -4.900 -2.889 2.352 412 HG21 ILE 58 1HG2 ILE 58 -5.526 -4.516 -1.040 413 HG22 ILE 58 2HG2 ILE 58 -3.916 -3.798 -1.009 414 HG23 ILE 58 3HG2 ILE 58 -4.106 -5.544 -0.855 415 HD11 ILE 58 3HD1 ILE 58 -2.841 -2.113 2.003 416 HD12 ILE 58 1HD1 ILE 58 -2.740 -2.825 0.392 417 HD13 ILE 58 2HD1 ILE 58 -3.553 -1.277 0.623 418 H LEU 59 H LEU 59 -6.937 -3.807 3.288 419 HA LEU 59 HA LEU 59 -9.038 -2.710 1.539 420 HB3 LEU 59 2HB LEU 59 -10.225 -2.326 3.789 421 HG LEU 59 HG LEU 59 -9.874 -5.109 2.701 422 HD11 LEU 59 1HD1 LEU 59 -11.306 -5.995 4.224 423 HD12 LEU 59 2HD1 LEU 59 -12.123 -4.461 4.518 424 HD13 LEU 59 3HD1 LEU 59 -10.548 -4.774 5.245 425 HD21 LEU 59 3HD2 LEU 59 -11.013 -3.557 1.232 426 HD22 LEU 59 1HD2 LEU 59 -12.100 -3.081 2.538 427 HD23 LEU 59 2HD2 LEU 59 -12.166 -4.719 1.888 428 H VAL 60 H VAL 60 -9.800 -0.534 2.086 429 HA VAL 60 HA VAL 60 -7.827 1.120 3.493 430 HB VAL 60 HB VAL 60 -8.939 1.849 0.782 431 HG11 VAL 60 1HG1 VAL 60 -6.575 3.245 1.751 432 HG12 VAL 60 2HG1 VAL 60 -8.070 3.888 1.068 433 HG13 VAL 60 3HG1 VAL 60 -7.986 3.480 2.783 434 HG21 VAL 60 3HG2 VAL 60 -6.140 0.971 1.487 435 HG22 VAL 60 1HG2 VAL 60 -7.338 -0.029 0.665 436 HG23 VAL 60 2HG2 VAL 60 -6.729 1.435 -0.109 437 H ASN 61 H ASN 61 -8.853 2.246 4.998 438 HA ASN 61 HA ASN 61 -10.428 3.457 6.106 439 HB3 ASN 61 2HB ASN 61 -11.620 3.982 3.377 440 HD21 ASN 61 1HD2 ASN 61 -10.968 5.256 6.618 441 HD22 ASN 61 2HD2 ASN 61 -12.407 6.208 6.719 442 H GLY 62 H GLY 62 -10.836 0.707 5.951 443 HA2 GLY 62 2HA GLY 62 -12.438 -0.911 6.251 444 HA3 GLY 62 3HA GLY 62 -13.423 0.404 6.875 445 H ASN 63 H ASN 63 -12.221 0.018 3.575 446 HA ASN 63 HA ASN 63 -14.564 -1.077 2.469 447 HB3 ASN 63 2HB ASN 63 -14.445 1.782 1.664 448 HD21 ASN 63 1HD2 ASN 63 -15.388 0.662 -0.176 449 HD22 ASN 63 2HD2 ASN 63 -17.070 0.272 -0.145 450 H ASN 64 H ASN 64 -13.756 -2.087 0.763 451 HA ASN 64 HA ASN 64 -11.289 -1.663 -0.392 452 HB3 ASN 64 2HB ASN 64 -13.706 -2.781 -1.826 453 HD21 ASN 64 1HD2 ASN 64 -12.594 -5.066 -2.666 454 HD22 ASN 64 2HD2 ASN 64 -11.289 -4.754 -3.754 455 H ILE 65 H ILE 65 -10.468 -0.226 -1.771 456 HA ILE 65 HA ILE 65 -11.788 2.096 -2.530 457 HB ILE 65 HB ILE 65 -9.933 2.532 -4.042 458 HG13 ILE 65 2HG1 ILE 65 -9.733 0.321 -5.063 459 HG21 ILE 65 1HG2 ILE 65 -8.350 1.282 -1.955 460 HG22 ILE 65 2HG2 ILE 65 -8.594 2.989 -2.321 461 HG23 ILE 65 3HG2 ILE 65 -9.759 2.129 -1.317 462 HD11 ILE 65 3HD1 ILE 65 -7.499 1.832 -4.192 463 HD12 ILE 65 1HD1 ILE 65 -7.094 0.121 -4.073 464 HD13 ILE 65 2HD1 ILE 65 -7.648 0.792 -5.607 465 H THR 66 H THR 66 -11.644 -1.012 -4.094 466 HA THR 66 HA THR 66 -12.384 -0.306 -6.694 467 HB THR 66 HB THR 66 -13.159 -2.596 -6.968 468 HG1 THR 66 1HG THR 66 -13.638 -3.869 -5.276 469 HG21 THR 66 3HG2 THR 66 -10.980 -3.047 -7.118 470 HG22 THR 66 1HG2 THR 66 -11.025 -3.532 -5.424 471 HG23 THR 66 2HG2 THR 66 -10.595 -1.877 -5.856 472 H SER 67 H SER 67 -14.245 -0.487 -3.769 473 HA SER 67 HA SER 67 -16.816 -0.854 -4.660 474 HB3 SER 67 2HB SER 67 -15.789 0.989 -2.493 475 HG SER 67 HG SER 67 -17.768 1.593 -2.197 476 H MET 68 H MET 68 -14.950 2.161 -4.630 477 HA MET 68 HA MET 68 -16.967 3.324 -6.436 478 HB3 MET 68 2HB MET 68 -17.214 4.860 -4.808 479 HG3 MET 68 2HG MET 68 -14.487 4.186 -3.729 480 HE1 MET 68 3HE MET 68 -17.124 5.732 -0.595 481 HE2 MET 68 1HE MET 68 -18.037 5.927 -2.092 482 HE3 MET 68 2HE MET 68 -17.367 4.352 -1.666 483 H LYS 69 H LYS 69 -13.697 4.320 -5.462 484 HA LYS 69 HA LYS 69 -12.896 4.161 -8.293 485 HB3 LYS 69 2HB LYS 69 -11.319 6.122 -7.593 486 HG3 LYS 69 2HG LYS 69 -14.245 6.367 -8.169 487 HD3 LYS 69 2HD LYS 69 -12.356 8.704 -8.157 488 HE3 LYS 69 2HE LYS 69 -15.363 8.615 -8.027 489 HZ1 LYS 69 3HZ LYS 69 -14.585 10.707 -7.361 490 HZ2 LYS 69 1HZ LYS 69 -15.006 10.904 -8.988 491 HZ3 LYS 69 2HZ LYS 69 -13.380 10.748 -8.548 492 H GLY 70 H GLY 70 -11.081 3.053 -8.708 493 HA2 GLY 70 2HA GLY 70 -9.829 1.476 -6.771 494 HA3 GLY 70 3HA GLY 70 -9.184 1.809 -8.371 495 H LEU 71 H LEU 71 -7.538 3.254 -8.610 496 HA LEU 71 HA LEU 71 -6.078 3.948 -6.240 497 HB3 LEU 71 2HB LEU 71 -5.365 5.058 -8.907 498 HG LEU 71 HG LEU 71 -3.856 5.201 -6.824 499 HD11 LEU 71 1HD1 LEU 71 -4.173 2.804 -6.220 500 HD12 LEU 71 2HD1 LEU 71 -2.487 3.303 -6.349 501 HD13 LEU 71 3HD1 LEU 71 -3.231 2.373 -7.648 502 HD21 LEU 71 3HD2 LEU 71 -1.851 4.927 -8.202 503 HD22 LEU 71 1HD2 LEU 71 -3.128 5.776 -9.075 504 HD23 LEU 71 2HD2 LEU 71 -2.805 4.076 -9.419 505 H ASP 72 H ASP 72 -8.474 5.463 -8.112 506 HA ASP 72 HA ASP 72 -7.689 8.179 -7.621 507 HB3 ASP 72 2HB ASP 72 -10.337 8.353 -8.202 508 H THR 73 H THR 73 -9.016 5.772 -5.704 509 HA THR 73 HA THR 73 -10.885 7.156 -4.137 510 HB THR 73 HB THR 73 -9.403 4.647 -3.928 511 HG1 THR 73 1HG THR 73 -11.979 5.653 -3.401 512 HG21 THR 73 3HG2 THR 73 -10.100 6.166 -1.416 513 HG22 THR 73 1HG2 THR 73 -8.518 5.552 -1.891 514 HG23 THR 73 2HG2 THR 73 -9.809 4.428 -1.466 515 H GLU 74 H GLU 74 -10.695 8.677 -2.621 516 HA GLU 74 HA GLU 74 -8.082 9.731 -1.995 517 HB3 GLU 74 2HB GLU 74 -10.137 11.138 -2.438 518 HG3 GLU 74 2HG GLU 74 -10.819 10.388 0.396 519 H ILE 75 H ILE 75 -7.509 10.270 0.281 520 HA ILE 75 HA ILE 75 -8.610 8.502 2.310 521 HB ILE 75 HB ILE 75 -6.249 7.779 2.947 522 HG13 ILE 75 2HG1 ILE 75 -5.048 9.355 1.493 523 HG21 ILE 75 1HG2 ILE 75 -7.121 6.621 0.325 524 HG22 ILE 75 2HG2 ILE 75 -6.444 5.802 1.731 525 HG23 ILE 75 3HG2 ILE 75 -8.095 6.422 1.782 526 HD11 ILE 75 3HD1 ILE 75 -4.257 6.837 1.936 527 HD12 ILE 75 1HD1 ILE 75 -4.325 6.826 0.173 528 HD13 ILE 75 2HD1 ILE 75 -3.316 8.006 1.009 529 H LYS 76 H LYS 76 -8.787 9.589 4.149 530 HA LYS 76 HA LYS 76 -7.286 12.076 4.477 531 HB3 LYS 76 2HB LYS 76 -8.883 12.582 6.259 532 HG3 LYS 76 2HG LYS 76 -10.684 11.480 4.172 533 HD3 LYS 76 2HD LYS 76 -11.122 13.192 6.157 534 HE3 LYS 76 2HE LYS 76 -9.365 14.749 5.231 535 HZ1 LYS 76 3HZ LYS 76 -10.961 14.496 2.918 536 HZ2 LYS 76 1HZ LYS 76 -9.493 15.315 3.110 537 HZ3 LYS 76 2HZ LYS 76 -10.953 16.112 3.416 538 H ASP 77 H ASP 77 -6.766 12.567 6.893 539 HA ASP 77 HA ASP 77 -4.711 10.843 7.693 540 HB3 ASP 77 2HB ASP 77 -4.786 13.226 8.298 541 H ASP 78 H ASP 78 -8.094 10.787 8.337 542 HA ASP 78 HA ASP 78 -7.924 9.146 10.695 543 HB3 ASP 78 2HB ASP 78 -10.400 8.911 10.369 544 H ASP 79 H ASP 79 -8.391 8.640 7.251 545 HA ASP 79 HA ASP 79 -9.276 6.028 7.194 546 HB3 ASP 79 2HB ASP 79 -7.966 5.876 5.009 547 H LYS 80 H LYS 80 -8.087 4.035 6.714 548 HA LYS 80 HA LYS 80 -5.331 3.921 7.643 549 HB3 LYS 80 2HB LYS 80 -6.617 3.651 9.701 550 HG3 LYS 80 2HG LYS 80 -7.905 1.294 8.337 551 HD3 LYS 80 2HD LYS 80 -7.643 2.116 11.179 552 HE3 LYS 80 2HE LYS 80 -9.750 0.928 11.722 553 HZ1 LYS 80 3HZ LYS 80 -10.366 3.052 11.890 554 HZ2 LYS 80 1HZ LYS 80 -11.147 2.827 10.406 555 HZ3 LYS 80 2HZ LYS 80 -9.599 3.506 10.452 556 H ILE 81 H ILE 81 -4.173 2.312 6.702 557 HA ILE 81 HA ILE 81 -5.651 0.508 4.901 558 HB ILE 81 HB ILE 81 -2.809 1.494 4.623 559 HG13 ILE 81 2HG1 ILE 81 -5.421 2.404 3.499 560 HG21 ILE 81 1HG2 ILE 81 -2.603 -0.380 3.411 561 HG22 ILE 81 2HG2 ILE 81 -4.346 -0.623 3.309 562 HG23 ILE 81 3HG2 ILE 81 -3.545 0.490 2.201 563 HD11 ILE 81 3HD1 ILE 81 -2.882 3.753 4.347 564 HD12 ILE 81 1HD1 ILE 81 -4.141 4.584 3.433 565 HD13 ILE 81 2HD1 ILE 81 -4.500 3.922 5.029 566 H ASP 82 H ASP 82 -5.219 -1.654 4.913 567 HA ASP 82 HA ASP 82 -3.097 -2.643 6.677 568 HB3 ASP 82 2HB ASP 82 -4.636 -4.313 7.647 569 H LEU 83 H LEU 83 -2.004 -4.328 5.859 570 HA LEU 83 HA LEU 83 -2.962 -5.455 3.327 571 HB3 LEU 83 2HB LEU 83 -0.212 -5.677 4.534 572 HG LEU 83 HG LEU 83 0.506 -5.850 2.120 573 HD11 LEU 83 1HD1 LEU 83 -1.202 -8.195 2.805 574 HD12 LEU 83 2HD1 LEU 83 0.124 -7.748 3.877 575 HD13 LEU 83 3HD1 LEU 83 0.451 -8.143 2.189 576 HD21 LEU 83 3HD2 LEU 83 -2.335 -6.684 1.613 577 HD22 LEU 83 1HD2 LEU 83 -1.039 -6.418 0.446 578 HD23 LEU 83 2HD2 LEU 83 -1.763 -5.046 1.287 579 H PHE 84 H PHE 84 -3.787 -7.431 3.298 580 HA PHE 84 HA PHE 84 -3.070 -9.283 5.475 581 HB3 PHE 84 2HB PHE 84 -5.513 -10.008 4.113 582 HD1 PHE 84 1HD PHE 84 -5.221 -7.900 7.133 583 HD2 PHE 84 2HD PHE 84 -5.675 -11.837 5.582 584 HE1 PHE 84 1HE PHE 84 -5.720 -8.730 9.394 585 HE2 PHE 84 2HE PHE 84 -6.177 -12.673 7.841 586 HZ PHE 84 HZ PHE 84 -6.197 -11.119 9.751 587 HA PRO 85 HA PRO 85 -1.347 -11.885 2.352 588 HB3 PRO 85 2HB PRO 85 -0.089 -12.805 4.041 589 HG3 PRO 85 2HG PRO 85 -0.937 -13.000 6.197 590 HD3 PRO 85 2HD PRO 85 -1.421 -10.785 5.781 591 HA PRO 86 HA PRO 86 -4.555 -14.239 0.480 592 HB3 PRO 86 2HB PRO 86 -3.092 -14.698 -1.231 593 HG3 PRO 86 2HG PRO 86 -0.843 -15.111 -0.807 594 HD3 PRO 86 2HD PRO 86 -1.120 -13.161 0.389 595 H VAL 87 H VAL 87 -5.918 -16.007 0.753 596 HA VAL 87 HA VAL 87 -6.043 -17.197 3.262 597 HB VAL 87 HB VAL 87 -7.693 -18.757 2.285 598 HG11 VAL 87 1HG1 VAL 87 -7.808 -15.917 2.352 599 HG12 VAL 87 2HG1 VAL 87 -8.758 -16.482 0.975 600 HG13 VAL 87 3HG1 VAL 87 -9.111 -17.079 2.596 601 HG21 VAL 87 3HG2 VAL 87 -8.262 -18.598 -0.087 602 HG22 VAL 87 1HG2 VAL 87 -6.932 -17.466 -0.333 603 HG23 VAL 87 2HG2 VAL 87 -6.596 -19.133 0.133 604 H ALA 88 H ALA 88 -4.388 -18.220 0.367 605 HA ALA 88 HA ALA 88 -3.622 -20.740 1.677 606 HB1 ALA 88 1HB ALA 88 -3.559 -19.935 -1.225 607 HB2 ALA 88 2HB ALA 88 -2.892 -21.444 -0.600 608 HB3 ALA 88 3HB ALA 88 -4.620 -21.119 -0.463 609 H GLY 89 H GLY 89 -2.400 -18.461 2.643 610 HA2 GLY 89 2HA GLY 89 -0.054 -17.611 1.444 611 HA3 GLY 89 3HA GLY 89 -0.301 -17.700 3.181 612 H GLY 90 H GLY 90 0.234 -19.698 4.273 613 HA2 GLY 90 2HA GLY 90 1.916 -21.557 2.763 614 HA3 GLY 90 3HA GLY 90 2.665 -20.680 4.090 Start of MODEL 8 1 H1 MET 1 H MET 1 -3.206 12.501 8.230 2 HA MET 1 HA MET 1 -1.029 10.924 7.509 3 HB3 MET 1 2HB MET 1 -2.734 10.629 9.988 4 HG3 MET 1 2HG MET 1 -0.750 8.983 9.347 5 HE1 MET 1 3HE MET 1 1.050 11.295 12.368 6 HE2 MET 1 1HE MET 1 1.234 12.611 11.209 7 HE3 MET 1 2HE MET 1 -0.367 11.951 11.546 8 H VAL 2 H VAL 2 -0.781 8.871 6.854 9 HA VAL 2 HA VAL 2 -3.172 7.147 6.812 10 HB VAL 2 HB VAL 2 -2.315 6.119 4.758 11 HG11 VAL 2 1HG1 VAL 2 -2.319 8.551 3.483 12 HG12 VAL 2 2HG1 VAL 2 -3.750 7.618 3.926 13 HG13 VAL 2 3HG1 VAL 2 -3.165 8.897 4.990 14 HG21 VAL 2 3HG2 VAL 2 -0.484 7.768 3.657 15 HG22 VAL 2 1HG2 VAL 2 -0.007 7.848 5.352 16 HG23 VAL 2 2HG2 VAL 2 -0.076 6.290 4.530 17 H THR 3 H THR 3 -2.993 5.195 7.721 18 HA THR 3 HA THR 3 -0.329 4.353 8.640 19 HB THR 3 HB THR 3 -2.903 3.215 9.691 20 HG1 THR 3 1HG THR 3 -3.310 5.034 10.678 21 HG21 THR 3 3HG2 THR 3 -1.417 3.087 11.769 22 HG22 THR 3 1HG2 THR 3 -0.076 3.459 10.686 23 HG23 THR 3 2HG2 THR 3 -1.033 1.998 10.436 24 H VAL 4 H VAL 4 0.532 2.467 7.991 25 HA VAL 4 HA VAL 4 -1.143 0.711 6.317 26 HB VAL 4 HB VAL 4 1.041 0.015 5.244 27 HG11 VAL 4 1HG1 VAL 4 0.400 1.353 3.590 28 HG12 VAL 4 2HG1 VAL 4 -0.662 2.181 4.731 29 HG13 VAL 4 3HG1 VAL 4 0.976 2.776 4.457 30 HG21 VAL 4 3HG2 VAL 4 2.567 0.841 6.940 31 HG22 VAL 4 1HG2 VAL 4 2.899 1.624 5.395 32 HG23 VAL 4 2HG2 VAL 4 2.025 2.495 6.655 33 H ARG 5 H ARG 5 -1.091 -1.469 6.666 34 HA ARG 5 HA ARG 5 0.460 -2.372 9.003 35 HB3 ARG 5 2HB ARG 5 -1.982 -3.804 8.023 36 HG3 ARG 5 2HG ARG 5 -0.820 -3.387 10.769 37 HD3 ARG 5 2HD ARG 5 -2.491 -5.281 11.265 38 HE ARG 5 HE ARG 5 -2.881 -2.515 11.398 39 HH11 ARG 5 1HH1 ARG 5 -4.742 -5.456 11.374 40 HH12 ARG 5 2HH1 ARG 5 -6.041 -4.796 12.311 41 HH21 ARG 5 1HH2 ARG 5 -4.585 -1.634 12.632 42 HH22 ARG 5 2HH2 ARG 5 -5.952 -2.622 13.025 43 H TYR 6 H TYR 6 1.559 -4.314 8.906 44 HA TYR 6 HA TYR 6 1.502 -5.816 6.400 45 HB3 TYR 6 2HB TYR 6 3.894 -5.757 6.125 46 HD1 TYR 6 2HD TYR 6 2.298 -4.540 4.365 47 HD2 TYR 6 1HD TYR 6 4.430 -2.589 7.488 48 HE1 TYR 6 2HE TYR 6 2.172 -2.421 3.121 49 HE2 TYR 6 1HE TYR 6 4.307 -0.465 6.253 50 HH TYR 6 HH TYR 6 2.253 0.034 3.655 51 H TYR 7 H TYR 7 1.620 -7.953 6.709 52 HA TYR 7 HA TYR 7 2.092 -8.910 9.434 53 HB3 TYR 7 2HB TYR 7 1.278 -11.029 7.725 54 HD1 TYR 7 2HD TYR 7 -0.259 -8.310 9.786 55 HD2 TYR 7 1HD TYR 7 0.160 -12.489 9.112 56 HE1 TYR 7 2HE TYR 7 -1.653 -8.762 11.761 57 HE2 TYR 7 1HE TYR 7 -1.233 -12.954 11.084 58 HH TYR 7 HH TYR 7 -1.754 -11.464 13.361 59 H ALA 8 H ALA 8 2.841 -11.467 9.104 60 HA ALA 8 HA ALA 8 5.577 -11.397 8.815 61 HB1 ALA 8 1HB ALA 8 3.542 -13.503 8.961 62 HB2 ALA 8 2HB ALA 8 5.048 -13.987 8.180 63 HB3 ALA 8 3HB ALA 8 5.074 -13.339 9.820 64 H THR 9 H THR 9 3.131 -11.800 6.356 65 HA THR 9 HA THR 9 4.692 -12.843 4.284 66 HB THR 9 HB THR 9 3.007 -11.529 2.796 67 HG1 THR 9 1HG THR 9 1.182 -10.816 3.932 68 HG21 THR 9 3HG2 THR 9 1.691 -13.377 2.825 69 HG22 THR 9 1HG2 THR 9 1.513 -13.356 4.578 70 HG23 THR 9 2HG2 THR 9 2.982 -14.003 3.849 71 H LEU 10 H LEU 10 4.073 -9.480 5.226 72 HA LEU 10 HA LEU 10 6.142 -8.620 3.319 73 HB3 LEU 10 2HB LEU 10 5.179 -6.336 3.703 74 HG LEU 10 HG LEU 10 3.298 -6.491 2.288 75 HD11 LEU 10 1HD1 LEU 10 5.437 -7.132 1.260 76 HD12 LEU 10 2HD1 LEU 10 4.062 -7.930 0.498 77 HD13 LEU 10 3HD1 LEU 10 5.089 -8.823 1.620 78 HD21 LEU 10 3HD2 LEU 10 2.168 -8.243 3.729 79 HD22 LEU 10 1HD2 LEU 10 3.089 -9.444 2.822 80 HD23 LEU 10 2HD2 LEU 10 1.941 -8.398 1.986 81 H ARG 11 H ARG 11 6.308 -9.719 6.193 82 HA ARG 11 HA ARG 11 7.196 -7.679 7.900 83 HB3 ARG 11 2HB ARG 11 7.441 -10.630 7.798 84 HG3 ARG 11 2HG ARG 11 9.287 -8.914 9.428 85 HD3 ARG 11 2HD ARG 11 9.814 -10.904 10.734 86 HE ARG 11 HE ARG 11 7.341 -9.577 11.006 87 HH11 ARG 11 1HH1 ARG 11 9.032 -12.419 12.095 88 HH12 ARG 11 2HH1 ARG 11 8.178 -12.511 13.598 89 HH21 ARG 11 1HH2 ARG 11 6.209 -9.687 12.983 90 HH22 ARG 11 2HH2 ARG 11 6.571 -10.957 14.103 91 HA PRO 12 HA PRO 12 11.684 -8.724 6.444 92 HB3 PRO 12 2HB PRO 12 11.867 -10.949 5.901 93 HG3 PRO 12 2HG PRO 12 10.092 -12.096 4.933 94 HD3 PRO 12 2HD PRO 12 9.005 -11.116 6.714 95 H ILE 13 H ILE 13 9.057 -7.864 4.486 96 HA ILE 13 HA ILE 13 10.752 -6.559 2.482 97 HB ILE 13 HB ILE 13 7.744 -6.600 2.465 98 HG13 ILE 13 2HG1 ILE 13 8.464 -8.919 2.639 99 HG21 ILE 13 1HG2 ILE 13 9.057 -5.052 0.974 100 HG22 ILE 13 2HG2 ILE 13 9.686 -6.489 0.169 101 HG23 ILE 13 3HG2 ILE 13 7.955 -6.151 0.145 102 HD11 ILE 13 3HD1 ILE 13 7.059 -7.918 0.408 103 HD12 ILE 13 1HD1 ILE 13 8.118 -9.207 -0.164 104 HD13 ILE 13 2HD1 ILE 13 6.967 -9.523 1.135 105 H THR 14 H THR 14 8.799 -5.900 5.243 106 HA THR 14 HA THR 14 8.816 -3.020 4.661 107 HB THR 14 HB THR 14 6.640 -4.110 5.292 108 HG1 THR 14 1HG THR 14 7.523 -2.160 7.171 109 HG21 THR 14 3HG2 THR 14 8.138 -5.303 7.281 110 HG22 THR 14 1HG2 THR 14 6.378 -5.281 7.183 111 HG23 THR 14 2HG2 THR 14 7.223 -4.067 8.144 112 H LYS 15 H LYS 15 10.889 -5.056 5.933 113 HA LYS 15 HA LYS 15 12.618 -4.904 7.401 114 HB3 LYS 15 2HB LYS 15 11.946 -2.039 7.959 115 HG3 LYS 15 2HG LYS 15 14.515 -3.532 7.492 116 HD3 LYS 15 2HD LYS 15 14.136 -0.591 8.051 117 HE3 LYS 15 2HE LYS 15 16.214 -1.936 8.873 118 HZ1 LYS 15 3HZ LYS 15 16.556 -1.899 5.959 119 HZ2 LYS 15 1HZ LYS 15 17.009 -3.080 7.082 120 HZ3 LYS 15 2HZ LYS 15 17.918 -1.663 6.935 121 H LYS 16 H LYS 16 10.094 -5.753 8.370 122 HA LYS 16 HA LYS 16 8.818 -5.953 10.275 123 HB3 LYS 16 2HB LYS 16 10.814 -7.312 10.734 124 HG3 LYS 16 2HG LYS 16 11.886 -4.755 11.870 125 HD3 LYS 16 2HD LYS 16 11.957 -6.625 13.571 126 HE3 LYS 16 2HE LYS 16 14.140 -7.798 11.906 127 HZ1 LYS 16 3HZ LYS 16 13.465 -9.787 13.203 128 HZ2 LYS 16 1HZ LYS 16 12.379 -8.817 14.064 129 HZ3 LYS 16 2HZ LYS 16 14.040 -8.514 14.157 130 H LYS 17 H LYS 17 8.884 -3.285 9.513 131 HA LYS 17 HA LYS 17 8.539 -2.003 12.105 132 HB3 LYS 17 2HB LYS 17 10.224 -0.758 9.925 133 HG3 LYS 17 2HG LYS 17 9.760 0.209 12.737 134 HD3 LYS 17 2HD LYS 17 11.242 1.335 10.366 135 HE3 LYS 17 2HE LYS 17 9.967 3.130 11.373 136 HZ1 LYS 17 3HZ LYS 17 10.635 1.787 13.808 137 HZ2 LYS 17 1HZ LYS 17 9.425 2.930 13.505 138 HZ3 LYS 17 2HZ LYS 17 10.993 3.439 13.881 139 H GLU 18 H GLU 18 6.835 -0.641 12.150 140 HA GLU 18 HA GLU 18 5.572 0.027 9.573 141 HB3 GLU 18 2HB GLU 18 4.301 -0.786 12.184 142 HG3 GLU 18 2HG GLU 18 2.921 0.295 9.737 143 H GLU 19 H GLU 19 4.722 2.071 9.319 144 HA GLU 19 HA GLU 19 4.662 3.936 11.522 145 HB3 GLU 19 2HB GLU 19 6.379 4.776 9.222 146 HG3 GLU 19 2HG GLU 19 6.358 5.471 12.149 147 H THR 20 H THR 20 3.850 6.082 10.835 148 HA THR 20 HA THR 20 1.935 5.753 8.637 149 HB THR 20 HB THR 20 0.807 7.760 9.658 150 HG1 THR 20 1HG THR 20 1.513 7.981 11.989 151 HG21 THR 20 3HG2 THR 20 0.039 6.458 11.726 152 HG22 THR 20 1HG2 THR 20 1.157 5.202 11.197 153 HG23 THR 20 2HG2 THR 20 -0.181 5.687 10.156 154 H PHE 21 H PHE 21 1.487 7.589 7.241 155 HA PHE 21 HA PHE 21 3.761 9.433 6.951 156 HB3 PHE 21 2HB PHE 21 2.347 7.991 4.697 157 HD1 PHE 21 1HD PHE 21 5.656 9.612 5.242 158 HD2 PHE 21 2HD PHE 21 2.098 9.427 2.913 159 HE1 PHE 21 1HE PHE 21 6.604 11.249 3.670 160 HE2 PHE 21 2HE PHE 21 3.041 11.062 1.335 161 HZ PHE 21 HZ PHE 21 5.297 11.976 1.713 162 H ASN 22 H ASN 22 3.285 11.491 6.202 163 HA ASN 22 HA ASN 22 0.434 12.121 5.835 164 HB3 ASN 22 2HB ASN 22 1.278 12.729 8.133 165 HD21 ASN 22 1HD2 ASN 22 3.405 12.727 8.687 166 HD22 ASN 22 2HD2 ASN 22 4.470 14.055 8.395 167 H GLY 23 H GLY 23 0.066 14.217 4.743 168 HA2 GLY 23 2HA GLY 23 1.306 16.041 3.509 169 HA3 GLY 23 3HA GLY 23 2.212 14.725 2.778 170 H ILE 24 H ILE 24 0.798 13.041 1.663 171 HA ILE 24 HA ILE 24 -1.113 14.488 -0.020 172 HB ILE 24 HB ILE 24 0.762 13.258 -1.104 173 HG13 ILE 24 2HG1 ILE 24 -1.864 13.468 -1.883 174 HG21 ILE 24 1HG2 ILE 24 1.267 11.169 -0.553 175 HG22 ILE 24 2HG2 ILE 24 -0.008 11.218 0.664 176 HG23 ILE 24 3HG2 ILE 24 -0.362 10.627 -0.959 177 HD11 ILE 24 3HD1 ILE 24 -0.442 12.100 -3.951 178 HD12 ILE 24 1HD1 ILE 24 -0.922 13.794 -3.853 179 HD13 ILE 24 2HD1 ILE 24 0.615 13.270 -3.163 180 H SER 25 H SER 25 -3.179 13.691 -0.468 181 HA SER 25 HA SER 25 -4.171 11.692 1.458 182 HB3 SER 25 2HB SER 25 -5.188 13.713 2.096 183 HG SER 25 HG SER 25 -5.882 14.275 -0.589 184 H LYS 26 H LYS 26 -3.193 10.622 -0.762 185 HA LYS 26 HA LYS 26 -5.568 9.611 -2.090 186 HB3 LYS 26 2HB LYS 26 -4.546 9.904 -4.351 187 HG3 LYS 26 2HG LYS 26 -4.722 12.649 -3.213 188 HD3 LYS 26 2HD LYS 26 -4.574 11.911 -5.717 189 HE3 LYS 26 2HE LYS 26 -6.606 10.349 -5.280 190 HZ1 LYS 26 3HZ LYS 26 -8.139 12.741 -6.061 191 HZ2 LYS 26 1HZ LYS 26 -7.918 12.372 -4.425 192 HZ3 LYS 26 2HZ LYS 26 -8.700 11.271 -5.442 193 H ILE 27 H ILE 27 -5.228 7.600 -3.162 194 HA ILE 27 HA ILE 27 -3.265 5.965 -1.896 195 HB ILE 27 HB ILE 27 -5.161 5.355 -4.165 196 HG13 ILE 27 2HG1 ILE 27 -6.493 4.233 -2.472 197 HG21 ILE 27 1HG2 ILE 27 -4.678 2.981 -3.647 198 HG22 ILE 27 2HG2 ILE 27 -3.288 3.850 -4.297 199 HG23 ILE 27 3HG2 ILE 27 -3.388 3.514 -2.568 200 HD11 ILE 27 3HD1 ILE 27 -5.411 5.182 -0.055 201 HD12 ILE 27 1HD1 ILE 27 -5.648 3.511 -0.566 202 HD13 ILE 27 2HD1 ILE 27 -4.122 4.331 -0.904 203 H SER 28 H SER 28 -3.399 7.732 -4.857 204 HA SER 28 HA SER 28 -1.644 6.327 -6.479 205 HB3 SER 28 2HB SER 28 -2.496 9.158 -6.251 206 HG SER 28 HG SER 28 -0.805 9.982 -7.190 207 H GLU 29 H GLU 29 -0.853 8.943 -4.190 208 HA GLU 29 HA GLU 29 1.968 8.578 -4.500 209 HB3 GLU 29 2HB GLU 29 1.574 9.956 -2.115 210 HG3 GLU 29 2HG GLU 29 2.103 11.948 -3.318 211 H LEU 30 H LEU 30 -0.480 7.367 -2.330 212 HA LEU 30 HA LEU 30 1.184 6.457 -0.254 213 HB3 LEU 30 2HB LEU 30 -1.305 5.011 -1.074 214 HG LEU 30 HG LEU 30 -0.310 5.848 1.650 215 HD11 LEU 30 1HD1 LEU 30 -2.870 5.741 1.081 216 HD12 LEU 30 2HD1 LEU 30 -2.245 5.050 2.577 217 HD13 LEU 30 3HD1 LEU 30 -2.604 4.002 1.205 218 HD21 LEU 30 3HD2 LEU 30 -0.302 3.258 0.145 219 HD22 LEU 30 1HD2 LEU 30 -0.349 3.281 1.908 220 HD23 LEU 30 2HD2 LEU 30 1.002 4.027 1.052 221 H LEU 31 H LEU 31 -0.160 4.709 -3.055 222 HA LEU 31 HA LEU 31 1.295 2.321 -2.515 223 HB3 LEU 31 2HB LEU 31 0.677 2.093 -5.131 224 HG LEU 31 HG LEU 31 -1.392 1.819 -2.952 225 HD11 LEU 31 1HD1 LEU 31 -1.384 1.238 -5.833 226 HD12 LEU 31 2HD1 LEU 31 -2.732 1.519 -4.731 227 HD13 LEU 31 3HD1 LEU 31 -1.965 -0.068 -4.800 228 HD21 LEU 31 3HD2 LEU 31 -0.594 -0.679 -3.443 229 HD22 LEU 31 1HD2 LEU 31 0.157 0.338 -2.213 230 HD23 LEU 31 2HD2 LEU 31 0.914 0.167 -3.797 231 H GLU 32 H GLU 32 1.827 5.126 -4.577 232 HA GLU 32 HA GLU 32 4.025 4.111 -6.021 233 HB3 GLU 32 2HB GLU 32 3.497 6.999 -5.303 234 HG3 GLU 32 2HG GLU 32 4.692 5.946 -7.842 235 H ARG 33 H ARG 33 3.890 6.161 -3.114 236 HA ARG 33 HA ARG 33 6.654 6.381 -2.720 237 HB3 ARG 33 2HB ARG 33 4.510 6.364 -0.590 238 HG3 ARG 33 2HG ARG 33 7.075 6.431 -0.024 239 HD3 ARG 33 2HD ARG 33 7.627 8.258 -1.538 240 HE ARG 33 HE ARG 33 5.301 9.484 -0.721 241 HH11 ARG 33 1HH1 ARG 33 8.662 10.353 -0.983 242 HH12 ARG 33 2HH1 ARG 33 8.340 12.030 -1.275 243 HH21 ARG 33 1HH2 ARG 33 4.864 11.690 -1.105 244 HH22 ARG 33 2HH2 ARG 33 6.180 12.789 -1.344 245 H LEU 34 H LEU 34 4.326 4.103 -1.281 246 HA LEU 34 HA LEU 34 6.232 2.646 0.202 247 HB3 LEU 34 2HB LEU 34 4.461 0.872 0.245 248 HG LEU 34 HG LEU 34 3.322 3.595 0.865 249 HD11 LEU 34 1HD1 LEU 34 2.673 0.831 1.873 250 HD12 LEU 34 2HD1 LEU 34 1.639 1.877 0.901 251 HD13 LEU 34 3HD1 LEU 34 2.038 2.327 2.559 252 HD21 LEU 34 3HD2 LEU 34 4.939 3.784 2.379 253 HD22 LEU 34 1HD2 LEU 34 5.539 2.163 2.028 254 HD23 LEU 34 2HD2 LEU 34 4.242 2.387 3.202 255 H LYS 35 H LYS 35 5.130 2.435 -3.106 256 HA LYS 35 HA LYS 35 6.061 -0.135 -3.734 257 HB3 LYS 35 2HB LYS 35 5.667 2.339 -5.414 258 HG3 LYS 35 2HG LYS 35 6.695 -0.331 -6.224 259 HD3 LYS 35 2HD LYS 35 4.349 0.185 -7.243 260 HE3 LYS 35 2HE LYS 35 6.149 1.981 -8.871 261 HZ1 LYS 35 3HZ LYS 35 4.752 1.352 -10.491 262 HZ2 LYS 35 1HZ LYS 35 3.655 2.396 -9.736 263 HZ3 LYS 35 2HZ LYS 35 3.593 0.735 -9.423 264 H VAL 36 H VAL 36 7.649 3.031 -4.098 265 HA VAL 36 HA VAL 36 10.123 1.871 -4.970 266 HB VAL 36 HB VAL 36 9.484 4.121 -5.687 267 HG11 VAL 36 1HG1 VAL 36 9.491 5.998 -4.152 268 HG12 VAL 36 2HG1 VAL 36 8.317 4.792 -3.625 269 HG13 VAL 36 3HG1 VAL 36 9.873 4.925 -2.806 270 HG21 VAL 36 3HG2 VAL 36 11.949 3.298 -5.130 271 HG22 VAL 36 1HG2 VAL 36 11.615 4.927 -5.720 272 HG23 VAL 36 2HG2 VAL 36 11.868 4.648 -3.998 273 H GLU 37 H GLU 37 8.819 3.055 -1.925 274 HA GLU 37 HA GLU 37 11.174 3.146 -0.429 275 HB3 GLU 37 2HB GLU 37 8.364 2.470 0.457 276 HG3 GLU 37 2HG GLU 37 10.043 1.822 2.150 277 H TYR 38 H TYR 38 8.848 0.477 -0.804 278 HA TYR 38 HA TYR 38 10.593 -1.343 0.619 279 HB3 TYR 38 2HB TYR 38 8.828 -2.988 0.284 280 HD1 TYR 38 2HD TYR 38 9.489 -1.359 2.543 281 HD2 TYR 38 1HD TYR 38 6.018 -1.204 0.086 282 HE1 TYR 38 2HE TYR 38 8.220 -0.377 4.407 283 HE2 TYR 38 1HE TYR 38 4.740 -0.221 1.943 284 HH TYR 38 HH TYR 38 6.279 0.834 4.876 285 H GLY 39 H GLY 39 9.573 -0.725 -2.697 286 HA2 GLY 39 2HA GLY 39 11.299 -1.148 -4.409 287 HA3 GLY 39 3HA GLY 39 11.613 -2.670 -3.588 288 H SER 40 H SER 40 11.279 -3.394 -5.894 289 HA SER 40 HA SER 40 8.626 -3.385 -6.956 290 HB3 SER 40 2HB SER 40 9.624 -5.179 -8.503 291 HG SER 40 HG SER 40 9.939 -3.430 -9.605 292 H GLU 41 H GLU 41 10.496 -5.556 -4.947 293 HA GLU 41 HA GLU 41 9.020 -7.894 -5.179 294 HB3 GLU 41 2HB GLU 41 9.742 -8.240 -2.723 295 HG3 GLU 41 2HG GLU 41 11.045 -8.847 -4.908 296 H PHE 42 H PHE 42 8.551 -5.212 -2.886 297 HA PHE 42 HA PHE 42 6.320 -6.255 -1.568 298 HB3 PHE 42 2HB PHE 42 7.101 -3.377 -2.073 299 HD1 PHE 42 2HD PHE 42 4.803 -2.575 -2.368 300 HD2 PHE 42 1HD PHE 42 5.999 -4.704 1.119 301 HE1 PHE 42 2HE PHE 42 2.782 -1.795 -1.201 302 HE2 PHE 42 1HE PHE 42 3.979 -3.928 2.291 303 HZ PHE 42 HZ PHE 42 2.368 -2.471 1.130 304 H THR 43 H THR 43 6.501 -4.094 -4.381 305 HA THR 43 HA THR 43 3.763 -3.702 -4.752 306 HB THR 43 HB THR 43 5.404 -3.939 -7.208 307 HG1 THR 43 1HG THR 43 5.946 -1.949 -5.237 308 HG21 THR 43 3HG2 THR 43 4.299 -1.945 -7.816 309 HG22 THR 43 1HG2 THR 43 3.879 -1.571 -6.145 310 HG23 THR 43 2HG2 THR 43 3.084 -2.908 -6.976 311 H LYS 44 H LYS 44 5.893 -6.257 -5.957 312 HA LYS 44 HA LYS 44 3.850 -7.536 -7.501 313 HB3 LYS 44 2HB LYS 44 5.484 -9.351 -7.761 314 HG3 LYS 44 2HG LYS 44 7.551 -7.761 -8.339 315 HD3 LYS 44 2HD LYS 44 4.967 -7.684 -9.894 316 HE3 LYS 44 2HE LYS 44 7.868 -7.501 -10.703 317 HZ1 LYS 44 3HZ LYS 44 6.660 -7.020 -12.937 318 HZ2 LYS 44 1HZ LYS 44 5.426 -7.966 -12.269 319 HZ3 LYS 44 2HZ LYS 44 6.974 -8.618 -12.475 320 H GLN 45 H GLN 45 4.932 -7.694 -4.212 321 HA GLN 45 HA GLN 45 3.774 -10.239 -3.610 322 HB3 GLN 45 2HB GLN 45 4.214 -8.204 -1.478 323 HG3 GLN 45 2HG GLN 45 5.408 -10.123 -0.417 324 HE21 GLN 45 1HE2 GLN 45 3.637 -12.480 -0.552 325 HE22 GLN 45 2HE2 GLN 45 2.157 -11.986 0.190 326 H MET 46 H MET 46 2.632 -6.963 -3.707 327 HA MET 46 HA MET 46 0.058 -7.839 -2.573 328 HB3 MET 46 2HB MET 46 0.963 -4.974 -2.794 329 HG3 MET 46 2HG MET 46 -1.025 -6.340 -0.996 330 HE1 MET 46 3HE MET 46 0.969 -3.038 -1.923 331 HE2 MET 46 1HE MET 46 -0.698 -2.726 -2.409 332 HE3 MET 46 2HE MET 46 0.003 -1.843 -1.053 333 H TYR 47 H TYR 47 1.450 -7.500 -5.432 334 HA TYR 47 HA TYR 47 -0.916 -7.363 -6.909 335 HB3 TYR 47 2HB TYR 47 0.505 -4.891 -7.624 336 HD1 TYR 47 2HD TYR 47 -2.732 -6.200 -6.273 337 HD2 TYR 47 1HD TYR 47 -0.778 -3.801 -9.195 338 HE1 TYR 47 2HE TYR 47 -4.902 -5.730 -7.331 339 HE2 TYR 47 1HE TYR 47 -2.943 -3.324 -10.259 340 HH TYR 47 HH TYR 47 -5.959 -4.257 -8.788 341 H ASP 48 H ASP 48 -0.070 -9.004 -8.102 342 HA ASP 48 HA ASP 48 2.448 -8.512 -9.535 343 HB3 ASP 48 2HB ASP 48 0.936 -11.064 -8.960 344 H GLY 49 H GLY 49 1.657 -7.192 -11.185 345 HA2 GLY 49 2HA GLY 49 1.089 -7.061 -13.451 346 HA3 GLY 49 3HA GLY 49 0.349 -8.650 -13.334 347 H ASN 50 H ASN 50 -1.768 -8.818 -12.376 348 HA ASN 50 HA ASN 50 -3.273 -6.287 -12.455 349 HB3 ASN 50 2HB ASN 50 -5.137 -7.440 -13.491 350 HD21 ASN 50 1HD2 ASN 50 -3.283 -9.625 -15.138 351 HD22 ASN 50 2HD2 ASN 50 -2.754 -8.616 -16.438 352 H ASN 51 H ASN 51 -3.074 -9.558 -11.138 353 HA ASN 51 HA ASN 51 -4.645 -8.632 -8.824 354 HB3 ASN 51 2HB ASN 51 -5.920 -10.225 -10.273 355 HD21 ASN 51 1HD2 ASN 51 -4.746 -11.172 -11.963 356 HD22 ASN 51 2HD2 ASN 51 -4.019 -12.731 -11.792 357 H LEU 52 H LEU 52 -4.215 -9.891 -6.829 358 HA LEU 52 HA LEU 52 -1.558 -9.849 -6.100 359 HB3 LEU 52 2HB LEU 52 -2.195 -11.125 -4.136 360 HG LEU 52 HG LEU 52 -3.572 -9.638 -3.147 361 HD11 LEU 52 1HD1 LEU 52 -3.383 -7.513 -4.090 362 HD12 LEU 52 2HD1 LEU 52 -3.487 -8.131 -5.738 363 HD13 LEU 52 3HD1 LEU 52 -2.031 -8.408 -4.783 364 HD21 LEU 52 3HD2 LEU 52 -5.740 -9.229 -3.717 365 HD22 LEU 52 1HD2 LEU 52 -5.488 -10.727 -4.614 366 HD23 LEU 52 2HD2 LEU 52 -5.394 -9.175 -5.446 367 H PHE 53 H PHE 53 -0.161 -11.661 -5.412 368 HA PHE 53 HA PHE 53 0.125 -13.547 -7.558 369 HB3 PHE 53 2HB PHE 53 1.699 -13.382 -4.982 370 HD1 PHE 53 2HD PHE 53 1.757 -15.920 -5.187 371 HD2 PHE 53 1HD PHE 53 3.408 -13.299 -8.106 372 HE1 PHE 53 2HE PHE 53 3.145 -17.760 -6.050 373 HE2 PHE 53 1HE PHE 53 4.798 -15.135 -8.973 374 HZ PHE 53 HZ PHE 53 4.667 -17.369 -7.945 375 H LYS 54 H LYS 54 0.008 -14.033 -4.026 376 HA LYS 54 HA LYS 54 -0.925 -16.754 -4.421 377 HB3 LYS 54 2HB LYS 54 -0.318 -15.221 -1.887 378 HG3 LYS 54 2HG LYS 54 -1.852 -17.171 -1.568 379 HD3 LYS 54 2HD LYS 54 -0.045 -19.281 -1.650 380 HE3 LYS 54 2HE LYS 54 -2.000 -18.794 -3.862 381 HZ1 LYS 54 3HZ LYS 54 -1.492 -21.176 -2.164 382 HZ2 LYS 54 1HZ LYS 54 -0.795 -20.920 -3.684 383 HZ3 LYS 54 2HZ LYS 54 -2.469 -21.105 -3.542 384 H ASN 55 H ASN 55 -2.041 -13.910 -2.578 385 HA ASN 55 HA ASN 55 -4.611 -13.747 -3.383 386 HB3 ASN 55 2HB ASN 55 -5.468 -15.163 -1.152 387 HD21 ASN 55 1HD2 ASN 55 -6.697 -14.057 -3.224 388 HD22 ASN 55 2HD2 ASN 55 -7.393 -15.255 -4.258 389 H VAL 56 H VAL 56 -2.744 -12.049 -2.324 390 HA VAL 56 HA VAL 56 -3.126 -11.447 0.416 391 HB VAL 56 HB VAL 56 -2.321 -9.420 -1.656 392 HG11 VAL 56 1HG1 VAL 56 -2.643 -8.608 0.617 393 HG12 VAL 56 2HG1 VAL 56 -1.530 -9.835 1.226 394 HG13 VAL 56 3HG1 VAL 56 -0.939 -8.551 0.169 395 HG21 VAL 56 3HG2 VAL 56 -0.815 -11.000 -2.300 396 HG22 VAL 56 1HG2 VAL 56 0.053 -10.362 -0.903 397 HG23 VAL 56 2HG2 VAL 56 -0.881 -11.851 -0.757 398 H ILE 57 H ILE 57 -4.478 -10.033 1.438 399 HA ILE 57 HA ILE 57 -6.523 -8.704 -0.213 400 HB ILE 57 HB ILE 57 -6.996 -10.076 2.437 401 HG13 ILE 57 2HG1 ILE 57 -6.690 -11.552 0.397 402 HG21 ILE 57 1HG2 ILE 57 -8.829 -8.844 2.631 403 HG22 ILE 57 2HG2 ILE 57 -8.392 -7.965 1.167 404 HG23 ILE 57 3HG2 ILE 57 -9.392 -9.413 1.059 405 HD11 ILE 57 3HD1 ILE 57 -8.333 -13.045 0.969 406 HD12 ILE 57 1HD1 ILE 57 -8.229 -12.057 2.426 407 HD13 ILE 57 2HD1 ILE 57 -9.528 -11.783 1.264 408 H ILE 58 H ILE 58 -6.133 -6.593 -0.041 409 HA ILE 58 HA ILE 58 -5.609 -5.495 2.644 410 HB ILE 58 HB ILE 58 -3.609 -4.997 1.648 411 HG13 ILE 58 2HG1 ILE 58 -4.844 -2.889 2.259 412 HG21 ILE 58 1HG2 ILE 58 -5.073 -4.711 -0.971 413 HG22 ILE 58 2HG2 ILE 58 -3.344 -4.441 -0.754 414 HG23 ILE 58 3HG2 ILE 58 -4.028 -6.043 -0.477 415 HD11 ILE 58 3HD1 ILE 58 -3.371 -1.326 1.129 416 HD12 ILE 58 1HD1 ILE 58 -2.481 -2.743 1.689 417 HD13 ILE 58 2HD1 ILE 58 -2.902 -2.582 -0.016 418 H LEU 59 H LEU 59 -6.842 -3.821 3.308 419 HA LEU 59 HA LEU 59 -8.765 -2.705 1.374 420 HB3 LEU 59 2HB LEU 59 -10.188 -2.371 3.515 421 HG LEU 59 HG LEU 59 -9.842 -5.131 2.353 422 HD11 LEU 59 1HD1 LEU 59 -11.042 -5.835 4.095 423 HD12 LEU 59 2HD1 LEU 59 -12.390 -4.968 3.360 424 HD13 LEU 59 3HD1 LEU 59 -11.420 -4.193 4.613 425 HD21 LEU 59 3HD2 LEU 59 -11.372 -2.714 1.623 426 HD22 LEU 59 1HD2 LEU 59 -12.225 -4.251 1.498 427 HD23 LEU 59 2HD2 LEU 59 -10.725 -4.000 0.606 428 H VAL 60 H VAL 60 -9.077 -0.526 1.367 429 HA VAL 60 HA VAL 60 -7.302 1.042 3.113 430 HB VAL 60 HB VAL 60 -8.551 1.902 0.501 431 HG11 VAL 60 1HG1 VAL 60 -7.541 3.454 2.515 432 HG12 VAL 60 2HG1 VAL 60 -6.144 3.253 1.456 433 HG13 VAL 60 3HG1 VAL 60 -7.646 3.923 0.819 434 HG21 VAL 60 3HG2 VAL 60 -6.988 0.077 0.121 435 HG22 VAL 60 1HG2 VAL 60 -6.313 1.598 -0.463 436 HG23 VAL 60 2HG2 VAL 60 -5.756 0.915 1.064 437 H ASN 61 H ASN 61 -8.246 2.088 4.725 438 HA ASN 61 HA ASN 61 -9.773 3.201 5.992 439 HB3 ASN 61 2HB ASN 61 -11.236 3.999 3.492 440 HD21 ASN 61 1HD2 ASN 61 -11.034 6.645 3.771 441 HD22 ASN 61 2HD2 ASN 61 -11.730 7.167 5.264 442 H GLY 62 H GLY 62 -10.248 0.472 5.570 443 HA2 GLY 62 2HA GLY 62 -11.878 -1.124 5.827 444 HA3 GLY 62 3HA GLY 62 -12.834 0.165 6.544 445 H ASN 63 H ASN 63 -11.726 0.360 3.247 446 HA ASN 63 HA ASN 63 -14.149 -0.700 2.116 447 HB3 ASN 63 2HB ASN 63 -14.418 1.706 0.951 448 HD21 ASN 63 1HD2 ASN 63 -15.538 3.095 3.413 449 HD22 ASN 63 2HD2 ASN 63 -17.004 2.239 3.735 450 H ASN 64 H ASN 64 -13.372 -1.784 0.438 451 HA ASN 64 HA ASN 64 -10.902 -1.469 -0.756 452 HB3 ASN 64 2HB ASN 64 -11.967 -3.499 -1.208 453 HD21 ASN 64 1HD2 ASN 64 -13.960 -2.394 -3.681 454 HD22 ASN 64 2HD2 ASN 64 -15.486 -2.702 -2.932 455 H ILE 65 H ILE 65 -10.055 0.007 -2.062 456 HA ILE 65 HA ILE 65 -11.362 2.316 -2.880 457 HB ILE 65 HB ILE 65 -9.457 2.770 -4.307 458 HG13 ILE 65 2HG1 ILE 65 -9.232 0.567 -5.352 459 HG21 ILE 65 1HG2 ILE 65 -8.215 3.226 -2.519 460 HG22 ILE 65 2HG2 ILE 65 -9.356 2.268 -1.576 461 HG23 ILE 65 3HG2 ILE 65 -7.899 1.516 -2.224 462 HD11 ILE 65 3HD1 ILE 65 -7.149 1.090 -5.855 463 HD12 ILE 65 1HD1 ILE 65 -7.019 2.077 -4.400 464 HD13 ILE 65 2HD1 ILE 65 -6.614 0.360 -4.342 465 H THR 66 H THR 66 -11.066 -0.786 -4.466 466 HA THR 66 HA THR 66 -11.755 -0.084 -7.076 467 HB THR 66 HB THR 66 -12.373 -2.377 -7.429 468 HG1 THR 66 1HG THR 66 -12.899 -3.742 -5.764 469 HG21 THR 66 3HG2 THR 66 -10.354 -2.935 -5.376 470 HG22 THR 66 1HG2 THR 66 -9.938 -1.608 -6.459 471 HG23 THR 66 2HG2 THR 66 -10.303 -3.203 -7.118 472 H SER 67 H SER 67 -13.705 -0.340 -4.213 473 HA SER 67 HA SER 67 -16.235 -0.765 -5.199 474 HB3 SER 67 2HB SER 67 -15.284 1.010 -2.950 475 HG SER 67 HG SER 67 -17.231 1.829 -3.088 476 H MET 68 H MET 68 -14.448 2.294 -5.066 477 HA MET 68 HA MET 68 -16.433 3.432 -6.922 478 HB3 MET 68 2HB MET 68 -16.777 4.936 -5.280 479 HG3 MET 68 2HG MET 68 -14.071 4.318 -4.120 480 HE1 MET 68 3HE MET 68 -16.357 5.786 -0.747 481 HE2 MET 68 1HE MET 68 -16.596 4.298 -1.663 482 HE3 MET 68 2HE MET 68 -15.032 4.635 -0.920 483 H LYS 69 H LYS 69 -13.226 4.497 -5.820 484 HA LYS 69 HA LYS 69 -12.326 4.411 -8.624 485 HB3 LYS 69 2HB LYS 69 -10.811 6.387 -7.811 486 HG3 LYS 69 2HG LYS 69 -13.661 6.501 -8.643 487 HD3 LYS 69 2HD LYS 69 -12.010 8.919 -7.908 488 HE3 LYS 69 2HE LYS 69 -14.868 9.059 -8.703 489 HZ1 LYS 69 3HZ LYS 69 -14.335 11.211 -9.285 490 HZ2 LYS 69 1HZ LYS 69 -12.697 10.869 -9.530 491 HZ3 LYS 69 2HZ LYS 69 -13.316 10.956 -7.959 492 H GLY 70 H GLY 70 -10.458 3.377 -9.006 493 HA2 GLY 70 2HA GLY 70 -9.242 1.769 -7.068 494 HA3 GLY 70 3HA GLY 70 -8.546 2.165 -8.632 495 H LEU 71 H LEU 71 -6.928 3.653 -8.767 496 HA LEU 71 HA LEU 71 -5.578 4.314 -6.325 497 HB3 LEU 71 2HB LEU 71 -4.629 5.661 -8.730 498 HG LEU 71 HG LEU 71 -3.214 5.127 -6.699 499 HD11 LEU 71 1HD1 LEU 71 -4.001 2.805 -6.432 500 HD12 LEU 71 2HD1 LEU 71 -2.246 2.923 -6.545 501 HD13 LEU 71 3HD1 LEU 71 -3.183 2.378 -7.936 502 HD21 LEU 71 3HD2 LEU 71 -1.233 4.798 -8.004 503 HD22 LEU 71 1HD2 LEU 71 -2.339 5.816 -8.927 504 HD23 LEU 71 2HD2 LEU 71 -2.164 4.109 -9.335 505 H ASP 72 H ASP 72 -7.927 5.828 -8.258 506 HA ASP 72 HA ASP 72 -7.230 8.544 -7.668 507 HB3 ASP 72 2HB ASP 72 -9.864 8.668 -8.332 508 H THR 73 H THR 73 -8.555 6.063 -5.850 509 HA THR 73 HA THR 73 -10.510 7.359 -4.317 510 HB THR 73 HB THR 73 -8.953 4.892 -4.102 511 HG1 THR 73 1HG THR 73 -11.316 5.336 -4.578 512 HG21 THR 73 3HG2 THR 73 -9.814 6.338 -1.598 513 HG22 THR 73 1HG2 THR 73 -8.194 5.774 -2.008 514 HG23 THR 73 2HG2 THR 73 -9.473 4.609 -1.665 515 H GLU 74 H GLU 74 -10.405 8.883 -2.801 516 HA GLU 74 HA GLU 74 -7.851 9.989 -2.059 517 HB3 GLU 74 2HB GLU 74 -9.940 11.338 -2.527 518 HG3 GLU 74 2HG GLU 74 -10.677 10.713 0.311 519 H ILE 75 H ILE 75 -7.455 10.561 0.287 520 HA ILE 75 HA ILE 75 -8.497 8.636 2.202 521 HB ILE 75 HB ILE 75 -6.120 8.102 2.951 522 HG13 ILE 75 2HG1 ILE 75 -5.058 9.880 1.550 523 HG21 ILE 75 1HG2 ILE 75 -6.848 7.000 0.250 524 HG22 ILE 75 2HG2 ILE 75 -6.001 6.189 1.565 525 HG23 ILE 75 3HG2 ILE 75 -7.713 6.575 1.726 526 HD11 ILE 75 3HD1 ILE 75 -3.172 8.745 1.683 527 HD12 ILE 75 1HD1 ILE 75 -4.095 7.267 1.955 528 HD13 ILE 75 2HD1 ILE 75 -3.651 7.739 0.315 529 H LYS 76 H LYS 76 -8.714 9.522 4.160 530 HA LYS 76 HA LYS 76 -7.461 12.139 4.625 531 HB3 LYS 76 2HB LYS 76 -9.233 12.483 6.304 532 HG3 LYS 76 2HG LYS 76 -10.831 11.523 4.014 533 HD3 LYS 76 2HD LYS 76 -11.526 13.105 5.928 534 HE3 LYS 76 2HE LYS 76 -9.506 14.554 5.711 535 HZ1 LYS 76 3HZ LYS 76 -10.347 16.278 3.726 536 HZ2 LYS 76 1HZ LYS 76 -10.413 14.736 3.033 537 HZ3 LYS 76 2HZ LYS 76 -8.967 15.298 3.709 538 H ASP 77 H ASP 77 -7.189 12.575 7.093 539 HA ASP 77 HA ASP 77 -5.113 10.984 8.038 540 HB3 ASP 77 2HB ASP 77 -5.629 13.336 8.751 541 H ASP 78 H ASP 78 -8.536 10.598 8.347 542 HA ASP 78 HA ASP 78 -8.410 8.764 10.563 543 HB3 ASP 78 2HB ASP 78 -10.786 8.499 10.256 544 H ASP 79 H ASP 79 -8.238 8.569 7.111 545 HA ASP 79 HA ASP 79 -9.063 5.993 6.581 546 HB3 ASP 79 2HB ASP 79 -7.948 7.929 5.088 547 H LYS 80 H LYS 80 -8.000 3.981 6.449 548 HA LYS 80 HA LYS 80 -5.405 3.699 7.733 549 HB3 LYS 80 2HB LYS 80 -6.994 3.577 9.600 550 HG3 LYS 80 2HG LYS 80 -8.117 1.071 8.393 551 HD3 LYS 80 2HD LYS 80 -9.972 1.975 10.084 552 HE3 LYS 80 2HE LYS 80 -8.746 0.621 11.890 553 HZ1 LYS 80 3HZ LYS 80 -9.822 -0.240 9.368 554 HZ2 LYS 80 1HZ LYS 80 -10.121 -0.826 10.926 555 HZ3 LYS 80 2HZ LYS 80 -8.775 -1.372 10.061 556 H ILE 81 H ILE 81 -4.228 2.255 6.664 557 HA ILE 81 HA ILE 81 -5.611 0.393 4.859 558 HB ILE 81 HB ILE 81 -2.746 1.348 4.821 559 HG13 ILE 81 2HG1 ILE 81 -5.237 2.153 3.392 560 HG21 ILE 81 1HG2 ILE 81 -2.623 -0.790 3.929 561 HG22 ILE 81 2HG2 ILE 81 -4.218 -0.680 3.188 562 HG23 ILE 81 3HG2 ILE 81 -2.863 0.217 2.501 563 HD11 ILE 81 3HD1 ILE 81 -4.044 4.348 3.338 564 HD12 ILE 81 1HD1 ILE 81 -4.422 3.740 4.950 565 HD13 ILE 81 2HD1 ILE 81 -2.780 3.609 4.320 566 H ASP 82 H ASP 82 -5.263 -1.781 4.937 567 HA ASP 82 HA ASP 82 -3.344 -2.811 6.902 568 HB3 ASP 82 2HB ASP 82 -5.057 -4.477 7.649 569 H LEU 83 H LEU 83 -2.428 -4.777 6.398 570 HA LEU 83 HA LEU 83 -3.099 -5.837 3.733 571 HB3 LEU 83 2HB LEU 83 -0.462 -6.126 5.153 572 HG LEU 83 HG LEU 83 0.453 -6.309 2.827 573 HD11 LEU 83 1HD1 LEU 83 0.079 -8.629 2.682 574 HD12 LEU 83 2HD1 LEU 83 -1.499 -8.504 3.457 575 HD13 LEU 83 3HD1 LEU 83 -0.031 -8.235 4.398 576 HD21 LEU 83 3HD2 LEU 83 -2.372 -6.928 2.013 577 HD22 LEU 83 1HD2 LEU 83 -0.949 -6.728 0.990 578 HD23 LEU 83 2HD2 LEU 83 -1.657 -5.330 1.797 579 H PHE 84 H PHE 84 -4.040 -7.757 3.740 580 HA PHE 84 HA PHE 84 -3.592 -9.543 6.034 581 HB3 PHE 84 2HB PHE 84 -5.740 -10.510 5.611 582 HD1 PHE 84 2HD PHE 84 -4.840 -8.311 7.347 583 HD2 PHE 84 1HD PHE 84 -7.761 -8.367 4.253 584 HE1 PHE 84 2HE PHE 84 -6.018 -6.441 8.431 585 HE2 PHE 84 1HE PHE 84 -8.944 -6.498 5.330 586 HZ PHE 84 HZ PHE 84 -8.073 -5.532 7.422 587 HA PRO 85 HA PRO 85 -1.391 -12.268 3.342 588 HB3 PRO 85 2HB PRO 85 -0.393 -13.078 5.246 589 HG3 PRO 85 2HG PRO 85 -1.551 -13.174 7.260 590 HD3 PRO 85 2HD PRO 85 -1.983 -10.993 6.658 591 HA PRO 86 HA PRO 86 -4.305 -14.714 1.136 592 HB3 PRO 86 2HB PRO 86 -2.636 -15.136 -0.385 593 HG3 PRO 86 2HG PRO 86 -0.439 -15.461 0.305 594 HD3 PRO 86 2HD PRO 86 -0.924 -13.509 1.430 595 H VAL 87 H VAL 87 -5.628 -16.527 1.277 596 HA VAL 87 HA VAL 87 -6.004 -17.691 3.771 597 HB VAL 87 HB VAL 87 -7.397 -19.404 2.540 598 HG11 VAL 87 1HG1 VAL 87 -8.311 -16.837 1.449 599 HG12 VAL 87 2HG1 VAL 87 -9.113 -17.953 2.555 600 HG13 VAL 87 3HG1 VAL 87 -7.914 -16.813 3.167 601 HG21 VAL 87 3HG2 VAL 87 -5.985 -19.291 0.458 602 HG22 VAL 87 1HG2 VAL 87 -7.727 -19.214 0.195 603 HG23 VAL 87 2HG2 VAL 87 -6.757 -17.744 0.109 604 H ALA 88 H ALA 88 -3.930 -18.642 1.149 605 HA ALA 88 HA ALA 88 -3.462 -21.302 2.169 606 HB1 ALA 88 1HB ALA 88 -1.805 -19.883 0.102 607 HB2 ALA 88 2HB ALA 88 -2.042 -21.617 0.319 608 HB3 ALA 88 3HB ALA 88 -3.365 -20.614 -0.275 609 H GLY 89 H GLY 89 -2.048 -18.142 2.500 610 HA2 GLY 89 2HA GLY 89 0.507 -18.980 3.440 611 HA3 GLY 89 3HA GLY 89 -0.197 -17.383 3.637 612 H GLY 90 H GLY 90 -1.737 -17.079 5.404 613 HA2 GLY 90 2HA GLY 90 -0.890 -18.633 7.737 614 HA3 GLY 90 3HA GLY 90 -1.694 -17.071 7.771 Start of MODEL 9 1 H1 MET 1 H MET 1 -3.058 12.530 7.400 2 HA MET 1 HA MET 1 -0.443 11.278 7.846 3 HB3 MET 1 2HB MET 1 -2.622 11.668 9.895 4 HG3 MET 1 2HG MET 1 -0.542 9.584 9.756 5 HE1 MET 1 3HE MET 1 1.411 10.468 10.427 6 HE2 MET 1 1HE MET 1 1.375 11.947 11.387 7 HE3 MET 1 2HE MET 1 1.962 10.446 12.103 8 H VAL 2 H VAL 2 -0.386 9.255 7.122 9 HA VAL 2 HA VAL 2 -2.937 7.813 6.798 10 HB VAL 2 HB VAL 2 -1.718 6.577 4.926 11 HG11 VAL 2 1HG1 VAL 2 -2.620 9.429 4.776 12 HG12 VAL 2 2HG1 VAL 2 -2.076 8.574 3.331 13 HG13 VAL 2 3HG1 VAL 2 -3.455 7.968 4.251 14 HG21 VAL 2 3HG2 VAL 2 0.042 9.023 4.973 15 HG22 VAL 2 1HG2 VAL 2 0.535 7.442 5.580 16 HG23 VAL 2 2HG2 VAL 2 0.142 7.648 3.873 17 H THR 3 H THR 3 -3.093 5.847 7.690 18 HA THR 3 HA THR 3 -0.678 4.728 8.946 19 HB THR 3 HB THR 3 -3.475 3.894 9.658 20 HG1 THR 3 1HG THR 3 -3.786 5.849 10.399 21 HG21 THR 3 3HG2 THR 3 -0.752 3.671 10.837 22 HG22 THR 3 1HG2 THR 3 -2.054 2.484 10.771 23 HG23 THR 3 2HG2 THR 3 -2.123 3.804 11.939 24 H VAL 4 H VAL 4 0.026 2.734 8.431 25 HA VAL 4 HA VAL 4 -1.608 1.162 6.545 26 HB VAL 4 HB VAL 4 1.297 0.657 6.584 27 HG11 VAL 4 1HG1 VAL 4 0.180 1.231 4.017 28 HG12 VAL 4 2HG1 VAL 4 0.756 -0.309 4.659 29 HG13 VAL 4 3HG1 VAL 4 -0.920 0.180 4.909 30 HG21 VAL 4 3HG2 VAL 4 0.143 3.291 5.732 31 HG22 VAL 4 1HG2 VAL 4 1.578 2.971 6.705 32 HG23 VAL 4 2HG2 VAL 4 1.596 2.640 4.973 33 H ARG 5 H ARG 5 -0.620 -1.212 6.488 34 HA ARG 5 HA ARG 5 0.116 -2.173 9.125 35 HB3 ARG 5 2HB ARG 5 -2.120 -3.736 8.108 36 HG3 ARG 5 2HG ARG 5 -2.502 -2.397 10.654 37 HD3 ARG 5 2HD ARG 5 -2.221 -5.266 9.776 38 HE ARG 5 HE ARG 5 -1.990 -4.492 12.359 39 HH11 ARG 5 1HH1 ARG 5 -4.459 -6.171 10.568 40 HH12 ARG 5 2HH1 ARG 5 -5.002 -7.095 11.931 41 HH21 ARG 5 1HH2 ARG 5 -2.696 -5.703 14.159 42 HH22 ARG 5 2HH2 ARG 5 -3.998 -6.827 13.972 43 H TYR 6 H TYR 6 1.297 -4.012 9.043 44 HA TYR 6 HA TYR 6 1.375 -5.492 6.503 45 HB3 TYR 6 2HB TYR 6 3.796 -5.623 6.602 46 HD1 TYR 6 2HD TYR 6 1.959 -4.069 4.960 47 HD2 TYR 6 1HD TYR 6 4.905 -2.735 7.724 48 HE1 TYR 6 2HE TYR 6 2.147 -1.949 3.727 49 HE2 TYR 6 1HE TYR 6 5.101 -0.611 6.501 50 HH TYR 6 HH TYR 6 3.570 0.768 4.951 51 H TYR 7 H TYR 7 2.154 -7.678 6.678 52 HA TYR 7 HA TYR 7 1.795 -8.790 9.385 53 HB3 TYR 7 2HB TYR 7 1.326 -10.907 7.730 54 HD1 TYR 7 2HD TYR 7 -0.512 -7.786 8.652 55 HD2 TYR 7 1HD TYR 7 -0.460 -12.040 8.658 56 HE1 TYR 7 2HE TYR 7 -2.598 -7.803 9.954 57 HE2 TYR 7 1HE TYR 7 -2.546 -12.069 9.961 58 HH TYR 7 HH TYR 7 -3.994 -9.094 11.177 59 H ALA 8 H ALA 8 2.714 -11.227 9.275 60 HA ALA 8 HA ALA 8 5.468 -11.049 9.396 61 HB1 ALA 8 1HB ALA 8 5.209 -13.672 8.951 62 HB2 ALA 8 2HB ALA 8 4.777 -12.912 10.484 63 HB3 ALA 8 3HB ALA 8 3.525 -13.276 9.295 64 H THR 9 H THR 9 3.422 -11.629 6.643 65 HA THR 9 HA THR 9 5.416 -12.689 4.916 66 HB THR 9 HB THR 9 3.829 -12.061 3.080 67 HG1 THR 9 1HG THR 9 2.002 -10.974 3.549 68 HG21 THR 9 3HG2 THR 9 3.724 -14.200 4.472 69 HG22 THR 9 1HG2 THR 9 2.269 -13.754 3.582 70 HG23 THR 9 2HG2 THR 9 2.370 -13.449 5.316 71 H LEU 10 H LEU 10 4.237 -9.432 5.590 72 HA LEU 10 HA LEU 10 6.033 -8.288 3.603 73 HB3 LEU 10 2HB LEU 10 5.026 -6.115 4.536 74 HG LEU 10 HG LEU 10 2.985 -6.223 3.291 75 HD11 LEU 10 1HD1 LEU 10 5.418 -6.638 2.222 76 HD12 LEU 10 2HD1 LEU 10 3.945 -6.461 1.267 77 HD13 LEU 10 3HD1 LEU 10 4.572 -8.069 1.632 78 HD21 LEU 10 3HD2 LEU 10 3.331 -9.218 3.218 79 HD22 LEU 10 1HD2 LEU 10 2.031 -8.285 2.477 80 HD23 LEU 10 2HD2 LEU 10 2.174 -8.358 4.234 81 H ARG 11 H ARG 11 6.311 -9.344 6.706 82 HA ARG 11 HA ARG 11 7.666 -7.309 8.054 83 HB3 ARG 11 2HB ARG 11 8.814 -9.844 8.725 84 HG3 ARG 11 2HG ARG 11 7.005 -9.488 10.655 85 HD3 ARG 11 2HD ARG 11 9.504 -7.845 10.265 86 HE ARG 11 HE ARG 11 7.741 -7.644 12.375 87 HH11 ARG 11 1HH1 ARG 11 11.080 -8.520 11.928 88 HH12 ARG 11 2HH1 ARG 11 11.571 -7.970 13.496 89 HH21 ARG 11 1HH2 ARG 11 8.373 -6.917 14.442 90 HH22 ARG 11 2HH2 ARG 11 10.030 -7.059 14.926 91 HA PRO 12 HA PRO 12 11.798 -9.157 6.366 92 HB3 PRO 12 2HB PRO 12 11.621 -11.432 6.094 93 HG3 PRO 12 2HG PRO 12 9.617 -12.408 5.431 94 HD3 PRO 12 2HD PRO 12 8.860 -11.084 7.159 95 H ILE 13 H ILE 13 9.165 -8.019 4.632 96 HA ILE 13 HA ILE 13 10.735 -7.331 2.259 97 HB ILE 13 HB ILE 13 7.842 -6.632 2.667 98 HG13 ILE 13 2HG1 ILE 13 7.928 -8.993 3.117 99 HG21 ILE 13 1HG2 ILE 13 7.749 -6.484 0.325 100 HG22 ILE 13 2HG2 ILE 13 9.272 -5.715 0.770 101 HG23 ILE 13 3HG2 ILE 13 9.269 -7.356 0.125 102 HD11 ILE 13 3HD1 ILE 13 6.239 -9.489 1.782 103 HD12 ILE 13 1HD1 ILE 13 6.568 -8.002 0.893 104 HD13 ILE 13 2HD1 ILE 13 7.296 -9.521 0.371 105 H THR 14 H THR 14 8.568 -5.701 4.579 106 HA THR 14 HA THR 14 9.219 -3.082 3.805 107 HB THR 14 HB THR 14 8.255 -2.369 5.949 108 HG1 THR 14 1HG THR 14 7.841 -5.086 6.616 109 HG21 THR 14 3HG2 THR 14 6.331 -2.643 4.857 110 HG22 THR 14 1HG2 THR 14 6.203 -4.244 5.582 111 HG23 THR 14 2HG2 THR 14 6.961 -4.050 4.001 112 H LYS 15 H LYS 15 11.001 -5.386 5.568 113 HA LYS 15 HA LYS 15 13.016 -5.335 6.622 114 HB3 LYS 15 2HB LYS 15 13.586 -2.569 5.671 115 HG3 LYS 15 2HG LYS 15 15.088 -5.135 5.911 116 HD3 LYS 15 2HD LYS 15 16.269 -2.819 4.438 117 HE3 LYS 15 2HE LYS 15 17.506 -4.899 5.363 118 HZ1 LYS 15 3HZ LYS 15 16.322 -6.028 2.884 119 HZ2 LYS 15 1HZ LYS 15 16.013 -6.562 4.459 120 HZ3 LYS 15 2HZ LYS 15 17.559 -6.739 3.793 121 H LYS 16 H LYS 16 10.554 -4.022 7.795 122 HA LYS 16 HA LYS 16 11.606 -3.316 10.274 123 HB3 LYS 16 2HB LYS 16 10.522 -0.775 9.370 124 HG3 LYS 16 2HG LYS 16 12.880 -1.735 10.888 125 HD3 LYS 16 2HD LYS 16 13.472 0.847 10.882 126 HE3 LYS 16 2HE LYS 16 14.405 -0.788 8.545 127 HZ1 LYS 16 3HZ LYS 16 16.527 0.234 9.890 128 HZ2 LYS 16 1HZ LYS 16 15.374 1.464 10.034 129 HZ3 LYS 16 2HZ LYS 16 15.828 0.906 8.504 130 H LYS 17 H LYS 17 9.771 -1.576 11.298 131 HA LYS 17 HA LYS 17 7.340 -3.165 11.145 132 HB3 LYS 17 2HB LYS 17 8.394 -2.475 13.331 133 HG3 LYS 17 2HG LYS 17 7.179 0.209 12.712 134 HD3 LYS 17 2HD LYS 17 8.583 0.716 14.840 135 HE3 LYS 17 2HE LYS 17 6.055 -0.913 15.085 136 HZ1 LYS 17 3HZ LYS 17 6.567 1.366 16.805 137 HZ2 LYS 17 1HZ LYS 17 7.544 0.015 17.086 138 HZ3 LYS 17 2HZ LYS 17 5.861 -0.127 17.166 139 H GLU 18 H GLU 18 5.419 -1.319 11.856 140 HA GLU 18 HA GLU 18 5.226 0.287 9.399 141 HB3 GLU 18 2HB GLU 18 3.028 -0.758 11.194 142 HG3 GLU 18 2HG GLU 18 1.711 -0.218 8.992 143 H GLU 19 H GLU 19 4.283 2.391 9.510 144 HA GLU 19 HA GLU 19 3.899 3.624 12.097 145 HB3 GLU 19 2HB GLU 19 5.933 4.968 10.371 146 HG3 GLU 19 2HG GLU 19 5.162 4.994 13.239 147 H THR 20 H THR 20 3.252 5.934 11.875 148 HA THR 20 HA THR 20 1.630 6.250 9.454 149 HB THR 20 HB THR 20 0.525 8.104 10.824 150 HG1 THR 20 1HG THR 20 2.370 8.040 12.394 151 HG21 THR 20 3HG2 THR 20 -0.586 5.992 10.487 152 HG22 THR 20 1HG2 THR 20 -0.792 6.474 12.170 153 HG23 THR 20 2HG2 THR 20 0.387 5.233 11.746 154 H PHE 21 H PHE 21 1.925 7.874 8.037 155 HA PHE 21 HA PHE 21 3.768 10.046 8.751 156 HB3 PHE 21 2HB PHE 21 4.931 8.246 7.416 157 HD1 PHE 21 2HD PHE 21 3.507 6.501 6.452 158 HD2 PHE 21 1HD PHE 21 3.877 10.335 4.640 159 HE1 PHE 21 2HE PHE 21 2.554 5.604 4.368 160 HE2 PHE 21 1HE PHE 21 2.925 9.444 2.554 161 HZ PHE 21 HZ PHE 21 2.262 7.076 2.415 162 H ASN 22 H ASN 22 3.326 12.028 7.837 163 HA ASN 22 HA ASN 22 0.709 12.236 6.533 164 HB3 ASN 22 2HB ASN 22 1.125 13.523 8.636 165 HD21 ASN 22 1HD2 ASN 22 2.878 14.064 9.729 166 HD22 ASN 22 2HD2 ASN 22 4.096 15.169 9.200 167 H GLY 23 H GLY 23 0.459 13.923 4.849 168 HA2 GLY 23 2HA GLY 23 1.790 15.401 3.311 169 HA3 GLY 23 3HA GLY 23 2.874 14.027 3.149 170 H ILE 24 H ILE 24 1.359 11.911 2.704 171 HA ILE 24 HA ILE 24 -0.023 12.592 0.206 172 HB ILE 24 HB ILE 24 1.181 9.997 1.161 173 HG13 ILE 24 2HG1 ILE 24 2.652 10.295 -0.799 174 HG21 ILE 24 1HG2 ILE 24 -0.778 9.376 -0.017 175 HG22 ILE 24 2HG2 ILE 24 -0.490 10.583 -1.271 176 HG23 ILE 24 3HG2 ILE 24 0.565 9.175 -1.142 177 HD11 ILE 24 3HD1 ILE 24 0.965 11.814 -2.014 178 HD12 ILE 24 1HD1 ILE 24 1.694 13.110 -1.065 179 HD13 ILE 24 2HD1 ILE 24 2.689 12.155 -2.165 180 H SER 25 H SER 25 -2.128 12.140 -0.119 181 HA SER 25 HA SER 25 -3.542 10.562 1.923 182 HB3 SER 25 2HB SER 25 -5.485 12.256 1.426 183 HG SER 25 HG SER 25 -4.967 12.671 3.409 184 H LYS 26 H LYS 26 -2.650 9.540 -0.499 185 HA LYS 26 HA LYS 26 -5.174 8.752 -1.684 186 HB3 LYS 26 2HB LYS 26 -4.128 9.129 -4.021 187 HG3 LYS 26 2HG LYS 26 -4.844 11.662 -2.577 188 HD3 LYS 26 2HD LYS 26 -4.158 11.442 -5.107 189 HE3 LYS 26 2HE LYS 26 -5.961 9.597 -5.342 190 HZ1 LYS 26 3HZ LYS 26 -7.628 11.480 -4.437 191 HZ2 LYS 26 1HZ LYS 26 -8.112 10.177 -5.403 192 HZ3 LYS 26 2HZ LYS 26 -7.813 11.686 -6.106 193 H ILE 27 H ILE 27 -5.028 6.820 -2.930 194 HA ILE 27 HA ILE 27 -3.054 5.004 -1.978 195 HB ILE 27 HB ILE 27 -5.211 4.729 -4.062 196 HG13 ILE 27 2HG1 ILE 27 -6.306 3.355 -2.394 197 HG21 ILE 27 1HG2 ILE 27 -4.711 2.272 -3.942 198 HG22 ILE 27 2HG2 ILE 27 -3.498 3.244 -4.774 199 HG23 ILE 27 3HG2 ILE 27 -3.205 2.691 -3.126 200 HD11 ILE 27 3HD1 ILE 27 -4.333 2.350 -1.340 201 HD12 ILE 27 1HD1 ILE 27 -3.968 3.900 -0.582 202 HD13 ILE 27 2HD1 ILE 27 -5.450 3.040 -0.163 203 H SER 28 H SER 28 -3.405 6.934 -4.852 204 HA SER 28 HA SER 28 -1.649 5.546 -6.551 205 HB3 SER 28 2HB SER 28 -2.787 8.290 -6.444 206 HG SER 28 HG SER 28 -0.490 7.592 -7.951 207 H GLU 29 H GLU 29 -1.051 8.397 -4.495 208 HA GLU 29 HA GLU 29 1.772 8.331 -4.954 209 HB3 GLU 29 2HB GLU 29 1.597 9.913 -2.810 210 HG3 GLU 29 2HG GLU 29 0.872 11.799 -4.330 211 H LEU 30 H LEU 30 -0.398 7.020 -2.559 212 HA LEU 30 HA LEU 30 1.539 6.432 -0.575 213 HB3 LEU 30 2HB LEU 30 -1.142 5.181 -1.151 214 HG LEU 30 HG LEU 30 0.556 3.945 0.487 215 HD11 LEU 30 1HD1 LEU 30 -0.339 6.354 1.940 216 HD12 LEU 30 2HD1 LEU 30 1.122 5.387 2.131 217 HD13 LEU 30 3HD1 LEU 30 -0.400 4.830 2.826 218 HD21 LEU 30 3HD2 LEU 30 -1.630 3.111 0.015 219 HD22 LEU 30 1HD2 LEU 30 -2.387 4.420 0.924 220 HD23 LEU 30 2HD2 LEU 30 -1.454 3.185 1.770 221 H LEU 31 H LEU 31 0.028 4.417 -3.091 222 HA LEU 31 HA LEU 31 1.624 2.130 -2.517 223 HB3 LEU 31 2HB LEU 31 0.802 1.449 -4.864 224 HG LEU 31 HG LEU 31 -1.333 2.068 -2.822 225 HD11 LEU 31 1HD1 LEU 31 -1.317 -0.017 -4.993 226 HD12 LEU 31 2HD1 LEU 31 -2.110 1.550 -5.141 227 HD13 LEU 31 3HD1 LEU 31 -2.645 0.405 -3.912 228 HD21 LEU 31 3HD2 LEU 31 -0.986 -0.305 -2.161 229 HD22 LEU 31 1HD2 LEU 31 0.382 0.746 -1.793 230 HD23 LEU 31 2HD2 LEU 31 0.450 -0.335 -3.185 231 H GLU 32 H GLU 32 1.880 4.814 -4.775 232 HA GLU 32 HA GLU 32 3.987 3.775 -6.341 233 HB3 GLU 32 2HB GLU 32 3.111 6.608 -5.777 234 HG3 GLU 32 2HG GLU 32 5.288 5.597 -7.545 235 H ARG 33 H ARG 33 3.951 5.807 -3.441 236 HA ARG 33 HA ARG 33 6.817 6.030 -3.354 237 HB3 ARG 33 2HB ARG 33 5.040 6.586 -1.006 238 HG3 ARG 33 2HG ARG 33 7.633 6.993 -1.194 239 HD3 ARG 33 2HD ARG 33 6.387 9.326 -2.618 240 HE ARG 33 HE ARG 33 9.134 9.625 -1.807 241 HH11 ARG 33 1HH1 ARG 33 5.811 10.294 -1.019 242 HH12 ARG 33 2HH1 ARG 33 6.186 11.659 -0.019 243 HH21 ARG 33 1HH2 ARG 33 9.642 11.420 -0.495 244 HH22 ARG 33 2HH2 ARG 33 8.366 12.299 0.276 245 H LEU 34 H LEU 34 4.390 3.932 -1.992 246 HA LEU 34 HA LEU 34 6.071 2.779 0.011 247 HB3 LEU 34 2HB LEU 34 3.476 1.886 -1.227 248 HG LEU 34 HG LEU 34 4.680 -0.077 -0.246 249 HD11 LEU 34 1HD1 LEU 34 5.932 0.889 1.511 250 HD12 LEU 34 2HD1 LEU 34 4.710 -0.127 2.275 251 HD13 LEU 34 3HD1 LEU 34 4.497 1.622 2.229 252 HD21 LEU 34 3HD2 LEU 34 2.338 -0.245 -0.365 253 HD22 LEU 34 1HD2 LEU 34 2.105 0.919 0.941 254 HD23 LEU 34 2HD2 LEU 34 2.748 -0.684 1.294 255 H LYS 35 H LYS 35 4.898 1.649 -3.155 256 HA LYS 35 HA LYS 35 6.203 -0.799 -3.225 257 HB3 LYS 35 2HB LYS 35 4.497 0.016 -4.865 258 HG3 LYS 35 2HG LYS 35 6.833 1.394 -6.173 259 HD3 LYS 35 2HD LYS 35 4.635 2.260 -7.459 260 HE3 LYS 35 2HE LYS 35 6.494 -0.015 -7.968 261 HZ1 LYS 35 3HZ LYS 35 5.458 -0.719 -9.840 262 HZ2 LYS 35 1HZ LYS 35 4.673 0.754 -10.118 263 HZ3 LYS 35 2HZ LYS 35 4.078 -0.316 -8.950 264 H VAL 36 H VAL 36 7.392 2.411 -4.081 265 HA VAL 36 HA VAL 36 9.920 1.460 -5.045 266 HB VAL 36 HB VAL 36 8.967 3.577 -5.849 267 HG11 VAL 36 1HG1 VAL 36 7.925 4.291 -3.743 268 HG12 VAL 36 2HG1 VAL 36 9.525 4.609 -3.070 269 HG13 VAL 36 3HG1 VAL 36 8.939 5.554 -4.438 270 HG21 VAL 36 3HG2 VAL 36 11.016 4.939 -5.660 271 HG22 VAL 36 1HG2 VAL 36 11.589 3.864 -4.386 272 HG23 VAL 36 2HG2 VAL 36 11.361 3.249 -6.022 273 H GLU 37 H GLU 37 8.677 2.690 -1.998 274 HA GLU 37 HA GLU 37 11.003 3.252 -0.633 275 HB3 GLU 37 2HB GLU 37 9.460 2.040 1.298 276 HG3 GLU 37 2HG GLU 37 9.467 4.806 0.177 277 H TYR 38 H TYR 38 9.357 0.105 -0.872 278 HA TYR 38 HA TYR 38 11.652 -1.205 0.359 279 HB3 TYR 38 2HB TYR 38 10.269 -3.180 0.463 280 HD1 TYR 38 2HD TYR 38 10.782 -0.814 2.254 281 HD2 TYR 38 1HD TYR 38 7.160 -2.491 0.779 282 HE1 TYR 38 2HE TYR 38 9.584 0.062 4.216 283 HE2 TYR 38 1HE TYR 38 5.952 -1.617 2.735 284 HH TYR 38 HH TYR 38 6.970 0.723 4.631 285 H GLY 39 H GLY 39 9.931 -1.065 -2.717 286 HA2 GLY 39 2HA GLY 39 11.530 -1.220 -4.660 287 HA3 GLY 39 3HA GLY 39 12.072 -2.713 -3.910 288 H SER 40 H SER 40 11.409 -3.158 -6.338 289 HA SER 40 HA SER 40 8.698 -3.437 -7.006 290 HB3 SER 40 2HB SER 40 9.761 -5.336 -8.545 291 HG SER 40 HG SER 40 10.260 -3.700 -9.995 292 H GLU 41 H GLU 41 10.879 -5.490 -5.206 293 HA GLU 41 HA GLU 41 9.593 -7.925 -5.281 294 HB3 GLU 41 2HB GLU 41 10.397 -7.956 -2.734 295 HG3 GLU 41 2HG GLU 41 11.431 -9.063 -4.834 296 H PHE 42 H PHE 42 8.798 -5.075 -3.366 297 HA PHE 42 HA PHE 42 6.729 -6.370 -1.868 298 HB3 PHE 42 2HB PHE 42 7.448 -3.463 -2.267 299 HD1 PHE 42 1HD PHE 42 6.040 -5.081 0.710 300 HD2 PHE 42 2HD PHE 42 5.300 -2.450 -2.553 301 HE1 PHE 42 1HE PHE 42 3.956 -4.339 1.785 302 HE2 PHE 42 2HE PHE 42 3.216 -1.702 -1.482 303 HZ PHE 42 HZ PHE 42 2.540 -2.646 0.690 304 H THR 43 H THR 43 6.796 -4.146 -4.632 305 HA THR 43 HA THR 43 4.060 -3.799 -4.974 306 HB THR 43 HB THR 43 5.498 -4.040 -7.509 307 HG1 THR 43 1HG THR 43 6.916 -2.270 -7.005 308 HG21 THR 43 3HG2 THR 43 3.751 -2.642 -7.801 309 HG22 THR 43 1HG2 THR 43 4.864 -1.420 -7.189 310 HG23 THR 43 2HG2 THR 43 3.704 -2.181 -6.100 311 H LYS 44 H LYS 44 6.182 -6.352 -6.204 312 HA LYS 44 HA LYS 44 4.112 -7.662 -7.684 313 HB3 LYS 44 2HB LYS 44 5.743 -9.444 -8.008 314 HG3 LYS 44 2HG LYS 44 6.861 -6.668 -8.219 315 HD3 LYS 44 2HD LYS 44 8.091 -9.277 -9.098 316 HE3 LYS 44 2HE LYS 44 9.851 -7.531 -9.991 317 HZ1 LYS 44 3HZ LYS 44 7.494 -8.675 -11.271 318 HZ2 LYS 44 1HZ LYS 44 9.132 -8.885 -11.636 319 HZ3 LYS 44 2HZ LYS 44 8.326 -7.484 -12.135 320 H GLN 45 H GLN 45 5.265 -7.775 -4.417 321 HA GLN 45 HA GLN 45 4.046 -10.309 -3.797 322 HB3 GLN 45 2HB GLN 45 4.975 -8.220 -1.831 323 HG3 GLN 45 2HG GLN 45 3.764 -10.519 -1.248 324 HE21 GLN 45 1HE2 GLN 45 5.525 -11.904 0.532 325 HE22 GLN 45 2HE2 GLN 45 6.428 -13.030 -0.419 326 H MET 46 H MET 46 3.073 -7.003 -3.862 327 HA MET 46 HA MET 46 0.584 -7.692 -2.446 328 HB3 MET 46 2HB MET 46 2.044 -5.862 -1.472 329 HG3 MET 46 2HG MET 46 1.990 -4.854 -4.074 330 HE1 MET 46 3HE MET 46 -0.496 -2.068 -1.364 331 HE2 MET 46 1HE MET 46 0.132 -3.645 -0.884 332 HE3 MET 46 2HE MET 46 1.238 -2.292 -1.125 333 H TYR 47 H TYR 47 1.713 -7.541 -5.444 334 HA TYR 47 HA TYR 47 -0.789 -7.362 -6.686 335 HB3 TYR 47 2HB TYR 47 0.741 -4.996 -7.598 336 HD1 TYR 47 2HD TYR 47 -2.555 -5.930 -6.083 337 HD2 TYR 47 1HD TYR 47 -0.488 -4.100 -9.321 338 HE1 TYR 47 2HE TYR 47 -4.707 -5.411 -7.157 339 HE2 TYR 47 1HE TYR 47 -2.634 -3.576 -10.403 340 HH TYR 47 HH TYR 47 -5.655 -3.964 -8.774 341 H ASP 48 H ASP 48 -0.323 -8.971 -8.050 342 HA ASP 48 HA ASP 48 2.185 -8.869 -9.572 343 HB3 ASP 48 2HB ASP 48 0.226 -11.144 -9.193 344 H GLY 49 H GLY 49 1.603 -7.341 -11.130 345 HA2 GLY 49 2HA GLY 49 0.993 -6.966 -13.351 346 HA3 GLY 49 3HA GLY 49 0.018 -8.427 -13.306 347 H ASN 50 H ASN 50 -2.124 -8.322 -12.652 348 HA ASN 50 HA ASN 50 -3.196 -5.594 -12.336 349 HB3 ASN 50 2HB ASN 50 -5.058 -6.140 -13.660 350 HD21 ASN 50 1HD2 ASN 50 -4.264 -8.707 -15.370 351 HD22 ASN 50 2HD2 ASN 50 -3.191 -8.017 -16.534 352 H ASN 51 H ASN 51 -2.834 -8.628 -10.921 353 HA ASN 51 HA ASN 51 -4.650 -7.884 -8.770 354 HB3 ASN 51 2HB ASN 51 -5.504 -10.296 -8.723 355 HD21 ASN 51 1HD2 ASN 51 -6.256 -10.059 -11.910 356 HD22 ASN 51 2HD2 ASN 51 -7.663 -9.062 -11.802 357 H LEU 52 H LEU 52 -4.343 -9.269 -6.833 358 HA LEU 52 HA LEU 52 -1.729 -9.374 -6.000 359 HB3 LEU 52 2HB LEU 52 -2.479 -10.782 -4.169 360 HG LEU 52 HG LEU 52 -3.874 -9.345 -3.124 361 HD11 LEU 52 1HD1 LEU 52 -2.208 -8.039 -4.572 362 HD12 LEU 52 2HD1 LEU 52 -3.563 -7.158 -3.866 363 HD13 LEU 52 3HD1 LEU 52 -3.606 -7.627 -5.565 364 HD21 LEU 52 3HD2 LEU 52 -6.016 -9.163 -3.690 365 HD22 LEU 52 1HD2 LEU 52 -5.651 -10.139 -5.112 366 HD23 LEU 52 2HD2 LEU 52 -5.614 -8.378 -5.218 367 H PHE 53 H PHE 53 -0.330 -11.190 -5.489 368 HA PHE 53 HA PHE 53 -0.080 -12.974 -7.726 369 HB3 PHE 53 2HB PHE 53 1.534 -12.905 -5.169 370 HD1 PHE 53 2HD PHE 53 1.618 -15.423 -5.398 371 HD2 PHE 53 1HD PHE 53 3.154 -12.771 -8.352 372 HE1 PHE 53 2HE PHE 53 2.980 -17.249 -6.324 373 HE2 PHE 53 1HE PHE 53 4.519 -14.593 -9.284 374 HZ PHE 53 HZ PHE 53 4.433 -16.837 -8.270 375 H LYS 54 H LYS 54 -0.133 -13.630 -4.220 376 HA LYS 54 HA LYS 54 -1.075 -16.329 -4.728 377 HB3 LYS 54 2HB LYS 54 -0.402 -14.907 -2.145 378 HG3 LYS 54 2HG LYS 54 -1.969 -16.817 -1.834 379 HD3 LYS 54 2HD LYS 54 -0.970 -18.120 -3.791 380 HE3 LYS 54 2HE LYS 54 1.054 -18.707 -1.640 381 HZ1 LYS 54 3HZ LYS 54 1.838 -20.493 -2.931 382 HZ2 LYS 54 1HZ LYS 54 0.810 -20.130 -4.225 383 HZ3 LYS 54 2HZ LYS 54 0.172 -20.743 -2.785 384 H ASN 55 H ASN 55 -2.160 -13.578 -2.728 385 HA ASN 55 HA ASN 55 -4.746 -13.386 -3.486 386 HB3 ASN 55 2HB ASN 55 -5.545 -14.896 -1.289 387 HD21 ASN 55 1HD2 ASN 55 -6.895 -13.724 -3.200 388 HD22 ASN 55 2HD2 ASN 55 -7.602 -14.859 -4.292 389 H VAL 56 H VAL 56 -2.916 -11.688 -2.431 390 HA VAL 56 HA VAL 56 -3.180 -11.202 0.343 391 HB VAL 56 HB VAL 56 -2.552 -9.092 -1.712 392 HG11 VAL 56 1HG1 VAL 56 -2.871 -8.406 0.648 393 HG12 VAL 56 2HG1 VAL 56 -1.547 -9.480 1.104 394 HG13 VAL 56 3HG1 VAL 56 -1.241 -8.101 0.047 395 HG21 VAL 56 3HG2 VAL 56 -0.114 -9.946 -1.011 396 HG22 VAL 56 1HG2 VAL 56 -0.992 -11.473 -0.908 397 HG23 VAL 56 2HG2 VAL 56 -0.977 -10.564 -2.419 398 H ILE 57 H ILE 57 -4.535 -9.900 1.493 399 HA ILE 57 HA ILE 57 -6.762 -8.665 0.007 400 HB ILE 57 HB ILE 57 -6.878 -9.987 2.720 401 HG13 ILE 57 2HG1 ILE 57 -6.774 -11.442 0.614 402 HG21 ILE 57 1HG2 ILE 57 -9.417 -9.588 2.230 403 HG22 ILE 57 2HG2 ILE 57 -8.429 -8.306 2.932 404 HG23 ILE 57 3HG2 ILE 57 -8.804 -8.288 1.209 405 HD11 ILE 57 3HD1 ILE 57 -8.140 -13.048 1.483 406 HD12 ILE 57 1HD1 ILE 57 -7.933 -12.009 2.893 407 HD13 ILE 57 2HD1 ILE 57 -9.401 -11.896 1.923 408 H ILE 58 H ILE 58 -6.428 -6.536 0.055 409 HA ILE 58 HA ILE 58 -5.746 -5.305 2.645 410 HB ILE 58 HB ILE 58 -3.835 -4.810 1.470 411 HG13 ILE 58 2HG1 ILE 58 -5.157 -2.723 2.124 412 HG21 ILE 58 1HG2 ILE 58 -4.288 -5.876 -0.590 413 HG22 ILE 58 2HG2 ILE 58 -5.556 -4.719 -0.994 414 HG23 ILE 58 3HG2 ILE 58 -3.868 -4.210 -0.985 415 HD11 ILE 58 3HD1 ILE 58 -3.010 -2.689 0.050 416 HD12 ILE 58 1HD1 ILE 58 -3.747 -1.189 0.611 417 HD13 ILE 58 2HD1 ILE 58 -2.926 -2.251 1.756 418 H LEU 59 H LEU 59 -6.995 -3.650 3.328 419 HA LEU 59 HA LEU 59 -9.053 -2.643 1.476 420 HB3 LEU 59 2HB LEU 59 -10.397 -2.348 3.680 421 HG LEU 59 HG LEU 59 -10.019 -5.080 2.464 422 HD11 LEU 59 1HD1 LEU 59 -12.219 -4.185 4.317 423 HD12 LEU 59 2HD1 LEU 59 -10.853 -5.186 4.807 424 HD13 LEU 59 3HD1 LEU 59 -11.998 -5.785 3.607 425 HD21 LEU 59 3HD2 LEU 59 -11.203 -2.784 1.468 426 HD22 LEU 59 1HD2 LEU 59 -12.556 -3.726 2.096 427 HD23 LEU 59 2HD2 LEU 59 -11.468 -4.434 0.901 428 H VAL 60 H VAL 60 -9.935 -0.510 2.087 429 HA VAL 60 HA VAL 60 -8.098 1.132 3.677 430 HB VAL 60 HB VAL 60 -7.313 1.468 1.434 431 HG11 VAL 60 1HG1 VAL 60 -10.110 1.231 0.781 432 HG12 VAL 60 2HG1 VAL 60 -9.412 2.676 0.048 433 HG13 VAL 60 3HG1 VAL 60 -8.699 1.094 -0.265 434 HG21 VAL 60 3HG2 VAL 60 -8.910 3.922 1.585 435 HG22 VAL 60 1HG2 VAL 60 -8.104 3.476 3.090 436 HG23 VAL 60 2HG2 VAL 60 -7.160 3.701 1.618 437 H ASN 61 H ASN 61 -9.122 2.513 4.984 438 HA ASN 61 HA ASN 61 -10.821 3.563 6.077 439 HB3 ASN 61 2HB ASN 61 -11.999 4.052 3.342 440 HD21 ASN 61 1HD2 ASN 61 -13.013 6.130 3.206 441 HD22 ASN 61 2HD2 ASN 61 -13.714 6.841 4.616 442 H GLY 62 H GLY 62 -11.117 0.693 5.447 443 HA2 GLY 62 2HA GLY 62 -12.690 -0.939 5.820 444 HA3 GLY 62 3HA GLY 62 -13.745 0.331 6.421 445 H ASN 63 H ASN 63 -12.360 -0.095 3.183 446 HA ASN 63 HA ASN 63 -14.612 -1.186 1.944 447 HB3 ASN 63 2HB ASN 63 -14.883 1.352 0.785 448 HD21 ASN 63 1HD2 ASN 63 -16.982 2.249 2.600 449 HD22 ASN 63 2HD2 ASN 63 -18.272 1.111 2.436 450 H ASN 64 H ASN 64 -13.781 -2.085 0.187 451 HA ASN 64 HA ASN 64 -11.251 -1.664 -0.812 452 HB3 ASN 64 2HB ASN 64 -12.253 -3.654 -1.503 453 HD21 ASN 64 1HD2 ASN 64 -14.157 -2.054 -3.869 454 HD22 ASN 64 2HD2 ASN 64 -15.702 -2.559 -3.286 455 H ILE 65 H ILE 65 -10.349 -0.461 -2.447 456 HA ILE 65 HA ILE 65 -11.461 2.078 -2.966 457 HB ILE 65 HB ILE 65 -9.610 2.308 -4.636 458 HG13 ILE 65 2HG1 ILE 65 -9.541 -0.089 -5.290 459 HG21 ILE 65 1HG2 ILE 65 -8.318 1.210 -2.213 460 HG22 ILE 65 2HG2 ILE 65 -8.114 2.774 -2.998 461 HG23 ILE 65 3HG2 ILE 65 -9.519 2.480 -1.974 462 HD11 ILE 65 3HD1 ILE 65 -7.000 -0.404 -5.025 463 HD12 ILE 65 1HD1 ILE 65 -7.599 0.946 -5.988 464 HD13 ILE 65 2HD1 ILE 65 -7.032 1.221 -4.339 465 H THR 66 H THR 66 -11.611 -0.955 -4.666 466 HA THR 66 HA THR 66 -12.310 -0.083 -7.223 467 HB THR 66 HB THR 66 -13.506 -2.296 -7.427 468 HG1 THR 66 1HG THR 66 -12.417 -3.019 -4.945 469 HG21 THR 66 3HG2 THR 66 -10.688 -2.278 -6.343 470 HG22 THR 66 1HG2 THR 66 -11.173 -2.124 -8.031 471 HG23 THR 66 2HG2 THR 66 -11.434 -3.643 -7.174 472 H SER 67 H SER 67 -14.148 -0.179 -4.282 473 HA SER 67 HA SER 67 -16.753 -0.267 -5.138 474 HB3 SER 67 2HB SER 67 -16.019 1.784 -3.085 475 HG SER 67 HG SER 67 -18.220 0.824 -3.706 476 H MET 68 H MET 68 -14.634 2.580 -5.017 477 HA MET 68 HA MET 68 -16.536 3.957 -6.798 478 HB3 MET 68 2HB MET 68 -16.656 5.419 -5.077 479 HG3 MET 68 2HG MET 68 -14.070 4.252 -4.151 480 HE1 MET 68 3HE MET 68 -12.406 6.065 -4.312 481 HE2 MET 68 1HE MET 68 -13.457 7.268 -5.059 482 HE3 MET 68 2HE MET 68 -12.526 7.683 -3.620 483 H LYS 69 H LYS 69 -13.204 4.681 -5.804 484 HA LYS 69 HA LYS 69 -12.416 4.535 -8.640 485 HB3 LYS 69 2HB LYS 69 -10.644 6.302 -7.796 486 HG3 LYS 69 2HG LYS 69 -12.247 8.172 -8.279 487 HD3 LYS 69 2HD LYS 69 -11.966 5.824 -10.134 488 HE3 LYS 69 2HE LYS 69 -14.030 7.260 -10.607 489 HZ1 LYS 69 3HZ LYS 69 -13.297 9.432 -10.250 490 HZ2 LYS 69 1HZ LYS 69 -13.354 9.296 -11.935 491 HZ3 LYS 69 2HZ LYS 69 -11.869 9.210 -11.129 492 H GLY 70 H GLY 70 -10.689 3.313 -9.115 493 HA2 GLY 70 2HA GLY 70 -9.596 1.532 -7.252 494 HA3 GLY 70 3HA GLY 70 -8.921 1.877 -8.838 495 H LEU 71 H LEU 71 -7.158 3.192 -9.019 496 HA LEU 71 HA LEU 71 -5.625 3.621 -6.637 497 HB3 LEU 71 2HB LEU 71 -4.980 4.697 -9.365 498 HG LEU 71 HG LEU 71 -3.460 5.018 -7.216 499 HD11 LEU 71 1HD1 LEU 71 -3.426 2.557 -6.787 500 HD12 LEU 71 2HD1 LEU 71 -1.833 3.299 -6.937 501 HD13 LEU 71 3HD1 LEU 71 -2.503 2.367 -8.277 502 HD21 LEU 71 3HD2 LEU 71 -2.932 5.848 -9.432 503 HD22 LEU 71 1HD2 LEU 71 -2.450 4.232 -9.948 504 HD23 LEU 71 2HD2 LEU 71 -1.512 5.081 -8.718 505 H ASP 72 H ASP 72 -7.943 5.427 -8.312 506 HA ASP 72 HA ASP 72 -6.914 8.032 -7.614 507 HB3 ASP 72 2HB ASP 72 -9.519 8.475 -8.278 508 H THR 73 H THR 73 -8.087 5.672 -5.764 509 HA THR 73 HA THR 73 -10.146 6.812 -4.244 510 HB THR 73 HB THR 73 -8.278 4.564 -3.920 511 HG1 THR 73 1HG THR 73 -10.996 4.960 -3.145 512 HG21 THR 73 3HG2 THR 73 -9.402 5.999 -1.517 513 HG22 THR 73 1HG2 THR 73 -7.714 5.613 -1.848 514 HG23 THR 73 2HG2 THR 73 -8.860 4.322 -1.485 515 H GLU 74 H GLU 74 -10.188 8.109 -2.459 516 HA GLU 74 HA GLU 74 -7.664 9.461 -1.794 517 HB3 GLU 74 2HB GLU 74 -9.338 10.978 -2.630 518 HG3 GLU 74 2HG GLU 74 -11.127 9.752 -0.561 519 H ILE 75 H ILE 75 -6.943 9.600 0.286 520 HA ILE 75 HA ILE 75 -8.528 8.209 2.344 521 HB ILE 75 HB ILE 75 -6.304 7.520 3.342 522 HG13 ILE 75 2HG1 ILE 75 -4.888 9.060 2.051 523 HG21 ILE 75 1HG2 ILE 75 -7.096 6.376 0.668 524 HG22 ILE 75 2HG2 ILE 75 -6.084 5.569 1.863 525 HG23 ILE 75 3HG2 ILE 75 -7.768 5.933 2.237 526 HD11 ILE 75 3HD1 ILE 75 -4.071 6.700 2.785 527 HD12 ILE 75 1HD1 ILE 75 -4.059 6.382 1.051 528 HD13 ILE 75 2HD1 ILE 75 -3.082 7.692 1.714 529 H LYS 76 H LYS 76 -8.888 9.342 4.136 530 HA LYS 76 HA LYS 76 -7.430 11.860 4.506 531 HB3 LYS 76 2HB LYS 76 -9.282 12.524 5.955 532 HG3 LYS 76 2HG LYS 76 -11.190 12.402 4.369 533 HD3 LYS 76 2HD LYS 76 -9.805 13.393 2.386 534 HE3 LYS 76 2HE LYS 76 -9.474 14.738 5.053 535 HZ1 LYS 76 3HZ LYS 76 -10.531 16.368 3.050 536 HZ2 LYS 76 1HZ LYS 76 -9.208 15.551 2.382 537 HZ3 LYS 76 2HZ LYS 76 -9.012 16.473 3.786 538 H ASP 77 H ASP 77 -7.317 12.496 6.948 539 HA ASP 77 HA ASP 77 -5.415 10.937 8.192 540 HB3 ASP 77 2HB ASP 77 -6.897 12.266 10.233 541 H ASP 78 H ASP 78 -8.884 10.653 8.289 542 HA ASP 78 HA ASP 78 -8.941 8.863 10.536 543 HB3 ASP 78 2HB ASP 78 -11.317 8.571 9.958 544 H ASP 79 H ASP 79 -9.206 8.523 7.017 545 HA ASP 79 HA ASP 79 -9.756 5.828 6.823 546 HB3 ASP 79 2HB ASP 79 -8.468 5.942 4.638 547 H LYS 80 H LYS 80 -8.452 3.970 6.507 548 HA LYS 80 HA LYS 80 -5.637 4.135 7.228 549 HB3 LYS 80 2HB LYS 80 -6.906 3.888 9.371 550 HG3 LYS 80 2HG LYS 80 -7.535 1.105 8.424 551 HD3 LYS 80 2HD LYS 80 -7.178 1.693 10.905 552 HE3 LYS 80 2HE LYS 80 -9.781 3.086 10.322 553 HZ1 LYS 80 3HZ LYS 80 -10.066 1.631 12.240 554 HZ2 LYS 80 1HZ LYS 80 -10.073 3.259 12.703 555 HZ3 LYS 80 2HZ LYS 80 -8.702 2.307 12.977 556 H ILE 81 H ILE 81 -4.418 2.568 6.296 557 HA ILE 81 HA ILE 81 -5.850 0.633 4.610 558 HB ILE 81 HB ILE 81 -2.999 1.607 4.392 559 HG13 ILE 81 2HG1 ILE 81 -5.565 2.537 3.270 560 HG21 ILE 81 1HG2 ILE 81 -2.718 -0.306 3.266 561 HG22 ILE 81 2HG2 ILE 81 -4.452 -0.601 3.151 562 HG23 ILE 81 3HG2 ILE 81 -3.661 0.470 1.995 563 HD11 ILE 81 3HD1 ILE 81 -4.587 4.630 3.245 564 HD12 ILE 81 1HD1 ILE 81 -3.853 3.866 4.655 565 HD13 ILE 81 2HD1 ILE 81 -2.952 3.976 3.142 566 H ASP 82 H ASP 82 -5.456 -1.529 4.733 567 HA ASP 82 HA ASP 82 -3.444 -2.449 6.670 568 HB3 ASP 82 2HB ASP 82 -5.239 -4.306 7.162 569 H LEU 83 H LEU 83 -2.395 -4.332 6.157 570 HA LEU 83 HA LEU 83 -3.037 -5.485 3.523 571 HB3 LEU 83 2HB LEU 83 -0.339 -5.596 4.831 572 HG LEU 83 HG LEU 83 0.506 -5.612 2.492 573 HD11 LEU 83 1HD1 LEU 83 0.184 -7.669 3.866 574 HD12 LEU 83 2HD1 LEU 83 0.104 -7.936 2.125 575 HD13 LEU 83 3HD1 LEU 83 -1.379 -7.887 3.079 576 HD21 LEU 83 3HD2 LEU 83 -2.358 -6.159 1.732 577 HD22 LEU 83 1HD2 LEU 83 -0.964 -6.024 0.660 578 HD23 LEU 83 2HD2 LEU 83 -1.563 -4.600 1.511 579 H PHE 84 H PHE 84 -3.887 -7.444 3.650 580 HA PHE 84 HA PHE 84 -3.086 -9.187 5.886 581 HB3 PHE 84 2HB PHE 84 -5.230 -10.254 5.750 582 HD1 PHE 84 2HD PHE 84 -4.278 -8.192 7.506 583 HD2 PHE 84 1HD PHE 84 -7.408 -8.034 4.627 584 HE1 PHE 84 2HE PHE 84 -5.360 -6.393 8.788 585 HE2 PHE 84 1HE PHE 84 -8.496 -6.233 5.904 586 HZ PHE 84 HZ PHE 84 -7.473 -5.411 7.988 587 HA PRO 85 HA PRO 85 -1.177 -11.827 2.905 588 HB3 PRO 85 2HB PRO 85 0.097 -12.606 4.651 589 HG3 PRO 85 2HG PRO 85 -0.777 -12.752 6.801 590 HD3 PRO 85 2HD PRO 85 -1.364 -10.585 6.280 591 HA PRO 86 HA PRO 86 -4.243 -14.403 1.088 592 HB3 PRO 86 2HB PRO 86 -2.745 -14.825 -0.602 593 HG3 PRO 86 2HG PRO 86 -0.479 -15.093 -0.157 594 HD3 PRO 86 2HD PRO 86 -0.877 -13.128 0.979 595 H VAL 87 H VAL 87 -5.523 -16.207 1.441 596 HA VAL 87 HA VAL 87 -5.557 -17.343 3.977 597 HB VAL 87 HB VAL 87 -7.176 -18.964 3.091 598 HG11 VAL 87 1HG1 VAL 87 -7.767 -16.336 1.778 599 HG12 VAL 87 2HG1 VAL 87 -8.864 -17.427 2.625 600 HG13 VAL 87 3HG1 VAL 87 -7.684 -16.480 3.533 601 HG21 VAL 87 3HG2 VAL 87 -7.780 -18.727 0.634 602 HG22 VAL 87 1HG2 VAL 87 -6.227 -17.914 0.438 603 HG23 VAL 87 2HG2 VAL 87 -6.284 -19.586 0.999 604 H ALA 88 H ALA 88 -3.848 -18.313 1.111 605 HA ALA 88 HA ALA 88 -2.962 -20.776 2.459 606 HB1 ALA 88 1HB ALA 88 -2.215 -21.460 0.147 607 HB2 ALA 88 2HB ALA 88 -3.959 -21.341 0.390 608 HB3 ALA 88 3HB ALA 88 -3.097 -20.057 -0.458 609 H GLY 89 H GLY 89 -1.827 -18.411 3.318 610 HA2 GLY 89 2HA GLY 89 0.459 -17.522 2.011 611 HA3 GLY 89 3HA GLY 89 0.235 -17.505 3.754 612 H GLY 90 H GLY 90 2.735 -17.880 2.635 613 HA2 GLY 90 2HA GLY 90 3.884 -19.885 4.007 614 HA3 GLY 90 3HA GLY 90 3.308 -20.721 2.571 Start of MODEL 10 1 H1 MET 1 H MET 1 -3.832 11.865 6.900 2 HA MET 1 HA MET 1 -1.126 11.248 7.303 3 HB3 MET 1 2HB MET 1 -2.906 10.927 9.718 4 HG3 MET 1 2HG MET 1 -0.344 9.538 9.052 5 HE1 MET 1 3HE MET 1 -2.317 9.480 12.855 6 HE2 MET 1 1HE MET 1 -2.102 8.193 11.668 7 HE3 MET 1 2HE MET 1 -1.021 8.300 13.057 8 H VAL 2 H VAL 2 -0.682 9.070 6.939 9 HA VAL 2 HA VAL 2 -3.017 7.349 6.429 10 HB VAL 2 HB VAL 2 -1.826 6.385 4.491 11 HG11 VAL 2 1HG1 VAL 2 -2.074 8.396 2.992 12 HG12 VAL 2 2HG1 VAL 2 -3.476 8.018 3.997 13 HG13 VAL 2 3HG1 VAL 2 -2.398 9.340 4.446 14 HG21 VAL 2 3HG2 VAL 2 0.371 6.723 4.339 15 HG22 VAL 2 1HG2 VAL 2 0.003 8.361 3.797 16 HG23 VAL 2 2HG2 VAL 2 0.314 8.046 5.505 17 H THR 3 H THR 3 -2.920 5.375 7.300 18 HA THR 3 HA THR 3 -0.342 4.493 8.423 19 HB THR 3 HB THR 3 -2.986 3.488 9.428 20 HG1 THR 3 1HG THR 3 -3.235 5.240 10.675 21 HG21 THR 3 3HG2 THR 3 -0.156 3.541 10.355 22 HG22 THR 3 1HG2 THR 3 -1.343 2.240 10.429 23 HG23 THR 3 2HG2 THR 3 -1.434 3.581 11.569 24 H VAL 4 H VAL 4 0.440 2.541 7.869 25 HA VAL 4 HA VAL 4 -1.315 0.719 6.360 26 HB VAL 4 HB VAL 4 0.754 0.092 5.025 27 HG11 VAL 4 1HG1 VAL 4 -0.346 1.232 3.471 28 HG12 VAL 4 2HG1 VAL 4 -1.103 2.235 4.711 29 HG13 VAL 4 3HG1 VAL 4 0.446 2.711 4.014 30 HG21 VAL 4 3HG2 VAL 4 1.730 2.685 6.214 31 HG22 VAL 4 1HG2 VAL 4 2.454 1.089 6.401 32 HG23 VAL 4 2HG2 VAL 4 2.465 1.883 4.826 33 H ARG 5 H ARG 5 -1.084 -1.439 6.768 34 HA ARG 5 HA ARG 5 0.847 -2.166 8.872 35 HB3 ARG 5 2HB ARG 5 -0.939 -4.107 9.156 36 HG3 ARG 5 2HG ARG 5 -1.838 -1.472 10.220 37 HD3 ARG 5 2HD ARG 5 -2.979 -3.545 10.892 38 HE ARG 5 HE ARG 5 -1.630 -5.352 11.219 39 HH11 ARG 5 1HH1 ARG 5 -0.147 -2.575 12.706 40 HH12 ARG 5 2HH1 ARG 5 1.148 -3.484 13.415 41 HH21 ARG 5 1HH2 ARG 5 0.070 -6.558 12.148 42 HH22 ARG 5 2HH2 ARG 5 1.270 -5.748 13.097 43 H TYR 6 H TYR 6 1.687 -4.347 8.812 44 HA TYR 6 HA TYR 6 1.489 -5.715 6.234 45 HB3 TYR 6 2HB TYR 6 3.860 -5.842 5.926 46 HD1 TYR 6 2HD TYR 6 2.395 -4.309 4.307 47 HD2 TYR 6 1HD TYR 6 4.738 -2.885 7.561 48 HE1 TYR 6 2HE TYR 6 2.488 -2.085 3.260 49 HE2 TYR 6 1HE TYR 6 4.836 -0.657 6.524 50 HH TYR 6 HH TYR 6 2.877 0.203 3.830 51 H TYR 7 H TYR 7 1.497 -7.882 6.402 52 HA TYR 7 HA TYR 7 1.677 -9.020 9.076 53 HB3 TYR 7 2HB TYR 7 1.035 -11.108 7.420 54 HD1 TYR 7 2HD TYR 7 -0.925 -8.026 8.246 55 HD2 TYR 7 1HD TYR 7 -0.403 -12.206 8.838 56 HE1 TYR 7 2HE TYR 7 -2.879 -8.052 9.740 57 HE2 TYR 7 1HE TYR 7 -2.356 -12.245 10.333 58 HH TYR 7 HH TYR 7 -3.728 -9.493 11.635 59 H ALA 8 H ALA 8 2.510 -11.491 8.863 60 HA ALA 8 HA ALA 8 5.261 -11.407 8.819 61 HB1 ALA 8 1HB ALA 8 4.637 -13.311 9.843 62 HB2 ALA 8 2HB ALA 8 3.237 -13.543 8.795 63 HB3 ALA 8 3HB ALA 8 4.843 -14.009 8.236 64 H THR 9 H THR 9 3.044 -11.924 6.165 65 HA THR 9 HA THR 9 4.809 -12.988 4.272 66 HB THR 9 HB THR 9 3.260 -12.050 2.560 67 HG1 THR 9 1HG THR 9 2.297 -10.707 4.840 68 HG21 THR 9 3HG2 THR 9 2.836 -14.208 3.767 69 HG22 THR 9 1HG2 THR 9 1.387 -13.422 3.143 70 HG23 THR 9 2HG2 THR 9 1.776 -13.320 4.861 71 H LEU 10 H LEU 10 4.043 -9.621 5.072 72 HA LEU 10 HA LEU 10 6.242 -8.759 3.318 73 HB3 LEU 10 2HB LEU 10 5.199 -6.496 3.527 74 HG LEU 10 HG LEU 10 3.648 -8.720 2.268 75 HD11 LEU 10 1HD1 LEU 10 2.695 -6.041 1.618 76 HD12 LEU 10 2HD1 LEU 10 2.333 -6.536 3.271 77 HD13 LEU 10 3HD1 LEU 10 1.793 -7.528 1.916 78 HD21 LEU 10 3HD2 LEU 10 4.251 -6.616 0.506 79 HD22 LEU 10 1HD2 LEU 10 5.005 -8.207 0.591 80 HD23 LEU 10 2HD2 LEU 10 5.686 -6.860 1.502 81 H ARG 11 H ARG 11 6.266 -9.803 6.182 82 HA ARG 11 HA ARG 11 6.967 -7.648 7.881 83 HB3 ARG 11 2HB ARG 11 7.139 -10.604 7.983 84 HG3 ARG 11 2HG ARG 11 8.862 -8.831 9.686 85 HD3 ARG 11 2HD ARG 11 7.692 -10.161 11.261 86 HE ARG 11 HE ARG 11 6.693 -12.031 10.412 87 HH11 ARG 11 1HH1 ARG 11 10.053 -12.038 9.504 88 HH12 ARG 11 2HH1 ARG 11 10.001 -13.631 8.824 89 HH21 ARG 11 1HH2 ARG 11 6.612 -14.130 9.520 90 HH22 ARG 11 2HH2 ARG 11 8.043 -14.820 8.833 91 HA PRO 12 HA PRO 12 11.542 -8.877 6.929 92 HB3 PRO 12 2HB PRO 12 11.713 -11.136 6.538 93 HG3 PRO 12 2HG PRO 12 10.007 -12.302 5.474 94 HD3 PRO 12 2HD PRO 12 8.785 -11.191 7.082 95 H ILE 13 H ILE 13 9.135 -8.086 4.677 96 HA ILE 13 HA ILE 13 11.000 -7.034 2.698 97 HB ILE 13 HB ILE 13 8.003 -6.753 2.639 98 HG13 ILE 13 2HG1 ILE 13 8.535 -9.129 2.918 99 HG21 ILE 13 1HG2 ILE 13 8.276 -6.425 0.304 100 HG22 ILE 13 2HG2 ILE 13 9.464 -5.398 1.105 101 HG23 ILE 13 3HG2 ILE 13 9.968 -6.917 0.365 102 HD11 ILE 13 3HD1 ILE 13 7.202 -8.080 0.634 103 HD12 ILE 13 1HD1 ILE 13 8.062 -9.550 0.177 104 HD13 ILE 13 2HD1 ILE 13 6.902 -9.583 1.505 105 H THR 14 H THR 14 8.872 -5.949 5.242 106 HA THR 14 HA THR 14 9.328 -3.147 4.534 107 HB THR 14 HB THR 14 7.673 -4.040 6.874 108 HG1 THR 14 1HG THR 14 6.089 -4.672 5.585 109 HG21 THR 14 3HG2 THR 14 6.715 -1.873 5.185 110 HG22 THR 14 1HG2 THR 14 8.329 -1.568 5.825 111 HG23 THR 14 2HG2 THR 14 6.994 -1.907 6.925 112 H LYS 15 H LYS 15 11.255 -5.166 5.846 113 HA LYS 15 HA LYS 15 12.966 -5.079 7.341 114 HB3 LYS 15 2HB LYS 15 12.316 -2.224 7.977 115 HG3 LYS 15 2HG LYS 15 14.952 -3.509 7.308 116 HD3 LYS 15 2HD LYS 15 15.774 -1.504 8.617 117 HE3 LYS 15 2HE LYS 15 15.173 0.116 6.675 118 HZ1 LYS 15 3HZ LYS 15 16.737 -2.361 6.529 119 HZ2 LYS 15 1HZ LYS 15 17.263 -0.753 6.494 120 HZ3 LYS 15 2HZ LYS 15 16.547 -1.439 5.124 121 H LYS 16 H LYS 16 10.116 -5.547 8.171 122 HA LYS 16 HA LYS 16 8.901 -5.901 10.065 123 HB3 LYS 16 2HB LYS 16 10.075 -6.819 11.902 124 HG3 LYS 16 2HG LYS 16 12.216 -7.318 9.914 125 HD3 LYS 16 2HD LYS 16 10.451 -9.324 11.269 126 HE3 LYS 16 2HE LYS 16 13.408 -9.412 10.722 127 HZ1 LYS 16 3HZ LYS 16 11.487 -11.206 11.825 128 HZ2 LYS 16 1HZ LYS 16 13.174 -11.325 11.795 129 HZ3 LYS 16 2HZ LYS 16 12.263 -11.888 10.486 130 H LYS 17 H LYS 17 8.242 -3.580 9.738 131 HA LYS 17 HA LYS 17 8.129 -2.262 12.216 132 HB3 LYS 17 2HB LYS 17 9.676 -0.576 10.297 133 HG3 LYS 17 2HG LYS 17 9.322 -0.701 13.262 134 HD3 LYS 17 2HD LYS 17 11.799 -0.566 12.560 135 HE3 LYS 17 2HE LYS 17 12.366 1.921 12.150 136 HZ1 LYS 17 3HZ LYS 17 11.163 0.736 9.756 137 HZ2 LYS 17 1HZ LYS 17 12.416 -0.108 10.520 138 HZ3 LYS 17 2HZ LYS 17 12.677 1.464 9.955 139 H GLU 18 H GLU 18 6.616 -0.604 12.224 140 HA GLU 18 HA GLU 18 5.425 0.094 9.627 141 HB3 GLU 18 2HB GLU 18 4.006 -0.831 12.121 142 HG3 GLU 18 2HG GLU 18 1.952 -0.485 10.527 143 H GLU 19 H GLU 19 4.625 2.164 9.432 144 HA GLU 19 HA GLU 19 4.478 3.920 11.719 145 HB3 GLU 19 2HB GLU 19 6.062 5.549 10.337 146 HG3 GLU 19 2HG GLU 19 7.490 3.430 11.875 147 H THR 20 H THR 20 3.741 6.112 11.100 148 HA THR 20 HA THR 20 1.940 5.929 8.792 149 HB THR 20 HB THR 20 0.892 8.008 9.894 150 HG1 THR 20 1HG THR 20 1.369 7.714 12.325 151 HG21 THR 20 3HG2 THR 20 -0.361 6.607 11.514 152 HG22 THR 20 1HG2 THR 20 0.811 5.314 11.257 153 HG23 THR 20 2HG2 THR 20 -0.211 5.856 9.926 154 H PHE 21 H PHE 21 1.494 8.035 7.654 155 HA PHE 21 HA PHE 21 3.790 9.837 7.554 156 HB3 PHE 21 2HB PHE 21 3.973 9.658 5.120 157 HD1 PHE 21 2HD PHE 21 6.011 9.069 6.702 158 HD2 PHE 21 1HD PHE 21 3.313 6.232 5.031 159 HE1 PHE 21 2HE PHE 21 7.699 7.302 6.985 160 HE2 PHE 21 1HE PHE 21 4.997 4.460 5.313 161 HZ PHE 21 HZ PHE 21 7.193 4.994 6.290 162 H ASN 22 H ASN 22 3.308 11.903 6.885 163 HA ASN 22 HA ASN 22 0.443 12.464 6.507 164 HB3 ASN 22 2HB ASN 22 1.745 13.421 8.518 165 HD21 ASN 22 1HD2 ASN 22 3.881 13.786 8.659 166 HD22 ASN 22 2HD2 ASN 22 4.701 15.097 7.887 167 H GLY 23 H GLY 23 -0.075 14.366 5.144 168 HA2 GLY 23 2HA GLY 23 0.605 15.903 3.408 169 HA3 GLY 23 3HA GLY 23 1.909 14.795 3.006 170 H ILE 24 H ILE 24 1.297 12.701 2.069 171 HA ILE 24 HA ILE 24 -0.501 13.039 -0.084 172 HB ILE 24 HB ILE 24 0.835 10.560 0.998 173 HG13 ILE 24 2HG1 ILE 24 2.294 10.822 -0.961 174 HG21 ILE 24 1HG2 ILE 24 -1.108 9.794 -0.129 175 HG22 ILE 24 2HG2 ILE 24 -0.869 10.932 -1.455 176 HG23 ILE 24 3HG2 ILE 24 0.242 9.578 -1.242 177 HD11 ILE 24 3HD1 ILE 24 1.930 12.196 -2.657 178 HD12 ILE 24 1HD1 ILE 24 0.322 12.472 -1.987 179 HD13 ILE 24 2HD1 ILE 24 1.647 13.563 -1.578 180 H SER 25 H SER 25 -2.610 12.626 -0.278 181 HA SER 25 HA SER 25 -3.924 11.049 1.835 182 HB3 SER 25 2HB SER 25 -4.670 13.191 2.352 183 HG SER 25 HG SER 25 -5.163 14.739 0.755 184 H LYS 26 H LYS 26 -2.983 10.002 -0.605 185 HA LYS 26 HA LYS 26 -5.481 8.978 -1.671 186 HB3 LYS 26 2HB LYS 26 -4.448 9.308 -4.051 187 HG3 LYS 26 2HG LYS 26 -5.398 11.884 -2.891 188 HD3 LYS 26 2HD LYS 26 -6.784 10.709 -5.165 189 HE3 LYS 26 2HE LYS 26 -5.753 12.976 -6.096 190 HZ1 LYS 26 3HZ LYS 26 -7.691 14.069 -5.373 191 HZ2 LYS 26 1HZ LYS 26 -7.849 13.087 -4.005 192 HZ3 LYS 26 2HZ LYS 26 -8.131 12.445 -5.545 193 H ILE 27 H ILE 27 -5.241 6.998 -2.817 194 HA ILE 27 HA ILE 27 -3.104 5.378 -1.849 195 HB ILE 27 HB ILE 27 -5.261 4.783 -3.874 196 HG13 ILE 27 2HG1 ILE 27 -6.358 3.609 -2.069 197 HG21 ILE 27 1HG2 ILE 27 -3.261 2.940 -2.577 198 HG22 ILE 27 2HG2 ILE 27 -4.668 2.409 -3.496 199 HG23 ILE 27 3HG2 ILE 27 -3.391 3.327 -4.292 200 HD11 ILE 27 3HD1 ILE 27 -5.054 4.376 0.257 201 HD12 ILE 27 1HD1 ILE 27 -5.188 2.745 -0.401 202 HD13 ILE 27 2HD1 ILE 27 -3.783 3.740 -0.787 203 H SER 28 H SER 28 -3.668 7.176 -4.751 204 HA SER 28 HA SER 28 -1.981 5.806 -6.524 205 HB3 SER 28 2HB SER 28 -2.073 8.760 -6.755 206 HG SER 28 HG SER 28 -1.430 7.496 -8.505 207 H GLU 29 H GLU 29 -1.301 8.662 -4.502 208 HA GLU 29 HA GLU 29 1.491 8.639 -5.124 209 HB3 GLU 29 2HB GLU 29 1.429 10.204 -2.968 210 HG3 GLU 29 2HG GLU 29 0.711 10.719 -5.775 211 H LEU 30 H LEU 30 -0.515 7.290 -2.605 212 HA LEU 30 HA LEU 30 1.540 6.713 -0.747 213 HB3 LEU 30 2HB LEU 30 -0.962 5.088 -1.059 214 HG LEU 30 HG LEU 30 0.531 6.002 1.397 215 HD11 LEU 30 1HD1 LEU 30 -1.976 6.082 1.584 216 HD12 LEU 30 2HD1 LEU 30 -1.163 5.002 2.716 217 HD13 LEU 30 3HD1 LEU 30 -1.976 4.341 1.297 218 HD21 LEU 30 3HD2 LEU 30 0.510 3.450 1.742 219 HD22 LEU 30 1HD2 LEU 30 1.652 4.133 0.583 220 HD23 LEU 30 2HD2 LEU 30 0.168 3.369 0.012 221 H LEU 31 H LEU 31 -0.094 4.668 -3.164 222 HA LEU 31 HA LEU 31 1.548 2.402 -2.710 223 HB3 LEU 31 2HB LEU 31 0.667 1.848 -5.117 224 HG LEU 31 HG LEU 31 -1.318 2.121 -2.861 225 HD11 LEU 31 1HD1 LEU 31 -1.386 0.362 -5.307 226 HD12 LEU 31 2HD1 LEU 31 -2.342 1.827 -5.083 227 HD13 LEU 31 3HD1 LEU 31 -2.596 0.438 -4.026 228 HD21 LEU 31 3HD2 LEU 31 0.959 0.404 -3.224 229 HD22 LEU 31 1HD2 LEU 31 -0.530 -0.541 -3.215 230 HD23 LEU 31 2HD2 LEU 31 -0.151 0.520 -1.857 231 H GLU 32 H GLU 32 1.703 5.098 -4.975 232 HA GLU 32 HA GLU 32 3.739 4.132 -6.635 233 HB3 GLU 32 2HB GLU 32 3.124 6.988 -5.858 234 HG3 GLU 32 2HG GLU 32 4.662 5.883 -8.193 235 H ARG 33 H ARG 33 3.910 6.055 -3.659 236 HA ARG 33 HA ARG 33 6.787 6.117 -3.685 237 HB3 ARG 33 2HB ARG 33 4.858 6.848 -1.475 238 HG3 ARG 33 2HG ARG 33 7.384 6.514 -0.960 239 HD3 ARG 33 2HD ARG 33 8.131 7.843 -2.929 240 HE ARG 33 HE ARG 33 6.424 9.832 -1.937 241 HH11 ARG 33 1HH1 ARG 33 9.644 9.470 -3.212 242 HH12 ARG 33 2HH1 ARG 33 9.709 11.077 -3.859 243 HH21 ARG 33 1HH2 ARG 33 6.498 11.949 -2.784 244 HH22 ARG 33 2HH2 ARG 33 7.919 12.486 -3.613 245 H LEU 34 H LEU 34 4.286 4.170 -2.218 246 HA LEU 34 HA LEU 34 5.905 2.898 -0.270 247 HB3 LEU 34 2HB LEU 34 3.326 2.095 -1.596 248 HG LEU 34 HG LEU 34 4.933 0.366 -0.050 249 HD11 LEU 34 1HD1 LEU 34 2.697 1.630 1.479 250 HD12 LEU 34 2HD1 LEU 34 4.324 1.209 2.014 251 HD13 LEU 34 3HD1 LEU 34 3.126 -0.059 1.752 252 HD21 LEU 34 3HD2 LEU 34 2.921 -1.097 -0.246 253 HD22 LEU 34 1HD2 LEU 34 3.457 -0.392 -1.771 254 HD23 LEU 34 2HD2 LEU 34 2.054 0.276 -0.936 255 H LYS 35 H LYS 35 4.780 1.833 -3.478 256 HA LYS 35 HA LYS 35 6.074 -0.623 -3.558 257 HB3 LYS 35 2HB LYS 35 4.387 0.390 -5.212 258 HG3 LYS 35 2HG LYS 35 6.815 1.152 -6.784 259 HD3 LYS 35 2HD LYS 35 4.802 2.689 -7.665 260 HE3 LYS 35 2HE LYS 35 5.707 -0.049 -8.397 261 HZ1 LYS 35 3HZ LYS 35 3.441 -0.253 -8.971 262 HZ2 LYS 35 1HZ LYS 35 4.247 0.142 -10.405 263 HZ3 LYS 35 2HZ LYS 35 3.361 1.324 -9.579 264 H VAL 36 H VAL 36 7.288 2.596 -4.330 265 HA VAL 36 HA VAL 36 9.819 1.649 -5.296 266 HB VAL 36 HB VAL 36 8.646 4.335 -4.728 267 HG11 VAL 36 1HG1 VAL 36 10.958 5.250 -5.415 268 HG12 VAL 36 2HG1 VAL 36 10.709 4.756 -3.740 269 HG13 VAL 36 3HG1 VAL 36 11.570 3.694 -4.855 270 HG21 VAL 36 3HG2 VAL 36 10.001 4.404 -7.115 271 HG22 VAL 36 1HG2 VAL 36 9.446 2.732 -7.030 272 HG23 VAL 36 2HG2 VAL 36 8.283 4.055 -6.919 273 H GLU 37 H GLU 37 8.562 2.863 -2.243 274 HA GLU 37 HA GLU 37 10.883 3.368 -0.850 275 HB3 GLU 37 2HB GLU 37 8.469 1.978 0.315 276 HG3 GLU 37 2HG GLU 37 10.245 4.050 1.572 277 H TYR 38 H TYR 38 9.190 0.251 -1.138 278 HA TYR 38 HA TYR 38 11.442 -1.111 0.109 279 HB3 TYR 38 2HB TYR 38 10.042 -3.029 0.243 280 HD1 TYR 38 2HD TYR 38 10.345 -1.301 2.330 281 HD2 TYR 38 1HD TYR 38 6.904 -1.660 -0.147 282 HE1 TYR 38 2HE TYR 38 8.960 -0.349 4.126 283 HE2 TYR 38 1HE TYR 38 5.511 -0.708 1.641 284 HH TYR 38 HH TYR 38 5.572 0.430 3.616 285 H GLY 39 H GLY 39 9.807 -0.880 -3.005 286 HA2 GLY 39 2HA GLY 39 11.342 -1.021 -4.953 287 HA3 GLY 39 3HA GLY 39 12.017 -2.450 -4.183 288 H SER 40 H SER 40 11.484 -3.286 -6.409 289 HA SER 40 HA SER 40 8.793 -3.690 -7.182 290 HB3 SER 40 2HB SER 40 11.316 -5.171 -7.961 291 HG SER 40 HG SER 40 10.131 -6.072 -9.582 292 H GLU 41 H GLU 41 11.000 -5.480 -5.146 293 HA GLU 41 HA GLU 41 9.821 -7.968 -5.053 294 HB3 GLU 41 2HB GLU 41 10.758 -8.187 -2.799 295 HG3 GLU 41 2HG GLU 41 13.096 -7.158 -3.273 296 H PHE 42 H PHE 42 9.022 -5.130 -3.062 297 HA PHE 42 HA PHE 42 6.865 -6.404 -1.715 298 HB3 PHE 42 2HB PHE 42 7.287 -3.433 -2.065 299 HD1 PHE 42 2HD PHE 42 4.710 -3.493 -1.960 300 HD2 PHE 42 1HD PHE 42 7.247 -4.720 1.231 301 HE1 PHE 42 2HE PHE 42 2.856 -3.189 -0.373 302 HE2 PHE 42 1HE PHE 42 5.396 -4.417 2.823 303 HZ PHE 42 HZ PHE 42 3.197 -3.651 2.022 304 H THR 43 H THR 43 7.080 -4.240 -4.503 305 HA THR 43 HA THR 43 4.365 -3.777 -4.913 306 HB THR 43 HB THR 43 6.123 -4.151 -7.297 307 HG1 THR 43 1HG THR 43 7.246 -2.263 -6.809 308 HG21 THR 43 3HG2 THR 43 4.243 -3.143 -8.048 309 HG22 THR 43 1HG2 THR 43 5.036 -1.681 -7.465 310 HG23 THR 43 2HG2 THR 43 3.831 -2.490 -6.463 311 H LYS 44 H LYS 44 6.418 -6.419 -6.083 312 HA LYS 44 HA LYS 44 4.318 -7.679 -7.562 313 HB3 LYS 44 2HB LYS 44 5.907 -9.548 -7.794 314 HG3 LYS 44 2HG LYS 44 7.974 -8.072 -8.523 315 HD3 LYS 44 2HD LYS 44 5.267 -8.350 -9.761 316 HE3 LYS 44 2HE LYS 44 6.358 -6.118 -10.398 317 HZ1 LYS 44 3HZ LYS 44 7.921 -7.257 -12.444 318 HZ2 LYS 44 1HZ LYS 44 8.499 -7.803 -10.950 319 HZ3 LYS 44 2HZ LYS 44 8.383 -6.143 -11.257 320 H GLN 45 H GLN 45 5.448 -7.796 -4.288 321 HA GLN 45 HA GLN 45 4.188 -10.291 -3.635 322 HB3 GLN 45 2HB GLN 45 4.914 -8.242 -1.577 323 HG3 GLN 45 2HG GLN 45 4.042 -10.623 -1.096 324 HE21 GLN 45 1HE2 GLN 45 4.243 -12.498 -2.114 325 HE22 GLN 45 2HE2 GLN 45 5.727 -13.332 -2.400 326 H MET 46 H MET 46 3.282 -6.931 -3.632 327 HA MET 46 HA MET 46 0.726 -7.617 -2.346 328 HB3 MET 46 2HB MET 46 2.145 -5.804 -1.314 329 HG3 MET 46 2HG MET 46 2.465 -4.839 -3.828 330 HE1 MET 46 3HE MET 46 2.412 -2.408 -4.812 331 HE2 MET 46 1HE MET 46 1.015 -1.335 -4.735 332 HE3 MET 46 2HE MET 46 2.138 -1.417 -3.378 333 H TYR 47 H TYR 47 1.945 -7.473 -5.312 334 HA TYR 47 HA TYR 47 -0.534 -7.247 -6.613 335 HB3 TYR 47 2HB TYR 47 1.198 -4.924 -7.364 336 HD1 TYR 47 2HD TYR 47 -2.338 -5.894 -6.602 337 HD2 TYR 47 1HD TYR 47 0.350 -3.947 -9.263 338 HE1 TYR 47 2HE TYR 47 -4.217 -5.350 -8.092 339 HE2 TYR 47 1HE TYR 47 -1.521 -3.397 -10.761 340 HH TYR 47 HH TYR 47 -4.182 -3.085 -10.344 341 H ASP 48 H ASP 48 -0.001 -8.996 -7.808 342 HA ASP 48 HA ASP 48 2.508 -8.988 -9.311 343 HB3 ASP 48 2HB ASP 48 0.947 -11.342 -9.783 344 H GLY 49 H GLY 49 2.061 -7.510 -10.944 345 HA2 GLY 49 2HA GLY 49 1.521 -7.162 -13.185 346 HA3 GLY 49 3HA GLY 49 0.487 -8.582 -13.130 347 H ASN 50 H ASN 50 -1.665 -8.378 -12.503 348 HA ASN 50 HA ASN 50 -2.635 -5.606 -12.260 349 HB3 ASN 50 2HB ASN 50 -4.729 -6.484 -13.424 350 HD21 ASN 50 1HD2 ASN 50 -3.965 -4.423 -14.199 351 HD22 ASN 50 2HD2 ASN 50 -3.070 -4.348 -15.676 352 H ASN 51 H ASN 51 -2.338 -8.525 -10.733 353 HA ASN 51 HA ASN 51 -4.269 -7.771 -8.713 354 HB3 ASN 51 2HB ASN 51 -5.625 -9.124 -10.266 355 HD21 ASN 51 1HD2 ASN 51 -4.775 -10.046 -12.075 356 HD22 ASN 51 2HD2 ASN 51 -4.057 -11.618 -12.096 357 H LEU 52 H LEU 52 -4.108 -9.181 -6.776 358 HA LEU 52 HA LEU 52 -1.538 -9.408 -5.834 359 HB3 LEU 52 2HB LEU 52 -2.428 -10.782 -4.044 360 HG LEU 52 HG LEU 52 -3.799 -9.287 -3.052 361 HD11 LEU 52 1HD1 LEU 52 -3.374 -7.113 -3.781 362 HD12 LEU 52 2HD1 LEU 52 -3.355 -7.585 -5.480 363 HD13 LEU 52 3HD1 LEU 52 -2.022 -8.050 -4.422 364 HD21 LEU 52 3HD2 LEU 52 -5.401 -8.280 -5.255 365 HD22 LEU 52 1HD2 LEU 52 -5.903 -8.958 -3.707 366 HD23 LEU 52 2HD2 LEU 52 -5.544 -10.029 -5.062 367 H PHE 53 H PHE 53 -0.262 -11.302 -5.258 368 HA PHE 53 HA PHE 53 0.019 -13.075 -7.499 369 HB3 PHE 53 2HB PHE 53 1.498 -12.840 -4.877 370 HD1 PHE 53 1HD PHE 53 1.787 -14.419 -8.249 371 HD2 PHE 53 2HD PHE 53 2.719 -14.609 -4.101 372 HE1 PHE 53 1HE PHE 53 2.928 -16.570 -8.608 373 HE2 PHE 53 2HE PHE 53 3.862 -16.760 -4.452 374 HZ PHE 53 HZ PHE 53 3.966 -17.743 -6.708 375 H LYS 54 H LYS 54 -0.270 -13.758 -4.009 376 HA LYS 54 HA LYS 54 -1.313 -16.402 -4.600 377 HB3 LYS 54 2HB LYS 54 -0.745 -15.041 -1.960 378 HG3 LYS 54 2HG LYS 54 -2.384 -16.897 -1.771 379 HD3 LYS 54 2HD LYS 54 -1.316 -18.187 -3.714 380 HE3 LYS 54 2HE LYS 54 0.521 -18.926 -1.446 381 HZ1 LYS 54 3HZ LYS 54 -0.523 -20.639 -3.381 382 HZ2 LYS 54 1HZ LYS 54 0.719 -20.952 -2.275 383 HZ3 LYS 54 2HZ LYS 54 1.085 -20.334 -3.806 384 H ASN 55 H ASN 55 -2.377 -13.617 -2.639 385 HA ASN 55 HA ASN 55 -4.897 -13.281 -3.543 386 HB3 ASN 55 2HB ASN 55 -5.917 -14.778 -1.435 387 HD21 ASN 55 1HD2 ASN 55 -6.184 -17.272 -2.939 388 HD22 ASN 55 2HD2 ASN 55 -7.208 -16.907 -4.282 389 H VAL 56 H VAL 56 -3.044 -11.703 -2.340 390 HA VAL 56 HA VAL 56 -3.469 -11.250 0.422 391 HB VAL 56 HB VAL 56 -2.574 -9.146 -1.538 392 HG11 VAL 56 1HG1 VAL 56 -2.940 -8.347 0.705 393 HG12 VAL 56 2HG1 VAL 56 -1.971 -9.665 1.371 394 HG13 VAL 56 3HG1 VAL 56 -1.206 -8.413 0.390 395 HG21 VAL 56 3HG2 VAL 56 -0.240 -10.130 -0.764 396 HG22 VAL 56 1HG2 VAL 56 -1.187 -11.612 -0.634 397 HG23 VAL 56 2HG2 VAL 56 -1.089 -10.760 -2.175 398 H ILE 57 H ILE 57 -4.823 -9.885 1.500 399 HA ILE 57 HA ILE 57 -6.854 -8.485 -0.112 400 HB ILE 57 HB ILE 57 -7.263 -9.841 2.555 401 HG13 ILE 57 2HG1 ILE 57 -7.061 -11.238 0.381 402 HG21 ILE 57 1HG2 ILE 57 -9.022 -8.517 2.817 403 HG22 ILE 57 2HG2 ILE 57 -8.694 -7.728 1.275 404 HG23 ILE 57 3HG2 ILE 57 -9.710 -9.168 1.330 405 HD11 ILE 57 3HD1 ILE 57 -8.405 -12.852 1.218 406 HD12 ILE 57 1HD1 ILE 57 -8.340 -11.801 2.633 407 HD13 ILE 57 2HD1 ILE 57 -9.731 -11.737 1.547 408 H ILE 58 H ILE 58 -6.418 -6.379 0.025 409 HA ILE 58 HA ILE 58 -5.829 -5.259 2.687 410 HB ILE 58 HB ILE 58 -3.835 -4.832 1.634 411 HG13 ILE 58 2HG1 ILE 58 -5.026 -2.699 2.298 412 HG21 ILE 58 1HG2 ILE 58 -5.391 -4.537 -0.926 413 HG22 ILE 58 2HG2 ILE 58 -3.668 -4.194 -0.787 414 HG23 ILE 58 3HG2 ILE 58 -4.269 -5.824 -0.484 415 HD11 ILE 58 3HD1 ILE 58 -3.550 -1.285 0.555 416 HD12 ILE 58 1HD1 ILE 58 -2.897 -2.063 1.996 417 HD13 ILE 58 2HD1 ILE 58 -2.767 -2.860 0.429 418 H LEU 59 H LEU 59 -7.049 -3.585 3.359 419 HA LEU 59 HA LEU 59 -8.904 -2.370 1.422 420 HB3 LEU 59 2HB LEU 59 -10.451 -2.166 3.477 421 HG LEU 59 HG LEU 59 -10.007 -4.865 2.210 422 HD11 LEU 59 1HD1 LEU 59 -11.249 -4.592 4.560 423 HD12 LEU 59 2HD1 LEU 59 -11.767 -5.742 3.328 424 HD13 LEU 59 3HD1 LEU 59 -12.587 -4.189 3.484 425 HD21 LEU 59 3HD2 LEU 59 -12.456 -3.661 1.493 426 HD22 LEU 59 1HD2 LEU 59 -11.052 -3.970 0.472 427 HD23 LEU 59 2HD2 LEU 59 -11.204 -2.431 1.321 428 H VAL 60 H VAL 60 -9.743 -0.242 2.112 429 HA VAL 60 HA VAL 60 -7.879 1.196 3.879 430 HB VAL 60 HB VAL 60 -7.304 1.628 1.504 431 HG11 VAL 60 1HG1 VAL 60 -8.805 2.881 0.085 432 HG12 VAL 60 2HG1 VAL 60 -9.591 1.388 0.602 433 HG13 VAL 60 3HG1 VAL 60 -10.023 2.923 1.358 434 HG21 VAL 60 3HG2 VAL 60 -6.816 3.825 1.886 435 HG22 VAL 60 1HG2 VAL 60 -8.433 4.193 2.488 436 HG23 VAL 60 2HG2 VAL 60 -7.279 3.349 3.520 437 H ASN 61 H ASN 61 -8.809 2.541 5.307 438 HA ASN 61 HA ASN 61 -10.445 3.499 6.569 439 HB3 ASN 61 2HB ASN 61 -11.832 4.173 3.981 440 HD21 ASN 61 1HD2 ASN 61 -13.007 6.073 4.087 441 HD22 ASN 61 2HD2 ASN 61 -13.430 6.816 5.588 442 H GLY 62 H GLY 62 -10.778 0.681 5.796 443 HA2 GLY 62 2HA GLY 62 -12.331 -0.963 6.217 444 HA3 GLY 62 3HA GLY 62 -13.398 0.292 6.826 445 H ASN 63 H ASN 63 -12.013 -0.083 3.584 446 HA ASN 63 HA ASN 63 -14.305 -1.163 2.366 447 HB3 ASN 63 2HB ASN 63 -14.080 1.730 1.638 448 HD21 ASN 63 1HD2 ASN 63 -16.006 2.503 0.716 449 HD22 ASN 63 2HD2 ASN 63 -17.188 1.422 0.068 450 H ASN 64 H ASN 64 -13.887 -1.750 0.283 451 HA ASN 64 HA ASN 64 -11.199 -1.583 -0.625 452 HB3 ASN 64 2HB ASN 64 -12.364 -3.554 -1.211 453 HD21 ASN 64 1HD2 ASN 64 -14.354 -3.994 -0.442 454 HD22 ASN 64 2HD2 ASN 64 -15.823 -3.539 -1.230 455 H ILE 65 H ILE 65 -10.325 -0.480 -2.367 456 HA ILE 65 HA ILE 65 -11.498 2.072 -2.929 457 HB ILE 65 HB ILE 65 -9.527 2.468 -4.327 458 HG13 ILE 65 2HG1 ILE 65 -9.294 0.221 -5.280 459 HG21 ILE 65 1HG2 ILE 65 -8.424 1.121 -1.913 460 HG22 ILE 65 2HG2 ILE 65 -8.068 2.714 -2.580 461 HG23 ILE 65 3HG2 ILE 65 -9.572 2.443 -1.699 462 HD11 ILE 65 3HD1 ILE 65 -7.190 0.734 -5.705 463 HD12 ILE 65 1HD1 ILE 65 -7.096 1.721 -4.246 464 HD13 ILE 65 2HD1 ILE 65 -6.730 -0.004 -4.170 465 H THR 66 H THR 66 -11.273 -0.996 -4.577 466 HA THR 66 HA THR 66 -11.827 -0.203 -7.195 467 HB THR 66 HB THR 66 -12.630 -2.477 -7.582 468 HG1 THR 66 1HG THR 66 -12.832 -3.898 -5.781 469 HG21 THR 66 3HG2 THR 66 -10.114 -1.814 -6.336 470 HG22 THR 66 1HG2 THR 66 -10.449 -2.944 -7.646 471 HG23 THR 66 2HG2 THR 66 -10.577 -3.476 -5.969 472 H SER 67 H SER 67 -13.891 -0.445 -4.415 473 HA SER 67 HA SER 67 -16.398 -0.748 -5.498 474 HB3 SER 67 2HB SER 67 -15.332 0.675 -3.110 475 HG SER 67 HG SER 67 -17.759 1.050 -2.733 476 H MET 68 H MET 68 -14.517 2.247 -5.217 477 HA MET 68 HA MET 68 -16.378 3.488 -7.136 478 HB3 MET 68 2HB MET 68 -16.739 4.972 -5.482 479 HG3 MET 68 2HG MET 68 -14.116 4.216 -4.219 480 HE1 MET 68 3HE MET 68 -14.433 4.619 -1.225 481 HE2 MET 68 1HE MET 68 -13.186 5.275 -2.287 482 HE3 MET 68 2HE MET 68 -14.011 6.328 -1.139 483 H LYS 69 H LYS 69 -13.194 4.444 -5.881 484 HA LYS 69 HA LYS 69 -12.181 4.388 -8.649 485 HB3 LYS 69 2HB LYS 69 -10.610 6.265 -7.658 486 HG3 LYS 69 2HG LYS 69 -12.300 8.023 -8.254 487 HD3 LYS 69 2HD LYS 69 -12.601 6.260 -10.521 488 HE3 LYS 69 2HE LYS 69 -11.076 7.907 -11.555 489 HZ1 LYS 69 3HZ LYS 69 -12.646 9.853 -10.323 490 HZ2 LYS 69 1HZ LYS 69 -13.587 8.451 -10.420 491 HZ3 LYS 69 2HZ LYS 69 -12.900 9.107 -11.820 492 H GLY 70 H GLY 70 -10.374 3.250 -8.991 493 HA2 GLY 70 2HA GLY 70 -9.288 1.565 -7.035 494 HA3 GLY 70 3HA GLY 70 -8.544 1.926 -8.585 495 H LEU 71 H LEU 71 -6.869 3.366 -8.697 496 HA LEU 71 HA LEU 71 -5.495 3.913 -6.244 497 HB3 LEU 71 2HB LEU 71 -4.363 5.350 -8.429 498 HG LEU 71 HG LEU 71 -3.103 4.158 -6.581 499 HD11 LEU 71 1HD1 LEU 71 -3.798 1.803 -8.317 500 HD12 LEU 71 2HD1 LEU 71 -4.106 2.012 -6.594 501 HD13 LEU 71 3HD1 LEU 71 -2.454 1.802 -7.175 502 HD21 LEU 71 3HD2 LEU 71 -1.978 3.305 -9.197 503 HD22 LEU 71 1HD2 LEU 71 -1.205 4.138 -7.848 504 HD23 LEU 71 2HD2 LEU 71 -2.275 5.025 -8.935 505 H ASP 72 H ASP 72 -7.813 5.561 -8.091 506 HA ASP 72 HA ASP 72 -7.005 8.232 -7.392 507 HB3 ASP 72 2HB ASP 72 -9.663 8.398 -8.109 508 H THR 73 H THR 73 -8.195 5.786 -5.585 509 HA THR 73 HA THR 73 -10.294 6.913 -4.110 510 HB THR 73 HB THR 73 -8.456 4.646 -3.771 511 HG1 THR 73 1HG THR 73 -11.110 4.825 -2.826 512 HG21 THR 73 3HG2 THR 73 -7.937 5.644 -1.668 513 HG22 THR 73 1HG2 THR 73 -9.114 4.370 -1.356 514 HG23 THR 73 2HG2 THR 73 -9.626 6.057 -1.377 515 H GLU 74 H GLU 74 -10.380 8.406 -2.549 516 HA GLU 74 HA GLU 74 -7.906 9.728 -1.771 517 HB3 GLU 74 2HB GLU 74 -9.669 11.192 -2.462 518 HG3 GLU 74 2HG GLU 74 -11.369 9.874 -0.359 519 H ILE 75 H ILE 75 -7.290 10.089 0.388 520 HA ILE 75 HA ILE 75 -8.673 8.532 2.445 521 HB ILE 75 HB ILE 75 -6.397 7.777 3.293 522 HG13 ILE 75 2HG1 ILE 75 -5.029 9.267 1.907 523 HG21 ILE 75 1HG2 ILE 75 -7.988 6.238 2.307 524 HG22 ILE 75 2HG2 ILE 75 -7.435 6.666 0.689 525 HG23 ILE 75 3HG2 ILE 75 -6.352 5.824 1.798 526 HD11 ILE 75 3HD1 ILE 75 -4.288 6.818 2.517 527 HD12 ILE 75 1HD1 ILE 75 -4.351 6.614 0.766 528 HD13 ILE 75 2HD1 ILE 75 -3.307 7.847 1.475 529 H LYS 76 H LYS 76 -8.834 9.591 4.319 530 HA LYS 76 HA LYS 76 -7.305 12.079 4.626 531 HB3 LYS 76 2HB LYS 76 -9.042 12.705 6.273 532 HG3 LYS 76 2HG LYS 76 -11.068 12.578 4.669 533 HD3 LYS 76 2HD LYS 76 -9.135 14.393 4.983 534 HE3 LYS 76 2HE LYS 76 -8.632 13.094 2.369 535 HZ1 LYS 76 3HZ LYS 76 -8.379 16.029 2.742 536 HZ2 LYS 76 1HZ LYS 76 -9.497 15.270 1.725 537 HZ3 LYS 76 2HZ LYS 76 -7.842 15.145 1.404 538 H ASP 77 H ASP 77 -7.005 12.658 7.062 539 HA ASP 77 HA ASP 77 -5.075 11.010 8.143 540 HB3 ASP 77 2HB ASP 77 -5.525 13.404 8.766 541 H ASP 78 H ASP 78 -8.537 10.853 8.481 542 HA ASP 78 HA ASP 78 -8.527 9.054 10.713 543 HB3 ASP 78 2HB ASP 78 -10.967 8.726 10.003 544 H ASP 79 H ASP 79 -8.807 8.728 7.209 545 HA ASP 79 HA ASP 79 -9.504 6.062 7.003 546 HB3 ASP 79 2HB ASP 79 -8.088 6.149 4.843 547 H LYS 80 H LYS 80 -8.300 4.140 6.709 548 HA LYS 80 HA LYS 80 -5.481 4.162 7.436 549 HB3 LYS 80 2HB LYS 80 -6.652 3.990 9.591 550 HG3 LYS 80 2HG LYS 80 -7.670 1.287 8.846 551 HD3 LYS 80 2HD LYS 80 -8.306 3.349 10.946 552 HE3 LYS 80 2HE LYS 80 -9.847 0.942 10.059 553 HZ1 LYS 80 3HZ LYS 80 -10.421 0.359 12.111 554 HZ2 LYS 80 1HZ LYS 80 -10.651 1.962 12.601 555 HZ3 LYS 80 2HZ LYS 80 -9.110 1.271 12.668 556 H ILE 81 H ILE 81 -4.340 2.524 6.521 557 HA ILE 81 HA ILE 81 -5.860 0.676 4.817 558 HB ILE 81 HB ILE 81 -2.929 1.383 4.650 559 HG13 ILE 81 2HG1 ILE 81 -5.364 2.657 3.547 560 HG21 ILE 81 1HG2 ILE 81 -4.640 -0.559 3.295 561 HG22 ILE 81 2HG2 ILE 81 -3.716 0.466 2.197 562 HG23 ILE 81 3HG2 ILE 81 -2.883 -0.488 3.423 563 HD11 ILE 81 3HD1 ILE 81 -2.706 3.482 4.502 564 HD12 ILE 81 1HD1 ILE 81 -3.391 4.432 3.183 565 HD13 ILE 81 2HD1 ILE 81 -4.280 4.255 4.696 566 H ASP 82 H ASP 82 -5.608 -1.507 4.944 567 HA ASP 82 HA ASP 82 -3.710 -2.549 6.934 568 HB3 ASP 82 2HB ASP 82 -6.343 -3.911 6.663 569 H LEU 83 H LEU 83 -2.756 -4.491 6.446 570 HA LEU 83 HA LEU 83 -3.354 -5.575 3.775 571 HB3 LEU 83 2HB LEU 83 -0.749 -5.811 5.262 572 HG LEU 83 HG LEU 83 0.221 -6.023 2.955 573 HD11 LEU 83 1HD1 LEU 83 0.065 -8.311 2.998 574 HD12 LEU 83 2HD1 LEU 83 -1.652 -8.298 3.402 575 HD13 LEU 83 3HD1 LEU 83 -0.454 -7.913 4.637 576 HD21 LEU 83 3HD2 LEU 83 -1.149 -6.548 1.109 577 HD22 LEU 83 1HD2 LEU 83 -1.869 -5.117 1.847 578 HD23 LEU 83 2HD2 LEU 83 -2.586 -6.705 2.120 579 H PHE 84 H PHE 84 -4.135 -7.569 3.689 580 HA PHE 84 HA PHE 84 -3.686 -9.350 5.995 581 HB3 PHE 84 2HB PHE 84 -5.867 -10.286 5.682 582 HD1 PHE 84 2HD PHE 84 -4.898 -8.227 7.479 583 HD2 PHE 84 1HD PHE 84 -7.876 -8.006 4.447 584 HE1 PHE 84 2HE PHE 84 -5.981 -6.374 8.682 585 HE2 PHE 84 1HE PHE 84 -8.964 -6.153 5.645 586 HZ PHE 84 HZ PHE 84 -8.016 -5.333 7.765 587 HA PRO 85 HA PRO 85 -1.697 -12.055 3.128 588 HB3 PRO 85 2HB PRO 85 -0.616 -12.935 4.956 589 HG3 PRO 85 2HG PRO 85 -1.670 -13.060 7.025 590 HD3 PRO 85 2HD PRO 85 -2.088 -10.854 6.501 591 HA PRO 86 HA PRO 86 -4.754 -14.410 1.020 592 HB3 PRO 86 2HB PRO 86 -3.158 -14.874 -0.566 593 HG3 PRO 86 2HG PRO 86 -0.948 -15.274 0.038 594 HD3 PRO 86 2HD PRO 86 -1.327 -13.316 1.194 595 H VAL 87 H VAL 87 -6.137 -16.169 1.210 596 HA VAL 87 HA VAL 87 -6.431 -17.354 3.710 597 HB VAL 87 HB VAL 87 -7.961 -18.984 2.528 598 HG11 VAL 87 1HG1 VAL 87 -8.823 -16.354 1.547 599 HG12 VAL 87 2HG1 VAL 87 -9.612 -17.464 2.670 600 HG13 VAL 87 3HG1 VAL 87 -8.334 -16.391 3.241 601 HG21 VAL 87 3HG2 VAL 87 -6.688 -18.910 0.373 602 HG22 VAL 87 1HG2 VAL 87 -8.431 -18.693 0.206 603 HG23 VAL 87 2HG2 VAL 87 -7.355 -17.299 0.104 604 H ALA 88 H ALA 88 -4.529 -18.331 0.977 605 HA ALA 88 HA ALA 88 -3.886 -20.875 2.315 606 HB1 ALA 88 1HB ALA 88 -3.024 -21.591 0.092 607 HB2 ALA 88 2HB ALA 88 -4.755 -21.252 0.116 608 HB3 ALA 88 3HB ALA 88 -3.636 -20.080 -0.580 609 H GLY 89 H GLY 89 -2.720 -18.594 3.347 610 HA2 GLY 89 2HA GLY 89 -0.296 -17.767 2.286 611 HA3 GLY 89 3HA GLY 89 -0.660 -17.822 4.004 612 H GLY 90 H GLY 90 1.582 -18.728 1.895 613 HA2 GLY 90 2HA GLY 90 3.379 -20.158 2.124 614 HA3 GLY 90 3HA GLY 90 2.692 -20.697 3.650 Start of MODEL 11 1 H1 MET 1 H MET 1 -3.439 11.909 6.314 2 HA MET 1 HA MET 1 -0.892 11.164 6.937 3 HB3 MET 1 2HB MET 1 -2.654 11.140 9.386 4 HG3 MET 1 2HG MET 1 -0.251 9.511 8.761 5 HE1 MET 1 3HE MET 1 -2.323 9.973 11.722 6 HE2 MET 1 1HE MET 1 -1.190 9.730 13.051 7 HE3 MET 1 2HE MET 1 -1.561 11.362 12.495 8 H VAL 2 H VAL 2 -0.566 8.931 6.803 9 HA VAL 2 HA VAL 2 -2.973 7.262 6.561 10 HB VAL 2 HB VAL 2 -2.079 6.176 4.558 11 HG11 VAL 2 1HG1 VAL 2 -2.256 8.220 3.010 12 HG12 VAL 2 2HG1 VAL 2 -3.636 7.836 4.041 13 HG13 VAL 2 3HG1 VAL 2 -2.535 9.139 4.488 14 HG21 VAL 2 3HG2 VAL 2 0.273 7.714 5.246 15 HG22 VAL 2 1HG2 VAL 2 0.107 6.333 4.162 16 HG23 VAL 2 2HG2 VAL 2 -0.196 7.964 3.564 17 H THR 3 H THR 3 -2.804 5.342 7.538 18 HA THR 3 HA THR 3 -0.132 4.499 8.452 19 HB THR 3 HB THR 3 -2.639 3.482 9.732 20 HG1 THR 3 1HG THR 3 -3.032 5.628 9.938 21 HG21 THR 3 3HG2 THR 3 -1.084 2.503 11.000 22 HG22 THR 3 1HG2 THR 3 -0.668 4.102 11.615 23 HG23 THR 3 2HG2 THR 3 0.204 3.432 10.236 24 H VAL 4 H VAL 4 0.642 2.605 7.771 25 HA VAL 4 HA VAL 4 -1.231 0.706 6.514 26 HB VAL 4 HB VAL 4 1.650 1.110 5.707 27 HG11 VAL 4 1HG1 VAL 4 -0.622 -0.456 4.492 28 HG12 VAL 4 2HG1 VAL 4 0.936 -0.186 3.710 29 HG13 VAL 4 3HG1 VAL 4 0.851 -1.103 5.215 30 HG21 VAL 4 3HG2 VAL 4 0.057 1.918 3.597 31 HG22 VAL 4 1HG2 VAL 4 -0.726 2.622 5.011 32 HG23 VAL 4 2HG2 VAL 4 0.970 2.969 4.678 33 H ARG 5 H ARG 5 -1.042 -1.424 7.029 34 HA ARG 5 HA ARG 5 0.965 -2.099 9.076 35 HB3 ARG 5 2HB ARG 5 -1.566 -3.654 8.661 36 HG3 ARG 5 2HG ARG 5 0.161 -3.112 11.065 37 HD3 ARG 5 2HD ARG 5 -1.499 -5.048 11.870 38 HE ARG 5 HE ARG 5 -2.645 -2.442 12.285 39 HH11 ARG 5 1HH1 ARG 5 -0.048 -4.604 13.119 40 HH12 ARG 5 2HH1 ARG 5 0.275 -3.839 14.639 41 HH21 ARG 5 1HH2 ARG 5 -2.230 -1.426 14.285 42 HH22 ARG 5 2HH2 ARG 5 -0.967 -2.032 15.301 43 H TYR 6 H TYR 6 1.747 -4.325 9.083 44 HA TYR 6 HA TYR 6 1.563 -5.701 6.503 45 HB3 TYR 6 2HB TYR 6 3.889 -5.844 6.187 46 HD1 TYR 6 2HD TYR 6 2.542 -4.004 4.785 47 HD2 TYR 6 1HD TYR 6 5.000 -3.196 8.163 48 HE1 TYR 6 2HE TYR 6 2.816 -1.681 4.022 49 HE2 TYR 6 1HE TYR 6 5.281 -0.871 7.410 50 HH TYR 6 HH TYR 6 4.585 0.692 5.960 51 H TYR 7 H TYR 7 1.790 -7.914 6.598 52 HA TYR 7 HA TYR 7 1.817 -9.049 9.310 53 HB3 TYR 7 2HB TYR 7 0.916 -11.087 7.790 54 HD1 TYR 7 2HD TYR 7 -0.608 -7.735 8.473 55 HD2 TYR 7 1HD TYR 7 -0.744 -11.936 9.133 56 HE1 TYR 7 2HE TYR 7 -2.564 -7.437 9.934 57 HE2 TYR 7 1HE TYR 7 -2.701 -11.650 10.594 58 HH TYR 7 HH TYR 7 -4.392 -8.649 10.831 59 H ALA 8 H ALA 8 2.447 -11.583 9.016 60 HA ALA 8 HA ALA 8 5.204 -11.676 8.821 61 HB1 ALA 8 1HB ALA 8 3.044 -13.690 8.908 62 HB2 ALA 8 2HB ALA 8 4.618 -14.245 8.335 63 HB3 ALA 8 3HB ALA 8 4.470 -13.506 9.929 64 H THR 9 H THR 9 2.813 -11.903 6.315 65 HA THR 9 HA THR 9 4.393 -13.147 4.327 66 HB THR 9 HB THR 9 1.941 -11.408 4.206 67 HG1 THR 9 1HG THR 9 2.170 -13.857 4.723 68 HG21 THR 9 3HG2 THR 9 3.621 -12.420 1.928 69 HG22 THR 9 1HG2 THR 9 2.980 -10.799 2.188 70 HG23 THR 9 2HG2 THR 9 1.894 -12.114 1.743 71 H LEU 10 H LEU 10 4.119 -9.848 5.441 72 HA LEU 10 HA LEU 10 6.033 -9.012 3.363 73 HB3 LEU 10 2HB LEU 10 5.239 -6.704 3.828 74 HG LEU 10 HG LEU 10 3.092 -8.630 2.954 75 HD11 LEU 10 1HD1 LEU 10 3.096 -5.626 2.724 76 HD12 LEU 10 2HD1 LEU 10 2.117 -6.551 3.861 77 HD13 LEU 10 3HD1 LEU 10 1.860 -6.732 2.127 78 HD21 LEU 10 3HD2 LEU 10 5.325 -7.219 1.655 79 HD22 LEU 10 1HD2 LEU 10 3.786 -7.169 0.794 80 HD23 LEU 10 2HD2 LEU 10 4.513 -8.721 1.209 81 H ARG 11 H ARG 11 6.354 -10.241 6.157 82 HA ARG 11 HA ARG 11 7.454 -8.337 7.894 83 HB3 ARG 11 2HB ARG 11 8.868 -10.762 8.244 84 HG3 ARG 11 2HG ARG 11 6.325 -9.872 9.587 85 HD3 ARG 11 2HD ARG 11 6.891 -12.201 10.045 86 HE ARG 11 HE ARG 11 9.584 -11.233 10.354 87 HH11 ARG 11 1HH1 ARG 11 7.321 -13.749 11.169 88 HH12 ARG 11 2HH1 ARG 11 8.548 -14.934 11.476 89 HH21 ARG 11 1HH2 ARG 11 11.209 -12.783 10.756 90 HH22 ARG 11 2HH2 ARG 11 10.759 -14.382 11.242 91 HA PRO 12 HA PRO 12 11.784 -9.445 6.066 92 HB3 PRO 12 2HB PRO 12 11.859 -11.653 5.431 93 HG3 PRO 12 2HG PRO 12 9.985 -12.712 4.554 94 HD3 PRO 12 2HD PRO 12 9.059 -11.769 6.442 95 H ILE 13 H ILE 13 9.053 -8.437 4.333 96 HA ILE 13 HA ILE 13 10.618 -7.143 2.228 97 HB ILE 13 HB ILE 13 7.625 -7.035 2.549 98 HG13 ILE 13 2HG1 ILE 13 8.331 -9.388 2.484 99 HG21 ILE 13 1HG2 ILE 13 8.851 -5.434 1.022 100 HG22 ILE 13 2HG2 ILE 13 9.276 -6.839 0.045 101 HG23 ILE 13 3HG2 ILE 13 7.582 -6.404 0.273 102 HD11 ILE 13 3HD1 ILE 13 6.490 -9.720 1.307 103 HD12 ILE 13 1HD1 ILE 13 6.677 -8.180 0.469 104 HD13 ILE 13 2HD1 ILE 13 7.477 -9.625 -0.150 105 H THR 14 H THR 14 8.893 -6.447 5.156 106 HA THR 14 HA THR 14 9.152 -3.558 4.683 107 HB THR 14 HB THR 14 6.911 -4.456 5.364 108 HG1 THR 14 1HG THR 14 8.231 -2.612 7.092 109 HG21 THR 14 3HG2 THR 14 6.546 -5.559 7.310 110 HG22 THR 14 1HG2 THR 14 7.790 -4.660 8.178 111 HG23 THR 14 2HG2 THR 14 8.243 -6.000 7.125 112 H LYS 15 H LYS 15 10.716 -6.093 6.193 113 HA LYS 15 HA LYS 15 12.468 -6.210 7.641 114 HB3 LYS 15 2HB LYS 15 12.664 -3.232 7.804 115 HG3 LYS 15 2HG LYS 15 14.350 -4.931 8.773 116 HD3 LYS 15 2HD LYS 15 14.401 -6.125 6.466 117 HE3 LYS 15 2HE LYS 15 15.006 -3.847 5.374 118 HZ1 LYS 15 3HZ LYS 15 17.115 -3.931 7.013 119 HZ2 LYS 15 1HZ LYS 15 17.094 -3.089 5.546 120 HZ3 LYS 15 2HZ LYS 15 17.781 -4.632 5.625 121 H LYS 16 H LYS 16 9.714 -5.949 8.591 122 HA LYS 16 HA LYS 16 8.544 -5.704 10.529 123 HB3 LYS 16 2HB LYS 16 11.010 -5.597 12.175 124 HG3 LYS 16 2HG LYS 16 8.342 -6.571 12.450 125 HD3 LYS 16 2HD LYS 16 9.217 -8.742 11.765 126 HE3 LYS 16 2HE LYS 16 11.306 -8.124 13.827 127 HZ1 LYS 16 3HZ LYS 16 11.390 -10.789 12.793 128 HZ2 LYS 16 1HZ LYS 16 10.019 -10.526 13.749 129 HZ3 LYS 16 2HZ LYS 16 11.560 -10.247 14.386 130 H LYS 17 H LYS 17 8.838 -3.332 9.284 131 HA LYS 17 HA LYS 17 8.990 -1.481 11.542 132 HB3 LYS 17 2HB LYS 17 10.398 -1.023 8.904 133 HG3 LYS 17 2HG LYS 17 10.052 0.762 11.296 134 HD3 LYS 17 2HD LYS 17 12.028 1.007 9.026 135 HE3 LYS 17 2HE LYS 17 12.728 2.989 10.602 136 HZ1 LYS 17 3HZ LYS 17 11.267 2.822 8.264 137 HZ2 LYS 17 1HZ LYS 17 12.081 4.177 8.865 138 HZ3 LYS 17 2HZ LYS 17 10.445 3.944 9.228 139 H GLU 18 H GLU 18 7.273 -0.185 11.594 140 HA GLU 18 HA GLU 18 5.832 0.343 9.082 141 HB3 GLU 18 2HB GLU 18 4.699 -0.472 11.753 142 HG3 GLU 18 2HG GLU 18 2.478 -0.251 10.391 143 H GLU 19 H GLU 19 4.956 2.375 8.839 144 HA GLU 19 HA GLU 19 4.967 4.268 11.018 145 HB3 GLU 19 2HB GLU 19 6.597 5.071 8.638 146 HG3 GLU 19 2HG GLU 19 6.313 5.976 11.460 147 H THR 20 H THR 20 4.108 6.398 10.337 148 HA THR 20 HA THR 20 2.120 6.026 8.211 149 HB THR 20 HB THR 20 1.000 8.026 9.259 150 HG1 THR 20 1HG THR 20 2.653 7.547 11.505 151 HG21 THR 20 3HG2 THR 20 1.157 6.155 11.504 152 HG22 THR 20 1HG2 THR 20 0.886 5.375 9.946 153 HG23 THR 20 2HG2 THR 20 -0.225 6.621 10.514 154 H PHE 21 H PHE 21 1.639 7.784 6.769 155 HA PHE 21 HA PHE 21 3.842 9.703 6.425 156 HB3 PHE 21 2HB PHE 21 2.505 8.049 4.276 157 HD1 PHE 21 1HD PHE 21 5.697 9.911 4.325 158 HD2 PHE 21 2HD PHE 21 1.797 9.591 2.649 159 HE1 PHE 21 1HE PHE 21 6.298 11.576 2.617 160 HE2 PHE 21 2HE PHE 21 2.393 11.256 0.938 161 HZ PHE 21 HZ PHE 21 4.646 12.249 0.920 162 H ASN 22 H ASN 22 3.286 11.736 5.712 163 HA ASN 22 HA ASN 22 0.415 12.256 5.320 164 HB3 ASN 22 2HB ASN 22 0.840 13.036 7.518 165 HD21 ASN 22 1HD2 ASN 22 2.047 14.223 9.059 166 HD22 ASN 22 2HD2 ASN 22 3.747 14.453 8.861 167 H GLY 23 H GLY 23 -0.067 14.228 4.122 168 HA2 GLY 23 2HA GLY 23 1.127 16.107 2.876 169 HA3 GLY 23 3HA GLY 23 2.058 14.801 2.157 170 H ILE 24 H ILE 24 0.324 12.935 1.453 171 HA ILE 24 HA ILE 24 -1.547 14.338 -0.340 172 HB ILE 24 HB ILE 24 0.324 13.173 -1.488 173 HG13 ILE 24 2HG1 ILE 24 -2.345 13.230 -2.146 174 HG21 ILE 24 1HG2 ILE 24 0.963 11.135 -0.888 175 HG22 ILE 24 2HG2 ILE 24 -0.293 11.124 0.347 176 HG23 ILE 24 3HG2 ILE 24 -0.634 10.493 -1.264 177 HD11 ILE 24 3HD1 ILE 24 -0.876 11.892 -4.230 178 HD12 ILE 24 1HD1 ILE 24 -1.551 13.520 -4.192 179 HD13 ILE 24 2HD1 ILE 24 0.056 13.216 -3.533 180 H SER 25 H SER 25 -3.598 13.463 -0.690 181 HA SER 25 HA SER 25 -4.445 11.485 1.325 182 HB3 SER 25 2HB SER 25 -6.770 12.645 0.768 183 HG SER 25 HG SER 25 -6.360 14.038 2.527 184 H LYS 26 H LYS 26 -3.467 10.318 -0.820 185 HA LYS 26 HA LYS 26 -5.818 9.174 -2.089 186 HB3 LYS 26 2HB LYS 26 -4.713 9.321 -4.354 187 HG3 LYS 26 2HG LYS 26 -5.347 12.010 -3.159 188 HD3 LYS 26 2HD LYS 26 -6.212 12.420 -5.481 189 HE3 LYS 26 2HE LYS 26 -3.290 11.756 -5.582 190 HZ1 LYS 26 3HZ LYS 26 -4.502 12.876 -7.463 191 HZ2 LYS 26 1HZ LYS 26 -3.144 13.696 -6.874 192 HZ3 LYS 26 2HZ LYS 26 -4.697 14.213 -6.446 193 H ILE 27 H ILE 27 -5.274 7.190 -3.325 194 HA ILE 27 HA ILE 27 -3.343 5.635 -1.845 195 HB ILE 27 HB ILE 27 -5.257 4.885 -4.053 196 HG13 ILE 27 2HG1 ILE 27 -6.518 3.795 -2.317 197 HG21 ILE 27 1HG2 ILE 27 -4.668 2.536 -3.483 198 HG22 ILE 27 2HG2 ILE 27 -3.356 3.438 -4.242 199 HG23 ILE 27 3HG2 ILE 27 -3.339 3.155 -2.503 200 HD11 ILE 27 3HD1 ILE 27 -4.306 4.591 -0.440 201 HD12 ILE 27 1HD1 ILE 27 -5.886 3.995 0.062 202 HD13 ILE 27 2HD1 ILE 27 -4.806 2.954 -0.865 203 H SER 28 H SER 28 -3.556 7.181 -4.940 204 HA SER 28 HA SER 28 -1.708 5.735 -6.426 205 HB3 SER 28 2HB SER 28 -2.740 8.517 -6.474 206 HG SER 28 HG SER 28 -0.989 9.324 -7.279 207 H GLU 29 H GLU 29 -1.110 8.615 -4.410 208 HA GLU 29 HA GLU 29 1.730 8.411 -4.685 209 HB3 GLU 29 2HB GLU 29 1.323 10.011 -2.489 210 HG3 GLU 29 2HG GLU 29 1.517 11.907 -3.933 211 H LEU 30 H LEU 30 -0.614 7.556 -2.182 212 HA LEU 30 HA LEU 30 1.111 6.875 -0.123 213 HB3 LEU 30 2HB LEU 30 -1.594 5.911 -0.947 214 HG LEU 30 HG LEU 30 -0.802 3.921 0.115 215 HD11 LEU 30 1HD1 LEU 30 -0.074 4.454 2.672 216 HD12 LEU 30 2HD1 LEU 30 0.626 5.832 1.823 217 HD13 LEU 30 3HD1 LEU 30 1.056 4.191 1.342 218 HD21 LEU 30 3HD2 LEU 30 -2.064 4.302 2.453 219 HD22 LEU 30 1HD2 LEU 30 -2.907 4.092 0.918 220 HD23 LEU 30 2HD2 LEU 30 -2.648 5.713 1.567 221 H LEU 31 H LEU 31 -0.165 4.767 -2.694 222 HA LEU 31 HA LEU 31 1.379 2.511 -1.892 223 HB3 LEU 31 2HB LEU 31 0.763 1.756 -4.295 224 HG LEU 31 HG LEU 31 -1.509 2.355 -2.402 225 HD11 LEU 31 1HD1 LEU 31 -2.832 0.927 -3.623 226 HD12 LEU 31 2HD1 LEU 31 -1.457 0.105 -4.360 227 HD13 LEU 31 3HD1 LEU 31 -1.913 1.719 -4.904 228 HD21 LEU 31 3HD2 LEU 31 0.024 1.053 -1.193 229 HD22 LEU 31 1HD2 LEU 31 0.435 0.074 -2.602 230 HD23 LEU 31 2HD2 LEU 31 -1.143 -0.104 -1.836 231 H GLU 32 H GLU 32 1.673 4.820 -4.587 232 HA GLU 32 HA GLU 32 3.955 3.807 -5.776 233 HB3 GLU 32 2HB GLU 32 3.256 6.732 -5.479 234 HG3 GLU 32 2HG GLU 32 4.900 5.245 -7.505 235 H ARG 33 H ARG 33 3.618 5.670 -2.849 236 HA ARG 33 HA ARG 33 6.379 6.367 -2.606 237 HB3 ARG 33 2HB ARG 33 4.182 6.275 -0.532 238 HG3 ARG 33 2HG ARG 33 6.579 6.302 0.344 239 HD3 ARG 33 2HD ARG 33 6.400 9.018 -0.939 240 HE ARG 33 HE ARG 33 7.499 8.614 1.544 241 HH11 ARG 33 1HH1 ARG 33 8.671 9.569 -1.592 242 HH12 ARG 33 2HH1 ARG 33 9.954 10.546 -0.959 243 HH21 ARG 33 1HH2 ARG 33 9.183 9.898 2.390 244 HH22 ARG 33 2HH2 ARG 33 10.245 10.732 1.306 245 H LEU 34 H LEU 34 4.323 3.837 -1.208 246 HA LEU 34 HA LEU 34 6.405 2.677 0.354 247 HB3 LEU 34 2HB LEU 34 4.641 0.662 0.109 248 HG LEU 34 HG LEU 34 5.107 1.743 2.261 249 HD11 LEU 34 1HD1 LEU 34 4.800 4.075 1.424 250 HD12 LEU 34 2HD1 LEU 34 3.992 3.735 2.954 251 HD13 LEU 34 3HD1 LEU 34 3.058 3.799 1.460 252 HD21 LEU 34 3HD2 LEU 34 3.234 0.173 2.045 253 HD22 LEU 34 1HD2 LEU 34 2.160 1.517 1.660 254 HD23 LEU 34 2HD2 LEU 34 2.912 1.418 3.252 255 H LYS 35 H LYS 35 5.232 2.233 -2.903 256 HA LYS 35 HA LYS 35 6.243 -0.259 -3.540 257 HB3 LYS 35 2HB LYS 35 5.912 2.250 -5.167 258 HG3 LYS 35 2HG LYS 35 7.115 -0.335 -6.019 259 HD3 LYS 35 2HD LYS 35 4.995 -0.207 -7.257 260 HE3 LYS 35 2HE LYS 35 5.857 2.587 -7.578 261 HZ1 LYS 35 3HZ LYS 35 4.414 2.509 -9.747 262 HZ2 LYS 35 1HZ LYS 35 5.059 0.950 -9.871 263 HZ3 LYS 35 2HZ LYS 35 6.090 2.288 -9.808 264 H VAL 36 H VAL 36 7.898 2.884 -3.785 265 HA VAL 36 HA VAL 36 10.394 1.707 -4.552 266 HB VAL 36 HB VAL 36 9.839 3.985 -5.233 267 HG11 VAL 36 1HG1 VAL 36 9.791 5.818 -3.638 268 HG12 VAL 36 2HG1 VAL 36 8.555 4.624 -3.237 269 HG13 VAL 36 3HG1 VAL 36 10.053 4.690 -2.307 270 HG21 VAL 36 3HG2 VAL 36 11.966 4.896 -4.967 271 HG22 VAL 36 1HG2 VAL 36 12.153 4.233 -3.344 272 HG23 VAL 36 2HG2 VAL 36 12.236 3.168 -4.748 273 H GLU 37 H GLU 37 8.956 2.809 -1.538 274 HA GLU 37 HA GLU 37 11.246 2.804 0.069 275 HB3 GLU 37 2HB GLU 37 8.418 2.114 0.884 276 HG3 GLU 37 2HG GLU 37 10.333 1.728 2.551 277 H TYR 38 H TYR 38 8.870 0.219 -0.511 278 HA TYR 38 HA TYR 38 10.657 -1.690 0.805 279 HB3 TYR 38 2HB TYR 38 8.738 -3.239 0.703 280 HD1 TYR 38 2HD TYR 38 9.936 -1.996 2.917 281 HD2 TYR 38 1HD TYR 38 6.172 -1.084 1.156 282 HE1 TYR 38 2HE TYR 38 9.163 -1.071 5.061 283 HE2 TYR 38 1HE TYR 38 5.390 -0.155 3.294 284 HH TYR 38 HH TYR 38 7.548 0.108 6.083 285 H GLY 39 H GLY 39 10.592 -0.438 -2.105 286 HA2 GLY 39 2HA GLY 39 11.502 -1.143 -4.101 287 HA3 GLY 39 3HA GLY 39 11.823 -2.696 -3.345 288 H SER 40 H SER 40 11.087 -2.745 -5.916 289 HA SER 40 HA SER 40 8.337 -2.817 -6.461 290 HB3 SER 40 2HB SER 40 10.410 -2.914 -8.063 291 HG SER 40 HG SER 40 11.319 -4.790 -8.189 292 H GLU 41 H GLU 41 10.495 -5.175 -5.049 293 HA GLU 41 HA GLU 41 9.075 -7.519 -5.350 294 HB3 GLU 41 2HB GLU 41 10.201 -8.332 -3.380 295 HG3 GLU 41 2HG GLU 41 12.459 -7.894 -3.840 296 H PHE 42 H PHE 42 8.412 -4.802 -3.265 297 HA PHE 42 HA PHE 42 6.475 -6.155 -1.645 298 HB3 PHE 42 2HB PHE 42 6.875 -3.185 -2.055 299 HD1 PHE 42 2HD PHE 42 4.360 -3.004 -1.871 300 HD2 PHE 42 1HD PHE 42 6.804 -4.586 1.234 301 HE1 PHE 42 2HE PHE 42 2.547 -2.620 -0.252 302 HE2 PHE 42 1HE PHE 42 4.994 -4.205 2.857 303 HZ PHE 42 HZ PHE 42 2.862 -3.220 2.115 304 H THR 43 H THR 43 6.234 -3.703 -4.218 305 HA THR 43 HA THR 43 3.436 -3.667 -4.370 306 HB THR 43 HB THR 43 4.819 -3.236 -6.930 307 HG1 THR 43 1HG THR 43 6.516 -2.511 -5.728 308 HG21 THR 43 3HG2 THR 43 2.610 -2.188 -5.416 309 HG22 THR 43 1HG2 THR 43 2.988 -1.978 -7.125 310 HG23 THR 43 2HG2 THR 43 3.670 -0.876 -5.929 311 H LYS 44 H LYS 44 5.827 -5.732 -5.911 312 HA LYS 44 HA LYS 44 3.973 -6.989 -7.693 313 HB3 LYS 44 2HB LYS 44 5.837 -8.652 -7.997 314 HG3 LYS 44 2HG LYS 44 6.533 -5.735 -8.249 315 HD3 LYS 44 2HD LYS 44 8.515 -7.340 -8.214 316 HE3 LYS 44 2HE LYS 44 7.477 -8.085 -10.939 317 HZ1 LYS 44 3HZ LYS 44 9.721 -8.446 -10.987 318 HZ2 LYS 44 1HZ LYS 44 9.199 -9.939 -10.385 319 HZ3 LYS 44 2HZ LYS 44 9.833 -8.777 -9.331 320 H GLN 45 H GLN 45 5.368 -7.796 -4.545 321 HA GLN 45 HA GLN 45 4.314 -10.390 -4.330 322 HB3 GLN 45 2HB GLN 45 4.978 -8.400 -2.153 323 HG3 GLN 45 2HG GLN 45 3.565 -10.411 -1.474 324 HE21 GLN 45 1HE2 GLN 45 4.539 -12.458 -0.096 325 HE22 GLN 45 2HE2 GLN 45 5.241 -13.645 -1.136 326 H MET 46 H MET 46 3.000 -7.238 -3.417 327 HA MET 46 HA MET 46 0.506 -8.515 -2.566 328 HB3 MET 46 2HB MET 46 1.517 -6.826 -1.074 329 HG3 MET 46 2HG MET 46 2.055 -5.374 -3.329 330 HE1 MET 46 3HE MET 46 -1.195 -3.054 -1.102 331 HE2 MET 46 1HE MET 46 0.021 -4.139 -0.425 332 HE3 MET 46 2HE MET 46 0.479 -2.519 -0.948 333 H TYR 47 H TYR 47 1.747 -7.633 -5.389 334 HA TYR 47 HA TYR 47 -0.729 -7.473 -6.722 335 HB3 TYR 47 2HB TYR 47 0.575 -4.909 -7.275 336 HD1 TYR 47 2HD TYR 47 -2.486 -6.488 -5.819 337 HD2 TYR 47 1HD TYR 47 -0.878 -3.637 -8.538 338 HE1 TYR 47 2HE TYR 47 -4.756 -5.971 -6.611 339 HE2 TYR 47 1HE TYR 47 -3.144 -3.112 -9.337 340 HH TYR 47 HH TYR 47 -5.929 -4.975 -8.319 341 H ASP 48 H ASP 48 0.365 -9.120 -7.866 342 HA ASP 48 HA ASP 48 2.636 -8.284 -9.519 343 HB3 ASP 48 2HB ASP 48 1.472 -11.059 -9.238 344 H GLY 49 H GLY 49 1.810 -7.150 -11.210 345 HA2 GLY 49 2HA GLY 49 1.069 -7.150 -13.438 346 HA3 GLY 49 3HA GLY 49 0.250 -8.677 -13.143 347 H ASN 50 H ASN 50 -0.024 -5.687 -11.274 348 HA ASN 50 HA ASN 50 -1.788 -4.324 -10.826 349 HB3 ASN 50 2HB ASN 50 -3.323 -3.794 -12.569 350 HD21 ASN 50 1HD2 ASN 50 -1.455 -2.343 -12.499 351 HD22 ASN 50 2HD2 ASN 50 -0.355 -2.350 -13.833 352 H ASN 51 H ASN 51 -1.760 -7.332 -10.252 353 HA ASN 51 HA ASN 51 -4.398 -7.395 -9.065 354 HB3 ASN 51 2HB ASN 51 -3.571 -9.653 -10.898 355 HD21 ASN 51 1HD2 ASN 51 -6.523 -8.037 -9.782 356 HD22 ASN 51 2HD2 ASN 51 -7.299 -9.473 -9.216 357 H LEU 52 H LEU 52 -4.647 -9.178 -7.535 358 HA LEU 52 HA LEU 52 -2.413 -9.503 -5.888 359 HB3 LEU 52 2HB LEU 52 -3.745 -10.966 -4.577 360 HG LEU 52 HG LEU 52 -5.664 -9.053 -5.906 361 HD11 LEU 52 1HD1 LEU 52 -7.154 -10.348 -4.803 362 HD12 LEU 52 2HD1 LEU 52 -6.627 -9.371 -3.434 363 HD13 LEU 52 3HD1 LEU 52 -5.947 -10.979 -3.682 364 HD21 LEU 52 3HD2 LEU 52 -4.276 -7.567 -4.943 365 HD22 LEU 52 1HD2 LEU 52 -3.563 -8.768 -3.867 366 HD23 LEU 52 2HD2 LEU 52 -5.116 -8.033 -3.464 367 H PHE 53 H PHE 53 -0.809 -10.958 -5.789 368 HA PHE 53 HA PHE 53 -0.477 -12.801 -7.971 369 HB3 PHE 53 2HB PHE 53 1.253 -12.412 -5.520 370 HD1 PHE 53 1HD PHE 53 1.141 -13.519 -9.073 371 HD2 PHE 53 2HD PHE 53 3.135 -13.726 -5.319 372 HE1 PHE 53 1HE PHE 53 2.641 -15.251 -9.970 373 HE2 PHE 53 2HE PHE 53 4.639 -15.458 -6.210 374 HZ PHE 53 HZ PHE 53 4.394 -16.222 -8.538 375 H LYS 54 H LYS 54 -0.236 -13.301 -4.448 376 HA LYS 54 HA LYS 54 -0.938 -16.098 -4.794 377 HB3 LYS 54 2HB LYS 54 -0.223 -14.538 -2.304 378 HG3 LYS 54 2HG LYS 54 -1.526 -16.667 -1.926 379 HD3 LYS 54 2HD LYS 54 0.447 -18.566 -2.086 380 HE3 LYS 54 2HE LYS 54 -1.320 -18.369 -4.441 381 HZ1 LYS 54 3HZ LYS 54 -0.499 -20.371 -2.479 382 HZ2 LYS 54 1HZ LYS 54 -0.634 -20.497 -4.161 383 HZ3 LYS 54 2HZ LYS 54 -2.020 -20.569 -3.194 384 H ASN 55 H ASN 55 -2.120 -13.378 -2.811 385 HA ASN 55 HA ASN 55 -4.769 -13.483 -3.349 386 HB3 ASN 55 2HB ASN 55 -5.210 -14.933 -1.010 387 HD21 ASN 55 1HD2 ASN 55 -5.285 -17.550 -2.371 388 HD22 ASN 55 2HD2 ASN 55 -6.575 -17.433 -3.515 389 H VAL 56 H VAL 56 -2.779 -11.705 -2.395 390 HA VAL 56 HA VAL 56 -3.128 -11.065 0.343 391 HB VAL 56 HB VAL 56 -2.340 -9.095 -1.796 392 HG11 VAL 56 1HG1 VAL 56 -2.744 -8.325 0.557 393 HG12 VAL 56 2HG1 VAL 56 -1.396 -9.351 1.053 394 HG13 VAL 56 3HG1 VAL 56 -1.122 -8.010 -0.060 395 HG21 VAL 56 3HG2 VAL 56 0.033 -9.905 -1.157 396 HG22 VAL 56 1HG2 VAL 56 -0.788 -11.375 -0.631 397 HG23 VAL 56 2HG2 VAL 56 -0.909 -10.851 -2.310 398 H ILE 57 H ILE 57 -4.565 -9.785 1.368 399 HA ILE 57 HA ILE 57 -6.563 -8.374 -0.275 400 HB ILE 57 HB ILE 57 -7.089 -9.908 2.273 401 HG13 ILE 57 2HG1 ILE 57 -6.849 -10.952 -0.214 402 HG21 ILE 57 1HG2 ILE 57 -9.521 -9.254 1.205 403 HG22 ILE 57 2HG2 ILE 57 -8.734 -8.417 2.542 404 HG23 ILE 57 3HG2 ILE 57 -8.570 -7.802 0.897 405 HD11 ILE 57 3HD1 ILE 57 -7.647 -11.943 2.165 406 HD12 ILE 57 1HD1 ILE 57 -9.127 -12.114 1.221 407 HD13 ILE 57 2HD1 ILE 57 -7.630 -12.860 0.658 408 H ILE 58 H ILE 58 -6.155 -6.277 0.005 409 HA ILE 58 HA ILE 58 -5.761 -5.302 2.758 410 HB ILE 58 HB ILE 58 -3.710 -4.741 1.959 411 HG13 ILE 58 2HG1 ILE 58 -5.069 -2.633 2.380 412 HG21 ILE 58 1HG2 ILE 58 -5.007 -4.862 -0.722 413 HG22 ILE 58 2HG2 ILE 58 -3.474 -4.010 -0.546 414 HG23 ILE 58 3HG2 ILE 58 -3.589 -5.717 -0.116 415 HD11 ILE 58 3HD1 ILE 58 -2.738 -2.315 2.297 416 HD12 ILE 58 1HD1 ILE 58 -2.694 -2.537 0.549 417 HD13 ILE 58 2HD1 ILE 58 -3.440 -1.095 1.236 418 H LEU 59 H LEU 59 -7.180 -3.832 3.442 419 HA LEU 59 HA LEU 59 -8.865 -2.490 1.431 420 HB3 LEU 59 2HB LEU 59 -10.530 -2.358 3.382 421 HG LEU 59 HG LEU 59 -9.934 -4.996 2.063 422 HD11 LEU 59 1HD1 LEU 59 -12.549 -4.554 3.367 423 HD12 LEU 59 2HD1 LEU 59 -11.186 -4.920 4.423 424 HD13 LEU 59 3HD1 LEU 59 -11.628 -6.040 3.136 425 HD21 LEU 59 3HD2 LEU 59 -10.887 -2.814 0.917 426 HD22 LEU 59 1HD2 LEU 59 -12.393 -3.383 1.637 427 HD23 LEU 59 2HD2 LEU 59 -11.507 -4.416 0.515 428 H VAL 60 H VAL 60 -9.046 -0.321 1.513 429 HA VAL 60 HA VAL 60 -7.410 1.082 3.485 430 HB VAL 60 HB VAL 60 -7.134 1.586 1.060 431 HG11 VAL 60 1HG1 VAL 60 -8.825 2.909 -0.088 432 HG12 VAL 60 2HG1 VAL 60 -9.485 1.349 0.406 433 HG13 VAL 60 3HG1 VAL 60 -9.881 2.806 1.320 434 HG21 VAL 60 3HG2 VAL 60 -6.291 3.449 1.940 435 HG22 VAL 60 1HG2 VAL 60 -7.862 4.207 1.679 436 HG23 VAL 60 2HG2 VAL 60 -7.495 3.452 3.230 437 H ASN 61 H ASN 61 -8.204 2.411 5.017 438 HA ASN 61 HA ASN 61 -9.766 3.114 6.545 439 HB3 ASN 61 2HB ASN 61 -9.671 4.999 5.001 440 HD21 ASN 61 1HD2 ASN 61 -9.450 5.241 2.901 441 HD22 ASN 61 2HD2 ASN 61 -10.607 4.790 1.698 442 H GLY 62 H GLY 62 -10.269 0.462 5.752 443 HA2 GLY 62 2HA GLY 62 -11.907 -1.142 5.861 444 HA3 GLY 62 3HA GLY 62 -12.859 0.065 6.715 445 H ASN 63 H ASN 63 -11.712 -0.297 3.356 446 HA ASN 63 HA ASN 63 -14.201 -0.858 2.224 447 HB3 ASN 63 2HB ASN 63 -13.942 1.779 1.214 448 HD21 ASN 63 1HD2 ASN 63 -15.642 -0.244 0.747 449 HD22 ASN 63 2HD2 ASN 63 -17.214 0.125 1.362 450 H ASN 64 H ASN 64 -13.649 -1.836 0.401 451 HA ASN 64 HA ASN 64 -11.102 -1.701 -0.754 452 HB3 ASN 64 2HB ASN 64 -12.632 -3.614 -1.043 453 HD21 ASN 64 1HD2 ASN 64 -13.614 -3.330 -4.001 454 HD22 ASN 64 2HD2 ASN 64 -15.268 -2.877 -3.794 455 H ILE 65 H ILE 65 -10.242 -0.564 -2.425 456 HA ILE 65 HA ILE 65 -11.487 1.917 -3.121 457 HB ILE 65 HB ILE 65 -9.503 2.367 -4.436 458 HG13 ILE 65 2HG1 ILE 65 -9.202 0.176 -5.464 459 HG21 ILE 65 1HG2 ILE 65 -9.566 2.187 -1.780 460 HG22 ILE 65 2HG2 ILE 65 -8.305 0.998 -2.101 461 HG23 ILE 65 3HG2 ILE 65 -8.114 2.658 -2.663 462 HD11 ILE 65 3HD1 ILE 65 -7.081 0.674 -5.810 463 HD12 ILE 65 1HD1 ILE 65 -7.053 1.662 -4.350 464 HD13 ILE 65 2HD1 ILE 65 -6.666 -0.056 -4.260 465 H THR 66 H THR 66 -11.093 -1.199 -4.654 466 HA THR 66 HA THR 66 -11.642 -0.515 -7.306 467 HB THR 66 HB THR 66 -12.510 -2.885 -7.508 468 HG1 THR 66 1HG THR 66 -11.569 -3.242 -4.866 469 HG21 THR 66 3HG2 THR 66 -9.891 -1.914 -7.033 470 HG22 THR 66 1HG2 THR 66 -10.375 -3.339 -7.950 471 HG23 THR 66 2HG2 THR 66 -10.032 -3.475 -6.225 472 H SER 67 H SER 67 -13.736 -0.795 -4.550 473 HA SER 67 HA SER 67 -16.204 -1.258 -5.678 474 HB3 SER 67 2HB SER 67 -16.076 0.876 -3.608 475 HG SER 67 HG SER 67 -18.038 0.025 -3.727 476 H MET 68 H MET 68 -14.502 1.843 -5.378 477 HA MET 68 HA MET 68 -16.395 2.968 -7.338 478 HB3 MET 68 2HB MET 68 -16.837 4.443 -5.693 479 HG3 MET 68 2HG MET 68 -14.166 3.890 -4.424 480 HE1 MET 68 3HE MET 68 -15.503 7.350 -4.600 481 HE2 MET 68 1HE MET 68 -14.232 7.360 -3.377 482 HE3 MET 68 2HE MET 68 -14.064 6.351 -4.813 483 H LYS 69 H LYS 69 -13.261 4.066 -6.072 484 HA LYS 69 HA LYS 69 -12.233 4.037 -8.834 485 HB3 LYS 69 2HB LYS 69 -10.764 5.996 -7.924 486 HG3 LYS 69 2HG LYS 69 -12.516 7.677 -8.436 487 HD3 LYS 69 2HD LYS 69 -12.421 5.339 -10.344 488 HE3 LYS 69 2HE LYS 69 -14.123 7.065 -10.875 489 HZ1 LYS 69 3HZ LYS 69 -13.397 9.091 -10.152 490 HZ2 LYS 69 1HZ LYS 69 -12.957 9.196 -11.784 491 HZ3 LYS 69 2HZ LYS 69 -11.791 8.826 -10.615 492 H GLY 70 H GLY 70 -10.414 2.919 -9.149 493 HA2 GLY 70 2HA GLY 70 -9.255 1.323 -7.171 494 HA3 GLY 70 3HA GLY 70 -8.521 1.694 -8.725 495 H LEU 71 H LEU 71 -6.895 3.183 -8.845 496 HA LEU 71 HA LEU 71 -5.571 3.831 -6.385 497 HB3 LEU 71 2HB LEU 71 -4.540 5.203 -8.716 498 HG LEU 71 HG LEU 71 -3.200 4.444 -6.689 499 HD11 LEU 71 1HD1 LEU 71 -3.347 1.820 -8.165 500 HD12 LEU 71 2HD1 LEU 71 -4.020 2.161 -6.571 501 HD13 LEU 71 3HD1 LEU 71 -2.272 2.181 -6.815 502 HD21 LEU 71 3HD2 LEU 71 -2.033 3.540 -9.302 503 HD22 LEU 71 1HD2 LEU 71 -1.225 4.318 -7.941 504 HD23 LEU 71 2HD2 LEU 71 -2.334 5.243 -8.954 505 H ASP 72 H ASP 72 -7.895 5.361 -8.332 506 HA ASP 72 HA ASP 72 -7.186 8.072 -7.723 507 HB3 ASP 72 2HB ASP 72 -9.801 8.225 -8.438 508 H THR 73 H THR 73 -8.432 5.617 -5.881 509 HA THR 73 HA THR 73 -10.474 6.844 -4.403 510 HB THR 73 HB THR 73 -8.764 4.481 -4.084 511 HG1 THR 73 1HG THR 73 -10.968 3.882 -3.103 512 HG21 THR 73 3HG2 THR 73 -9.393 4.232 -1.661 513 HG22 THR 73 1HG2 THR 73 -9.818 5.943 -1.665 514 HG23 THR 73 2HG2 THR 73 -8.157 5.446 -1.985 515 H GLU 74 H GLU 74 -10.479 8.356 -2.861 516 HA GLU 74 HA GLU 74 -7.959 9.575 -2.100 517 HB3 GLU 74 2HB GLU 74 -9.976 10.914 -2.769 518 HG3 GLU 74 2HG GLU 74 -11.004 10.438 0.000 519 H ILE 75 H ILE 75 -7.697 10.264 0.228 520 HA ILE 75 HA ILE 75 -8.838 8.403 2.162 521 HB ILE 75 HB ILE 75 -6.404 8.156 3.090 522 HG13 ILE 75 2HG1 ILE 75 -5.397 9.663 1.404 523 HG21 ILE 75 1HG2 ILE 75 -7.729 6.268 2.462 524 HG22 ILE 75 2HG2 ILE 75 -7.501 6.612 0.748 525 HG23 ILE 75 3HG2 ILE 75 -6.136 6.078 1.729 526 HD11 ILE 75 3HD1 ILE 75 -4.330 7.284 2.246 527 HD12 ILE 75 1HD1 ILE 75 -4.150 7.202 0.495 528 HD13 ILE 75 2HD1 ILE 75 -3.468 8.561 1.388 529 H LYS 76 H LYS 76 -8.581 9.068 4.353 530 HA LYS 76 HA LYS 76 -7.997 11.941 4.613 531 HB3 LYS 76 2HB LYS 76 -9.439 11.763 6.690 532 HG3 LYS 76 2HG LYS 76 -11.029 10.895 4.309 533 HD3 LYS 76 2HD LYS 76 -11.976 11.543 6.632 534 HE3 LYS 76 2HE LYS 76 -11.130 14.203 5.511 535 HZ1 LYS 76 3HZ LYS 76 -13.555 13.594 6.833 536 HZ2 LYS 76 1HZ LYS 76 -13.003 15.086 6.254 537 HZ3 LYS 76 2HZ LYS 76 -12.602 14.585 7.819 538 H ASP 77 H ASP 77 -7.429 12.499 7.007 539 HA ASP 77 HA ASP 77 -4.938 11.255 7.568 540 HB3 ASP 77 2HB ASP 77 -5.327 13.620 8.057 541 H ASP 78 H ASP 78 -8.158 11.014 8.970 542 HA ASP 78 HA ASP 78 -7.333 9.367 11.166 543 HB3 ASP 78 2HB ASP 78 -10.151 9.496 10.135 544 H ASP 79 H ASP 79 -8.348 8.832 7.889 545 HA ASP 79 HA ASP 79 -9.255 6.227 7.951 546 HB3 ASP 79 2HB ASP 79 -8.120 6.093 5.616 547 H LYS 80 H LYS 80 -8.220 4.203 7.511 548 HA LYS 80 HA LYS 80 -5.342 4.064 7.983 549 HB3 LYS 80 2HB LYS 80 -6.494 3.893 10.203 550 HG3 LYS 80 2HG LYS 80 -7.561 1.321 9.054 551 HD3 LYS 80 2HD LYS 80 -7.721 2.380 11.876 552 HE3 LYS 80 2HE LYS 80 -8.437 -0.391 11.037 553 HZ1 LYS 80 3HZ LYS 80 -9.507 1.434 13.123 554 HZ2 LYS 80 1HZ LYS 80 -8.381 0.199 13.384 555 HZ3 LYS 80 2HZ LYS 80 -9.954 -0.182 12.896 556 H ILE 81 H ILE 81 -4.360 2.405 6.935 557 HA ILE 81 HA ILE 81 -6.097 0.682 5.309 558 HB ILE 81 HB ILE 81 -3.162 1.284 4.932 559 HG13 ILE 81 2HG1 ILE 81 -5.644 2.607 3.978 560 HG21 ILE 81 1HG2 ILE 81 -5.006 -0.611 3.706 561 HG22 ILE 81 2HG2 ILE 81 -4.176 0.413 2.536 562 HG23 ILE 81 3HG2 ILE 81 -3.244 -0.562 3.673 563 HD11 ILE 81 3HD1 ILE 81 -2.841 3.469 4.572 564 HD12 ILE 81 1HD1 ILE 81 -3.963 4.504 3.689 565 HD13 ILE 81 2HD1 ILE 81 -4.347 3.986 5.331 566 H ASP 82 H ASP 82 -5.934 -1.515 5.352 567 HA ASP 82 HA ASP 82 -4.083 -2.660 7.341 568 HB3 ASP 82 2HB ASP 82 -5.760 -4.367 7.818 569 H LEU 83 H LEU 83 -3.219 -4.738 6.902 570 HA LEU 83 HA LEU 83 -3.443 -5.610 4.101 571 HB3 LEU 83 2HB LEU 83 -0.925 -5.371 5.741 572 HG LEU 83 HG LEU 83 0.179 -5.833 3.447 573 HD11 LEU 83 1HD1 LEU 83 0.691 -7.944 4.165 574 HD12 LEU 83 2HD1 LEU 83 -0.965 -8.302 4.652 575 HD13 LEU 83 3HD1 LEU 83 0.039 -7.253 5.652 576 HD21 LEU 83 3HD2 LEU 83 -2.088 -7.681 2.970 577 HD22 LEU 83 1HD2 LEU 83 -0.976 -6.927 1.826 578 HD23 LEU 83 2HD2 LEU 83 -2.307 -5.992 2.509 579 H PHE 84 H PHE 84 -4.056 -7.656 3.940 580 HA PHE 84 HA PHE 84 -3.472 -9.478 6.182 581 HB3 PHE 84 2HB PHE 84 -5.557 -10.713 5.106 582 HD1 PHE 84 2HD PHE 84 -5.612 -11.238 7.472 583 HD2 PHE 84 1HD PHE 84 -6.558 -7.337 6.056 584 HE1 PHE 84 2HE PHE 84 -6.612 -10.693 9.653 585 HE2 PHE 84 1HE PHE 84 -7.559 -6.786 8.235 586 HZ PHE 84 HZ PHE 84 -7.589 -8.465 10.036 587 HA PRO 85 HA PRO 85 -1.175 -11.888 3.288 588 HB3 PRO 85 2HB PRO 85 -0.109 -12.777 5.119 589 HG3 PRO 85 2HG PRO 85 -1.238 -13.094 7.127 590 HD3 PRO 85 2HD PRO 85 -1.805 -10.902 6.695 591 HA PRO 86 HA PRO 86 -3.950 -14.345 0.923 592 HB3 PRO 86 2HB PRO 86 -2.264 -14.578 -0.621 593 HG3 PRO 86 2HG PRO 86 -0.051 -14.831 0.050 594 HD3 PRO 86 2HD PRO 86 -0.637 -12.986 1.301 595 H VAL 87 H VAL 87 -5.208 -16.193 0.983 596 HA VAL 87 HA VAL 87 -5.479 -17.555 3.388 597 HB VAL 87 HB VAL 87 -6.831 -19.228 2.054 598 HG11 VAL 87 1HG1 VAL 87 -7.408 -16.671 2.865 599 HG12 VAL 87 2HG1 VAL 87 -7.933 -16.672 1.181 600 HG13 VAL 87 3HG1 VAL 87 -8.584 -17.862 2.309 601 HG21 VAL 87 3HG2 VAL 87 -6.185 -17.356 -0.223 602 HG22 VAL 87 1HG2 VAL 87 -5.568 -18.999 -0.048 603 HG23 VAL 87 2HG2 VAL 87 -7.295 -18.725 -0.274 604 H ALA 88 H ALA 88 -3.428 -18.221 0.665 605 HA ALA 88 HA ALA 88 -2.639 -20.793 1.859 606 HB1 ALA 88 1HB ALA 88 -1.992 -21.550 -0.237 607 HB2 ALA 88 2HB ALA 88 -3.438 -20.603 -0.589 608 HB3 ALA 88 3HB ALA 88 -1.841 -19.919 -0.890 609 H GLY 89 H GLY 89 -1.720 -18.479 3.096 610 HA2 GLY 89 2HA GLY 89 1.140 -18.525 2.352 611 HA3 GLY 89 3HA GLY 89 0.333 -17.055 2.875 612 H GLY 90 H GLY 90 -0.352 -16.879 5.076 613 HA2 GLY 90 2HA GLY 90 1.012 -18.786 6.876 614 HA3 GLY 90 3HA GLY 90 1.077 -17.048 7.136 Start of MODEL 12 1 H1 MET 1 H MET 1 -3.387 11.684 6.359 2 HA MET 1 HA MET 1 -0.795 10.944 6.737 3 HB3 MET 1 2HB MET 1 -2.296 10.994 9.351 4 HG3 MET 1 2HG MET 1 0.077 9.346 8.581 5 HE1 MET 1 3HE MET 1 -2.018 10.555 11.483 6 HE2 MET 1 1HE MET 1 -1.456 9.129 12.357 7 HE3 MET 1 2HE MET 1 -0.901 10.732 12.837 8 H VAL 2 H VAL 2 -0.490 8.730 6.528 9 HA VAL 2 HA VAL 2 -2.945 7.101 6.438 10 HB VAL 2 HB VAL 2 -2.076 5.899 4.516 11 HG11 VAL 2 1HG1 VAL 2 -2.005 7.866 2.871 12 HG12 VAL 2 2HG1 VAL 2 -3.451 7.674 3.864 13 HG13 VAL 2 3HG1 VAL 2 -2.243 8.886 4.290 14 HG21 VAL 2 3HG2 VAL 2 -0.038 7.091 3.366 15 HG22 VAL 2 1HG2 VAL 2 0.330 7.583 5.020 16 HG23 VAL 2 2HG2 VAL 2 0.218 5.870 4.613 17 H THR 3 H THR 3 -2.860 5.115 7.346 18 HA THR 3 HA THR 3 -0.256 4.224 8.405 19 HB THR 3 HB THR 3 -2.835 3.527 9.769 20 HG1 THR 3 1HG THR 3 -2.288 5.963 9.446 21 HG21 THR 3 3HG2 THR 3 0.075 3.584 10.461 22 HG22 THR 3 1HG2 THR 3 -1.107 2.295 10.693 23 HG23 THR 3 2HG2 THR 3 -1.131 3.712 11.741 24 H VAL 4 H VAL 4 0.392 2.413 7.464 25 HA VAL 4 HA VAL 4 -1.601 0.590 6.325 26 HB VAL 4 HB VAL 4 1.393 0.538 5.933 27 HG11 VAL 4 1HG1 VAL 4 -0.880 -0.807 4.480 28 HG12 VAL 4 2HG1 VAL 4 0.798 -0.808 3.935 29 HG13 VAL 4 3HG1 VAL 4 0.363 -1.584 5.458 30 HG21 VAL 4 3HG2 VAL 4 1.150 2.355 4.669 31 HG22 VAL 4 1HG2 VAL 4 0.175 1.377 3.573 32 HG23 VAL 4 2HG2 VAL 4 -0.604 2.318 4.845 33 H ARG 5 H ARG 5 -1.697 -1.576 6.851 34 HA ARG 5 HA ARG 5 -0.216 -2.350 9.277 35 HB3 ARG 5 2HB ARG 5 -2.752 -3.694 8.418 36 HG3 ARG 5 2HG ARG 5 -1.511 -3.123 11.101 37 HD3 ARG 5 2HD ARG 5 -3.349 -4.470 12.014 38 HE ARG 5 HE ARG 5 -4.864 -2.393 10.734 39 HH11 ARG 5 1HH1 ARG 5 -2.423 -3.097 13.114 40 HH12 ARG 5 2HH1 ARG 5 -2.708 -1.651 14.024 41 HH21 ARG 5 1HH2 ARG 5 -5.248 -0.484 11.923 42 HH22 ARG 5 2HH2 ARG 5 -4.316 -0.166 13.346 43 H TYR 6 H TYR 6 0.841 -4.286 9.347 44 HA TYR 6 HA TYR 6 0.796 -5.916 6.892 45 HB3 TYR 6 2HB TYR 6 3.138 -6.161 6.921 46 HD1 TYR 6 2HD TYR 6 1.993 -4.333 5.282 47 HD2 TYR 6 1HD TYR 6 4.156 -3.468 8.842 48 HE1 TYR 6 2HE TYR 6 2.469 -2.073 4.436 49 HE2 TYR 6 1HE TYR 6 4.637 -1.205 8.007 50 HH TYR 6 HH TYR 6 4.792 -0.068 5.757 51 H TYR 7 H TYR 7 1.429 -8.161 7.189 52 HA TYR 7 HA TYR 7 0.962 -9.136 9.929 53 HB3 TYR 7 2HB TYR 7 0.030 -10.631 7.489 54 HD1 TYR 7 2HD TYR 7 -1.802 -9.748 10.564 55 HD2 TYR 7 1HD TYR 7 0.321 -12.788 8.477 56 HE1 TYR 7 2HE TYR 7 -2.615 -11.416 12.179 57 HE2 TYR 7 1HE TYR 7 -0.485 -14.464 10.086 58 HH TYR 7 HH TYR 7 -2.937 -14.257 11.883 59 H ALA 8 H ALA 8 1.834 -10.566 6.781 60 HA ALA 8 HA ALA 8 4.412 -11.392 7.868 61 HB1 ALA 8 1HB ALA 8 2.665 -13.191 8.311 62 HB2 ALA 8 2HB ALA 8 2.650 -13.447 6.566 63 HB3 ALA 8 3HB ALA 8 4.138 -13.691 7.479 64 H THR 9 H THR 9 2.215 -11.350 5.093 65 HA THR 9 HA THR 9 4.048 -11.948 3.081 66 HB THR 9 HB THR 9 1.766 -11.937 2.468 67 HG1 THR 9 1HG THR 9 2.943 -11.203 0.738 68 HG21 THR 9 3HG2 THR 9 1.705 -9.462 3.992 69 HG22 THR 9 1HG2 THR 9 0.399 -10.583 3.611 70 HG23 THR 9 2HG2 THR 9 0.847 -9.326 2.458 71 H LEU 10 H LEU 10 3.585 -9.040 4.909 72 HA LEU 10 HA LEU 10 5.547 -7.661 3.198 73 HB3 LEU 10 2HB LEU 10 4.577 -5.589 4.429 74 HG LEU 10 HG LEU 10 4.185 -6.001 2.004 75 HD11 LEU 10 1HD1 LEU 10 1.906 -6.899 1.423 76 HD12 LEU 10 2HD1 LEU 10 1.812 -7.505 3.077 77 HD13 LEU 10 3HD1 LEU 10 3.074 -8.091 1.995 78 HD21 LEU 10 3HD2 LEU 10 3.259 -4.050 3.291 79 HD22 LEU 10 1HD2 LEU 10 1.737 -4.936 3.394 80 HD23 LEU 10 2HD2 LEU 10 2.379 -4.469 1.819 81 H ARG 11 H ARG 11 6.497 -9.443 5.048 82 HA ARG 11 HA ARG 11 7.201 -7.996 7.464 83 HB3 ARG 11 2HB ARG 11 7.454 -10.785 6.492 84 HG3 ARG 11 2HG ARG 11 9.386 -9.568 8.439 85 HD3 ARG 11 2HD ARG 11 8.672 -12.479 8.099 86 HE ARG 11 HE ARG 11 11.105 -11.528 8.861 87 HH11 ARG 11 1HH1 ARG 11 8.553 -13.269 10.468 88 HH12 ARG 11 2HH1 ARG 11 9.622 -14.093 11.554 89 HH21 ARG 11 1HH2 ARG 11 12.523 -12.607 10.285 90 HH22 ARG 11 2HH2 ARG 11 11.880 -13.716 11.449 91 HA PRO 12 HA PRO 12 11.588 -8.473 5.498 92 HB3 PRO 12 2HB PRO 12 11.749 -10.451 4.341 93 HG3 PRO 12 2HG PRO 12 9.923 -11.325 3.198 94 HD3 PRO 12 2HD PRO 12 8.948 -10.910 5.244 95 H ILE 13 H ILE 13 8.851 -7.070 4.175 96 HA ILE 13 HA ILE 13 10.476 -5.082 2.727 97 HB ILE 13 HB ILE 13 8.274 -4.622 1.466 98 HG13 ILE 13 2HG1 ILE 13 6.877 -6.054 2.935 99 HG21 ILE 13 1HG2 ILE 13 9.012 -7.135 0.353 100 HG22 ILE 13 2HG2 ILE 13 9.451 -5.515 -0.187 101 HG23 ILE 13 3HG2 ILE 13 10.458 -6.355 0.993 102 HD11 ILE 13 3HD1 ILE 13 7.005 -6.805 0.035 103 HD12 ILE 13 1HD1 ILE 13 5.786 -7.453 1.132 104 HD13 ILE 13 2HD1 ILE 13 5.877 -5.716 0.840 105 H THR 14 H THR 14 9.747 -5.093 5.539 106 HA THR 14 HA THR 14 8.321 -2.531 5.595 107 HB THR 14 HB THR 14 6.738 -4.392 6.205 108 HG1 THR 14 1HG THR 14 7.389 -2.213 7.844 109 HG21 THR 14 3HG2 THR 14 7.261 -5.920 7.744 110 HG22 THR 14 1HG2 THR 14 7.685 -4.673 8.915 111 HG23 THR 14 2HG2 THR 14 8.893 -5.252 7.767 112 H LYS 15 H LYS 15 11.106 -3.963 6.134 113 HA LYS 15 HA LYS 15 12.923 -3.596 7.454 114 HB3 LYS 15 2HB LYS 15 11.647 -1.072 8.453 115 HG3 LYS 15 2HG LYS 15 14.010 -1.717 9.060 116 HD3 LYS 15 2HD LYS 15 14.481 -2.555 6.683 117 HE3 LYS 15 2HE LYS 15 13.687 -0.212 5.798 118 HZ1 LYS 15 3HZ LYS 15 15.057 1.446 6.275 119 HZ2 LYS 15 1HZ LYS 15 16.245 0.699 5.330 120 HZ3 LYS 15 2HZ LYS 15 16.183 0.409 6.995 121 H LYS 16 H LYS 16 10.625 -5.018 8.578 122 HA LYS 16 HA LYS 16 9.854 -5.844 10.559 123 HB3 LYS 16 2HB LYS 16 11.641 -5.857 12.411 124 HG3 LYS 16 2HG LYS 16 12.804 -6.963 9.901 125 HD3 LYS 16 2HD LYS 16 13.055 -8.951 11.395 126 HE3 LYS 16 2HE LYS 16 14.264 -6.613 12.806 127 HZ1 LYS 16 3HZ LYS 16 14.850 -8.993 13.280 128 HZ2 LYS 16 1HZ LYS 16 16.155 -7.989 12.892 129 HZ3 LYS 16 2HZ LYS 16 15.542 -9.062 11.738 130 H LYS 17 H LYS 17 8.869 -3.355 10.121 131 HA LYS 17 HA LYS 17 8.054 -2.526 12.663 132 HB3 LYS 17 2HB LYS 17 10.227 -0.847 11.409 133 HG3 LYS 17 2HG LYS 17 8.417 -0.102 13.700 134 HD3 LYS 17 2HD LYS 17 10.552 1.625 12.501 135 HE3 LYS 17 2HE LYS 17 8.703 2.488 14.020 136 HZ1 LYS 17 3HZ LYS 17 9.630 2.113 16.463 137 HZ2 LYS 17 1HZ LYS 17 10.031 0.607 15.804 138 HZ3 LYS 17 2HZ LYS 17 8.425 1.136 15.790 139 H GLU 18 H GLU 18 6.386 -1.021 12.575 140 HA GLU 18 HA GLU 18 5.537 -0.300 9.850 141 HB3 GLU 18 2HB GLU 18 3.904 -0.737 12.356 142 HG3 GLU 18 2HG GLU 18 2.829 -0.242 9.596 143 H GLU 19 H GLU 19 4.860 1.772 9.386 144 HA GLU 19 HA GLU 19 4.839 3.780 11.489 145 HB3 GLU 19 2HB GLU 19 7.152 3.861 10.942 146 HG3 GLU 19 2HG GLU 19 6.344 3.970 8.045 147 H THR 20 H THR 20 4.129 5.918 10.660 148 HA THR 20 HA THR 20 2.134 5.530 8.546 149 HB THR 20 HB THR 20 1.284 7.800 9.458 150 HG1 THR 20 1HG THR 20 2.520 7.015 11.857 151 HG21 THR 20 3HG2 THR 20 0.000 6.685 11.204 152 HG22 THR 20 1HG2 THR 20 1.142 5.342 11.210 153 HG23 THR 20 2HG2 THR 20 0.143 5.643 9.788 154 H PHE 21 H PHE 21 1.691 7.410 7.118 155 HA PHE 21 HA PHE 21 4.106 8.990 6.552 156 HB3 PHE 21 2HB PHE 21 2.447 8.026 4.266 157 HD1 PHE 21 1HD PHE 21 6.005 7.521 5.165 158 HD2 PHE 21 2HD PHE 21 3.209 9.617 2.735 159 HE1 PHE 21 1HE PHE 21 7.858 8.454 3.844 160 HE2 PHE 21 2HE PHE 21 5.058 10.552 1.408 161 HZ PHE 21 HZ PHE 21 7.386 9.970 1.961 162 H ASN 22 H ASN 22 3.771 11.059 5.808 163 HA ASN 22 HA ASN 22 0.968 11.943 5.607 164 HB3 ASN 22 2HB ASN 22 3.137 13.697 6.733 165 HD21 ASN 22 1HD2 ASN 22 2.311 15.446 7.897 166 HD22 ASN 22 2HD2 ASN 22 0.681 15.981 7.697 167 H GLY 23 H GLY 23 0.700 14.003 4.417 168 HA2 GLY 23 2HA GLY 23 1.936 15.622 2.947 169 HA3 GLY 23 3HA GLY 23 2.703 14.201 2.253 170 H ILE 24 H ILE 24 0.901 12.480 1.606 171 HA ILE 24 HA ILE 24 -1.060 13.953 -0.027 172 HB ILE 24 HB ILE 24 0.753 12.746 -1.282 173 HG13 ILE 24 2HG1 ILE 24 -1.938 13.014 -1.833 174 HG21 ILE 24 1HG2 ILE 24 -0.460 10.138 -1.088 175 HG22 ILE 24 2HG2 ILE 24 1.227 10.609 -0.898 176 HG23 ILE 24 3HG2 ILE 24 0.131 10.679 0.481 177 HD11 ILE 24 3HD1 ILE 24 -0.712 13.684 -3.601 178 HD12 ILE 24 1HD1 ILE 24 0.447 12.365 -3.440 179 HD13 ILE 24 2HD1 ILE 24 -1.123 12.073 -4.190 180 H SER 25 H SER 25 -3.132 13.056 -0.313 181 HA SER 25 HA SER 25 -3.872 11.045 1.712 182 HB3 SER 25 2HB SER 25 -4.949 12.949 2.486 183 HG SER 25 HG SER 25 -5.914 13.794 0.009 184 H LYS 26 H LYS 26 -3.078 9.989 -0.581 185 HA LYS 26 HA LYS 26 -5.556 8.959 -1.716 186 HB3 LYS 26 2HB LYS 26 -3.480 9.498 -3.743 187 HG3 LYS 26 2HG LYS 26 -5.994 8.676 -3.958 188 HD3 LYS 26 2HD LYS 26 -6.824 10.836 -2.962 189 HE3 LYS 26 2HE LYS 26 -5.588 11.864 -5.490 190 HZ1 LYS 26 3HZ LYS 26 -7.056 13.923 -4.540 191 HZ2 LYS 26 1HZ LYS 26 -8.133 12.629 -4.386 192 HZ3 LYS 26 2HZ LYS 26 -7.457 12.990 -5.894 193 H ILE 27 H ILE 27 -5.163 7.007 -3.066 194 HA ILE 27 HA ILE 27 -3.197 5.329 -1.768 195 HB ILE 27 HB ILE 27 -5.342 4.748 -3.802 196 HG13 ILE 27 2HG1 ILE 27 -6.364 3.495 -1.973 197 HG21 ILE 27 1HG2 ILE 27 -3.940 3.089 -4.444 198 HG22 ILE 27 2HG2 ILE 27 -3.047 3.107 -2.924 199 HG23 ILE 27 3HG2 ILE 27 -4.611 2.299 -3.017 200 HD11 ILE 27 3HD1 ILE 27 -3.785 3.663 -0.775 201 HD12 ILE 27 1HD1 ILE 27 -4.970 4.426 0.285 202 HD13 ILE 27 2HD1 ILE 27 -5.204 2.759 -0.244 203 H SER 28 H SER 28 -3.617 6.939 -4.820 204 HA SER 28 HA SER 28 -1.878 5.455 -6.425 205 HB3 SER 28 2HB SER 28 -1.939 8.420 -6.745 206 HG SER 28 HG SER 28 -2.759 7.243 -8.882 207 H GLU 29 H GLU 29 -1.192 8.408 -4.545 208 HA GLU 29 HA GLU 29 1.625 8.240 -5.022 209 HB3 GLU 29 2HB GLU 29 0.100 9.884 -2.994 210 HG3 GLU 29 2HG GLU 29 2.641 9.616 -2.710 211 H LEU 30 H LEU 30 -0.534 7.357 -2.382 212 HA LEU 30 HA LEU 30 1.319 6.821 -0.390 213 HB3 LEU 30 2HB LEU 30 -1.366 5.682 -1.057 214 HG LEU 30 HG LEU 30 -0.416 3.796 0.060 215 HD11 LEU 30 1HD1 LEU 30 0.935 5.870 1.660 216 HD12 LEU 30 2HD1 LEU 30 1.499 4.280 1.147 217 HD13 LEU 30 3HD1 LEU 30 0.418 4.426 2.533 218 HD21 LEU 30 3HD2 LEU 30 -2.568 4.070 0.857 219 HD22 LEU 30 1HD2 LEU 30 -2.176 5.567 1.704 220 HD23 LEU 30 2HD2 LEU 30 -1.625 4.019 2.348 221 H LEU 31 H LEU 31 0.005 4.566 -2.815 222 HA LEU 31 HA LEU 31 1.739 2.434 -2.045 223 HB3 LEU 31 2HB LEU 31 0.976 1.540 -4.358 224 HG LEU 31 HG LEU 31 -1.184 2.078 -2.320 225 HD11 LEU 31 1HD1 LEU 31 -2.374 1.284 -4.092 226 HD12 LEU 31 2HD1 LEU 31 -1.868 -0.245 -3.375 227 HD13 LEU 31 3HD1 LEU 31 -1.002 0.404 -4.766 228 HD21 LEU 31 3HD2 LEU 31 -0.460 -0.465 -1.896 229 HD22 LEU 31 1HD2 LEU 31 0.238 0.896 -1.017 230 HD23 LEU 31 2HD2 LEU 31 1.097 0.200 -2.392 231 H GLU 32 H GLU 32 1.695 4.716 -4.769 232 HA GLU 32 HA GLU 32 3.887 3.778 -6.175 233 HB3 GLU 32 2HB GLU 32 3.065 6.662 -5.792 234 HG3 GLU 32 2HG GLU 32 4.280 5.571 -8.286 235 H ARG 33 H ARG 33 3.777 5.833 -3.321 236 HA ARG 33 HA ARG 33 6.546 6.489 -3.320 237 HB3 ARG 33 2HB ARG 33 4.573 6.490 -1.029 238 HG3 ARG 33 2HG ARG 33 7.162 6.731 -0.624 239 HD3 ARG 33 2HD ARG 33 6.388 9.571 -1.240 240 HE ARG 33 HE ARG 33 8.536 8.571 0.178 241 HH11 ARG 33 1HH1 ARG 33 8.038 10.557 -2.637 242 HH12 ARG 33 2HH1 ARG 33 9.500 11.461 -2.420 243 HH21 ARG 33 1HH2 ARG 33 10.463 9.755 0.476 244 HH22 ARG 33 2HH2 ARG 33 10.879 11.003 -0.650 245 H LEU 34 H LEU 34 4.623 4.150 -1.446 246 HA LEU 34 HA LEU 34 6.782 3.041 -0.029 247 HB3 LEU 34 2HB LEU 34 5.083 0.982 -0.077 248 HG LEU 34 HG LEU 34 3.710 2.014 1.728 249 HD11 LEU 34 1HD1 LEU 34 6.586 1.619 1.680 250 HD12 LEU 34 2HD1 LEU 34 5.392 1.106 2.872 251 HD13 LEU 34 3HD1 LEU 34 6.074 2.731 2.951 252 HD21 LEU 34 3HD2 LEU 34 4.218 4.376 0.550 253 HD22 LEU 34 1HD2 LEU 34 5.464 4.384 1.798 254 HD23 LEU 34 2HD2 LEU 34 3.768 4.210 2.248 255 H LYS 35 H LYS 35 5.516 2.437 -3.222 256 HA LYS 35 HA LYS 35 6.533 -0.061 -3.800 257 HB3 LYS 35 2HB LYS 35 6.185 2.391 -5.511 258 HG3 LYS 35 2HG LYS 35 7.308 -0.256 -6.290 259 HD3 LYS 35 2HD LYS 35 5.865 1.492 -8.259 260 HE3 LYS 35 2HE LYS 35 6.274 -1.442 -8.526 261 HZ1 LYS 35 3HZ LYS 35 6.245 -0.986 -10.775 262 HZ2 LYS 35 1HZ LYS 35 6.720 0.626 -10.577 263 HZ3 LYS 35 2HZ LYS 35 5.147 0.153 -10.175 264 H VAL 36 H VAL 36 8.178 3.075 -4.143 265 HA VAL 36 HA VAL 36 10.663 1.873 -4.923 266 HB VAL 36 HB VAL 36 10.148 4.694 -3.972 267 HG11 VAL 36 1HG1 VAL 36 12.489 3.325 -5.234 268 HG12 VAL 36 2HG1 VAL 36 12.214 5.047 -5.502 269 HG13 VAL 36 3HG1 VAL 36 12.446 4.435 -3.865 270 HG21 VAL 36 3HG2 VAL 36 9.111 5.068 -5.899 271 HG22 VAL 36 1HG2 VAL 36 10.554 4.549 -6.772 272 HG23 VAL 36 2HG2 VAL 36 9.308 3.374 -6.349 273 H GLU 37 H GLU 37 9.273 3.098 -1.934 274 HA GLU 37 HA GLU 37 11.497 3.273 -0.318 275 HB3 GLU 37 2HB GLU 37 9.875 2.505 1.539 276 HG3 GLU 37 2HG GLU 37 8.879 4.775 -0.158 277 H TYR 38 H TYR 38 9.490 0.388 -0.895 278 HA TYR 38 HA TYR 38 11.473 -1.274 0.450 279 HB3 TYR 38 2HB TYR 38 9.832 -3.073 0.227 280 HD1 TYR 38 2HD TYR 38 10.621 -1.087 2.328 281 HD2 TYR 38 1HD TYR 38 6.855 -1.896 0.519 282 HE1 TYR 38 2HE TYR 38 9.481 -0.266 4.346 283 HE2 TYR 38 1HE TYR 38 5.705 -1.076 2.533 284 HH TYR 38 HH TYR 38 7.222 0.707 4.916 285 H GLY 39 H GLY 39 10.084 -0.755 -2.751 286 HA2 GLY 39 2HA GLY 39 11.757 -1.015 -4.585 287 HA3 GLY 39 3HA GLY 39 12.150 -2.561 -3.848 288 H SER 40 H SER 40 11.676 -3.161 -6.181 289 HA SER 40 HA SER 40 8.997 -3.151 -7.113 290 HB3 SER 40 2HB SER 40 9.817 -4.778 -8.801 291 HG SER 40 HG SER 40 10.379 -2.880 -9.559 292 H GLU 41 H GLU 41 10.881 -5.370 -5.171 293 HA GLU 41 HA GLU 41 9.389 -7.686 -5.353 294 HB3 GLU 41 2HB GLU 41 10.270 -8.292 -3.188 295 HG3 GLU 41 2HG GLU 41 12.451 -6.524 -4.174 296 H PHE 42 H PHE 42 8.805 -4.828 -3.357 297 HA PHE 42 HA PHE 42 6.631 -5.861 -1.894 298 HB3 PHE 42 2HB PHE 42 7.533 -3.071 -2.564 299 HD1 PHE 42 1HD PHE 42 4.887 -4.927 -0.727 300 HD2 PHE 42 2HD PHE 42 6.279 -1.168 -2.159 301 HE1 PHE 42 1HE PHE 42 2.767 -3.884 -0.042 302 HE2 PHE 42 2HE PHE 42 4.161 -0.120 -1.475 303 HZ PHE 42 HZ PHE 42 2.401 -1.478 -0.415 304 H THR 43 H THR 43 6.684 -3.764 -4.773 305 HA THR 43 HA THR 43 3.936 -3.597 -5.176 306 HB THR 43 HB THR 43 5.574 -3.772 -7.631 307 HG1 THR 43 1HG THR 43 7.158 -2.843 -6.421 308 HG21 THR 43 3HG2 THR 43 4.312 -1.935 -8.297 309 HG22 THR 43 1HG2 THR 43 4.022 -1.406 -6.641 310 HG23 THR 43 2HG2 THR 43 3.186 -2.825 -7.273 311 H LYS 44 H LYS 44 6.248 -6.025 -6.302 312 HA LYS 44 HA LYS 44 4.316 -7.479 -7.832 313 HB3 LYS 44 2HB LYS 44 6.093 -9.220 -7.948 314 HG3 LYS 44 2HG LYS 44 7.243 -6.480 -8.425 315 HD3 LYS 44 2HD LYS 44 8.338 -7.675 -10.333 316 HE3 LYS 44 2HE LYS 44 8.975 -8.732 -7.578 317 HZ1 LYS 44 3HZ LYS 44 11.017 -9.359 -8.366 318 HZ2 LYS 44 1HZ LYS 44 10.963 -8.323 -9.701 319 HZ3 LYS 44 2HZ LYS 44 10.050 -9.746 -9.699 320 H GLN 45 H GLN 45 5.365 -7.481 -4.528 321 HA GLN 45 HA GLN 45 4.255 -10.073 -3.922 322 HB3 GLN 45 2HB GLN 45 5.147 -7.909 -2.012 323 HG3 GLN 45 2HG GLN 45 3.839 -10.160 -1.346 324 HE21 GLN 45 1HE2 GLN 45 7.331 -10.100 -0.754 325 HE22 GLN 45 2HE2 GLN 45 7.578 -11.791 -1.005 326 H MET 46 H MET 46 3.163 -6.800 -3.995 327 HA MET 46 HA MET 46 0.683 -7.576 -2.609 328 HB3 MET 46 2HB MET 46 1.948 -5.705 -1.578 329 HG3 MET 46 2HG MET 46 1.986 -4.711 -4.281 330 HE1 MET 46 3HE MET 46 0.534 -2.891 -5.518 331 HE2 MET 46 1HE MET 46 0.747 -1.258 -4.886 332 HE3 MET 46 2HE MET 46 2.149 -2.304 -5.116 333 H TYR 47 H TYR 47 1.827 -7.449 -5.599 334 HA TYR 47 HA TYR 47 -0.681 -7.371 -6.855 335 HB3 TYR 47 2HB TYR 47 0.837 -5.003 -7.807 336 HD1 TYR 47 2HD TYR 47 -2.489 -6.104 -6.484 337 HD2 TYR 47 1HD TYR 47 -0.347 -4.055 -9.536 338 HE1 TYR 47 2HE TYR 47 -4.602 -5.666 -7.665 339 HE2 TYR 47 1HE TYR 47 -2.453 -3.611 -10.726 340 HH TYR 47 HH TYR 47 -5.574 -4.607 -9.365 341 H ASP 48 H ASP 48 -0.197 -9.005 -8.178 342 HA ASP 48 HA ASP 48 2.311 -8.897 -9.706 343 HB3 ASP 48 2HB ASP 48 0.449 -11.215 -9.145 344 H GLY 49 H GLY 49 1.659 -7.474 -11.332 345 HA2 GLY 49 2HA GLY 49 1.028 -7.267 -13.576 346 HA3 GLY 49 3HA GLY 49 0.056 -8.722 -13.415 347 H ASN 50 H ASN 50 -2.068 -8.575 -12.689 348 HA ASN 50 HA ASN 50 -3.135 -5.835 -12.489 349 HB3 ASN 50 2HB ASN 50 -4.583 -8.191 -13.708 350 HD21 ASN 50 1HD2 ASN 50 -4.288 -4.673 -14.070 351 HD22 ASN 50 2HD2 ASN 50 -5.986 -4.355 -13.997 352 H ASN 51 H ASN 51 -2.654 -8.692 -10.892 353 HA ASN 51 HA ASN 51 -4.517 -7.948 -8.807 354 HB3 ASN 51 2HB ASN 51 -5.488 -10.256 -8.682 355 HD21 ASN 51 1HD2 ASN 51 -7.041 -8.497 -8.638 356 HD22 ASN 51 2HD2 ASN 51 -7.990 -8.181 -10.046 357 H LEU 52 H LEU 52 -4.220 -9.309 -6.844 358 HA LEU 52 HA LEU 52 -1.608 -9.406 -6.007 359 HB3 LEU 52 2HB LEU 52 -2.362 -10.796 -4.160 360 HG LEU 52 HG LEU 52 -3.745 -9.337 -3.129 361 HD11 LEU 52 1HD1 LEU 52 -3.429 -7.159 -3.903 362 HD12 LEU 52 2HD1 LEU 52 -3.464 -7.654 -5.595 363 HD13 LEU 52 3HD1 LEU 52 -2.074 -8.056 -4.587 364 HD21 LEU 52 3HD2 LEU 52 -5.444 -8.527 -5.390 365 HD22 LEU 52 1HD2 LEU 52 -5.875 -8.934 -3.729 366 HD23 LEU 52 2HD2 LEU 52 -5.584 -10.217 -4.904 367 H PHE 53 H PHE 53 -0.268 -11.275 -5.393 368 HA PHE 53 HA PHE 53 0.054 -13.045 -7.632 369 HB3 PHE 53 2HB PHE 53 1.543 -12.760 -5.020 370 HD1 PHE 53 1HD PHE 53 2.224 -14.110 -8.432 371 HD2 PHE 53 2HD PHE 53 2.462 -14.704 -4.223 372 HE1 PHE 53 1HE PHE 53 3.431 -16.221 -8.801 373 HE2 PHE 53 2HE PHE 53 3.671 -16.815 -4.586 374 HZ PHE 53 HZ PHE 53 4.157 -17.577 -6.877 375 H LYS 54 H LYS 54 -0.185 -13.729 -4.139 376 HA LYS 54 HA LYS 54 -1.153 -16.403 -4.719 377 HB3 LYS 54 2HB LYS 54 -0.619 -15.034 -2.075 378 HG3 LYS 54 2HG LYS 54 -1.208 -17.905 -2.738 379 HD3 LYS 54 2HD LYS 54 -0.790 -17.937 -0.086 380 HE3 LYS 54 2HE LYS 54 0.243 -19.279 -2.085 381 HZ1 LYS 54 3HZ LYS 54 2.831 -18.429 -1.462 382 HZ2 LYS 54 1HZ LYS 54 1.963 -17.071 -1.976 383 HZ3 LYS 54 2HZ LYS 54 2.069 -18.433 -2.971 384 H ASN 55 H ASN 55 -2.279 -13.655 -2.739 385 HA ASN 55 HA ASN 55 -4.817 -13.390 -3.619 386 HB3 ASN 55 2HB ASN 55 -5.765 -14.922 -1.499 387 HD21 ASN 55 1HD2 ASN 55 -6.902 -13.652 -3.541 388 HD22 ASN 55 2HD2 ASN 55 -7.603 -14.767 -4.659 389 H VAL 56 H VAL 56 -2.960 -11.791 -2.406 390 HA VAL 56 HA VAL 56 -3.406 -11.345 0.352 391 HB VAL 56 HB VAL 56 -2.516 -9.244 -1.616 392 HG11 VAL 56 1HG1 VAL 56 -1.335 -8.308 0.249 393 HG12 VAL 56 2HG1 VAL 56 -3.011 -8.576 0.731 394 HG13 VAL 56 3HG1 VAL 56 -1.750 -9.688 1.265 395 HG21 VAL 56 3HG2 VAL 56 -0.985 -10.831 -2.195 396 HG22 VAL 56 1HG2 VAL 56 -0.186 -10.187 -0.760 397 HG23 VAL 56 2HG2 VAL 56 -1.118 -11.681 -0.655 398 H ILE 57 H ILE 57 -4.784 -10.006 1.428 399 HA ILE 57 HA ILE 57 -6.778 -8.556 -0.184 400 HB ILE 57 HB ILE 57 -7.318 -10.064 2.376 401 HG13 ILE 57 2HG1 ILE 57 -6.984 -11.251 0.018 402 HG21 ILE 57 1HG2 ILE 57 -9.093 -8.748 2.587 403 HG22 ILE 57 2HG2 ILE 57 -8.713 -7.928 1.074 404 HG23 ILE 57 3HG2 ILE 57 -9.703 -9.387 1.062 405 HD11 ILE 57 3HD1 ILE 57 -8.033 -12.103 2.315 406 HD12 ILE 57 1HD1 ILE 57 -9.478 -12.156 1.305 407 HD13 ILE 57 2HD1 ILE 57 -8.041 -13.065 0.837 408 H ILE 58 H ILE 58 -6.337 -6.466 0.109 409 HA ILE 58 HA ILE 58 -5.878 -5.524 2.865 410 HB ILE 58 HB ILE 58 -3.839 -5.072 1.861 411 HG13 ILE 58 2HG1 ILE 58 -5.010 -3.025 2.800 412 HG21 ILE 58 1HG2 ILE 58 -3.616 -4.155 -0.443 413 HG22 ILE 58 2HG2 ILE 58 -4.331 -5.766 -0.379 414 HG23 ILE 58 3HG2 ILE 58 -5.357 -4.355 -0.641 415 HD11 ILE 58 3HD1 ILE 58 -3.470 -1.369 1.539 416 HD12 ILE 58 1HD1 ILE 58 -2.760 -2.622 2.556 417 HD13 ILE 58 2HD1 ILE 58 -2.805 -2.827 0.805 418 H LEU 59 H LEU 59 -7.148 -3.920 3.603 419 HA LEU 59 HA LEU 59 -8.982 -2.640 1.685 420 HB3 LEU 59 2HB LEU 59 -10.493 -2.461 3.780 421 HG LEU 59 HG LEU 59 -10.119 -4.928 2.151 422 HD11 LEU 59 1HD1 LEU 59 -11.467 -4.779 4.779 423 HD12 LEU 59 2HD1 LEU 59 -10.722 -6.151 3.958 424 HD13 LEU 59 3HD1 LEU 59 -12.330 -5.605 3.481 425 HD21 LEU 59 3HD2 LEU 59 -12.359 -2.964 2.606 426 HD22 LEU 59 1HD2 LEU 59 -12.495 -4.407 1.602 427 HD23 LEU 59 2HD2 LEU 59 -11.356 -3.134 1.164 428 H VAL 60 H VAL 60 -9.527 -0.471 2.043 429 HA VAL 60 HA VAL 60 -7.724 0.946 3.897 430 HB VAL 60 HB VAL 60 -7.197 1.437 1.566 431 HG11 VAL 60 1HG1 VAL 60 -9.300 0.990 0.504 432 HG12 VAL 60 2HG1 VAL 60 -10.079 2.302 1.390 433 HG13 VAL 60 3HG1 VAL 60 -8.855 2.664 0.173 434 HG21 VAL 60 3HG2 VAL 60 -6.685 3.508 2.195 435 HG22 VAL 60 1HG2 VAL 60 -8.372 4.006 2.072 436 HG23 VAL 60 2HG2 VAL 60 -7.765 3.313 3.575 437 H ASN 61 H ASN 61 -8.571 2.354 5.329 438 HA ASN 61 HA ASN 61 -10.204 3.146 6.737 439 HB3 ASN 61 2HB ASN 61 -9.964 4.954 5.093 440 HD21 ASN 61 1HD2 ASN 61 -13.241 4.404 4.284 441 HD22 ASN 61 2HD2 ASN 61 -13.022 4.207 2.582 442 H GLY 62 H GLY 62 -10.720 0.476 5.994 443 HA2 GLY 62 2HA GLY 62 -12.399 -1.088 6.061 444 HA3 GLY 62 3HA GLY 62 -13.365 0.164 6.827 445 H ASN 63 H ASN 63 -12.043 -0.284 3.545 446 HA ASN 63 HA ASN 63 -14.468 -0.852 2.286 447 HB3 ASN 63 2HB ASN 63 -14.194 1.739 1.221 448 HD21 ASN 63 1HD2 ASN 63 -16.116 2.900 3.145 449 HD22 ASN 63 2HD2 ASN 63 -17.604 2.071 2.858 450 H ASN 64 H ASN 64 -13.819 -1.860 0.512 451 HA ASN 64 HA ASN 64 -11.219 -1.773 -0.501 452 HB3 ASN 64 2HB ASN 64 -12.755 -3.657 -0.878 453 HD21 ASN 64 1HD2 ASN 64 -13.640 -3.546 -3.807 454 HD22 ASN 64 2HD2 ASN 64 -15.275 -2.998 -3.709 455 H ILE 65 H ILE 65 -10.262 -0.726 -2.204 456 HA ILE 65 HA ILE 65 -11.370 1.811 -2.938 457 HB ILE 65 HB ILE 65 -9.327 2.101 -4.275 458 HG13 ILE 65 2HG1 ILE 65 -9.039 -0.187 -5.066 459 HG21 ILE 65 1HG2 ILE 65 -8.268 0.947 -1.770 460 HG22 ILE 65 2HG2 ILE 65 -8.048 2.552 -2.464 461 HG23 ILE 65 3HG2 ILE 65 -9.538 2.160 -1.609 462 HD11 ILE 65 3HD1 ILE 65 -6.882 0.187 -5.326 463 HD12 ILE 65 1HD1 ILE 65 -6.912 1.346 -3.998 464 HD13 ILE 65 2HD1 ILE 65 -6.586 -0.357 -3.675 465 H THR 66 H THR 66 -10.997 -1.315 -4.482 466 HA THR 66 HA THR 66 -11.468 -0.619 -7.136 467 HB THR 66 HB THR 66 -12.390 -2.954 -7.379 468 HG1 THR 66 1HG THR 66 -11.623 -3.312 -4.675 469 HG21 THR 66 3HG2 THR 66 -10.034 -3.711 -6.021 470 HG22 THR 66 1HG2 THR 66 -9.753 -2.095 -6.668 471 HG23 THR 66 2HG2 THR 66 -10.240 -3.404 -7.745 472 H SER 67 H SER 67 -13.648 -0.816 -4.443 473 HA SER 67 HA SER 67 -16.097 -1.198 -5.644 474 HB3 SER 67 2HB SER 67 -15.230 0.410 -3.261 475 HG SER 67 HG SER 67 -17.937 0.058 -3.538 476 H MET 68 H MET 68 -14.289 1.836 -5.304 477 HA MET 68 HA MET 68 -16.079 3.024 -7.322 478 HB3 MET 68 2HB MET 68 -16.539 4.516 -5.699 479 HG3 MET 68 2HG MET 68 -13.950 3.852 -4.317 480 HE1 MET 68 3HE MET 68 -13.412 6.280 -4.328 481 HE2 MET 68 1HE MET 68 -13.924 7.351 -3.024 482 HE3 MET 68 2HE MET 68 -13.051 5.865 -2.652 483 H LYS 69 H LYS 69 -12.984 4.081 -5.944 484 HA LYS 69 HA LYS 69 -11.845 4.003 -8.661 485 HB3 LYS 69 2HB LYS 69 -10.349 5.915 -7.625 486 HG3 LYS 69 2HG LYS 69 -12.057 7.638 -8.292 487 HD3 LYS 69 2HD LYS 69 -10.550 5.920 -9.834 488 HE3 LYS 69 2HE LYS 69 -13.405 5.581 -10.454 489 HZ1 LYS 69 3HZ LYS 69 -12.878 5.357 -12.860 490 HZ2 LYS 69 1HZ LYS 69 -11.421 6.170 -12.579 491 HZ3 LYS 69 2HZ LYS 69 -12.894 6.954 -12.304 492 H GLY 70 H GLY 70 -9.955 2.962 -8.920 493 HA2 GLY 70 2HA GLY 70 -8.946 1.265 -6.931 494 HA3 GLY 70 3HA GLY 70 -8.117 1.682 -8.424 495 H LEU 71 H LEU 71 -6.451 3.118 -8.385 496 HA LEU 71 HA LEU 71 -5.291 3.691 -5.827 497 HB3 LEU 71 2HB LEU 71 -3.591 4.924 -7.295 498 HG LEU 71 HG LEU 71 -4.050 1.998 -7.328 499 HD11 LEU 71 1HD1 LEU 71 -3.303 3.053 -9.695 500 HD12 LEU 71 2HD1 LEU 71 -2.781 1.473 -9.111 501 HD13 LEU 71 3HD1 LEU 71 -1.731 2.877 -8.913 502 HD21 LEU 71 3HD2 LEU 71 -1.379 3.147 -6.935 503 HD22 LEU 71 1HD2 LEU 71 -2.271 1.980 -5.959 504 HD23 LEU 71 2HD2 LEU 71 -2.601 3.704 -5.790 505 H ASP 72 H ASP 72 -7.455 5.306 -7.886 506 HA ASP 72 HA ASP 72 -6.745 7.990 -7.167 507 HB3 ASP 72 2HB ASP 72 -9.329 8.166 -8.035 508 H THR 73 H THR 73 -8.091 5.529 -5.436 509 HA THR 73 HA THR 73 -10.234 6.714 -4.075 510 HB THR 73 HB THR 73 -8.499 4.382 -3.656 511 HG1 THR 73 1HG THR 73 -11.257 4.985 -3.273 512 HG21 THR 73 3HG2 THR 73 -8.053 5.343 -1.520 513 HG22 THR 73 1HG2 THR 73 -9.291 4.111 -1.281 514 HG23 THR 73 2HG2 THR 73 -9.739 5.816 -1.311 515 H GLU 74 H GLU 74 -10.329 8.310 -2.638 516 HA GLU 74 HA GLU 74 -7.905 9.565 -1.713 517 HB3 GLU 74 2HB GLU 74 -9.938 10.838 -2.431 518 HG3 GLU 74 2HG GLU 74 -11.043 9.844 0.185 519 H ILE 75 H ILE 75 -7.397 9.979 0.503 520 HA ILE 75 HA ILE 75 -8.725 8.334 2.510 521 HB ILE 75 HB ILE 75 -6.419 7.564 3.319 522 HG13 ILE 75 2HG1 ILE 75 -5.078 9.003 1.859 523 HG21 ILE 75 1HG2 ILE 75 -7.577 6.432 0.776 524 HG22 ILE 75 2HG2 ILE 75 -6.474 5.587 1.861 525 HG23 ILE 75 3HG2 ILE 75 -8.082 6.043 2.420 526 HD11 ILE 75 3HD1 ILE 75 -4.483 6.358 0.683 527 HD12 ILE 75 1HD1 ILE 75 -3.405 7.548 1.412 528 HD13 ILE 75 2HD1 ILE 75 -4.396 6.509 2.438 529 H LYS 76 H LYS 76 -9.125 9.655 4.144 530 HA LYS 76 HA LYS 76 -7.680 12.105 4.513 531 HB3 LYS 76 2HB LYS 76 -9.227 12.556 6.291 532 HG3 LYS 76 2HG LYS 76 -10.717 10.988 4.195 533 HD3 LYS 76 2HD LYS 76 -12.078 11.555 6.158 534 HE3 LYS 76 2HE LYS 76 -11.143 14.353 5.549 535 HZ1 LYS 76 3HZ LYS 76 -13.275 14.857 6.045 536 HZ2 LYS 76 1HZ LYS 76 -12.726 14.663 7.634 537 HZ3 LYS 76 2HZ LYS 76 -13.564 13.409 6.869 538 H ASP 77 H ASP 77 -7.053 12.666 6.888 539 HA ASP 77 HA ASP 77 -4.830 11.064 7.566 540 HB3 ASP 77 2HB ASP 77 -4.874 13.455 8.044 541 H ASP 78 H ASP 78 -8.139 11.093 8.635 542 HA ASP 78 HA ASP 78 -7.671 9.499 10.982 543 HB3 ASP 78 2HB ASP 78 -10.057 9.487 11.248 544 H ASP 79 H ASP 79 -8.303 8.915 7.630 545 HA ASP 79 HA ASP 79 -9.337 6.299 7.807 546 HB3 ASP 79 2HB ASP 79 -8.316 6.135 5.423 547 H LYS 80 H LYS 80 -8.345 4.287 7.619 548 HA LYS 80 HA LYS 80 -5.424 4.209 7.875 549 HB3 LYS 80 2HB LYS 80 -6.133 4.037 10.140 550 HG3 LYS 80 2HG LYS 80 -8.175 2.070 9.153 551 HD3 LYS 80 2HD LYS 80 -7.686 2.660 12.049 552 HE3 LYS 80 2HE LYS 80 -8.796 0.473 12.314 553 HZ1 LYS 80 3HZ LYS 80 -10.587 1.751 12.450 554 HZ2 LYS 80 1HZ LYS 80 -10.886 1.435 10.815 555 HZ3 LYS 80 2HZ LYS 80 -10.018 2.815 11.266 556 H ILE 81 H ILE 81 -4.451 2.535 6.840 557 HA ILE 81 HA ILE 81 -6.215 0.742 5.323 558 HB ILE 81 HB ILE 81 -3.288 1.264 4.817 559 HG13 ILE 81 2HG1 ILE 81 -5.698 2.822 4.106 560 HG21 ILE 81 1HG2 ILE 81 -3.572 -0.527 3.508 561 HG22 ILE 81 2HG2 ILE 81 -5.330 -0.444 3.623 562 HG23 ILE 81 3HG2 ILE 81 -4.474 0.559 2.450 563 HD11 ILE 81 3HD1 ILE 81 -3.804 4.516 3.612 564 HD12 ILE 81 1HD1 ILE 81 -4.194 4.102 5.280 565 HD13 ILE 81 2HD1 ILE 81 -2.796 3.369 4.494 566 H ASP 82 H ASP 82 -6.044 -1.445 5.450 567 HA ASP 82 HA ASP 82 -3.955 -2.563 7.189 568 HB3 ASP 82 2HB ASP 82 -5.546 -3.994 8.301 569 H LEU 83 H LEU 83 -2.996 -4.353 6.424 570 HA LEU 83 HA LEU 83 -4.113 -5.541 3.975 571 HB3 LEU 83 2HB LEU 83 -1.267 -5.790 4.895 572 HG LEU 83 HG LEU 83 -2.658 -6.587 2.482 573 HD11 LEU 83 1HD1 LEU 83 -1.942 -4.657 1.392 574 HD12 LEU 83 2HD1 LEU 83 -0.689 -5.839 1.020 575 HD13 LEU 83 3HD1 LEU 83 -0.408 -4.619 2.262 576 HD21 LEU 83 3HD2 LEU 83 -0.325 -7.661 2.164 577 HD22 LEU 83 1HD2 LEU 83 -1.344 -8.203 3.498 578 HD23 LEU 83 2HD2 LEU 83 -0.017 -7.081 3.801 579 H PHE 84 H PHE 84 -4.321 -7.744 3.779 580 HA PHE 84 HA PHE 84 -3.681 -9.353 6.158 581 HB3 PHE 84 2HB PHE 84 -5.963 -10.477 4.905 582 HD1 PHE 84 1HD PHE 84 -5.729 -7.771 7.455 583 HD2 PHE 84 2HD PHE 84 -6.415 -11.896 6.660 584 HE1 PHE 84 1HE PHE 84 -6.292 -8.129 9.823 585 HE2 PHE 84 2HE PHE 84 -6.981 -12.262 9.027 586 HZ PHE 84 HZ PHE 84 -6.920 -10.377 10.612 587 HA PRO 85 HA PRO 85 -1.704 -12.092 3.339 588 HB3 PRO 85 2HB PRO 85 -0.698 -13.024 5.182 589 HG3 PRO 85 2HG PRO 85 -1.830 -13.202 7.205 590 HD3 PRO 85 2HD PRO 85 -2.221 -10.982 6.726 591 HA PRO 86 HA PRO 86 -4.677 -14.390 1.054 592 HB3 PRO 86 2HB PRO 86 -3.012 -14.845 -0.464 593 HG3 PRO 86 2HG PRO 86 -0.838 -15.280 0.235 594 HD3 PRO 86 2HD PRO 86 -1.250 -13.338 1.406 595 H VAL 87 H VAL 87 -6.061 -16.169 1.118 596 HA VAL 87 HA VAL 87 -6.531 -17.368 3.579 597 HB VAL 87 HB VAL 87 -7.940 -19.020 2.275 598 HG11 VAL 87 1HG1 VAL 87 -8.387 -16.413 2.949 599 HG12 VAL 87 2HG1 VAL 87 -8.794 -16.423 1.231 600 HG13 VAL 87 3HG1 VAL 87 -9.610 -17.526 2.338 601 HG21 VAL 87 3HG2 VAL 87 -8.248 -18.678 -0.083 602 HG22 VAL 87 1HG2 VAL 87 -7.130 -17.315 -0.075 603 HG23 VAL 87 2HG2 VAL 87 -6.533 -18.947 0.226 604 H ALA 88 H ALA 88 -4.393 -18.311 1.019 605 HA ALA 88 HA ALA 88 -4.021 -20.995 2.061 606 HB1 ALA 88 1HB ALA 88 -2.071 -20.711 0.204 607 HB2 ALA 88 2HB ALA 88 -3.718 -21.230 -0.153 608 HB3 ALA 88 3HB ALA 88 -3.258 -19.543 -0.376 609 H GLY 89 H GLY 89 -2.397 -17.887 2.087 610 HA2 GLY 89 2HA GLY 89 -0.897 -17.206 3.773 611 HA3 GLY 89 3HA GLY 89 -0.607 -18.894 4.167 612 H GLY 90 H GLY 90 0.711 -16.185 2.781 613 HA2 GLY 90 2HA GLY 90 2.742 -17.828 1.410 614 HA3 GLY 90 3HA GLY 90 2.100 -16.379 0.649 Start of MODEL 13 1 H1 MET 1 H MET 1 -2.863 12.519 7.656 2 HA MET 1 HA MET 1 -0.493 10.962 7.158 3 HB3 MET 1 2HB MET 1 -2.340 11.218 9.526 4 HG3 MET 1 2HG MET 1 -0.041 9.359 9.128 5 HE1 MET 1 3HE MET 1 -2.387 10.540 11.729 6 HE2 MET 1 1HE MET 1 -1.728 9.476 12.973 7 HE3 MET 1 2HE MET 1 -1.398 11.207 13.030 8 H VAL 2 H VAL 2 -0.337 8.823 6.738 9 HA VAL 2 HA VAL 2 -2.856 7.300 6.550 10 HB VAL 2 HB VAL 2 -1.821 6.021 4.698 11 HG11 VAL 2 1HG1 VAL 2 -3.306 7.642 3.949 12 HG12 VAL 2 2HG1 VAL 2 -2.262 8.972 4.453 13 HG13 VAL 2 3HG1 VAL 2 -1.837 8.002 3.042 14 HG21 VAL 2 3HG2 VAL 2 0.487 7.599 5.468 15 HG22 VAL 2 1HG2 VAL 2 0.396 6.135 4.488 16 HG23 VAL 2 2HG2 VAL 2 0.152 7.714 3.740 17 H THR 3 H THR 3 -2.946 5.416 7.604 18 HA THR 3 HA THR 3 -0.474 4.433 8.862 19 HB THR 3 HB THR 3 -3.213 3.575 9.734 20 HG1 THR 3 1HG THR 3 -3.198 5.885 9.722 21 HG21 THR 3 3HG2 THR 3 -1.663 3.897 11.949 22 HG22 THR 3 1HG2 THR 3 -0.457 3.448 10.745 23 HG23 THR 3 2HG2 THR 3 -1.829 2.386 11.056 24 H VAL 4 H VAL 4 0.400 2.742 7.874 25 HA VAL 4 HA VAL 4 -1.389 0.764 6.617 26 HB VAL 4 HB VAL 4 0.554 0.144 5.190 27 HG11 VAL 4 1HG1 VAL 4 -0.459 2.977 5.065 28 HG12 VAL 4 2HG1 VAL 4 0.470 2.215 3.773 29 HG13 VAL 4 3HG1 VAL 4 -1.103 1.563 4.233 30 HG21 VAL 4 3HG2 VAL 4 1.805 2.614 6.390 31 HG22 VAL 4 1HG2 VAL 4 2.339 0.952 6.640 32 HG23 VAL 4 2HG2 VAL 4 2.454 1.683 5.039 33 H ARG 5 H ARG 5 -1.171 -1.361 7.126 34 HA ARG 5 HA ARG 5 0.802 -2.014 9.213 35 HB3 ARG 5 2HB ARG 5 -0.866 -3.943 9.666 36 HG3 ARG 5 2HG ARG 5 -1.144 -1.103 10.422 37 HD3 ARG 5 2HD ARG 5 -3.485 -1.950 9.937 38 HE ARG 5 HE ARG 5 -3.905 -4.011 10.822 39 HH11 ARG 5 1HH1 ARG 5 -2.144 -2.124 13.158 40 HH12 ARG 5 2HH1 ARG 5 -2.290 -3.307 14.417 41 HH21 ARG 5 1HH2 ARG 5 -4.104 -5.575 12.471 42 HH22 ARG 5 2HH2 ARG 5 -3.404 -5.270 14.024 43 H TYR 6 H TYR 6 1.868 -4.024 9.132 44 HA TYR 6 HA TYR 6 1.618 -5.553 6.645 45 HB3 TYR 6 2HB TYR 6 4.029 -5.574 6.305 46 HD1 TYR 6 2HD TYR 6 2.137 -4.400 4.665 47 HD2 TYR 6 1HD TYR 6 4.824 -2.401 7.289 48 HE1 TYR 6 2HE TYR 6 1.961 -2.371 3.288 49 HE2 TYR 6 1HE TYR 6 4.656 -0.365 5.920 50 HH TYR 6 HH TYR 6 2.276 0.082 3.578 51 H TYR 7 H TYR 7 1.675 -7.687 6.964 52 HA TYR 7 HA TYR 7 2.105 -8.676 9.656 53 HB3 TYR 7 2HB TYR 7 1.532 -10.903 8.260 54 HD1 TYR 7 2HD TYR 7 -0.298 -7.717 8.934 55 HD2 TYR 7 1HD TYR 7 -0.197 -11.946 9.387 56 HE1 TYR 7 2HE TYR 7 -2.313 -7.609 10.341 57 HE2 TYR 7 1HE TYR 7 -2.212 -11.849 10.794 58 HH TYR 7 HH TYR 7 -3.257 -9.697 12.365 59 H ALA 8 H ALA 8 3.131 -11.067 9.559 60 HA ALA 8 HA ALA 8 5.878 -10.727 9.286 61 HB1 ALA 8 1HB ALA 8 4.073 -13.016 9.746 62 HB2 ALA 8 2HB ALA 8 5.690 -13.402 9.154 63 HB3 ALA 8 3HB ALA 8 5.493 -12.486 10.649 64 H THR 9 H THR 9 3.500 -11.518 6.922 65 HA THR 9 HA THR 9 5.157 -12.832 5.040 66 HB THR 9 HB THR 9 3.404 -12.253 3.382 67 HG1 THR 9 1HG THR 9 1.885 -10.810 3.844 68 HG21 THR 9 3HG2 THR 9 1.931 -13.810 4.174 69 HG22 THR 9 1HG2 THR 9 1.880 -13.103 5.788 70 HG23 THR 9 2HG2 THR 9 3.259 -14.087 5.300 71 H LEU 10 H LEU 10 4.639 -9.488 5.832 72 HA LEU 10 HA LEU 10 6.250 -8.669 3.510 73 HB3 LEU 10 2HB LEU 10 5.418 -6.340 4.245 74 HG LEU 10 HG LEU 10 4.514 -7.552 2.228 75 HD11 LEU 10 1HD1 LEU 10 3.445 -9.426 3.227 76 HD12 LEU 10 2HD1 LEU 10 2.185 -8.427 2.502 77 HD13 LEU 10 3HD1 LEU 10 2.444 -8.390 4.246 78 HD21 LEU 10 3HD2 LEU 10 3.832 -5.212 3.236 79 HD22 LEU 10 1HD2 LEU 10 2.282 -6.023 3.464 80 HD23 LEU 10 2HD2 LEU 10 2.982 -5.897 1.850 81 H ARG 11 H ARG 11 6.918 -9.683 6.396 82 HA ARG 11 HA ARG 11 8.219 -7.630 7.778 83 HB3 ARG 11 2HB ARG 11 8.400 -10.601 7.745 84 HG3 ARG 11 2HG ARG 11 10.752 -9.990 7.919 85 HD3 ARG 11 2HD ARG 11 9.980 -8.438 10.381 86 HE ARG 11 HE ARG 11 12.512 -9.246 9.342 87 HH11 ARG 11 1HH1 ARG 11 10.852 -6.691 11.025 88 HH12 ARG 11 2HH1 ARG 11 12.279 -6.112 11.821 89 HH21 ARG 11 1HH2 ARG 11 14.396 -8.494 10.384 90 HH22 ARG 11 2HH2 ARG 11 14.293 -7.139 11.455 91 HA PRO 12 HA PRO 12 12.278 -8.935 5.497 92 HB3 PRO 12 2HB PRO 12 12.248 -11.178 5.000 93 HG3 PRO 12 2HG PRO 12 10.264 -12.258 4.447 94 HD3 PRO 12 2HD PRO 12 9.606 -11.185 6.378 95 H ILE 13 H ILE 13 9.351 -7.978 4.092 96 HA ILE 13 HA ILE 13 10.622 -6.857 1.708 97 HB ILE 13 HB ILE 13 7.711 -6.618 2.437 98 HG13 ILE 13 2HG1 ILE 13 8.302 -8.996 2.481 99 HG21 ILE 13 1HG2 ILE 13 8.836 -5.231 0.599 100 HG22 ILE 13 2HG2 ILE 13 8.923 -6.744 -0.302 101 HG23 ILE 13 3HG2 ILE 13 7.358 -6.099 0.188 102 HD11 ILE 13 3HD1 ILE 13 7.128 -9.009 -0.182 103 HD12 ILE 13 1HD1 ILE 13 6.516 -9.667 1.335 104 HD13 ILE 13 2HD1 ILE 13 6.288 -7.959 0.958 105 H THR 14 H THR 14 8.208 -5.606 4.015 106 HA THR 14 HA THR 14 8.941 -2.899 3.565 107 HB THR 14 HB THR 14 6.682 -3.648 4.354 108 HG1 THR 14 1HG THR 14 6.738 -1.889 6.128 109 HG21 THR 14 3HG2 THR 14 6.371 -4.713 6.296 110 HG22 THR 14 1HG2 THR 14 7.388 -3.570 7.172 111 HG23 THR 14 2HG2 THR 14 8.119 -4.941 6.338 112 H LYS 15 H LYS 15 10.356 -5.344 5.407 113 HA LYS 15 HA LYS 15 11.966 -5.403 7.017 114 HB3 LYS 15 2HB LYS 15 13.514 -3.302 6.941 115 HG3 LYS 15 2HG LYS 15 14.456 -3.974 4.721 116 HD3 LYS 15 2HD LYS 15 13.825 -6.116 6.748 117 HE3 LYS 15 2HE LYS 15 14.518 -6.975 4.467 118 HZ1 LYS 15 3HZ LYS 15 16.172 -5.116 4.131 119 HZ2 LYS 15 1HZ LYS 15 16.716 -6.674 3.761 120 HZ3 LYS 15 2HZ LYS 15 17.188 -5.935 5.207 121 H LYS 16 H LYS 16 9.380 -4.379 7.804 122 HA LYS 16 HA LYS 16 10.105 -3.314 10.356 123 HB3 LYS 16 2HB LYS 16 8.178 -1.478 9.113 124 HG3 LYS 16 2HG LYS 16 9.344 -1.260 11.384 125 HD3 LYS 16 2HD LYS 16 11.436 0.353 10.770 126 HE3 LYS 16 2HE LYS 16 12.176 -2.487 10.970 127 HZ1 LYS 16 3HZ LYS 16 12.695 -0.830 13.223 128 HZ2 LYS 16 1HZ LYS 16 13.189 -0.071 11.793 129 HZ3 LYS 16 2HZ LYS 16 13.788 -1.603 12.188 130 H LYS 17 H LYS 17 7.712 -2.319 11.221 131 HA LYS 17 HA LYS 17 5.915 -4.627 10.872 132 HB3 LYS 17 2HB LYS 17 6.383 -2.820 13.244 133 HG3 LYS 17 2HG LYS 17 4.147 -4.720 12.713 134 HD3 LYS 17 2HD LYS 17 5.188 -4.037 15.461 135 HE3 LYS 17 2HE LYS 17 3.505 -5.554 16.260 136 HZ1 LYS 17 3HZ LYS 17 2.814 -3.234 15.706 137 HZ2 LYS 17 1HZ LYS 17 1.549 -4.357 15.745 138 HZ3 LYS 17 2HZ LYS 17 2.163 -3.825 14.261 139 H GLU 18 H GLU 18 5.494 -1.323 12.135 140 HA GLU 18 HA GLU 18 3.610 -0.697 10.020 141 HB3 GLU 18 2HB GLU 18 2.797 -1.020 12.901 142 HG3 GLU 18 2HG GLU 18 1.401 0.570 10.769 143 H GLU 19 H GLU 19 3.334 1.488 9.700 144 HA GLU 19 HA GLU 19 4.288 3.406 11.635 145 HB3 GLU 19 2HB GLU 19 5.615 3.606 8.970 146 HG3 GLU 19 2HG GLU 19 6.130 4.570 11.729 147 H THR 20 H THR 20 3.980 5.655 10.872 148 HA THR 20 HA THR 20 1.832 5.813 8.857 149 HB THR 20 HB THR 20 1.034 7.833 10.199 150 HG1 THR 20 1HG THR 20 1.646 7.718 12.448 151 HG21 THR 20 3HG2 THR 20 0.013 6.259 12.007 152 HG22 THR 20 1HG2 THR 20 0.813 4.983 11.088 153 HG23 THR 20 2HG2 THR 20 -0.392 6.009 10.308 154 H PHE 21 H PHE 21 1.817 7.577 7.474 155 HA PHE 21 HA PHE 21 4.037 9.479 7.677 156 HB3 PHE 21 2HB PHE 21 4.541 9.214 5.279 157 HD1 PHE 21 2HD PHE 21 6.474 8.875 6.957 158 HD2 PHE 21 1HD PHE 21 3.999 5.726 5.515 159 HE1 PHE 21 2HE PHE 21 8.206 7.238 7.567 160 HE2 PHE 21 1HE PHE 21 5.726 4.085 6.124 161 HZ PHE 21 HZ PHE 21 7.834 4.839 7.153 162 H ASN 22 H ASN 22 3.625 11.505 6.847 163 HA ASN 22 HA ASN 22 0.867 11.957 5.908 164 HB3 ASN 22 2HB ASN 22 0.981 13.024 7.992 165 HD21 ASN 22 1HD2 ASN 22 3.075 15.489 7.078 166 HD22 ASN 22 2HD2 ASN 22 4.391 15.107 8.131 167 H GLY 23 H GLY 23 0.584 13.870 4.505 168 HA2 GLY 23 2HA GLY 23 2.136 15.520 3.230 169 HA3 GLY 23 3HA GLY 23 2.819 14.027 2.605 170 H ILE 24 H ILE 24 1.015 12.467 1.767 171 HA ILE 24 HA ILE 24 -0.763 14.074 0.052 172 HB ILE 24 HB ILE 24 1.059 12.792 -1.110 173 HG13 ILE 24 2HG1 ILE 24 -1.596 13.185 -1.809 174 HG21 ILE 24 1HG2 ILE 24 -0.318 10.250 -1.024 175 HG22 ILE 24 2HG2 ILE 24 1.387 10.618 -0.765 176 HG23 ILE 24 3HG2 ILE 24 0.246 10.739 0.574 177 HD11 ILE 24 3HD1 ILE 24 -0.669 12.350 -4.150 178 HD12 ILE 24 1HD1 ILE 24 -0.214 13.901 -3.447 179 HD13 ILE 24 2HD1 ILE 24 0.867 12.514 -3.298 180 H SER 25 H SER 25 -2.864 13.331 -0.357 181 HA SER 25 HA SER 25 -3.846 11.340 1.581 182 HB3 SER 25 2HB SER 25 -4.896 13.287 2.270 183 HG SER 25 HG SER 25 -5.865 14.504 0.177 184 H LYS 26 H LYS 26 -2.942 10.209 -0.618 185 HA LYS 26 HA LYS 26 -5.350 9.229 -1.899 186 HB3 LYS 26 2HB LYS 26 -4.234 9.468 -4.187 187 HG3 LYS 26 2HG LYS 26 -6.038 11.072 -3.016 188 HD3 LYS 26 2HD LYS 26 -3.870 12.501 -2.411 189 HE3 LYS 26 2HE LYS 26 -4.678 13.438 -5.163 190 HZ1 LYS 26 3HZ LYS 26 -2.534 14.690 -3.605 191 HZ2 LYS 26 1HZ LYS 26 -4.132 15.132 -3.266 192 HZ3 LYS 26 2HZ LYS 26 -3.507 15.348 -4.823 193 H ILE 27 H ILE 27 -5.006 7.241 -3.073 194 HA ILE 27 HA ILE 27 -3.014 5.595 -1.824 195 HB ILE 27 HB ILE 27 -5.173 5.063 -3.843 196 HG13 ILE 27 2HG1 ILE 27 -6.090 3.669 -2.088 197 HG21 ILE 27 1HG2 ILE 27 -3.439 3.663 -4.624 198 HG22 ILE 27 2HG2 ILE 27 -2.959 3.220 -2.987 199 HG23 ILE 27 3HG2 ILE 27 -4.487 2.637 -3.645 200 HD11 ILE 27 3HD1 ILE 27 -4.781 2.690 -0.601 201 HD12 ILE 27 1HD1 ILE 27 -3.427 3.740 -1.016 202 HD13 ILE 27 2HD1 ILE 27 -4.607 4.258 0.188 203 H SER 28 H SER 28 -3.407 7.174 -4.909 204 HA SER 28 HA SER 28 -1.634 5.753 -6.494 205 HB3 SER 28 2HB SER 28 -2.596 8.575 -6.448 206 HG SER 28 HG SER 28 -1.204 8.593 -8.539 207 H GLU 29 H GLU 29 -0.912 8.631 -4.514 208 HA GLU 29 HA GLU 29 1.911 8.384 -4.924 209 HB3 GLU 29 2HB GLU 29 0.367 10.049 -2.930 210 HG3 GLU 29 2HG GLU 29 2.914 9.647 -2.584 211 H LEU 30 H LEU 30 -0.326 7.618 -2.297 212 HA LEU 30 HA LEU 30 1.482 6.946 -0.309 213 HB3 LEU 30 2HB LEU 30 -1.160 5.629 -0.921 214 HG LEU 30 HG LEU 30 -1.278 5.495 1.647 215 HD11 LEU 30 1HD1 LEU 30 -0.630 3.266 1.582 216 HD12 LEU 30 2HD1 LEU 30 0.661 3.572 0.421 217 HD13 LEU 30 3HD1 LEU 30 -1.022 3.623 -0.100 218 HD21 LEU 30 3HD2 LEU 30 0.840 5.192 2.779 219 HD22 LEU 30 1HD2 LEU 30 0.772 6.797 2.053 220 HD23 LEU 30 2HD2 LEU 30 1.716 5.521 1.285 221 H LEU 31 H LEU 31 0.046 4.809 -2.770 222 HA LEU 31 HA LEU 31 1.590 2.543 -1.999 223 HB3 LEU 31 2HB LEU 31 0.852 1.798 -4.396 224 HG LEU 31 HG LEU 31 -1.275 2.312 -2.318 225 HD11 LEU 31 1HD1 LEU 31 -1.309 0.158 -4.396 226 HD12 LEU 31 2HD1 LEU 31 -1.937 1.767 -4.748 227 HD13 LEU 31 3HD1 LEU 31 -2.643 0.812 -3.444 228 HD21 LEU 31 3HD2 LEU 31 0.139 0.952 -1.161 229 HD22 LEU 31 1HD2 LEU 31 0.837 0.247 -2.620 230 HD23 LEU 31 2HD2 LEU 31 -0.753 -0.275 -2.063 231 H GLU 32 H GLU 32 1.814 4.845 -4.700 232 HA GLU 32 HA GLU 32 3.991 3.765 -6.023 233 HB3 GLU 32 2HB GLU 32 3.178 6.650 -5.668 234 HG3 GLU 32 2HG GLU 32 5.071 5.526 -7.720 235 H ARG 33 H ARG 33 3.902 5.784 -3.147 236 HA ARG 33 HA ARG 33 6.748 6.157 -3.049 237 HB3 ARG 33 2HB ARG 33 5.999 6.802 -0.564 238 HG3 ARG 33 2HG ARG 33 5.370 9.067 -1.364 239 HD3 ARG 33 2HD ARG 33 7.717 8.114 -2.961 240 HE ARG 33 HE ARG 33 7.997 10.374 -2.911 241 HH11 ARG 33 1HH1 ARG 33 6.806 9.335 0.191 242 HH12 ARG 33 2HH1 ARG 33 6.945 10.902 0.916 243 HH21 ARG 33 1HH2 ARG 33 8.185 12.443 -1.968 244 HH22 ARG 33 2HH2 ARG 33 7.729 12.669 -0.314 245 H LEU 34 H LEU 34 4.443 3.887 -1.738 246 HA LEU 34 HA LEU 34 6.220 2.743 0.188 247 HB3 LEU 34 2HB LEU 34 4.475 0.835 0.046 248 HG LEU 34 HG LEU 34 3.494 3.564 0.879 249 HD11 LEU 34 1HD1 LEU 34 1.895 2.392 2.238 250 HD12 LEU 34 2HD1 LEU 34 2.537 0.833 1.719 251 HD13 LEU 34 3HD1 LEU 34 1.712 1.877 0.561 252 HD21 LEU 34 3HD2 LEU 34 5.581 1.993 1.916 253 HD22 LEU 34 1HD2 LEU 34 4.221 1.812 3.023 254 HD23 LEU 34 2HD2 LEU 34 4.837 3.420 2.638 255 H LYS 35 H LYS 35 5.255 1.950 -3.114 256 HA LYS 35 HA LYS 35 6.602 -0.530 -3.268 257 HB3 LYS 35 2HB LYS 35 4.856 0.059 -4.852 258 HG3 LYS 35 2HG LYS 35 6.764 2.148 -5.881 259 HD3 LYS 35 2HD LYS 35 4.831 2.647 -7.430 260 HE3 LYS 35 2HE LYS 35 6.350 0.058 -7.672 261 HZ1 LYS 35 3HZ LYS 35 5.006 -0.400 -9.372 262 HZ2 LYS 35 1HZ LYS 35 5.756 0.882 -10.184 263 HZ3 LYS 35 2HZ LYS 35 4.297 1.137 -9.366 264 H VAL 36 H VAL 36 7.584 2.787 -3.932 265 HA VAL 36 HA VAL 36 10.128 2.056 -5.040 266 HB VAL 36 HB VAL 36 9.060 4.165 -5.669 267 HG11 VAL 36 1HG1 VAL 36 8.908 6.025 -4.109 268 HG12 VAL 36 2HG1 VAL 36 7.978 4.648 -3.518 269 HG13 VAL 36 3HG1 VAL 36 9.554 5.014 -2.816 270 HG21 VAL 36 3HG2 VAL 36 11.631 4.626 -4.157 271 HG22 VAL 36 1HG2 VAL 36 11.511 3.944 -5.779 272 HG23 VAL 36 2HG2 VAL 36 11.002 5.607 -5.482 273 H GLU 37 H GLU 37 8.921 2.997 -1.875 274 HA GLU 37 HA GLU 37 11.451 3.370 -0.652 275 HB3 GLU 37 2HB GLU 37 8.727 2.760 0.496 276 HG3 GLU 37 2HG GLU 37 11.334 3.111 1.861 277 H TYR 38 H TYR 38 9.171 0.637 -0.614 278 HA TYR 38 HA TYR 38 11.022 -1.054 0.795 279 HB3 TYR 38 2HB TYR 38 9.325 -2.775 0.578 280 HD1 TYR 38 2HD TYR 38 9.958 -0.565 2.529 281 HD2 TYR 38 1HD TYR 38 6.379 -1.539 0.444 282 HE1 TYR 38 2HE TYR 38 8.636 0.485 4.319 283 HE2 TYR 38 1HE TYR 38 5.049 -0.491 2.227 284 HH TYR 38 HH TYR 38 6.610 1.016 5.041 285 H GLY 39 H GLY 39 9.938 -0.651 -2.536 286 HA2 GLY 39 2HA GLY 39 11.766 -1.096 -4.189 287 HA3 GLY 39 3HA GLY 39 11.977 -2.629 -3.355 288 H SER 40 H SER 40 11.630 -2.859 -5.952 289 HA SER 40 HA SER 40 8.971 -2.914 -6.890 290 HB3 SER 40 2HB SER 40 11.158 -4.720 -7.914 291 HG SER 40 HG SER 40 9.422 -4.991 -9.151 292 H GLU 41 H GLU 41 10.921 -5.224 -5.134 293 HA GLU 41 HA GLU 41 9.466 -7.556 -5.563 294 HB3 GLU 41 2HB GLU 41 10.494 -7.092 -2.821 295 HG3 GLU 41 2HG GLU 41 9.912 -9.343 -3.554 296 H PHE 42 H PHE 42 8.771 -4.797 -3.550 297 HA PHE 42 HA PHE 42 6.735 -6.048 -1.989 298 HB3 PHE 42 2HB PHE 42 7.431 -3.157 -2.505 299 HD1 PHE 42 1HD PHE 42 6.045 -4.638 0.548 300 HD2 PHE 42 2HD PHE 42 5.272 -2.172 -2.834 301 HE1 PHE 42 1HE PHE 42 3.964 -3.853 1.601 302 HE2 PHE 42 2HE PHE 42 3.191 -1.382 -1.786 303 HZ PHE 42 HZ PHE 42 2.535 -2.221 0.435 304 H THR 43 H THR 43 6.625 -3.726 -4.688 305 HA THR 43 HA THR 43 3.849 -3.657 -4.981 306 HB THR 43 HB THR 43 5.035 -3.412 -7.565 307 HG1 THR 43 1HG THR 43 7.038 -3.197 -6.512 308 HG21 THR 43 3HG2 THR 43 3.262 -2.003 -7.180 309 HG22 THR 43 1HG2 THR 43 4.605 -0.896 -6.902 310 HG23 THR 43 2HG2 THR 43 3.772 -1.634 -5.534 311 H LYS 44 H LYS 44 6.253 -5.853 -6.336 312 HA LYS 44 HA LYS 44 4.398 -7.220 -8.034 313 HB3 LYS 44 2HB LYS 44 6.225 -8.838 -8.356 314 HG3 LYS 44 2HG LYS 44 8.105 -7.131 -8.904 315 HD3 LYS 44 2HD LYS 44 5.369 -7.202 -10.150 316 HE3 LYS 44 2HE LYS 44 7.834 -5.957 -11.357 317 HZ1 LYS 44 3HZ LYS 44 5.889 -6.984 -12.721 318 HZ2 LYS 44 1HZ LYS 44 6.542 -5.489 -13.168 319 HZ3 LYS 44 2HZ LYS 44 5.087 -5.553 -12.309 320 H GLN 45 H GLN 45 5.398 -7.503 -4.728 321 HA GLN 45 HA GLN 45 4.418 -10.186 -4.380 322 HB3 GLN 45 2HB GLN 45 5.192 -8.099 -2.335 323 HG3 GLN 45 2HG GLN 45 3.762 -10.255 -1.714 324 HE21 GLN 45 1HE2 GLN 45 4.025 -12.222 -2.645 325 HE22 GLN 45 2HE2 GLN 45 5.376 -13.256 -2.348 326 H MET 46 H MET 46 3.270 -6.922 -3.656 327 HA MET 46 HA MET 46 0.742 -8.013 -2.667 328 HB3 MET 46 2HB MET 46 0.304 -5.895 -1.729 329 HG3 MET 46 2HG MET 46 2.226 -5.272 -0.450 330 HE1 MET 46 3HE MET 46 -0.094 -6.995 0.002 331 HE2 MET 46 1HE MET 46 0.316 -8.283 1.135 332 HE3 MET 46 2HE MET 46 0.811 -6.623 1.470 333 H TYR 47 H TYR 47 1.949 -7.430 -5.579 334 HA TYR 47 HA TYR 47 -0.611 -7.136 -6.807 335 HB3 TYR 47 2HB TYR 47 1.190 -4.939 -7.669 336 HD1 TYR 47 2HD TYR 47 -2.242 -5.657 -6.358 337 HD2 TYR 47 1HD TYR 47 0.131 -3.784 -9.352 338 HE1 TYR 47 2HE TYR 47 -4.287 -4.907 -7.501 339 HE2 TYR 47 1HE TYR 47 -1.907 -3.026 -10.502 340 HH TYR 47 HH TYR 47 -5.118 -3.619 -9.131 341 H ASP 48 H ASP 48 -0.209 -8.901 -8.037 342 HA ASP 48 HA ASP 48 2.210 -8.913 -9.704 343 HB3 ASP 48 2HB ASP 48 0.306 -11.127 -8.924 344 H GLY 49 H GLY 49 1.528 -7.491 -11.317 345 HA2 GLY 49 2HA GLY 49 0.787 -7.296 -13.530 346 HA3 GLY 49 3HA GLY 49 -0.233 -8.705 -13.289 347 H ASN 50 H ASN 50 -2.321 -8.457 -12.542 348 HA ASN 50 HA ASN 50 -3.247 -5.679 -12.215 349 HB3 ASN 50 2HB ASN 50 -5.444 -6.677 -13.248 350 HD21 ASN 50 1HD2 ASN 50 -5.978 -5.600 -15.054 351 HD22 ASN 50 2HD2 ASN 50 -4.855 -4.756 -16.060 352 H ASN 51 H ASN 51 -2.852 -8.578 -10.733 353 HA ASN 51 HA ASN 51 -4.737 -7.892 -8.647 354 HB3 ASN 51 2HB ASN 51 -5.477 -10.425 -8.691 355 HD21 ASN 51 1HD2 ASN 51 -6.425 -9.327 -11.761 356 HD22 ASN 51 2HD2 ASN 51 -7.911 -8.579 -11.296 357 H LEU 52 H LEU 52 -4.468 -9.310 -6.723 358 HA LEU 52 HA LEU 52 -1.856 -9.457 -5.876 359 HB3 LEU 52 2HB LEU 52 -2.642 -10.857 -4.055 360 HG LEU 52 HG LEU 52 -4.006 -9.394 -3.008 361 HD11 LEU 52 1HD1 LEU 52 -3.664 -7.208 -3.754 362 HD12 LEU 52 2HD1 LEU 52 -3.690 -7.684 -5.452 363 HD13 LEU 52 3HD1 LEU 52 -2.314 -8.113 -4.437 364 HD21 LEU 52 3HD2 LEU 52 -5.737 -8.361 -5.055 365 HD22 LEU 52 1HD2 LEU 52 -6.146 -9.222 -3.571 366 HD23 LEU 52 2HD2 LEU 52 -5.786 -10.124 -5.044 367 H PHE 53 H PHE 53 -0.493 -11.298 -5.369 368 HA PHE 53 HA PHE 53 -0.274 -13.083 -7.609 369 HB3 PHE 53 2HB PHE 53 1.341 -12.797 -5.072 370 HD1 PHE 53 1HD PHE 53 1.271 -14.453 -8.409 371 HD2 PHE 53 2HD PHE 53 2.911 -14.374 -4.482 372 HE1 PHE 53 1HE PHE 53 2.480 -16.545 -8.875 373 HE2 PHE 53 2HE PHE 53 4.122 -16.466 -4.942 374 HZ PHE 53 HZ PHE 53 3.909 -17.553 -7.141 375 H LYS 54 H LYS 54 -0.345 -13.732 -4.101 376 HA LYS 54 HA LYS 54 -1.320 -16.419 -4.604 377 HB3 LYS 54 2HB LYS 54 -0.661 -14.999 -2.016 378 HG3 LYS 54 2HG LYS 54 -2.236 -16.930 -1.759 379 HD3 LYS 54 2HD LYS 54 -0.356 -19.025 -1.963 380 HE3 LYS 54 2HE LYS 54 -2.518 -18.659 -3.980 381 HZ1 LYS 54 3HZ LYS 54 -2.967 -20.961 -3.359 382 HZ2 LYS 54 1HZ LYS 54 -1.732 -20.906 -2.203 383 HZ3 LYS 54 2HZ LYS 54 -1.359 -20.762 -3.847 384 H ASN 55 H ASN 55 -2.383 -13.651 -2.618 385 HA ASN 55 HA ASN 55 -4.959 -13.419 -3.394 386 HB3 ASN 55 2HB ASN 55 -5.805 -14.925 -1.214 387 HD21 ASN 55 1HD2 ASN 55 -7.074 -13.716 -3.187 388 HD22 ASN 55 2HD2 ASN 55 -7.794 -14.849 -4.274 389 H VAL 56 H VAL 56 -3.107 -11.758 -2.311 390 HA VAL 56 HA VAL 56 -3.395 -11.278 0.461 391 HB VAL 56 HB VAL 56 -2.710 -9.160 -1.565 392 HG11 VAL 56 1HG1 VAL 56 -2.993 -8.917 1.081 393 HG12 VAL 56 2HG1 VAL 56 -1.312 -9.448 1.026 394 HG13 VAL 56 3HG1 VAL 56 -1.807 -7.995 0.159 395 HG21 VAL 56 3HG2 VAL 56 -1.264 -10.823 -2.270 396 HG22 VAL 56 1HG2 VAL 56 -0.301 -9.989 -1.050 397 HG23 VAL 56 2HG2 VAL 56 -1.101 -11.511 -0.655 398 H ILE 57 H ILE 57 -4.750 -9.969 1.601 399 HA ILE 57 HA ILE 57 -6.903 -8.637 0.092 400 HB ILE 57 HB ILE 57 -7.164 -10.075 2.735 401 HG13 ILE 57 2HG1 ILE 57 -7.052 -11.292 0.368 402 HG21 ILE 57 1HG2 ILE 57 -8.576 -8.121 2.702 403 HG22 ILE 57 2HG2 ILE 57 -9.194 -8.554 1.109 404 HG23 ILE 57 3HG2 ILE 57 -9.573 -9.563 2.504 405 HD11 ILE 57 3HD1 ILE 57 -7.966 -13.116 1.322 406 HD12 ILE 57 1HD1 ILE 57 -7.828 -12.130 2.778 407 HD13 ILE 57 2HD1 ILE 57 -9.370 -12.235 1.926 408 H ILE 58 H ILE 58 -6.521 -6.522 0.257 409 HA ILE 58 HA ILE 58 -5.912 -5.434 2.928 410 HB ILE 58 HB ILE 58 -3.958 -4.849 1.931 411 HG13 ILE 58 2HG1 ILE 58 -5.393 -2.764 2.355 412 HG21 ILE 58 1HG2 ILE 58 -5.474 -5.074 -0.634 413 HG22 ILE 58 2HG2 ILE 58 -3.914 -4.253 -0.597 414 HG23 ILE 58 3HG2 ILE 58 -4.033 -5.941 -0.104 415 HD11 ILE 58 3HD1 ILE 58 -3.818 -1.311 0.837 416 HD12 ILE 58 1HD1 ILE 58 -3.203 -2.155 2.259 417 HD13 ILE 58 2HD1 ILE 58 -2.965 -2.844 0.652 418 H LEU 59 H LEU 59 -7.153 -3.788 3.642 419 HA LEU 59 HA LEU 59 -9.189 -2.737 1.790 420 HB3 LEU 59 2HB LEU 59 -10.538 -2.343 3.886 421 HG LEU 59 HG LEU 59 -9.899 -5.208 3.199 422 HD11 LEU 59 1HD1 LEU 59 -11.271 -5.947 4.789 423 HD12 LEU 59 2HD1 LEU 59 -12.467 -4.695 4.454 424 HD13 LEU 59 3HD1 LEU 59 -11.108 -4.350 5.523 425 HD21 LEU 59 3HD2 LEU 59 -12.347 -3.594 2.531 426 HD22 LEU 59 1HD2 LEU 59 -11.836 -5.142 1.856 427 HD23 LEU 59 2HD2 LEU 59 -10.938 -3.675 1.471 428 H VAL 60 H VAL 60 -9.997 -0.551 2.336 429 HA VAL 60 HA VAL 60 -7.984 1.118 3.680 430 HB VAL 60 HB VAL 60 -7.478 1.391 1.361 431 HG11 VAL 60 1HG1 VAL 60 -9.749 2.499 0.173 432 HG12 VAL 60 2HG1 VAL 60 -9.037 0.918 -0.153 433 HG13 VAL 60 3HG1 VAL 60 -10.325 1.077 1.043 434 HG21 VAL 60 3HG2 VAL 60 -7.649 3.717 1.147 435 HG22 VAL 60 1HG2 VAL 60 -9.202 3.769 1.981 436 HG23 VAL 60 2HG2 VAL 60 -7.726 3.435 2.886 437 H ASN 61 H ASN 61 -8.953 2.133 5.298 438 HA ASN 61 HA ASN 61 -10.501 3.219 6.561 439 HB3 ASN 61 2HB ASN 61 -11.662 4.082 3.904 440 HD21 ASN 61 1HD2 ASN 61 -11.004 4.954 7.275 441 HD22 ASN 61 2HD2 ASN 61 -12.406 5.946 7.471 442 H GLY 62 H GLY 62 -11.018 0.495 5.973 443 HA2 GLY 62 2HA GLY 62 -12.700 -1.022 6.378 444 HA3 GLY 62 3HA GLY 62 -13.744 0.336 6.771 445 H ASN 63 H ASN 63 -12.093 -0.629 3.767 446 HA ASN 63 HA ASN 63 -14.339 -1.594 2.424 447 HB3 ASN 63 2HB ASN 63 -13.931 0.970 1.111 448 HD21 ASN 63 1HD2 ASN 63 -16.331 -0.454 3.305 449 HD22 ASN 63 2HD2 ASN 63 -17.590 -0.565 2.128 450 H ASN 64 H ASN 64 -13.917 -0.836 -0.167 451 HA ASN 64 HA ASN 64 -11.067 -1.418 -0.629 452 HB3 ASN 64 2HB ASN 64 -12.134 -3.482 -1.068 453 HD21 ASN 64 1HD2 ASN 64 -13.559 -2.732 -3.958 454 HD22 ASN 64 2HD2 ASN 64 -15.218 -2.870 -3.494 455 H ILE 65 H ILE 65 -10.073 -0.137 -2.060 456 HA ILE 65 HA ILE 65 -11.238 2.199 -3.032 457 HB ILE 65 HB ILE 65 -9.248 2.496 -4.391 458 HG13 ILE 65 2HG1 ILE 65 -9.060 0.226 -5.290 459 HG21 ILE 65 1HG2 ILE 65 -9.284 2.558 -1.771 460 HG22 ILE 65 2HG2 ILE 65 -8.191 1.184 -1.933 461 HG23 ILE 65 3HG2 ILE 65 -7.767 2.737 -2.652 462 HD11 ILE 65 3HD1 ILE 65 -6.513 -0.058 -4.174 463 HD12 ILE 65 1HD1 ILE 65 -6.943 0.692 -5.712 464 HD13 ILE 65 2HD1 ILE 65 -6.823 1.677 -4.253 465 H THR 66 H THR 66 -10.992 -0.985 -4.459 466 HA THR 66 HA THR 66 -11.570 -0.334 -7.125 467 HB THR 66 HB THR 66 -12.344 -2.679 -7.352 468 HG1 THR 66 1HG THR 66 -12.088 -3.976 -5.372 469 HG21 THR 66 3HG2 THR 66 -9.853 -1.864 -7.135 470 HG22 THR 66 1HG2 THR 66 -10.232 -3.585 -7.192 471 HG23 THR 66 2HG2 THR 66 -9.899 -2.807 -5.645 472 H SER 67 H SER 67 -13.600 -0.571 -4.317 473 HA SER 67 HA SER 67 -16.094 -1.034 -5.392 474 HB3 SER 67 2HB SER 67 -15.287 0.788 -3.117 475 HG SER 67 HG SER 67 -17.300 1.330 -2.971 476 H MET 68 H MET 68 -14.359 2.051 -5.149 477 HA MET 68 HA MET 68 -16.289 3.185 -7.066 478 HB3 MET 68 2HB MET 68 -16.700 4.669 -5.425 479 HG3 MET 68 2HG MET 68 -14.031 4.053 -4.180 480 HE1 MET 68 3HE MET 68 -14.447 4.271 -1.271 481 HE2 MET 68 1HE MET 68 -15.495 5.532 -0.621 482 HE3 MET 68 2HE MET 68 -16.201 4.104 -1.379 483 H LYS 69 H LYS 69 -13.141 4.301 -5.855 484 HA LYS 69 HA LYS 69 -12.164 4.284 -8.637 485 HB3 LYS 69 2HB LYS 69 -10.625 6.188 -7.588 486 HG3 LYS 69 2HG LYS 69 -13.330 6.372 -8.796 487 HD3 LYS 69 2HD LYS 69 -11.827 8.662 -7.544 488 HE3 LYS 69 2HE LYS 69 -12.352 9.261 -9.851 489 HZ1 LYS 69 3HZ LYS 69 -14.115 8.007 -10.566 490 HZ2 LYS 69 1HZ LYS 69 -14.894 9.474 -10.248 491 HZ3 LYS 69 2HZ LYS 69 -14.998 8.202 -9.137 492 H GLY 70 H GLY 70 -10.495 2.980 -8.975 493 HA2 GLY 70 2HA GLY 70 -9.261 1.447 -6.997 494 HA3 GLY 70 3HA GLY 70 -8.625 1.698 -8.617 495 H LEU 71 H LEU 71 -7.011 3.199 -8.960 496 HA LEU 71 HA LEU 71 -5.416 3.841 -6.666 497 HB3 LEU 71 2HB LEU 71 -4.928 4.942 -9.406 498 HG LEU 71 HG LEU 71 -3.330 5.138 -7.268 499 HD11 LEU 71 1HD1 LEU 71 -3.232 2.614 -7.153 500 HD12 LEU 71 2HD1 LEU 71 -1.681 3.455 -7.178 501 HD13 LEU 71 3HD1 LEU 71 -2.285 2.676 -8.640 502 HD21 LEU 71 3HD2 LEU 71 -2.912 6.224 -9.372 503 HD22 LEU 71 1HD2 LEU 71 -2.493 4.688 -10.129 504 HD23 LEU 71 2HD2 LEU 71 -1.453 5.365 -8.876 505 H ASP 72 H ASP 72 -7.937 5.393 -8.317 506 HA ASP 72 HA ASP 72 -7.097 8.093 -7.711 507 HB3 ASP 72 2HB ASP 72 -9.677 8.400 -8.389 508 H THR 73 H THR 73 -8.025 5.716 -5.773 509 HA THR 73 HA THR 73 -10.175 6.708 -4.271 510 HB THR 73 HB THR 73 -8.137 4.634 -3.926 511 HG1 THR 73 1HG THR 73 -10.891 4.994 -3.363 512 HG21 THR 73 3HG2 THR 73 -8.541 4.442 -1.464 513 HG22 THR 73 1HG2 THR 73 -9.254 6.053 -1.509 514 HG23 THR 73 2HG2 THR 73 -7.556 5.830 -1.927 515 H GLU 74 H GLU 74 -10.313 8.013 -2.483 516 HA GLU 74 HA GLU 74 -7.929 9.637 -1.914 517 HB3 GLU 74 2HB GLU 74 -10.874 10.221 -1.781 518 HG3 GLU 74 2HG GLU 74 -8.794 11.372 -0.090 519 H ILE 75 H ILE 75 -7.048 9.642 0.060 520 HA ILE 75 HA ILE 75 -8.553 8.378 2.255 521 HB ILE 75 HB ILE 75 -6.214 7.698 3.108 522 HG13 ILE 75 2HG1 ILE 75 -4.941 9.004 1.453 523 HG21 ILE 75 1HG2 ILE 75 -7.500 6.349 0.740 524 HG22 ILE 75 2HG2 ILE 75 -6.298 5.600 1.790 525 HG23 ILE 75 3HG2 ILE 75 -7.864 6.078 2.444 526 HD11 ILE 75 3HD1 ILE 75 -3.289 7.553 1.630 527 HD12 ILE 75 1HD1 ILE 75 -4.444 6.298 2.077 528 HD13 ILE 75 2HD1 ILE 75 -4.021 6.544 0.381 529 H LYS 76 H LYS 76 -8.629 9.469 4.127 530 HA LYS 76 HA LYS 76 -7.053 11.946 4.316 531 HB3 LYS 76 2HB LYS 76 -9.322 12.540 4.363 532 HG3 LYS 76 2HG LYS 76 -9.836 10.349 6.366 533 HD3 LYS 76 2HD LYS 76 -12.257 11.070 5.550 534 HE3 LYS 76 2HE LYS 76 -10.533 12.121 7.738 535 HZ1 LYS 76 3HZ LYS 76 -13.169 12.929 8.203 536 HZ2 LYS 76 1HZ LYS 76 -12.687 13.590 6.721 537 HZ3 LYS 76 2HZ LYS 76 -11.781 13.891 8.116 538 H ASP 77 H ASP 77 -6.776 12.629 6.726 539 HA ASP 77 HA ASP 77 -4.956 10.928 7.930 540 HB3 ASP 77 2HB ASP 77 -5.240 13.377 8.400 541 H ASP 78 H ASP 78 -8.422 11.005 8.193 542 HA ASP 78 HA ASP 78 -8.556 9.347 10.535 543 HB3 ASP 78 2HB ASP 78 -10.845 9.630 8.626 544 H ASP 79 H ASP 79 -8.562 8.853 7.075 545 HA ASP 79 HA ASP 79 -9.521 6.208 7.027 546 HB3 ASP 79 2HB ASP 79 -8.158 6.121 4.833 547 H LYS 80 H LYS 80 -8.413 4.226 6.852 548 HA LYS 80 HA LYS 80 -5.581 4.208 7.578 549 HB3 LYS 80 2HB LYS 80 -6.836 4.047 9.695 550 HG3 LYS 80 2HG LYS 80 -7.790 1.321 9.026 551 HD3 LYS 80 2HD LYS 80 -9.637 2.137 10.578 552 HE3 LYS 80 2HE LYS 80 -8.113 2.057 12.609 553 HZ1 LYS 80 3HZ LYS 80 -8.909 0.077 10.947 554 HZ2 LYS 80 1HZ LYS 80 -8.187 -0.151 12.460 555 HZ3 LYS 80 2HZ LYS 80 -7.243 -0.199 11.057 556 H ILE 81 H ILE 81 -4.441 2.594 6.640 557 HA ILE 81 HA ILE 81 -5.951 0.736 4.935 558 HB ILE 81 HB ILE 81 -3.026 1.462 4.752 559 HG13 ILE 81 2HG1 ILE 81 -5.479 2.702 3.612 560 HG21 ILE 81 1HG2 ILE 81 -3.905 0.562 2.294 561 HG22 ILE 81 2HG2 ILE 81 -2.951 -0.352 3.459 562 HG23 ILE 81 3HG2 ILE 81 -4.707 -0.509 3.443 563 HD11 ILE 81 3HD1 ILE 81 -3.776 4.642 3.457 564 HD12 ILE 81 1HD1 ILE 81 -4.421 4.172 5.030 565 HD13 ILE 81 2HD1 ILE 81 -2.809 3.645 4.544 566 H ASP 82 H ASP 82 -5.666 -1.445 5.054 567 HA ASP 82 HA ASP 82 -3.846 -2.440 7.148 568 HB3 ASP 82 2HB ASP 82 -6.543 -2.511 7.365 569 H LEU 83 H LEU 83 -3.187 -4.710 6.862 570 HA LEU 83 HA LEU 83 -3.291 -5.651 4.090 571 HB3 LEU 83 2HB LEU 83 -0.710 -5.711 5.608 572 HG LEU 83 HG LEU 83 0.332 -5.604 3.372 573 HD11 LEU 83 1HD1 LEU 83 0.319 -7.838 3.220 574 HD12 LEU 83 2HD1 LEU 83 -1.434 -7.918 3.054 575 HD13 LEU 83 3HD1 LEU 83 -0.707 -7.766 4.653 576 HD21 LEU 83 3HD2 LEU 83 -0.810 -5.350 1.453 577 HD22 LEU 83 1HD2 LEU 83 -2.056 -4.670 2.498 578 HD23 LEU 83 2HD2 LEU 83 -2.153 -6.358 1.995 579 H PHE 84 H PHE 84 -3.872 -7.712 4.030 580 HA PHE 84 HA PHE 84 -3.160 -9.444 6.303 581 HB3 PHE 84 2HB PHE 84 -5.554 -10.355 4.989 582 HD1 PHE 84 1HD PHE 84 -5.190 -8.119 7.932 583 HD2 PHE 84 2HD PHE 84 -5.813 -12.084 6.514 584 HE1 PHE 84 1HE PHE 84 -5.638 -8.867 10.232 585 HE2 PHE 84 2HE PHE 84 -6.263 -12.838 8.812 586 HZ PHE 84 HZ PHE 84 -6.175 -11.230 10.676 587 HA PRO 85 HA PRO 85 -1.332 -12.052 3.258 588 HB3 PRO 85 2HB PRO 85 -0.138 -12.974 4.992 589 HG3 PRO 85 2HG PRO 85 -1.076 -13.196 7.108 590 HD3 PRO 85 2HD PRO 85 -1.561 -10.982 6.690 591 HA PRO 86 HA PRO 86 -4.465 -14.379 1.231 592 HB3 PRO 86 2HB PRO 86 -2.960 -14.725 -0.470 593 HG3 PRO 86 2HG PRO 86 -0.708 -15.093 -0.022 594 HD3 PRO 86 2HD PRO 86 -1.062 -13.202 1.248 595 H VAL 87 H VAL 87 -5.765 -16.219 1.380 596 HA VAL 87 HA VAL 87 -5.970 -17.484 3.829 597 HB VAL 87 HB VAL 87 -7.362 -19.212 2.602 598 HG11 VAL 87 1HG1 VAL 87 -8.792 -17.657 3.371 599 HG12 VAL 87 2HG1 VAL 87 -7.810 -16.315 2.782 600 HG13 VAL 87 3HG1 VAL 87 -8.889 -17.170 1.679 601 HG21 VAL 87 3HG2 VAL 87 -6.827 -17.428 0.231 602 HG22 VAL 87 1HG2 VAL 87 -6.121 -19.028 0.459 603 HG23 VAL 87 2HG2 VAL 87 -7.867 -18.852 0.276 604 H ALA 88 H ALA 88 -4.033 -18.331 1.062 605 HA ALA 88 HA ALA 88 -3.395 -20.968 2.087 606 HB1 ALA 88 1HB ALA 88 -3.603 -20.231 -0.400 607 HB2 ALA 88 2HB ALA 88 -1.939 -19.687 -0.185 608 HB3 ALA 88 3HB ALA 88 -2.353 -21.383 0.070 609 H GLY 89 H GLY 89 -1.436 -18.115 1.186 610 HA2 GLY 89 2HA GLY 89 0.014 -17.222 3.014 611 HA3 GLY 89 3HA GLY 89 0.450 -18.897 3.323 612 H GLY 90 H GLY 90 2.555 -19.019 2.820 613 HA2 GLY 90 2HA GLY 90 3.637 -19.411 0.431 614 HA3 GLY 90 3HA GLY 90 3.560 -17.655 0.445 Start of MODEL 14 1 H1 MET 1 H MET 1 -3.922 11.456 6.244 2 HA MET 1 HA MET 1 -1.119 11.024 6.427 3 HB3 MET 1 2HB MET 1 -2.754 10.836 8.955 4 HG3 MET 1 2HG MET 1 -0.193 9.481 8.253 5 HE1 MET 1 3HE MET 1 0.741 12.262 9.902 6 HE2 MET 1 1HE MET 1 1.974 11.248 10.650 7 HE3 MET 1 2HE MET 1 1.480 10.949 8.984 8 H VAL 2 H VAL 2 -0.565 8.839 6.265 9 HA VAL 2 HA VAL 2 -2.837 6.988 5.939 10 HB VAL 2 HB VAL 2 -1.694 5.894 4.115 11 HG11 VAL 2 1HG1 VAL 2 -3.120 7.687 3.445 12 HG12 VAL 2 2HG1 VAL 2 -1.875 8.886 3.802 13 HG13 VAL 2 3HG1 VAL 2 -1.663 7.767 2.455 14 HG21 VAL 2 3HG2 VAL 2 0.559 7.554 5.025 15 HG22 VAL 2 1HG2 VAL 2 0.552 5.961 4.267 16 HG23 VAL 2 2HG2 VAL 2 0.385 7.411 3.276 17 H THR 3 H THR 3 -2.674 5.022 6.875 18 HA THR 3 HA THR 3 -0.108 4.325 8.145 19 HB THR 3 HB THR 3 -2.728 3.535 9.378 20 HG1 THR 3 1HG THR 3 -2.764 5.822 9.200 21 HG21 THR 3 3HG2 THR 3 0.136 3.636 10.168 22 HG22 THR 3 1HG2 THR 3 -1.089 2.415 10.512 23 HG23 THR 3 2HG2 THR 3 -1.071 3.927 11.420 24 H VAL 4 H VAL 4 0.685 2.478 7.403 25 HA VAL 4 HA VAL 4 -1.191 0.457 6.360 26 HB VAL 4 HB VAL 4 0.693 -0.364 4.970 27 HG11 VAL 4 1HG1 VAL 4 -0.277 0.878 3.409 28 HG12 VAL 4 2HG1 VAL 4 -0.831 2.025 4.631 29 HG13 VAL 4 3HG1 VAL 4 0.748 2.236 3.873 30 HG21 VAL 4 3HG2 VAL 4 2.083 2.074 6.069 31 HG22 VAL 4 1HG2 VAL 4 2.580 0.390 6.233 32 HG23 VAL 4 2HG2 VAL 4 2.636 1.177 4.655 33 H ARG 5 H ARG 5 -1.199 -1.504 7.267 34 HA ARG 5 HA ARG 5 0.924 -2.123 9.214 35 HB3 ARG 5 2HB ARG 5 -1.851 -3.301 9.211 36 HG3 ARG 5 2HG ARG 5 0.432 -3.293 11.112 37 HD3 ARG 5 2HD ARG 5 -2.402 -3.679 12.036 38 HE ARG 5 HE ARG 5 0.156 -3.877 13.345 39 HH11 ARG 5 1HH1 ARG 5 -3.257 -3.330 13.755 40 HH12 ARG 5 2HH1 ARG 5 -3.267 -3.815 15.419 41 HH21 ARG 5 1HH2 ARG 5 0.156 -4.518 15.534 42 HH22 ARG 5 2HH2 ARG 5 -1.326 -4.490 16.430 43 H TYR 6 H TYR 6 1.333 -4.473 9.530 44 HA TYR 6 HA TYR 6 0.908 -6.035 7.076 45 HB3 TYR 6 2HB TYR 6 3.226 -6.819 7.147 46 HD1 TYR 6 2HD TYR 6 1.818 -5.114 5.313 47 HD2 TYR 6 1HD TYR 6 5.000 -4.127 7.959 48 HE1 TYR 6 2HE TYR 6 2.462 -3.255 3.836 49 HE2 TYR 6 1HE TYR 6 5.653 -2.266 6.489 50 HH TYR 6 HH TYR 6 3.744 -0.967 4.212 51 H TYR 7 H TYR 7 1.944 -8.372 7.589 52 HA TYR 7 HA TYR 7 1.079 -9.193 10.272 53 HB3 TYR 7 2HB TYR 7 0.348 -10.756 7.797 54 HD1 TYR 7 2HD TYR 7 -1.627 -9.909 10.802 55 HD2 TYR 7 1HD TYR 7 0.562 -12.924 8.748 56 HE1 TYR 7 2HE TYR 7 -2.507 -11.599 12.358 57 HE2 TYR 7 1HE TYR 7 -0.313 -14.623 10.297 58 HH TYR 7 HH TYR 7 -2.906 -14.064 12.362 59 H ALA 8 H ALA 8 2.218 -10.825 7.315 60 HA ALA 8 HA ALA 8 4.714 -11.537 8.620 61 HB1 ALA 8 1HB ALA 8 2.776 -13.658 7.698 62 HB2 ALA 8 2HB ALA 8 4.426 -13.940 8.257 63 HB3 ALA 8 3HB ALA 8 3.214 -13.304 9.369 64 H THR 9 H THR 9 2.620 -11.806 5.788 65 HA THR 9 HA THR 9 4.569 -12.660 3.952 66 HB THR 9 HB THR 9 2.064 -11.038 3.466 67 HG1 THR 9 1HG THR 9 2.628 -13.830 3.327 68 HG21 THR 9 3HG2 THR 9 3.838 -12.526 1.527 69 HG22 THR 9 1HG2 THR 9 3.582 -10.783 1.592 70 HG23 THR 9 2HG2 THR 9 2.255 -11.854 1.138 71 H LEU 10 H LEU 10 3.882 -9.551 5.321 72 HA LEU 10 HA LEU 10 5.718 -8.266 3.419 73 HB3 LEU 10 2HB LEU 10 4.798 -6.138 4.463 74 HG LEU 10 HG LEU 10 2.818 -5.996 3.167 75 HD11 LEU 10 1HD1 LEU 10 3.722 -6.351 1.122 76 HD12 LEU 10 2HD1 LEU 10 4.229 -7.996 1.505 77 HD13 LEU 10 3HD1 LEU 10 5.173 -6.624 2.086 78 HD21 LEU 10 3HD2 LEU 10 1.590 -7.875 2.337 79 HD22 LEU 10 1HD2 LEU 10 1.785 -8.073 4.079 80 HD23 LEU 10 2HD2 LEU 10 2.791 -9.003 2.968 81 H ARG 11 H ARG 11 5.671 -9.623 6.440 82 HA ARG 11 HA ARG 11 7.032 -7.904 8.114 83 HB3 ARG 11 2HB ARG 11 8.126 -10.537 8.412 84 HG3 ARG 11 2HG ARG 11 6.048 -10.307 10.221 85 HD3 ARG 11 2HD ARG 11 7.870 -9.471 11.754 86 HE ARG 11 HE ARG 11 9.073 -11.734 10.460 87 HH11 ARG 11 1HH1 ARG 11 6.416 -10.650 12.431 88 HH12 ARG 11 2HH1 ARG 11 6.134 -12.206 13.137 89 HH21 ARG 11 1HH2 ARG 11 8.711 -13.788 11.382 90 HH22 ARG 11 2HH2 ARG 11 7.440 -13.991 12.540 91 HA PRO 12 HA PRO 12 11.239 -9.508 6.362 92 HB3 PRO 12 2HB PRO 12 11.064 -11.704 5.708 93 HG3 PRO 12 2HG PRO 12 9.094 -12.528 4.789 94 HD3 PRO 12 2HD PRO 12 8.252 -11.498 6.670 95 H ILE 13 H ILE 13 8.676 -8.168 4.599 96 HA ILE 13 HA ILE 13 10.417 -7.056 2.528 97 HB ILE 13 HB ILE 13 7.463 -6.549 2.801 98 HG13 ILE 13 2HG1 ILE 13 7.612 -8.928 2.765 99 HG21 ILE 13 1HG2 ILE 13 9.202 -6.623 0.345 100 HG22 ILE 13 2HG2 ILE 13 7.552 -6.016 0.484 101 HG23 ILE 13 3HG2 ILE 13 8.878 -5.157 1.268 102 HD11 ILE 13 3HD1 ILE 13 7.426 -8.784 -0.138 103 HD12 ILE 13 1HD1 ILE 13 6.254 -9.350 1.052 104 HD13 ILE 13 2HD1 ILE 13 6.393 -7.626 0.701 105 H THR 14 H THR 14 8.903 -6.213 5.498 106 HA THR 14 HA THR 14 9.491 -3.364 5.043 107 HB THR 14 HB THR 14 7.133 -3.920 5.647 108 HG1 THR 14 1HG THR 14 8.801 -2.214 7.092 109 HG21 THR 14 3HG2 THR 14 7.553 -4.265 8.465 110 HG22 THR 14 1HG2 THR 14 8.375 -5.548 7.579 111 HG23 THR 14 2HG2 THR 14 6.648 -5.282 7.343 112 H LYS 15 H LYS 15 10.634 -6.110 6.571 113 HA LYS 15 HA LYS 15 12.294 -6.491 8.079 114 HB3 LYS 15 2HB LYS 15 13.966 -4.805 8.416 115 HG3 LYS 15 2HG LYS 15 14.325 -3.861 6.138 116 HD3 LYS 15 2HD LYS 15 13.507 -6.751 5.978 117 HE3 LYS 15 2HE LYS 15 15.959 -6.560 4.885 118 HZ1 LYS 15 3HZ LYS 15 13.686 -7.291 3.928 119 HZ2 LYS 15 1HZ LYS 15 14.926 -6.841 2.868 120 HZ3 LYS 15 2HZ LYS 15 13.676 -5.756 3.214 121 H LYS 16 H LYS 16 9.667 -6.001 9.032 122 HA LYS 16 HA LYS 16 8.495 -5.559 10.935 123 HB3 LYS 16 2HB LYS 16 9.679 -5.984 13.042 124 HG3 LYS 16 2HG LYS 16 10.094 -7.793 10.734 125 HD3 LYS 16 2HD LYS 16 11.062 -9.415 12.546 126 HE3 LYS 16 2HE LYS 16 12.809 -7.304 11.284 127 HZ1 LYS 16 3HZ LYS 16 14.332 -8.493 12.420 128 HZ2 LYS 16 1HZ LYS 16 14.167 -9.571 11.126 129 HZ3 LYS 16 2HZ LYS 16 13.341 -9.855 12.574 130 H LYS 17 H LYS 17 8.365 -3.319 9.954 131 HA LYS 17 HA LYS 17 8.811 -1.401 12.022 132 HB3 LYS 17 2HB LYS 17 10.060 0.066 10.116 133 HG3 LYS 17 2HG LYS 17 11.770 -1.748 11.756 134 HD3 LYS 17 2HD LYS 17 12.995 0.339 12.155 135 HE3 LYS 17 2HE LYS 17 12.436 0.055 9.209 136 HZ1 LYS 17 3HZ LYS 17 15.149 0.279 9.969 137 HZ2 LYS 17 1HZ LYS 17 14.271 1.567 10.627 138 HZ3 LYS 17 2HZ LYS 17 14.242 1.289 8.959 139 H GLU 18 H GLU 18 6.805 -0.601 11.984 140 HA GLU 18 HA GLU 18 5.640 0.142 9.386 141 HB3 GLU 18 2HB GLU 18 4.377 -0.554 12.032 142 HG3 GLU 18 2HG GLU 18 3.061 0.648 9.612 143 H GLU 19 H GLU 19 4.833 2.189 9.043 144 HA GLU 19 HA GLU 19 4.818 4.153 11.157 145 HB3 GLU 19 2HB GLU 19 6.327 5.640 9.560 146 HG3 GLU 19 2HG GLU 19 7.847 3.636 11.160 147 H THR 20 H THR 20 4.047 6.282 10.377 148 HA THR 20 HA THR 20 2.127 5.895 8.192 149 HB THR 20 HB THR 20 1.107 8.041 9.145 150 HG1 THR 20 1HG THR 20 3.133 8.389 10.451 151 HG21 THR 20 3HG2 THR 20 0.123 5.828 9.498 152 HG22 THR 20 1HG2 THR 20 -0.050 6.832 10.936 153 HG23 THR 20 2HG2 THR 20 1.183 5.572 10.884 154 H PHE 21 H PHE 21 1.660 7.789 6.808 155 HA PHE 21 HA PHE 21 4.030 9.478 6.373 156 HB3 PHE 21 2HB PHE 21 3.885 9.176 3.994 157 HD1 PHE 21 1HD PHE 21 2.408 5.981 5.065 158 HD2 PHE 21 2HD PHE 21 5.998 8.132 4.293 159 HE1 PHE 21 1HE PHE 21 3.684 3.880 5.166 160 HE2 PHE 21 2HE PHE 21 7.280 6.034 4.390 161 HZ PHE 21 HZ PHE 21 6.123 3.905 4.827 162 H ASN 22 H ASN 22 3.652 11.566 5.700 163 HA ASN 22 HA ASN 22 0.827 12.384 5.511 164 HB3 ASN 22 2HB ASN 22 2.985 14.099 6.735 165 HD21 ASN 22 1HD2 ASN 22 2.285 16.090 6.883 166 HD22 ASN 22 2HD2 ASN 22 0.637 16.590 7.016 167 H GLY 23 H GLY 23 0.511 14.479 4.391 168 HA2 GLY 23 2HA GLY 23 1.680 16.179 2.974 169 HA3 GLY 23 3HA GLY 23 2.527 14.817 2.255 170 H ILE 24 H ILE 24 0.790 13.022 1.567 171 HA ILE 24 HA ILE 24 -1.184 14.447 -0.094 172 HB ILE 24 HB ILE 24 0.663 13.327 -1.347 173 HG13 ILE 24 2HG1 ILE 24 -2.015 13.452 -1.921 174 HG21 ILE 24 1HG2 ILE 24 0.117 11.221 0.427 175 HG22 ILE 24 2HG2 ILE 24 -0.341 10.649 -1.176 176 HG23 ILE 24 3HG2 ILE 24 1.292 11.249 -0.887 177 HD11 ILE 24 3HD1 ILE 24 -0.635 12.134 -4.084 178 HD12 ILE 24 1HD1 ILE 24 -1.292 13.766 -3.990 179 HD13 ILE 24 2HD1 ILE 24 0.331 13.434 -3.386 180 H SER 25 H SER 25 -3.229 13.514 -0.405 181 HA SER 25 HA SER 25 -3.940 11.435 1.560 182 HB3 SER 25 2HB SER 25 -6.255 12.554 1.476 183 HG SER 25 HG SER 25 -5.524 14.205 2.955 184 H LYS 26 H LYS 26 -3.121 10.501 -0.791 185 HA LYS 26 HA LYS 26 -5.585 9.469 -1.963 186 HB3 LYS 26 2HB LYS 26 -4.714 9.784 -4.263 187 HG3 LYS 26 2HG LYS 26 -4.687 12.495 -3.006 188 HD3 LYS 26 2HD LYS 26 -6.361 12.715 -5.022 189 HE3 LYS 26 2HE LYS 26 -4.280 12.964 -6.555 190 HZ1 LYS 26 3HZ LYS 26 -4.423 15.056 -5.890 191 HZ2 LYS 26 1HZ LYS 26 -3.673 14.699 -4.415 192 HZ3 LYS 26 2HZ LYS 26 -5.353 14.567 -4.565 193 H ILE 27 H ILE 27 -5.256 7.508 -3.210 194 HA ILE 27 HA ILE 27 -3.287 5.813 -1.995 195 HB ILE 27 HB ILE 27 -5.268 5.257 -4.205 196 HG13 ILE 27 2HG1 ILE 27 -6.555 4.124 -2.478 197 HG21 ILE 27 1HG2 ILE 27 -3.413 3.733 -4.404 198 HG22 ILE 27 2HG2 ILE 27 -3.476 3.375 -2.679 199 HG23 ILE 27 3HG2 ILE 27 -4.799 2.874 -3.734 200 HD11 ILE 27 3HD1 ILE 27 -4.139 4.200 -0.986 201 HD12 ILE 27 1HD1 ILE 27 -5.385 5.074 -0.096 202 HD13 ILE 27 2HD1 ILE 27 -5.662 3.404 -0.593 203 H SER 28 H SER 28 -3.535 7.614 -4.936 204 HA SER 28 HA SER 28 -1.812 6.203 -6.607 205 HB3 SER 28 2HB SER 28 -1.350 8.487 -7.635 206 HG SER 28 HG SER 28 -3.995 8.634 -7.598 207 H GLU 29 H GLU 29 -1.025 8.899 -4.409 208 HA GLU 29 HA GLU 29 1.793 8.612 -4.811 209 HB3 GLU 29 2HB GLU 29 1.516 10.050 -2.480 210 HG3 GLU 29 2HG GLU 29 1.734 12.050 -3.795 211 H LEU 30 H LEU 30 -0.539 7.364 -2.541 212 HA LEU 30 HA LEU 30 1.219 6.563 -0.498 213 HB3 LEU 30 2HB LEU 30 -1.391 5.318 -1.353 214 HG LEU 30 HG LEU 30 -1.599 4.887 1.177 215 HD11 LEU 30 1HD1 LEU 30 0.400 3.125 -0.190 216 HD12 LEU 30 2HD1 LEU 30 -1.263 3.232 -0.767 217 HD13 LEU 30 3HD1 LEU 30 -0.933 2.683 0.876 218 HD21 LEU 30 3HD2 LEU 30 0.580 6.184 1.583 219 HD22 LEU 30 1HD2 LEU 30 1.392 4.716 1.039 220 HD23 LEU 30 2HD2 LEU 30 0.339 4.669 2.454 221 H LEU 31 H LEU 31 -0.105 4.743 -3.256 222 HA LEU 31 HA LEU 31 1.412 2.395 -2.703 223 HB3 LEU 31 2HB LEU 31 0.787 2.010 -5.242 224 HG LEU 31 HG LEU 31 -1.365 2.070 -3.128 225 HD11 LEU 31 1HD1 LEU 31 -2.678 1.736 -4.922 226 HD12 LEU 31 2HD1 LEU 31 -2.045 0.092 -4.832 227 HD13 LEU 31 3HD1 LEU 31 -1.330 1.251 -5.953 228 HD21 LEU 31 3HD2 LEU 31 0.952 0.454 -3.404 229 HD22 LEU 31 1HD2 LEU 31 -0.458 -0.539 -3.777 230 HD23 LEU 31 2HD2 LEU 31 -0.359 0.308 -2.233 231 H GLU 32 H GLU 32 1.807 5.122 -4.924 232 HA GLU 32 HA GLU 32 4.056 4.157 -6.299 233 HB3 GLU 32 2HB GLU 32 3.127 6.972 -5.733 234 HG3 GLU 32 2HG GLU 32 5.510 7.041 -6.252 235 H ARG 33 H ARG 33 3.804 6.211 -3.414 236 HA ARG 33 HA ARG 33 6.589 6.553 -3.063 237 HB3 ARG 33 2HB ARG 33 4.332 6.737 -1.062 238 HG3 ARG 33 2HG ARG 33 7.052 7.998 -0.852 239 HD3 ARG 33 2HD ARG 33 6.208 8.186 1.572 240 HE ARG 33 HE ARG 33 4.611 10.045 0.115 241 HH11 ARG 33 1HH1 ARG 33 7.893 9.099 0.789 242 HH12 ARG 33 2HH1 ARG 33 8.546 10.676 0.488 243 HH21 ARG 33 1HH2 ARG 33 5.459 12.123 -0.285 244 HH22 ARG 33 2HH2 ARG 33 7.161 12.395 -0.122 245 H LEU 34 H LEU 34 4.258 4.303 -1.607 246 HA LEU 34 HA LEU 34 6.103 2.996 0.079 247 HB3 LEU 34 2HB LEU 34 4.365 1.114 -0.044 248 HG LEU 34 HG LEU 34 3.326 3.828 0.774 249 HD11 LEU 34 1HD1 LEU 34 2.458 1.231 1.956 250 HD12 LEU 34 2HD1 LEU 34 1.739 1.784 0.445 251 HD13 LEU 34 3HD1 LEU 34 1.616 2.779 1.896 252 HD21 LEU 34 3HD2 LEU 34 5.427 2.229 1.836 253 HD22 LEU 34 1HD2 LEU 34 4.077 2.209 2.971 254 HD23 LEU 34 2HD2 LEU 34 4.771 3.746 2.453 255 H LYS 35 H LYS 35 5.248 2.578 -3.282 256 HA LYS 35 HA LYS 35 6.248 0.021 -3.749 257 HB3 LYS 35 2HB LYS 35 6.003 2.463 -5.487 258 HG3 LYS 35 2HG LYS 35 6.903 -0.263 -6.398 259 HD3 LYS 35 2HD LYS 35 7.131 1.542 -8.483 260 HE3 LYS 35 2HE LYS 35 4.634 -0.030 -8.343 261 HZ1 LYS 35 3HZ LYS 35 6.876 0.294 -10.236 262 HZ2 LYS 35 1HZ LYS 35 5.238 0.648 -10.467 263 HZ3 LYS 35 2HZ LYS 35 5.758 -0.961 -10.416 264 H VAL 36 H VAL 36 7.918 3.155 -4.030 265 HA VAL 36 HA VAL 36 10.457 1.921 -4.559 266 HB VAL 36 HB VAL 36 9.945 4.132 -5.470 267 HG11 VAL 36 1HG1 VAL 36 9.990 5.081 -2.607 268 HG12 VAL 36 2HG1 VAL 36 9.821 6.095 -4.041 269 HG13 VAL 36 3HG1 VAL 36 8.553 4.943 -3.619 270 HG21 VAL 36 3HG2 VAL 36 12.099 4.891 -3.636 271 HG22 VAL 36 1HG2 VAL 36 12.315 3.315 -4.396 272 HG23 VAL 36 2HG2 VAL 36 12.101 4.752 -5.394 273 H GLU 37 H GLU 37 8.819 3.269 -1.757 274 HA GLU 37 HA GLU 37 10.886 3.551 0.034 275 HB3 GLU 37 2HB GLU 37 8.073 2.556 0.496 276 HG3 GLU 37 2HG GLU 37 9.429 1.894 2.406 277 H TYR 38 H TYR 38 9.005 0.593 -0.592 278 HA TYR 38 HA TYR 38 10.952 -0.956 0.942 279 HB3 TYR 38 2HB TYR 38 9.337 -2.812 0.699 280 HD1 TYR 38 2HD TYR 38 9.811 -2.062 3.106 281 HD2 TYR 38 1HD TYR 38 6.704 -0.403 0.719 282 HE1 TYR 38 2HE TYR 38 8.690 -1.250 5.139 283 HE2 TYR 38 1HE TYR 38 5.576 0.416 2.744 284 HH TYR 38 HH TYR 38 7.041 0.643 5.699 285 H GLY 39 H GLY 39 9.653 -0.635 -2.321 286 HA2 GLY 39 2HA GLY 39 11.435 -0.973 -4.062 287 HA3 GLY 39 3HA GLY 39 11.743 -2.503 -3.255 288 H SER 40 H SER 40 11.349 -3.034 -5.674 289 HA SER 40 HA SER 40 8.673 -3.051 -6.627 290 HB3 SER 40 2HB SER 40 9.517 -4.046 -8.526 291 HG SER 40 HG SER 40 11.954 -3.580 -8.466 292 H GLU 41 H GLU 41 10.596 -5.267 -4.729 293 HA GLU 41 HA GLU 41 9.203 -7.629 -4.996 294 HB3 GLU 41 2HB GLU 41 9.835 -7.935 -2.491 295 HG3 GLU 41 2HG GLU 41 11.169 -8.798 -4.413 296 H PHE 42 H PHE 42 8.528 -4.968 -2.735 297 HA PHE 42 HA PHE 42 6.287 -6.129 -1.511 298 HB3 PHE 42 2HB PHE 42 7.004 -3.218 -1.909 299 HD1 PHE 42 1HD PHE 42 5.681 -4.853 1.093 300 HD2 PHE 42 2HD PHE 42 4.816 -2.279 -2.185 301 HE1 PHE 42 1HE PHE 42 3.589 -4.163 2.190 302 HE2 PHE 42 2HE PHE 42 2.724 -1.585 -1.092 303 HZ PHE 42 HZ PHE 42 2.109 -2.527 1.098 304 H THR 43 H THR 43 6.458 -3.759 -4.164 305 HA THR 43 HA THR 43 3.739 -3.512 -4.662 306 HB THR 43 HB THR 43 5.298 -3.509 -7.125 307 HG1 THR 43 1HG THR 43 6.165 -1.667 -5.155 308 HG21 THR 43 3HG2 THR 43 4.446 -0.947 -6.034 309 HG22 THR 43 1HG2 THR 43 3.154 -2.147 -6.038 310 HG23 THR 43 2HG2 THR 43 3.986 -1.741 -7.539 311 H LYS 44 H LYS 44 6.055 -5.845 -5.995 312 HA LYS 44 HA LYS 44 4.180 -7.138 -7.692 313 HB3 LYS 44 2HB LYS 44 5.895 -8.913 -7.861 314 HG3 LYS 44 2HG LYS 44 7.876 -7.423 -8.491 315 HD3 LYS 44 2HD LYS 44 5.342 -6.542 -9.820 316 HE3 LYS 44 2HE LYS 44 7.528 -5.806 -10.698 317 HZ1 LYS 44 3HZ LYS 44 9.086 -7.413 -10.332 318 HZ2 LYS 44 1HZ LYS 44 8.698 -7.765 -11.941 319 HZ3 LYS 44 2HZ LYS 44 8.039 -8.693 -10.689 320 H GLN 45 H GLN 45 4.988 -7.429 -4.336 321 HA GLN 45 HA GLN 45 3.834 -10.030 -3.975 322 HB3 GLN 45 2HB GLN 45 4.244 -8.043 -1.761 323 HG3 GLN 45 2HG GLN 45 4.982 -9.993 -0.506 324 HE21 GLN 45 1HE2 GLN 45 3.011 -8.688 0.146 325 HE22 GLN 45 2HE2 GLN 45 1.500 -9.526 0.139 326 H MET 46 H MET 46 2.777 -6.696 -3.471 327 HA MET 46 HA MET 46 0.141 -7.633 -2.622 328 HB3 MET 46 2HB MET 46 0.967 -4.752 -2.860 329 HG3 MET 46 2HG MET 46 -0.743 -6.023 -0.754 330 HE1 MET 46 3HE MET 46 -2.221 -3.179 -2.686 331 HE2 MET 46 1HE MET 46 -1.447 -1.714 -2.083 332 HE3 MET 46 2HE MET 46 -0.553 -2.816 -3.129 333 H TYR 47 H TYR 47 1.564 -7.293 -5.467 334 HA TYR 47 HA TYR 47 -0.787 -7.185 -6.971 335 HB3 TYR 47 2HB TYR 47 0.628 -4.704 -7.675 336 HD1 TYR 47 2HD TYR 47 -2.627 -6.017 -6.375 337 HD2 TYR 47 1HD TYR 47 -0.627 -3.652 -9.291 338 HE1 TYR 47 2HE TYR 47 -4.779 -5.573 -7.480 339 HE2 TYR 47 1HE TYR 47 -2.774 -3.199 -10.404 340 HH TYR 47 HH TYR 47 -5.781 -4.689 -9.270 341 H ASP 48 H ASP 48 0.043 -8.793 -8.199 342 HA ASP 48 HA ASP 48 2.567 -8.273 -9.619 343 HB3 ASP 48 2HB ASP 48 1.181 -10.830 -8.839 344 H GLY 49 H GLY 49 1.707 -7.031 -11.297 345 HA2 GLY 49 2HA GLY 49 1.143 -7.036 -13.579 346 HA3 GLY 49 3HA GLY 49 0.388 -8.609 -13.367 347 H ASN 50 H ASN 50 -1.759 -8.743 -12.783 348 HA ASN 50 HA ASN 50 -3.216 -6.182 -12.745 349 HB3 ASN 50 2HB ASN 50 -5.136 -7.533 -13.712 350 HD21 ASN 50 1HD2 ASN 50 -2.835 -8.850 -15.772 351 HD22 ASN 50 2HD2 ASN 50 -2.725 -7.545 -16.897 352 H ASN 51 H ASN 51 -2.624 -9.171 -11.169 353 HA ASN 51 HA ASN 51 -4.420 -8.385 -9.008 354 HB3 ASN 51 2HB ASN 51 -5.085 -10.899 -8.862 355 HD21 ASN 51 1HD2 ASN 51 -6.886 -9.701 -8.261 356 HD22 ASN 51 2HD2 ASN 51 -8.053 -9.158 -9.414 357 H LEU 52 H LEU 52 -4.027 -9.677 -7.018 358 HA LEU 52 HA LEU 52 -1.393 -9.633 -6.231 359 HB3 LEU 52 2HB LEU 52 -2.054 -10.966 -4.317 360 HG LEU 52 HG LEU 52 -3.500 -9.542 -3.323 361 HD11 LEU 52 1HD1 LEU 52 -3.337 -7.945 -5.854 362 HD12 LEU 52 2HD1 LEU 52 -1.912 -8.241 -4.858 363 HD13 LEU 52 3HD1 LEU 52 -3.298 -7.385 -4.181 364 HD21 LEU 52 3HD2 LEU 52 -5.373 -8.632 -5.199 365 HD22 LEU 52 1HD2 LEU 52 -5.640 -9.761 -3.870 366 HD23 LEU 52 2HD2 LEU 52 -5.217 -10.369 -5.471 367 H PHE 53 H PHE 53 0.068 -11.385 -5.636 368 HA PHE 53 HA PHE 53 0.365 -13.254 -7.797 369 HB3 PHE 53 2HB PHE 53 1.973 -12.749 -5.291 370 HD1 PHE 53 1HD PHE 53 2.454 -14.319 -8.645 371 HD2 PHE 53 2HD PHE 53 3.121 -14.538 -4.447 372 HE1 PHE 53 1HE PHE 53 3.749 -16.386 -8.962 373 HE2 PHE 53 2HE PHE 53 4.418 -16.606 -4.758 374 HZ PHE 53 HZ PHE 53 4.732 -17.533 -7.017 375 H LYS 54 H LYS 54 0.345 -13.757 -4.265 376 HA LYS 54 HA LYS 54 -0.501 -16.506 -4.649 377 HB3 LYS 54 2HB LYS 54 0.121 -14.944 -2.135 378 HG3 LYS 54 2HG LYS 54 -1.386 -16.901 -1.751 379 HD3 LYS 54 2HD LYS 54 -0.370 -18.289 -3.595 380 HE3 LYS 54 2HE LYS 54 1.867 -18.293 -1.623 381 HZ1 LYS 54 3HZ LYS 54 2.303 -20.444 -1.823 382 HZ2 LYS 54 1HZ LYS 54 2.111 -20.406 -3.503 383 HZ3 LYS 54 2HZ LYS 54 0.770 -20.658 -2.504 384 H ASN 55 H ASN 55 -1.685 -13.707 -2.777 385 HA ASN 55 HA ASN 55 -4.272 -13.627 -3.535 386 HB3 ASN 55 2HB ASN 55 -5.048 -15.086 -1.305 387 HD21 ASN 55 1HD2 ASN 55 -4.967 -17.685 -2.838 388 HD22 ASN 55 2HD2 ASN 55 -6.160 -17.484 -4.072 389 H VAL 56 H VAL 56 -2.492 -11.845 -2.525 390 HA VAL 56 HA VAL 56 -2.793 -11.279 0.231 391 HB VAL 56 HB VAL 56 -2.204 -9.205 -1.870 392 HG11 VAL 56 1HG1 VAL 56 -0.864 -8.196 -0.117 393 HG12 VAL 56 2HG1 VAL 56 -2.516 -8.451 0.451 394 HG13 VAL 56 3HG1 VAL 56 -1.227 -9.541 0.964 395 HG21 VAL 56 3HG2 VAL 56 -0.516 -11.478 -0.926 396 HG22 VAL 56 1HG2 VAL 56 -0.674 -10.788 -2.540 397 HG23 VAL 56 2HG2 VAL 56 0.246 -9.933 -1.302 398 H ILE 57 H ILE 57 -4.197 -9.982 1.326 399 HA ILE 57 HA ILE 57 -6.381 -8.754 -0.220 400 HB ILE 57 HB ILE 57 -6.659 -10.223 2.404 401 HG13 ILE 57 2HG1 ILE 57 -6.391 -11.527 0.181 402 HG21 ILE 57 1HG2 ILE 57 -8.262 -8.182 1.191 403 HG22 ILE 57 2HG2 ILE 57 -9.167 -9.695 1.257 404 HG23 ILE 57 3HG2 ILE 57 -8.488 -9.009 2.733 405 HD11 ILE 57 3HD1 ILE 57 -7.616 -13.257 0.971 406 HD12 ILE 57 1HD1 ILE 57 -7.595 -12.257 2.424 407 HD13 ILE 57 2HD1 ILE 57 -9.004 -12.244 1.363 408 H ILE 58 H ILE 58 -6.080 -6.628 -0.024 409 HA ILE 58 HA ILE 58 -5.574 -5.548 2.671 410 HB ILE 58 HB ILE 58 -3.621 -4.879 1.734 411 HG13 ILE 58 2HG1 ILE 58 -5.049 -2.840 2.162 412 HG21 ILE 58 1HG2 ILE 58 -3.416 -4.343 -0.744 413 HG22 ILE 58 2HG2 ILE 58 -3.718 -6.026 -0.313 414 HG23 ILE 58 3HG2 ILE 58 -5.036 -5.019 -0.910 415 HD11 ILE 58 3HD1 ILE 58 -3.066 -2.426 -0.058 416 HD12 ILE 58 1HD1 ILE 58 -3.595 -1.248 1.143 417 HD13 ILE 58 2HD1 ILE 58 -2.631 -2.640 1.636 418 H LEU 59 H LEU 59 -6.873 -3.933 3.364 419 HA LEU 59 HA LEU 59 -8.858 -2.883 1.455 420 HB3 LEU 59 2HB LEU 59 -10.256 -2.621 3.636 421 HG LEU 59 HG LEU 59 -9.901 -5.145 2.094 422 HD11 LEU 59 1HD1 LEU 59 -11.601 -4.900 4.572 423 HD12 LEU 59 2HD1 LEU 59 -10.183 -5.931 4.379 424 HD13 LEU 59 3HD1 LEU 59 -11.633 -6.240 3.426 425 HD21 LEU 59 3HD2 LEU 59 -12.575 -4.130 2.512 426 HD22 LEU 59 1HD2 LEU 59 -11.691 -4.393 1.010 427 HD23 LEU 59 2HD2 LEU 59 -11.495 -2.878 1.894 428 H VAL 60 H VAL 60 -9.169 -0.722 1.398 429 HA VAL 60 HA VAL 60 -7.487 0.906 3.174 430 HB VAL 60 HB VAL 60 -8.722 1.636 0.515 431 HG11 VAL 60 1HG1 VAL 60 -6.822 3.164 2.291 432 HG12 VAL 60 2HG1 VAL 60 -7.305 3.643 0.662 433 HG13 VAL 60 3HG1 VAL 60 -8.503 3.576 1.955 434 HG21 VAL 60 3HG2 VAL 60 -6.890 0.865 -0.494 435 HG22 VAL 60 1HG2 VAL 60 -5.830 1.651 0.675 436 HG23 VAL 60 2HG2 VAL 60 -6.499 0.057 1.023 437 H ASN 61 H ASN 61 -8.480 1.897 4.791 438 HA ASN 61 HA ASN 61 -10.040 2.983 6.040 439 HB3 ASN 61 2HB ASN 61 -11.356 3.654 3.401 440 HD21 ASN 61 1HD2 ASN 61 -10.597 4.730 6.692 441 HD22 ASN 61 2HD2 ASN 61 -12.052 5.636 6.914 442 H GLY 62 H GLY 62 -10.385 0.223 5.651 443 HA2 GLY 62 2HA GLY 62 -11.933 -1.444 5.953 444 HA3 GLY 62 3HA GLY 62 -12.944 -0.192 6.660 445 H ASN 63 H ASN 63 -11.806 -0.332 3.322 446 HA ASN 63 HA ASN 63 -14.133 -1.462 2.206 447 HB3 ASN 63 2HB ASN 63 -14.097 1.466 1.619 448 HD21 ASN 63 1HD2 ASN 63 -16.735 -0.167 3.112 449 HD22 ASN 63 2HD2 ASN 63 -17.701 -0.360 1.693 450 H ASN 64 H ASN 64 -13.355 -2.337 0.415 451 HA ASN 64 HA ASN 64 -10.922 -1.796 -0.760 452 HB3 ASN 64 2HB ASN 64 -11.889 -3.837 -1.368 453 HD21 ASN 64 1HD2 ASN 64 -13.761 -4.176 -0.122 454 HD22 ASN 64 2HD2 ASN 64 -15.336 -4.021 -0.814 455 H ILE 65 H ILE 65 -10.149 -0.256 -2.052 456 HA ILE 65 HA ILE 65 -11.518 2.089 -2.629 457 HB ILE 65 HB ILE 65 -9.701 2.629 -4.182 458 HG13 ILE 65 2HG1 ILE 65 -9.436 0.462 -5.263 459 HG21 ILE 65 1HG2 ILE 65 -8.260 1.268 -1.981 460 HG22 ILE 65 2HG2 ILE 65 -8.165 2.938 -2.539 461 HG23 ILE 65 3HG2 ILE 65 -9.518 2.421 -1.533 462 HD11 ILE 65 3HD1 ILE 65 -7.346 0.949 -5.773 463 HD12 ILE 65 1HD1 ILE 65 -7.249 1.999 -4.360 464 HD13 ILE 65 2HD1 ILE 65 -6.799 0.299 -4.227 465 H THR 66 H THR 66 -11.421 -0.916 -4.360 466 HA THR 66 HA THR 66 -12.182 -0.069 -6.913 467 HB THR 66 HB THR 66 -13.089 -2.356 -7.224 468 HG1 THR 66 1HG THR 66 -13.253 -3.730 -5.528 469 HG21 THR 66 3HG2 THR 66 -10.848 -2.376 -7.707 470 HG22 THR 66 1HG2 THR 66 -10.874 -3.519 -6.366 471 HG23 THR 66 2HG2 THR 66 -10.382 -1.848 -6.091 472 H SER 67 H SER 67 -14.003 -0.374 -3.976 473 HA SER 67 HA SER 67 -16.590 -0.683 -4.831 474 HB3 SER 67 2HB SER 67 -15.896 1.357 -2.726 475 HG SER 67 HG SER 67 -17.700 -0.164 -1.821 476 H MET 68 H MET 68 -14.713 2.326 -4.714 477 HA MET 68 HA MET 68 -16.743 3.552 -6.464 478 HB3 MET 68 2HB MET 68 -16.983 5.026 -4.778 479 HG3 MET 68 2HG MET 68 -14.247 4.323 -3.744 480 HE1 MET 68 3HE MET 68 -16.609 5.138 -0.512 481 HE2 MET 68 1HE MET 68 -17.597 6.242 -1.469 482 HE3 MET 68 2HE MET 68 -17.370 4.576 -2.001 483 H LYS 69 H LYS 69 -13.471 4.525 -5.473 484 HA LYS 69 HA LYS 69 -12.689 4.477 -8.315 485 HB3 LYS 69 2HB LYS 69 -11.094 6.397 -7.526 486 HG3 LYS 69 2HG LYS 69 -14.015 6.680 -8.105 487 HD3 LYS 69 2HD LYS 69 -13.336 9.147 -8.524 488 HE3 LYS 69 2HE LYS 69 -14.779 7.971 -6.591 489 HZ1 LYS 69 3HZ LYS 69 -12.318 8.697 -5.339 490 HZ2 LYS 69 1HZ LYS 69 -13.619 7.810 -4.720 491 HZ3 LYS 69 2HZ LYS 69 -13.632 9.500 -4.640 492 H GLY 70 H GLY 70 -10.889 3.374 -8.791 493 HA2 GLY 70 2HA GLY 70 -9.628 1.706 -6.939 494 HA3 GLY 70 3HA GLY 70 -8.991 2.113 -8.525 495 H LEU 71 H LEU 71 -7.335 3.554 -8.703 496 HA LEU 71 HA LEU 71 -5.863 4.133 -6.311 497 HB3 LEU 71 2HB LEU 71 -5.108 5.401 -8.878 498 HG LEU 71 HG LEU 71 -3.567 5.319 -6.871 499 HD11 LEU 71 1HD1 LEU 71 -2.371 3.276 -6.440 500 HD12 LEU 71 2HD1 LEU 71 -3.273 2.437 -7.701 501 HD13 LEU 71 3HD1 LEU 71 -4.100 2.986 -6.243 502 HD21 LEU 71 3HD2 LEU 71 -2.810 5.799 -9.160 503 HD22 LEU 71 1HD2 LEU 71 -2.576 4.071 -9.433 504 HD23 LEU 71 2HD2 LEU 71 -1.599 4.914 -8.230 505 H ASP 72 H ASP 72 -8.254 5.745 -8.107 506 HA ASP 72 HA ASP 72 -7.453 8.431 -7.506 507 HB3 ASP 72 2HB ASP 72 -10.112 8.635 -8.047 508 H THR 73 H THR 73 -8.748 5.958 -5.665 509 HA THR 73 HA THR 73 -10.604 7.273 -4.026 510 HB THR 73 HB THR 73 -9.086 4.773 -3.910 511 HG1 THR 73 1HG THR 73 -11.684 5.701 -3.287 512 HG21 THR 73 3HG2 THR 73 -9.527 4.468 -1.457 513 HG22 THR 73 1HG2 THR 73 -9.821 6.204 -1.358 514 HG23 THR 73 2HG2 THR 73 -8.232 5.606 -1.835 515 H GLU 74 H GLU 74 -10.395 8.773 -2.496 516 HA GLU 74 HA GLU 74 -7.775 9.792 -1.846 517 HB3 GLU 74 2HB GLU 74 -9.799 11.237 -2.251 518 HG3 GLU 74 2HG GLU 74 -10.558 10.302 0.507 519 H ILE 75 H ILE 75 -7.131 10.219 0.406 520 HA ILE 75 HA ILE 75 -8.269 8.458 2.423 521 HB ILE 75 HB ILE 75 -5.902 7.653 2.994 522 HG13 ILE 75 2HG1 ILE 75 -4.699 9.167 1.481 523 HG21 ILE 75 1HG2 ILE 75 -6.150 5.701 1.645 524 HG22 ILE 75 2HG2 ILE 75 -7.765 6.277 2.055 525 HG23 ILE 75 3HG2 ILE 75 -7.102 6.581 0.450 526 HD11 ILE 75 3HD1 ILE 75 -4.112 6.660 0.088 527 HD12 ILE 75 1HD1 ILE 75 -3.049 7.741 0.991 528 HD13 ILE 75 2HD1 ILE 75 -4.049 6.566 1.849 529 H LYS 76 H LYS 76 -8.528 9.706 4.141 530 HA LYS 76 HA LYS 76 -6.755 11.988 4.564 531 HB3 LYS 76 2HB LYS 76 -8.412 12.722 6.211 532 HG3 LYS 76 2HG LYS 76 -9.993 11.787 3.841 533 HD3 LYS 76 2HD LYS 76 -10.922 13.165 5.841 534 HE3 LYS 76 2HE LYS 76 -9.696 15.397 4.238 535 HZ1 LYS 76 3HZ LYS 76 -10.454 15.846 6.970 536 HZ2 LYS 76 1HZ LYS 76 -11.760 15.392 5.996 537 HZ3 LYS 76 2HZ LYS 76 -10.828 16.742 5.585 538 H ASP 77 H ASP 77 -6.377 12.465 7.011 539 HA ASP 77 HA ASP 77 -4.592 10.569 7.999 540 HB3 ASP 77 2HB ASP 77 -4.662 13.007 8.601 541 H ASP 78 H ASP 78 -8.016 10.784 8.318 542 HA ASP 78 HA ASP 78 -8.208 9.113 10.650 543 HB3 ASP 78 2HB ASP 78 -10.438 9.644 8.696 544 H ASP 79 H ASP 79 -8.057 8.645 7.220 545 HA ASP 79 HA ASP 79 -9.208 6.070 7.079 546 HB3 ASP 79 2HB ASP 79 -7.855 5.900 4.937 547 H LYS 80 H LYS 80 -8.070 4.047 6.651 548 HA LYS 80 HA LYS 80 -5.346 3.851 7.653 549 HB3 LYS 80 2HB LYS 80 -6.444 3.562 9.718 550 HG3 LYS 80 2HG LYS 80 -8.219 1.590 9.782 551 HD3 LYS 80 2HD LYS 80 -9.971 3.501 9.285 552 HE3 LYS 80 2HE LYS 80 -9.400 4.512 11.524 553 HZ1 LYS 80 3HZ LYS 80 -9.912 2.537 12.742 554 HZ2 LYS 80 1HZ LYS 80 -9.389 1.544 11.475 555 HZ3 LYS 80 2HZ LYS 80 -10.777 2.493 11.288 556 H ILE 81 H ILE 81 -4.215 2.190 6.761 557 HA ILE 81 HA ILE 81 -5.659 0.544 4.803 558 HB ILE 81 HB ILE 81 -2.712 1.181 4.989 559 HG13 ILE 81 2HG1 ILE 81 -5.004 2.362 3.520 560 HG21 ILE 81 1HG2 ILE 81 -3.112 0.189 2.493 561 HG22 ILE 81 2HG2 ILE 81 -2.511 -0.749 3.860 562 HG23 ILE 81 3HG2 ILE 81 -4.224 -0.800 3.441 563 HD11 ILE 81 3HD1 ILE 81 -3.105 3.345 5.239 564 HD12 ILE 81 1HD1 ILE 81 -2.525 3.864 3.656 565 HD13 ILE 81 2HD1 ILE 81 -4.151 4.299 4.188 566 H ASP 82 H ASP 82 -5.650 -1.637 4.894 567 HA ASP 82 HA ASP 82 -4.114 -2.889 7.077 568 HB3 ASP 82 2HB ASP 82 -5.958 -4.565 7.214 569 H LEU 83 H LEU 83 -3.010 -4.749 6.648 570 HA LEU 83 HA LEU 83 -3.144 -5.767 3.887 571 HB3 LEU 83 2HB LEU 83 -0.606 -5.921 5.436 572 HG LEU 83 HG LEU 83 0.520 -5.734 3.361 573 HD11 LEU 83 1HD1 LEU 83 -1.905 -7.478 2.959 574 HD12 LEU 83 2HD1 LEU 83 -0.438 -7.932 3.826 575 HD13 LEU 83 3HD1 LEU 83 -0.374 -7.610 2.094 576 HD21 LEU 83 3HD2 LEU 83 -0.273 -4.380 1.792 577 HD22 LEU 83 1HD2 LEU 83 -1.859 -4.342 2.561 578 HD23 LEU 83 2HD2 LEU 83 -1.475 -5.609 1.397 579 H PHE 84 H PHE 84 -3.899 -7.770 3.880 580 HA PHE 84 HA PHE 84 -3.220 -9.540 6.136 581 HB3 PHE 84 2HB PHE 84 -5.308 -10.796 5.502 582 HD1 PHE 84 2HD PHE 84 -4.602 -9.758 7.942 583 HD2 PHE 84 1HD PHE 84 -7.257 -8.023 5.103 584 HE1 PHE 84 2HE PHE 84 -5.706 -8.502 9.747 585 HE2 PHE 84 1HE PHE 84 -8.364 -6.763 6.903 586 HZ PHE 84 HZ PHE 84 -7.590 -7.003 9.228 587 HA PRO 85 HA PRO 85 -1.006 -12.028 3.241 588 HB3 PRO 85 2HB PRO 85 0.123 -12.856 5.062 589 HG3 PRO 85 2HG PRO 85 -0.937 -13.113 7.117 590 HD3 PRO 85 2HD PRO 85 -1.527 -10.937 6.634 591 HA PRO 86 HA PRO 86 -3.849 -14.567 1.048 592 HB3 PRO 86 2HB PRO 86 -2.213 -14.844 -0.542 593 HG3 PRO 86 2HG PRO 86 0.021 -15.070 0.062 594 HD3 PRO 86 2HD PRO 86 -0.529 -13.188 1.273 595 H VAL 87 H VAL 87 -5.077 -16.441 1.180 596 HA VAL 87 HA VAL 87 -5.358 -17.697 3.619 597 HB VAL 87 HB VAL 87 -6.606 -19.488 2.380 598 HG11 VAL 87 1HG1 VAL 87 -7.255 -16.834 2.824 599 HG12 VAL 87 2HG1 VAL 87 -7.747 -17.121 1.153 600 HG13 VAL 87 3HG1 VAL 87 -8.378 -18.140 2.448 601 HG21 VAL 87 3HG2 VAL 87 -5.210 -19.436 0.340 602 HG22 VAL 87 1HG2 VAL 87 -6.932 -19.271 -0.006 603 HG23 VAL 87 2HG2 VAL 87 -5.883 -17.854 -0.051 604 H ALA 88 H ALA 88 -3.245 -18.515 0.960 605 HA ALA 88 HA ALA 88 -2.519 -21.085 2.071 606 HB1 ALA 88 1HB ALA 88 -2.608 -20.626 -0.386 607 HB2 ALA 88 2HB ALA 88 -1.179 -19.609 -0.187 608 HB3 ALA 88 3HB ALA 88 -1.092 -21.333 0.176 609 H GLY 89 H GLY 89 -0.701 -18.096 1.333 610 HA2 GLY 89 2HA GLY 89 0.578 -17.136 3.240 611 HA3 GLY 89 3HA GLY 89 1.087 -18.783 3.584 612 H GLY 90 H GLY 90 3.109 -17.162 3.397 613 HA2 GLY 90 2HA GLY 90 4.040 -16.971 0.641 614 HA3 GLY 90 3HA GLY 90 4.854 -16.334 2.063 Start of MODEL 15 1 H1 MET 1 H MET 1 -2.887 12.955 7.807 2 HA MET 1 HA MET 1 -0.801 11.140 7.953 3 HB3 MET 1 2HB MET 1 -3.337 11.354 9.573 4 HG3 MET 1 2HG MET 1 -1.063 9.461 9.862 5 HE1 MET 1 3HE MET 1 -3.276 11.205 13.496 6 HE2 MET 1 1HE MET 1 -3.784 11.307 11.810 7 HE3 MET 1 2HE MET 1 -3.930 9.783 12.684 8 H VAL 2 H VAL 2 -0.496 9.175 7.148 9 HA VAL 2 HA VAL 2 -2.861 7.586 6.388 10 HB VAL 2 HB VAL 2 -1.382 6.531 4.651 11 HG11 VAL 2 1HG1 VAL 2 -1.479 8.541 3.113 12 HG12 VAL 2 2HG1 VAL 2 -2.994 8.082 3.893 13 HG13 VAL 2 3HG1 VAL 2 -2.069 9.456 4.502 14 HG21 VAL 2 3HG2 VAL 2 0.769 7.076 4.421 15 HG22 VAL 2 1HG2 VAL 2 0.412 8.802 4.472 16 HG23 VAL 2 2HG2 VAL 2 0.630 7.902 5.972 17 H THR 3 H THR 3 -3.022 5.596 7.215 18 HA THR 3 HA THR 3 -0.755 4.581 8.790 19 HB THR 3 HB THR 3 -3.543 3.495 9.019 20 HG1 THR 3 1HG THR 3 -3.384 5.919 9.254 21 HG21 THR 3 3HG2 THR 3 -2.443 3.620 11.512 22 HG22 THR 3 1HG2 THR 3 -1.019 3.356 10.508 23 HG23 THR 3 2HG2 THR 3 -2.364 2.216 10.447 24 H VAL 4 H VAL 4 0.173 2.669 8.329 25 HA VAL 4 HA VAL 4 -1.160 0.813 6.505 26 HB VAL 4 HB VAL 4 1.672 1.742 6.016 27 HG11 VAL 4 1HG1 VAL 4 -0.077 0.144 4.170 28 HG12 VAL 4 2HG1 VAL 4 1.674 0.356 4.126 29 HG13 VAL 4 3HG1 VAL 4 0.936 -0.626 5.391 30 HG21 VAL 4 3HG2 VAL 4 -0.878 2.463 4.575 31 HG22 VAL 4 1HG2 VAL 4 0.179 3.552 5.473 32 HG23 VAL 4 2HG2 VAL 4 0.744 2.809 3.976 33 H ARG 5 H ARG 5 -0.979 -1.200 7.231 34 HA ARG 5 HA ARG 5 1.194 -1.811 9.123 35 HB3 ARG 5 2HB ARG 5 -1.418 -3.297 8.889 36 HG3 ARG 5 2HG ARG 5 0.688 -3.150 11.025 37 HD3 ARG 5 2HD ARG 5 -1.778 -4.783 11.334 38 HE ARG 5 HE ARG 5 0.345 -4.395 12.962 39 HH11 ARG 5 1HH1 ARG 5 -3.036 -3.603 13.213 40 HH12 ARG 5 2HH1 ARG 5 -3.071 -3.734 14.940 41 HH21 ARG 5 1HH2 ARG 5 0.311 -4.570 15.236 42 HH22 ARG 5 2HH2 ARG 5 -1.167 -4.282 16.090 43 H TYR 6 H TYR 6 2.139 -3.922 9.041 44 HA TYR 6 HA TYR 6 1.803 -5.303 6.464 45 HB3 TYR 6 2HB TYR 6 4.202 -5.624 6.298 46 HD1 TYR 6 2HD TYR 6 2.227 -3.771 5.060 47 HD2 TYR 6 1HD TYR 6 5.766 -2.973 7.282 48 HE1 TYR 6 2HE TYR 6 2.458 -1.612 3.905 49 HE2 TYR 6 1HE TYR 6 6.007 -0.812 6.134 50 HH TYR 6 HH TYR 6 4.414 0.834 4.955 51 H TYR 7 H TYR 7 1.596 -7.455 6.585 52 HA TYR 7 HA TYR 7 1.715 -8.686 9.228 53 HB3 TYR 7 2HB TYR 7 0.805 -10.653 7.582 54 HD1 TYR 7 2HD TYR 7 -0.789 -7.361 8.383 55 HD2 TYR 7 1HD TYR 7 -0.737 -11.567 9.023 56 HE1 TYR 7 2HE TYR 7 -2.726 -7.151 9.884 57 HE2 TYR 7 1HE TYR 7 -2.673 -11.369 10.526 58 HH TYR 7 HH TYR 7 -4.073 -9.980 11.552 59 H ALA 8 H ALA 8 2.298 -11.212 8.931 60 HA ALA 8 HA ALA 8 5.047 -11.384 8.767 61 HB1 ALA 8 1HB ALA 8 4.346 -13.931 8.191 62 HB2 ALA 8 2HB ALA 8 4.303 -13.232 9.811 63 HB3 ALA 8 3HB ALA 8 2.829 -13.313 8.845 64 H THR 9 H THR 9 2.676 -11.593 6.220 65 HA THR 9 HA THR 9 4.305 -12.797 4.247 66 HB THR 9 HB THR 9 2.627 -11.402 2.710 67 HG1 THR 9 1HG THR 9 1.081 -10.465 3.806 68 HG21 THR 9 3HG2 THR 9 1.274 -13.298 2.629 69 HG22 THR 9 1HG2 THR 9 1.464 -13.628 4.349 70 HG23 THR 9 2HG2 THR 9 2.802 -13.930 3.240 71 H LEU 10 H LEU 10 3.872 -9.483 5.308 72 HA LEU 10 HA LEU 10 5.658 -8.531 3.188 73 HB3 LEU 10 2HB LEU 10 5.034 -6.262 4.227 74 HG LEU 10 HG LEU 10 2.907 -7.902 2.859 75 HD11 LEU 10 1HD1 LEU 10 1.950 -6.055 4.227 76 HD12 LEU 10 2HD1 LEU 10 1.680 -5.884 2.492 77 HD13 LEU 10 3HD1 LEU 10 2.924 -4.922 3.291 78 HD21 LEU 10 3HD2 LEU 10 4.617 -7.600 1.330 79 HD22 LEU 10 1HD2 LEU 10 5.050 -6.014 1.969 80 HD23 LEU 10 2HD2 LEU 10 3.580 -6.208 1.014 81 H ARG 11 H ARG 11 5.826 -9.645 6.311 82 HA ARG 11 HA ARG 11 7.499 -7.948 7.689 83 HB3 ARG 11 2HB ARG 11 8.438 -10.609 8.102 84 HG3 ARG 11 2HG ARG 11 8.202 -9.032 9.909 85 HD3 ARG 11 2HD ARG 11 5.579 -8.676 8.793 86 HE ARG 11 HE ARG 11 4.389 -9.661 10.483 87 HH11 ARG 11 1HH1 ARG 11 7.143 -8.015 11.833 88 HH12 ARG 11 2HH1 ARG 11 6.639 -8.244 13.475 89 HH21 ARG 11 1HH2 ARG 11 3.715 -9.970 12.640 90 HH22 ARG 11 2HH2 ARG 11 4.690 -9.357 13.933 91 HA PRO 12 HA PRO 12 11.365 -10.001 5.655 92 HB3 PRO 12 2HB PRO 12 10.980 -12.229 5.245 93 HG3 PRO 12 2HG PRO 12 8.872 -12.987 4.620 94 HD3 PRO 12 2HD PRO 12 8.310 -11.728 6.467 95 H ILE 13 H ILE 13 9.854 -7.701 4.893 96 HA ILE 13 HA ILE 13 11.039 -7.236 2.266 97 HB ILE 13 HB ILE 13 8.206 -6.361 2.783 98 HG13 ILE 13 2HG1 ILE 13 8.199 -8.792 2.831 99 HG21 ILE 13 1HG2 ILE 13 9.673 -5.212 1.074 100 HG22 ILE 13 2HG2 ILE 13 9.648 -6.725 0.170 101 HG23 ILE 13 3HG2 ILE 13 8.145 -5.855 0.475 102 HD11 ILE 13 3HD1 ILE 13 6.471 -9.073 1.451 103 HD12 ILE 13 1HD1 ILE 13 6.664 -7.354 1.110 104 HD13 ILE 13 2HD1 ILE 13 7.388 -8.552 0.038 105 H THR 14 H THR 14 9.333 -5.886 5.056 106 HA THR 14 HA THR 14 10.665 -3.308 4.584 107 HB THR 14 HB THR 14 8.519 -3.685 6.642 108 HG1 THR 14 1HG THR 14 7.638 -4.542 4.727 109 HG21 THR 14 3HG2 THR 14 9.728 -1.445 5.097 110 HG22 THR 14 1HG2 THR 14 9.296 -1.532 6.803 111 HG23 THR 14 2HG2 THR 14 8.039 -1.308 5.586 112 H LYS 15 H LYS 15 10.614 -6.049 6.639 113 HA LYS 15 HA LYS 15 11.541 -6.498 8.694 114 HB3 LYS 15 2HB LYS 15 13.449 -6.553 7.127 115 HG3 LYS 15 2HG LYS 15 13.686 -3.662 7.873 116 HD3 LYS 15 2HD LYS 15 15.826 -5.082 8.292 117 HE3 LYS 15 2HE LYS 15 15.495 -5.189 5.330 118 HZ1 LYS 15 3HZ LYS 15 17.506 -4.105 5.282 119 HZ2 LYS 15 1HZ LYS 15 18.009 -5.717 5.393 120 HZ3 LYS 15 2HZ LYS 15 18.020 -4.732 6.768 121 H LYS 16 H LYS 16 9.825 -4.274 8.850 122 HA LYS 16 HA LYS 16 11.017 -2.915 11.138 123 HB3 LYS 16 2HB LYS 16 9.884 -0.748 10.180 124 HG3 LYS 16 2HG LYS 16 11.997 -0.300 8.763 125 HD3 LYS 16 2HD LYS 16 11.452 0.026 11.381 126 HE3 LYS 16 2HE LYS 16 12.900 -2.316 11.422 127 HZ1 LYS 16 3HZ LYS 16 15.036 -1.858 12.208 128 HZ2 LYS 16 1HZ LYS 16 14.727 -0.205 12.394 129 HZ3 LYS 16 2HZ LYS 16 14.881 -0.867 10.845 130 H LYS 17 H LYS 17 9.165 -1.285 11.984 131 HA LYS 17 HA LYS 17 6.849 -3.012 12.414 132 HB3 LYS 17 2HB LYS 17 8.096 -2.036 14.350 133 HG3 LYS 17 2HG LYS 17 6.905 0.550 13.369 134 HD3 LYS 17 2HD LYS 17 6.695 0.139 15.846 135 HE3 LYS 17 2HE LYS 17 9.703 0.357 15.753 136 HZ1 LYS 17 3HZ LYS 17 7.761 0.662 17.834 137 HZ2 LYS 17 1HZ LYS 17 9.409 1.042 17.834 138 HZ3 LYS 17 2HZ LYS 17 8.904 -0.530 18.199 139 H GLU 18 H GLU 18 4.920 -1.193 13.111 140 HA GLU 18 HA GLU 18 4.351 0.090 10.525 141 HB3 GLU 18 2HB GLU 18 2.542 -1.048 12.650 142 HG3 GLU 18 2HG GLU 18 0.813 -0.407 10.717 143 H GLU 19 H GLU 19 3.649 2.198 10.425 144 HA GLU 19 HA GLU 19 3.172 3.719 12.833 145 HB3 GLU 19 2HB GLU 19 4.971 5.423 12.068 146 HG3 GLU 19 2HG GLU 19 6.685 4.453 13.414 147 H THR 20 H THR 20 2.595 5.991 12.338 148 HA THR 20 HA THR 20 1.272 6.139 9.715 149 HB THR 20 HB THR 20 -0.091 7.984 10.854 150 HG1 THR 20 1HG THR 20 0.829 6.710 13.223 151 HG21 THR 20 3HG2 THR 20 -1.566 6.343 11.985 152 HG22 THR 20 1HG2 THR 20 -0.294 5.131 11.826 153 HG23 THR 20 2HG2 THR 20 -1.050 5.811 10.384 154 H PHE 21 H PHE 21 1.690 7.771 8.329 155 HA PHE 21 HA PHE 21 3.405 9.973 9.253 156 HB3 PHE 21 2HB PHE 21 3.735 8.674 6.552 157 HD1 PHE 21 1HD PHE 21 5.532 10.435 9.313 158 HD2 PHE 21 2HD PHE 21 5.011 9.919 5.120 159 HE1 PHE 21 1HE PHE 21 7.199 12.194 8.893 160 HE2 PHE 21 2HE PHE 21 6.678 11.677 4.693 161 HZ PHE 21 HZ PHE 21 7.774 12.819 6.580 162 H ASN 22 H ASN 22 3.047 11.965 8.312 163 HA ASN 22 HA ASN 22 0.505 12.215 6.898 164 HB3 ASN 22 2HB ASN 22 1.047 13.590 8.956 165 HD21 ASN 22 1HD2 ASN 22 3.020 13.968 9.790 166 HD22 ASN 22 2HD2 ASN 22 4.136 15.131 9.166 167 H GLY 23 H GLY 23 0.338 13.782 5.107 168 HA2 GLY 23 2HA GLY 23 1.866 15.118 3.550 169 HA3 GLY 23 3HA GLY 23 2.724 13.593 3.386 170 H ILE 24 H ILE 24 1.802 11.912 2.197 171 HA ILE 24 HA ILE 24 0.192 12.709 0.015 172 HB ILE 24 HB ILE 24 0.899 9.930 0.961 173 HG13 ILE 24 2HG1 ILE 24 2.580 10.036 -0.858 174 HG21 ILE 24 1HG2 ILE 24 -0.871 9.498 -0.431 175 HG22 ILE 24 2HG2 ILE 24 -0.587 10.932 -1.416 176 HG23 ILE 24 3HG2 ILE 24 0.456 9.521 -1.592 177 HD11 ILE 24 3HD1 ILE 24 1.209 12.188 -1.818 178 HD12 ILE 24 1HD1 ILE 24 2.588 12.946 -1.021 179 HD13 ILE 24 2HD1 ILE 24 2.851 11.733 -2.274 180 H SER 25 H SER 25 -1.949 12.549 -0.368 181 HA SER 25 HA SER 25 -3.616 11.260 1.690 182 HB3 SER 25 2HB SER 25 -3.925 13.572 2.087 183 HG SER 25 HG SER 25 -3.598 14.991 0.582 184 H LYS 26 H LYS 26 -2.659 10.173 -0.814 185 HA LYS 26 HA LYS 26 -5.228 9.402 -1.923 186 HB3 LYS 26 2HB LYS 26 -3.157 10.154 -3.933 187 HG3 LYS 26 2HG LYS 26 -6.127 9.925 -3.860 188 HD3 LYS 26 2HD LYS 26 -6.037 10.985 -6.190 189 HE3 LYS 26 2HE LYS 26 -5.822 12.523 -3.623 190 HZ1 LYS 26 3HZ LYS 26 -7.008 14.049 -5.670 191 HZ2 LYS 26 1HZ LYS 26 -5.440 13.626 -6.146 192 HZ3 LYS 26 2HZ LYS 26 -5.690 14.444 -4.687 193 H ILE 27 H ILE 27 -5.148 7.449 -3.139 194 HA ILE 27 HA ILE 27 -3.168 5.619 -2.210 195 HB ILE 27 HB ILE 27 -5.355 5.282 -4.265 196 HG13 ILE 27 2HG1 ILE 27 -6.546 4.122 -2.501 197 HG21 ILE 27 1HG2 ILE 27 -3.632 3.683 -4.744 198 HG22 ILE 27 2HG2 ILE 27 -3.507 3.241 -3.042 199 HG23 ILE 27 3HG2 ILE 27 -4.965 2.846 -3.950 200 HD11 ILE 27 3HD1 ILE 27 -5.481 3.158 -0.823 201 HD12 ILE 27 1HD1 ILE 27 -3.985 4.004 -1.219 202 HD13 ILE 27 2HD1 ILE 27 -5.173 4.762 -0.159 203 H SER 28 H SER 28 -3.567 7.534 -5.070 204 HA SER 28 HA SER 28 -1.945 6.070 -6.843 205 HB3 SER 28 2HB SER 28 -2.027 9.062 -6.954 206 HG SER 28 HG SER 28 -2.569 8.370 -9.203 207 H GLU 29 H GLU 29 -1.150 8.899 -4.823 208 HA GLU 29 HA GLU 29 1.646 8.726 -5.405 209 HB3 GLU 29 2HB GLU 29 1.736 10.363 -3.384 210 HG3 GLU 29 2HG GLU 29 1.910 11.148 -5.681 211 H LEU 30 H LEU 30 -0.466 7.483 -2.927 212 HA LEU 30 HA LEU 30 1.517 6.835 -1.013 213 HB3 LEU 30 2HB LEU 30 -1.148 5.503 -1.474 214 HG LEU 30 HG LEU 30 -1.118 5.321 1.073 215 HD11 LEU 30 1HD1 LEU 30 -0.322 3.145 0.961 216 HD12 LEU 30 2HD1 LEU 30 0.913 3.549 -0.231 217 HD13 LEU 30 3HD1 LEU 30 -0.784 3.485 -0.707 218 HD21 LEU 30 3HD2 LEU 30 1.032 5.197 2.144 219 HD22 LEU 30 1HD2 LEU 30 0.868 6.776 1.375 220 HD23 LEU 30 2HD2 LEU 30 1.857 5.526 0.620 221 H LEU 31 H LEU 31 -0.105 4.874 -3.502 222 HA LEU 31 HA LEU 31 1.415 2.533 -2.984 223 HB3 LEU 31 2HB LEU 31 0.593 2.042 -5.440 224 HG LEU 31 HG LEU 31 -1.434 2.309 -3.221 225 HD11 LEU 31 1HD1 LEU 31 -2.531 0.438 -4.523 226 HD12 LEU 31 2HD1 LEU 31 -1.457 0.863 -5.855 227 HD13 LEU 31 3HD1 LEU 31 -2.614 2.046 -5.244 228 HD21 LEU 31 3HD2 LEU 31 -0.672 -0.361 -3.624 229 HD22 LEU 31 1HD2 LEU 31 -0.341 0.657 -2.222 230 HD23 LEU 31 2HD2 LEU 31 0.824 0.571 -3.544 231 H GLU 32 H GLU 32 1.719 5.176 -5.313 232 HA GLU 32 HA GLU 32 3.837 4.090 -6.814 233 HB3 GLU 32 2HB GLU 32 4.289 6.687 -7.157 234 HG3 GLU 32 2HG GLU 32 2.088 6.717 -8.592 235 H ARG 33 H ARG 33 3.785 6.103 -3.912 236 HA ARG 33 HA ARG 33 6.653 6.339 -3.813 237 HB3 ARG 33 2HB ARG 33 4.537 7.014 -1.762 238 HG3 ARG 33 2HG ARG 33 7.462 7.704 -1.848 239 HD3 ARG 33 2HD ARG 33 5.315 8.807 -0.040 240 HE ARG 33 HE ARG 33 7.941 8.614 0.570 241 HH11 ARG 33 1HH1 ARG 33 5.855 11.295 -0.193 242 HH12 ARG 33 2HH1 ARG 33 6.734 12.425 0.783 243 HH21 ARG 33 1HH2 ARG 33 9.107 10.093 1.859 244 HH22 ARG 33 2HH2 ARG 33 8.583 11.740 1.949 245 H LEU 34 H LEU 34 4.217 4.239 -2.473 246 HA LEU 34 HA LEU 34 5.881 3.082 -0.458 247 HB3 LEU 34 2HB LEU 34 3.299 2.190 -1.723 248 HG LEU 34 HG LEU 34 4.457 0.213 -0.761 249 HD11 LEU 34 1HD1 LEU 34 4.493 0.194 1.796 250 HD12 LEU 34 2HD1 LEU 34 4.448 1.953 1.683 251 HD13 LEU 34 3HD1 LEU 34 5.787 1.058 0.964 252 HD21 LEU 34 3HD2 LEU 34 1.914 1.278 0.407 253 HD22 LEU 34 1HD2 LEU 34 2.550 -0.289 0.911 254 HD23 LEU 34 2HD2 LEU 34 2.148 -0.004 -0.784 255 H LYS 35 H LYS 35 4.714 1.926 -3.620 256 HA LYS 35 HA LYS 35 6.034 -0.507 -3.685 257 HB3 LYS 35 2HB LYS 35 4.360 0.156 -5.344 258 HG3 LYS 35 2HG LYS 35 5.602 2.514 -5.607 259 HD3 LYS 35 2HD LYS 35 7.406 1.070 -6.914 260 HE3 LYS 35 2HE LYS 35 5.667 0.214 -8.504 261 HZ1 LYS 35 3HZ LYS 35 4.314 1.657 -9.468 262 HZ2 LYS 35 1HZ LYS 35 5.628 2.345 -10.281 263 HZ3 LYS 35 2HZ LYS 35 5.137 2.968 -8.787 264 H VAL 36 H VAL 36 7.218 2.703 -4.563 265 HA VAL 36 HA VAL 36 9.761 1.745 -5.484 266 HB VAL 36 HB VAL 36 8.808 3.839 -6.347 267 HG11 VAL 36 1HG1 VAL 36 9.365 4.992 -3.618 268 HG12 VAL 36 2HG1 VAL 36 8.672 5.828 -5.009 269 HG13 VAL 36 3HG1 VAL 36 7.762 4.549 -4.204 270 HG21 VAL 36 3HG2 VAL 36 10.874 4.549 -6.779 271 HG22 VAL 36 1HG2 VAL 36 11.138 5.012 -5.098 272 HG23 VAL 36 2HG2 VAL 36 11.446 3.354 -5.615 273 H GLU 37 H GLU 37 8.477 3.037 -2.480 274 HA GLU 37 HA GLU 37 10.781 3.644 -1.099 275 HB3 GLU 37 2HB GLU 37 8.259 2.346 -0.057 276 HG3 GLU 37 2HG GLU 37 9.810 2.077 1.689 277 H TYR 38 H TYR 38 9.165 0.479 -1.286 278 HA TYR 38 HA TYR 38 11.485 -0.778 -0.034 279 HB3 TYR 38 2HB TYR 38 10.114 -2.756 0.165 280 HD1 TYR 38 2HD TYR 38 10.658 -0.320 1.859 281 HD2 TYR 38 1HD TYR 38 7.014 -2.077 0.544 282 HE1 TYR 38 2HE TYR 38 9.506 0.617 3.820 283 HE2 TYR 38 1HE TYR 38 5.852 -1.145 2.500 284 HH TYR 38 HH TYR 38 7.590 0.793 4.919 285 H GLY 39 H GLY 39 9.701 -0.745 -3.075 286 HA2 GLY 39 2HA GLY 39 11.220 -0.962 -5.058 287 HA3 GLY 39 3HA GLY 39 11.845 -2.398 -4.261 288 H SER 40 H SER 40 11.181 -3.139 -6.543 289 HA SER 40 HA SER 40 8.452 -3.492 -7.168 290 HB3 SER 40 2HB SER 40 10.255 -3.650 -8.849 291 HG SER 40 HG SER 40 11.889 -4.853 -8.326 292 H GLU 41 H GLU 41 10.704 -5.332 -5.237 293 HA GLU 41 HA GLU 41 9.510 -7.807 -5.109 294 HB3 GLU 41 2HB GLU 41 10.498 -8.032 -2.877 295 HG3 GLU 41 2HG GLU 41 12.804 -7.470 -3.334 296 H PHE 42 H PHE 42 8.644 -4.872 -3.339 297 HA PHE 42 HA PHE 42 6.574 -6.141 -1.822 298 HB3 PHE 42 2HB PHE 42 7.257 -3.238 -2.306 299 HD1 PHE 42 2HD PHE 42 5.008 -2.407 -2.702 300 HD2 PHE 42 1HD PHE 42 5.953 -4.650 0.791 301 HE1 PHE 42 2HE PHE 42 2.908 -1.663 -1.659 302 HE2 PHE 42 1HE PHE 42 3.854 -3.909 1.838 303 HZ PHE 42 HZ PHE 42 2.329 -2.412 0.614 304 H THR 43 H THR 43 6.667 -4.058 -4.686 305 HA THR 43 HA THR 43 3.921 -3.736 -5.057 306 HB THR 43 HB THR 43 5.541 -4.049 -7.514 307 HG1 THR 43 1HG THR 43 6.840 -2.301 -7.072 308 HG21 THR 43 3HG2 THR 43 4.423 -1.448 -7.059 309 HG22 THR 43 1HG2 THR 43 3.222 -2.682 -6.678 310 HG23 THR 43 2HG2 THR 43 3.980 -2.651 -8.270 311 H LYS 44 H LYS 44 6.089 -6.319 -6.115 312 HA LYS 44 HA LYS 44 4.089 -7.696 -7.628 313 HB3 LYS 44 2HB LYS 44 5.740 -9.515 -7.742 314 HG3 LYS 44 2HG LYS 44 7.807 -7.964 -8.381 315 HD3 LYS 44 2HD LYS 44 6.493 -7.453 -10.551 316 HE3 LYS 44 2HE LYS 44 6.504 -10.347 -9.755 317 HZ1 LYS 44 3HZ LYS 44 6.842 -10.755 -11.951 318 HZ2 LYS 44 1HZ LYS 44 7.638 -9.288 -12.236 319 HZ3 LYS 44 2HZ LYS 44 5.953 -9.323 -12.094 320 H GLN 45 H GLN 45 5.083 -7.661 -4.308 321 HA GLN 45 HA GLN 45 3.949 -10.179 -3.586 322 HB3 GLN 45 2HB GLN 45 4.375 -7.900 -1.674 323 HG3 GLN 45 2HG GLN 45 5.325 -9.816 -0.297 324 HE21 GLN 45 1HE2 GLN 45 3.174 -11.754 0.045 325 HE22 GLN 45 2HE2 GLN 45 1.829 -10.871 0.676 326 H MET 46 H MET 46 2.760 -6.909 -3.833 327 HA MET 46 HA MET 46 0.153 -7.795 -2.787 328 HB3 MET 46 2HB MET 46 1.124 -4.950 -3.087 329 HG3 MET 46 2HG MET 46 -0.754 -5.331 -0.991 330 HE1 MET 46 3HE MET 46 -3.189 -3.158 -3.725 331 HE2 MET 46 1HE MET 46 -2.197 -4.251 -4.690 332 HE3 MET 46 2HE MET 46 -3.078 -4.865 -3.291 333 H TYR 47 H TYR 47 1.646 -7.576 -5.607 334 HA TYR 47 HA TYR 47 -0.657 -7.578 -7.179 335 HB3 TYR 47 2HB TYR 47 0.689 -5.113 -8.002 336 HD1 TYR 47 2HD TYR 47 -2.499 -6.437 -6.558 337 HD2 TYR 47 1HD TYR 47 -0.637 -4.128 -9.608 338 HE1 TYR 47 2HE TYR 47 -4.690 -6.082 -7.618 339 HE2 TYR 47 1HE TYR 47 -2.822 -3.765 -10.677 340 HH TYR 47 HH TYR 47 -5.810 -4.850 -9.163 341 H ASP 48 H ASP 48 0.320 -9.270 -8.212 342 HA ASP 48 HA ASP 48 2.868 -8.762 -9.578 343 HB3 ASP 48 2HB ASP 48 1.401 -11.322 -8.932 344 H GLY 49 H GLY 49 2.121 -7.548 -11.327 345 HA2 GLY 49 2HA GLY 49 1.666 -7.569 -13.627 346 HA3 GLY 49 3HA GLY 49 0.914 -9.146 -13.441 347 H ASN 50 H ASN 50 -1.232 -9.235 -12.498 348 HA ASN 50 HA ASN 50 -2.722 -6.713 -12.788 349 HB3 ASN 50 2HB ASN 50 -4.176 -9.192 -13.463 350 HD21 ASN 50 1HD2 ASN 50 -2.934 -6.376 -15.220 351 HD22 ASN 50 2HD2 ASN 50 -4.485 -5.707 -15.586 352 H ASN 51 H ASN 51 -2.556 -9.911 -11.315 353 HA ASN 51 HA ASN 51 -4.222 -8.897 -9.111 354 HB3 ASN 51 2HB ASN 51 -5.332 -10.612 -10.713 355 HD21 ASN 51 1HD2 ASN 51 -3.424 -11.710 -11.740 356 HD22 ASN 51 2HD2 ASN 51 -3.068 -13.315 -11.208 357 H LEU 52 H LEU 52 -3.901 -10.118 -7.068 358 HA LEU 52 HA LEU 52 -1.277 -10.112 -6.235 359 HB3 LEU 52 2HB LEU 52 -2.015 -11.326 -4.269 360 HG LEU 52 HG LEU 52 -3.419 -9.801 -3.372 361 HD11 LEU 52 1HD1 LEU 52 -3.132 -7.701 -4.337 362 HD12 LEU 52 2HD1 LEU 52 -3.178 -8.343 -5.980 363 HD13 LEU 52 3HD1 LEU 52 -1.772 -8.637 -4.957 364 HD21 LEU 52 3HD2 LEU 52 -5.555 -10.041 -3.942 365 HD22 LEU 52 1HD2 LEU 52 -5.128 -10.642 -5.544 366 HD23 LEU 52 2HD2 LEU 52 -5.255 -8.906 -5.260 367 H PHE 53 H PHE 53 0.087 -11.905 -5.491 368 HA PHE 53 HA PHE 53 0.387 -13.867 -7.567 369 HB3 PHE 53 2HB PHE 53 1.915 -13.332 -5.018 370 HD1 PHE 53 1HD PHE 53 3.005 -14.745 -8.251 371 HD2 PHE 53 2HD PHE 53 2.401 -15.444 -4.096 372 HE1 PHE 53 1HE PHE 53 4.220 -16.876 -8.436 373 HE2 PHE 53 2HE PHE 53 3.616 -17.575 -4.275 374 HZ PHE 53 HZ PHE 53 4.528 -18.294 -6.446 375 H LYS 54 H LYS 54 0.206 -14.234 -4.024 376 HA LYS 54 HA LYS 54 -0.757 -16.955 -4.348 377 HB3 LYS 54 2HB LYS 54 -0.109 -15.338 -1.876 378 HG3 LYS 54 2HG LYS 54 -1.766 -17.194 -1.490 379 HD3 LYS 54 2HD LYS 54 -0.769 -18.752 -3.169 380 HE3 LYS 54 2HE LYS 54 1.464 -18.661 -1.191 381 HZ1 LYS 54 3HZ LYS 54 1.153 -20.966 -3.007 382 HZ2 LYS 54 1HZ LYS 54 0.533 -21.018 -1.433 383 HZ3 LYS 54 2HZ LYS 54 2.190 -20.790 -1.682 384 H ASN 55 H ASN 55 -1.852 -14.039 -2.603 385 HA ASN 55 HA ASN 55 -4.409 -13.861 -3.443 386 HB3 ASN 55 2HB ASN 55 -5.310 -15.199 -1.179 387 HD21 ASN 55 1HD2 ASN 55 -5.499 -17.831 -2.486 388 HD22 ASN 55 2HD2 ASN 55 -6.593 -17.613 -3.806 389 H VAL 56 H VAL 56 -2.548 -12.146 -2.428 390 HA VAL 56 HA VAL 56 -2.912 -11.461 0.291 391 HB VAL 56 HB VAL 56 -2.132 -9.520 -1.876 392 HG11 VAL 56 1HG1 VAL 56 -1.289 -9.737 1.012 393 HG12 VAL 56 2HG1 VAL 56 -0.851 -8.459 -0.124 394 HG13 VAL 56 3HG1 VAL 56 -2.526 -8.639 0.398 395 HG21 VAL 56 3HG2 VAL 56 -0.571 -11.074 -2.406 396 HG22 VAL 56 1HG2 VAL 56 0.243 -10.394 -0.996 397 HG23 VAL 56 2HG2 VAL 56 -0.689 -11.884 -0.844 398 H ILE 57 H ILE 57 -4.311 -10.104 1.297 399 HA ILE 57 HA ILE 57 -6.332 -8.753 -0.363 400 HB ILE 57 HB ILE 57 -6.860 -10.214 2.228 401 HG13 ILE 57 2HG1 ILE 57 -6.536 -11.426 -0.121 402 HG21 ILE 57 1HG2 ILE 57 -8.495 -8.685 2.399 403 HG22 ILE 57 2HG2 ILE 57 -8.375 -8.219 0.703 404 HG23 ILE 57 3HG2 ILE 57 -9.290 -9.656 1.160 405 HD11 ILE 57 3HD1 ILE 57 -7.588 -12.242 2.203 406 HD12 ILE 57 1HD1 ILE 57 -9.014 -12.347 1.171 407 HD13 ILE 57 2HD1 ILE 57 -7.551 -13.235 0.746 408 H ILE 58 H ILE 58 -5.904 -6.653 -0.127 409 HA ILE 58 HA ILE 58 -5.501 -5.626 2.607 410 HB ILE 58 HB ILE 58 -3.433 -5.220 1.632 411 HG13 ILE 58 2HG1 ILE 58 -4.596 -3.149 2.516 412 HG21 ILE 58 1HG2 ILE 58 -4.877 -4.495 -0.912 413 HG22 ILE 58 2HG2 ILE 58 -3.134 -4.382 -0.674 414 HG23 ILE 58 3HG2 ILE 58 -3.933 -5.953 -0.611 415 HD11 ILE 58 3HD1 ILE 58 -3.043 -1.531 1.171 416 HD12 ILE 58 1HD1 ILE 58 -2.369 -2.701 2.306 417 HD13 ILE 58 2HD1 ILE 58 -2.351 -3.040 0.575 418 H LEU 59 H LEU 59 -6.789 -4.000 3.261 419 HA LEU 59 HA LEU 59 -8.647 -2.868 1.275 420 HB3 LEU 59 2HB LEU 59 -10.103 -2.448 3.329 421 HG LEU 59 HG LEU 59 -9.647 -5.137 2.148 422 HD11 LEU 59 1HD1 LEU 59 -9.976 -5.377 4.674 423 HD12 LEU 59 2HD1 LEU 59 -11.060 -6.277 3.616 424 HD13 LEU 59 3HD1 LEU 59 -11.613 -4.790 4.385 425 HD21 LEU 59 3HD2 LEU 59 -12.241 -3.691 2.532 426 HD22 LEU 59 1HD2 LEU 59 -11.779 -4.843 1.279 427 HD23 LEU 59 2HD2 LEU 59 -11.116 -3.209 1.261 428 H VAL 60 H VAL 60 -9.325 -0.664 1.592 429 HA VAL 60 HA VAL 60 -7.356 0.948 3.082 430 HB VAL 60 HB VAL 60 -8.716 1.682 0.484 431 HG11 VAL 60 1HG1 VAL 60 -7.500 3.285 2.509 432 HG12 VAL 60 2HG1 VAL 60 -6.507 3.346 1.051 433 HG13 VAL 60 3HG1 VAL 60 -8.213 3.787 0.976 434 HG21 VAL 60 3HG2 VAL 60 -6.539 1.461 -0.541 435 HG22 VAL 60 1HG2 VAL 60 -5.815 1.045 1.013 436 HG23 VAL 60 2HG2 VAL 60 -6.968 -0.054 0.253 437 H ASN 61 H ASN 61 -8.157 2.273 4.575 438 HA ASN 61 HA ASN 61 -9.637 3.382 5.901 439 HB3 ASN 61 2HB ASN 61 -11.185 3.848 3.346 440 HD21 ASN 61 1HD2 ASN 61 -12.289 5.883 3.348 441 HD22 ASN 61 2HD2 ASN 61 -12.868 6.549 4.834 442 H GLY 62 H GLY 62 -10.055 0.503 5.319 443 HA2 GLY 62 2HA GLY 62 -11.541 -1.099 6.042 444 HA3 GLY 62 3HA GLY 62 -12.527 0.200 6.699 445 H ASN 63 H ASN 63 -11.572 -0.179 3.325 446 HA ASN 63 HA ASN 63 -13.885 -1.455 2.396 447 HB3 ASN 63 2HB ASN 63 -14.569 0.963 1.257 448 HD21 ASN 63 1HD2 ASN 63 -16.262 1.917 3.439 449 HD22 ASN 63 2HD2 ASN 63 -17.478 0.709 3.657 450 H ASN 64 H ASN 64 -13.327 -2.256 0.486 451 HA ASN 64 HA ASN 64 -10.957 -1.737 -0.826 452 HB3 ASN 64 2HB ASN 64 -12.034 -3.748 -1.392 453 HD21 ASN 64 1HD2 ASN 64 -13.882 -4.007 -0.081 454 HD22 ASN 64 2HD2 ASN 64 -15.469 -3.789 -0.728 455 H ILE 65 H ILE 65 -10.234 -0.176 -2.119 456 HA ILE 65 HA ILE 65 -11.598 2.203 -2.564 457 HB ILE 65 HB ILE 65 -9.860 2.729 -4.236 458 HG13 ILE 65 2HG1 ILE 65 -9.650 0.531 -5.279 459 HG21 ILE 65 1HG2 ILE 65 -8.416 1.379 -2.007 460 HG22 ILE 65 2HG2 ILE 65 -8.188 2.990 -2.687 461 HG23 ILE 65 3HG2 ILE 65 -9.562 2.665 -1.631 462 HD11 ILE 65 3HD1 ILE 65 -6.968 0.380 -4.413 463 HD12 ILE 65 1HD1 ILE 65 -7.603 1.060 -5.911 464 HD13 ILE 65 2HD1 ILE 65 -7.413 2.085 -4.487 465 H THR 66 H THR 66 -11.659 -0.766 -4.348 466 HA THR 66 HA THR 66 -12.513 0.127 -6.852 467 HB THR 66 HB THR 66 -13.386 -2.095 -7.229 468 HG1 THR 66 1HG THR 66 -14.083 -3.325 -5.635 469 HG21 THR 66 3HG2 THR 66 -11.353 -3.050 -7.264 470 HG22 THR 66 1HG2 THR 66 -11.161 -2.918 -5.517 471 HG23 THR 66 2HG2 THR 66 -10.787 -1.539 -6.551 472 H SER 67 H SER 67 -14.209 -0.121 -3.834 473 HA SER 67 HA SER 67 -16.842 -0.320 -4.563 474 HB3 SER 67 2HB SER 67 -15.966 1.698 -2.504 475 HG SER 67 HG SER 67 -17.799 0.892 -1.447 476 H MET 68 H MET 68 -14.846 2.614 -4.547 477 HA MET 68 HA MET 68 -16.910 3.916 -6.200 478 HB3 MET 68 2HB MET 68 -16.996 5.407 -4.514 479 HG3 MET 68 2HG MET 68 -14.243 4.584 -3.619 480 HE1 MET 68 3HE MET 68 -13.621 6.860 -3.832 481 HE2 MET 68 1HE MET 68 -14.825 8.132 -3.620 482 HE3 MET 68 2HE MET 68 -13.585 7.878 -2.391 483 H LYS 69 H LYS 69 -13.555 4.763 -5.392 484 HA LYS 69 HA LYS 69 -12.922 4.656 -8.268 485 HB3 LYS 69 2HB LYS 69 -11.211 6.525 -7.553 486 HG3 LYS 69 2HG LYS 69 -14.119 6.875 -8.132 487 HD3 LYS 69 2HD LYS 69 -13.521 9.322 -8.508 488 HE3 LYS 69 2HE LYS 69 -13.426 8.587 -5.602 489 HZ1 LYS 69 3HZ LYS 69 -14.180 10.871 -7.151 490 HZ2 LYS 69 1HZ LYS 69 -13.869 10.749 -5.492 491 HZ3 LYS 69 2HZ LYS 69 -15.409 10.390 -6.092 492 H GLY 70 H GLY 70 -11.132 3.560 -8.835 493 HA2 GLY 70 2HA GLY 70 -9.856 1.836 -7.033 494 HA3 GLY 70 3HA GLY 70 -9.274 2.225 -8.645 495 H LEU 71 H LEU 71 -7.577 3.600 -8.891 496 HA LEU 71 HA LEU 71 -5.998 4.145 -6.561 497 HB3 LEU 71 2HB LEU 71 -5.378 5.313 -9.234 498 HG LEU 71 HG LEU 71 -3.784 5.393 -7.193 499 HD11 LEU 71 1HD1 LEU 71 -2.371 3.473 -6.901 500 HD12 LEU 71 2HD1 LEU 71 -3.231 2.594 -8.166 501 HD13 LEU 71 3HD1 LEU 71 -4.049 2.988 -6.654 502 HD21 LEU 71 3HD2 LEU 71 -1.857 5.242 -8.664 503 HD22 LEU 71 1HD2 LEU 71 -3.197 6.041 -9.486 504 HD23 LEU 71 2HD2 LEU 71 -2.813 4.360 -9.857 505 H ASP 72 H ASP 72 -8.406 5.826 -8.270 506 HA ASP 72 HA ASP 72 -7.499 8.486 -7.705 507 HB3 ASP 72 2HB ASP 72 -10.162 8.781 -8.159 508 H THR 73 H THR 73 -8.712 6.071 -5.779 509 HA THR 73 HA THR 73 -10.520 7.398 -4.094 510 HB THR 73 HB THR 73 -8.963 4.917 -3.985 511 HG1 THR 73 1HG THR 73 -11.507 5.634 -2.912 512 HG21 THR 73 3HG2 THR 73 -9.646 6.391 -1.445 513 HG22 THR 73 1HG2 THR 73 -8.065 5.796 -1.952 514 HG23 THR 73 2HG2 THR 73 -9.338 4.657 -1.515 515 H GLU 74 H GLU 74 -10.261 8.944 -2.622 516 HA GLU 74 HA GLU 74 -7.563 9.841 -1.985 517 HB3 GLU 74 2HB GLU 74 -9.088 11.568 -2.665 518 HG3 GLU 74 2HG GLU 74 -10.955 12.024 -0.794 519 H ILE 75 H ILE 75 -6.660 9.810 0.019 520 HA ILE 75 HA ILE 75 -8.174 8.392 2.111 521 HB ILE 75 HB ILE 75 -5.864 7.882 3.054 522 HG13 ILE 75 2HG1 ILE 75 -4.604 9.527 1.750 523 HG21 ILE 75 1HG2 ILE 75 -6.642 6.700 0.392 524 HG22 ILE 75 2HG2 ILE 75 -5.551 5.961 1.563 525 HG23 ILE 75 3HG2 ILE 75 -7.250 6.203 1.971 526 HD11 ILE 75 3HD1 ILE 75 -3.731 7.009 2.227 527 HD12 ILE 75 1HD1 ILE 75 -3.505 7.131 0.483 528 HD13 ILE 75 2HD1 ILE 75 -2.745 8.306 1.556 529 H LYS 76 H LYS 76 -8.719 9.534 3.838 530 HA LYS 76 HA LYS 76 -7.576 12.166 4.262 531 HB3 LYS 76 2HB LYS 76 -9.297 12.350 6.042 532 HG3 LYS 76 2HG LYS 76 -10.601 11.229 3.581 533 HD3 LYS 76 2HD LYS 76 -11.898 12.044 5.653 534 HE3 LYS 76 2HE LYS 76 -10.921 14.653 4.502 535 HZ1 LYS 76 3HZ LYS 76 -12.748 14.652 6.758 536 HZ2 LYS 76 1HZ LYS 76 -13.440 14.274 5.260 537 HZ3 LYS 76 2HZ LYS 76 -12.619 15.738 5.466 538 H ASP 77 H ASP 77 -7.256 12.755 6.694 539 HA ASP 77 HA ASP 77 -4.993 11.357 7.607 540 HB3 ASP 77 2HB ASP 77 -4.929 12.890 9.389 541 H ASP 78 H ASP 78 -8.390 11.035 8.321 542 HA ASP 78 HA ASP 78 -7.998 9.379 10.641 543 HB3 ASP 78 2HB ASP 78 -10.374 9.192 10.719 544 H ASP 79 H ASP 79 -8.546 8.899 7.215 545 HA ASP 79 HA ASP 79 -9.323 6.256 7.125 546 HB3 ASP 79 2HB ASP 79 -7.951 6.218 4.931 547 H LYS 80 H LYS 80 -8.177 4.285 6.829 548 HA LYS 80 HA LYS 80 -5.352 4.245 7.545 549 HB3 LYS 80 2HB LYS 80 -6.591 4.105 9.689 550 HG3 LYS 80 2HG LYS 80 -7.515 1.371 8.919 551 HD3 LYS 80 2HD LYS 80 -9.247 2.097 10.711 552 HE3 LYS 80 2HE LYS 80 -7.256 0.468 10.908 553 HZ1 LYS 80 3HZ LYS 80 -5.898 1.680 12.907 554 HZ2 LYS 80 1HZ LYS 80 -6.063 2.933 11.782 555 HZ3 LYS 80 2HZ LYS 80 -5.329 1.479 11.328 556 H ILE 81 H ILE 81 -4.249 2.597 6.614 557 HA ILE 81 HA ILE 81 -5.816 0.749 4.951 558 HB ILE 81 HB ILE 81 -2.891 1.445 4.680 559 HG13 ILE 81 2HG1 ILE 81 -5.362 2.712 3.607 560 HG21 ILE 81 1HG2 ILE 81 -4.657 -0.485 3.399 561 HG22 ILE 81 2HG2 ILE 81 -3.817 0.557 2.251 562 HG23 ILE 81 3HG2 ILE 81 -2.896 -0.395 3.414 563 HD11 ILE 81 3HD1 ILE 81 -4.230 4.143 5.028 564 HD12 ILE 81 1HD1 ILE 81 -2.647 3.640 4.436 565 HD13 ILE 81 2HD1 ILE 81 -3.686 4.650 3.428 566 H ASP 82 H ASP 82 -5.549 -1.433 5.082 567 HA ASP 82 HA ASP 82 -3.515 -2.489 6.906 568 HB3 ASP 82 2HB ASP 82 -5.242 -4.032 7.883 569 H LEU 83 H LEU 83 -2.562 -4.296 6.183 570 HA LEU 83 HA LEU 83 -3.690 -5.545 3.771 571 HB3 LEU 83 2HB LEU 83 -0.853 -5.814 4.715 572 HG LEU 83 HG LEU 83 -2.238 -6.670 2.327 573 HD11 LEU 83 1HD1 LEU 83 -0.041 -4.660 2.047 574 HD12 LEU 83 2HD1 LEU 83 -1.546 -4.807 1.140 575 HD13 LEU 83 3HD1 LEU 83 -0.234 -5.951 0.861 576 HD21 LEU 83 3HD2 LEU 83 0.253 -7.202 3.816 577 HD22 LEU 83 1HD2 LEU 83 0.277 -7.579 2.094 578 HD23 LEU 83 2HD2 LEU 83 -0.931 -8.322 3.142 579 H PHE 84 H PHE 84 -3.928 -7.749 3.632 580 HA PHE 84 HA PHE 84 -3.356 -9.295 6.072 581 HB3 PHE 84 2HB PHE 84 -5.633 -10.336 4.625 582 HD1 PHE 84 1HD PHE 84 -5.259 -8.072 7.565 583 HD2 PHE 84 2HD PHE 84 -6.206 -11.968 6.134 584 HE1 PHE 84 1HE PHE 84 -5.842 -8.767 9.852 585 HE2 PHE 84 2HE PHE 84 -6.792 -12.668 8.419 586 HZ PHE 84 HZ PHE 84 -6.609 -11.067 10.281 587 HA PRO 85 HA PRO 85 -1.257 -12.076 3.380 588 HB3 PRO 85 2HB PRO 85 -0.225 -12.881 5.268 589 HG3 PRO 85 2HG PRO 85 -1.354 -12.989 7.299 590 HD3 PRO 85 2HD PRO 85 -1.812 -10.809 6.705 591 HA PRO 86 HA PRO 86 -4.165 -14.566 1.214 592 HB3 PRO 86 2HB PRO 86 -2.496 -15.019 -0.298 593 HG3 PRO 86 2HG PRO 86 -0.301 -15.342 0.398 594 HD3 PRO 86 2HD PRO 86 -0.778 -13.370 1.492 595 H VAL 87 H VAL 87 -5.471 -16.404 1.353 596 HA VAL 87 HA VAL 87 -5.832 -17.530 3.885 597 HB VAL 87 HB VAL 87 -7.286 -19.215 2.688 598 HG11 VAL 87 1HG1 VAL 87 -8.011 -16.487 1.731 599 HG12 VAL 87 2HG1 VAL 87 -9.015 -17.713 2.507 600 HG13 VAL 87 3HG1 VAL 87 -7.865 -16.778 3.464 601 HG21 VAL 87 3HG2 VAL 87 -6.571 -17.577 0.259 602 HG22 VAL 87 1HG2 VAL 87 -5.989 -19.211 0.578 603 HG23 VAL 87 2HG2 VAL 87 -7.711 -18.919 0.333 604 H ALA 88 H ALA 88 -3.943 -18.600 1.143 605 HA ALA 88 HA ALA 88 -3.311 -21.124 2.486 606 HB1 ALA 88 1HB ALA 88 -2.389 -20.276 -0.247 607 HB2 ALA 88 2HB ALA 88 -2.472 -21.906 0.424 608 HB3 ALA 88 3HB ALA 88 -3.956 -21.034 0.041 609 H GLY 89 H GLY 89 -2.325 -18.621 3.549 610 HA2 GLY 89 2HA GLY 89 0.570 -19.105 3.209 611 HA3 GLY 89 3HA GLY 89 -0.086 -17.478 3.313 612 H GLY 90 H GLY 90 1.857 -18.106 5.050 613 HA2 GLY 90 2HA GLY 90 1.458 -17.311 7.440 614 HA3 GLY 90 3HA GLY 90 0.471 -18.760 7.570 Start of MODEL 16 1 H1 MET 1 H MET 1 -3.513 11.876 6.395 2 HA MET 1 HA MET 1 -0.835 11.236 6.735 3 HB3 MET 1 2HB MET 1 -2.449 11.105 9.278 4 HG3 MET 1 2HG MET 1 -0.015 9.571 8.503 5 HE1 MET 1 3HE MET 1 -1.900 10.111 11.992 6 HE2 MET 1 1HE MET 1 -1.229 8.499 11.744 7 HE3 MET 1 2HE MET 1 -0.548 9.556 12.980 8 H VAL 2 H VAL 2 -0.458 9.085 6.331 9 HA VAL 2 HA VAL 2 -2.838 7.357 6.129 10 HB VAL 2 HB VAL 2 -1.836 6.280 4.175 11 HG11 VAL 2 1HG1 VAL 2 -2.173 9.267 4.011 12 HG12 VAL 2 2HG1 VAL 2 -2.014 8.228 2.592 13 HG13 VAL 2 3HG1 VAL 2 -3.379 8.021 3.690 14 HG21 VAL 2 3HG2 VAL 2 0.102 8.054 3.286 15 HG22 VAL 2 1HG2 VAL 2 0.473 7.824 4.995 16 HG23 VAL 2 2HG2 VAL 2 0.374 6.430 3.917 17 H THR 3 H THR 3 -2.715 5.403 7.057 18 HA THR 3 HA THR 3 -0.092 4.549 8.099 19 HB THR 3 HB THR 3 -2.678 3.636 9.313 20 HG1 THR 3 1HG THR 3 -2.880 5.847 9.450 21 HG21 THR 3 3HG2 THR 3 -1.033 3.837 11.358 22 HG22 THR 3 1HG2 THR 3 0.198 3.771 10.097 23 HG23 THR 3 2HG2 THR 3 -0.956 2.448 10.274 24 H VAL 4 H VAL 4 0.622 2.550 7.621 25 HA VAL 4 HA VAL 4 -1.182 0.805 6.075 26 HB VAL 4 HB VAL 4 0.900 -0.174 5.097 27 HG11 VAL 4 1HG1 VAL 4 1.441 2.234 3.945 28 HG12 VAL 4 2HG1 VAL 4 0.097 1.181 3.497 29 HG13 VAL 4 3HG1 VAL 4 -0.163 2.514 4.622 30 HG21 VAL 4 3HG2 VAL 4 2.883 0.322 5.965 31 HG22 VAL 4 1HG2 VAL 4 2.659 2.010 5.506 32 HG23 VAL 4 2HG2 VAL 4 2.122 1.448 7.089 33 H ARG 5 H ARG 5 -0.045 -1.553 6.087 34 HA ARG 5 HA ARG 5 0.959 -2.329 8.669 35 HB3 ARG 5 2HB ARG 5 -1.067 -4.039 8.786 36 HG3 ARG 5 2HG ARG 5 -1.708 -1.260 9.676 37 HD3 ARG 5 2HD ARG 5 -3.096 -3.413 10.121 38 HE ARG 5 HE ARG 5 -0.745 -4.167 11.456 39 HH11 ARG 5 1HH1 ARG 5 -4.187 -4.027 11.959 40 HH12 ARG 5 2HH1 ARG 5 -4.209 -5.357 13.070 41 HH21 ARG 5 1HH2 ARG 5 -0.762 -5.918 12.917 42 HH22 ARG 5 2HH2 ARG 5 -2.261 -6.431 13.615 43 H TYR 6 H TYR 6 1.604 -4.551 8.749 44 HA TYR 6 HA TYR 6 1.449 -6.064 6.259 45 HB3 TYR 6 2HB TYR 6 3.793 -6.325 5.999 46 HD1 TYR 6 2HD TYR 6 2.748 -4.791 4.210 47 HD2 TYR 6 1HD TYR 6 4.626 -3.336 7.741 48 HE1 TYR 6 2HE TYR 6 3.047 -2.596 3.140 49 HE2 TYR 6 1HE TYR 6 4.928 -1.137 6.682 50 HH TYR 6 HH TYR 6 4.894 -0.038 4.678 51 H TYR 7 H TYR 7 1.542 -8.256 6.532 52 HA TYR 7 HA TYR 7 1.567 -9.189 9.313 53 HB3 TYR 7 2HB TYR 7 0.685 -11.297 7.740 54 HD1 TYR 7 2HD TYR 7 -0.817 -8.080 8.927 55 HD2 TYR 7 1HD TYR 7 -0.850 -12.331 9.107 56 HE1 TYR 7 2HE TYR 7 -2.622 -7.990 10.595 57 HE2 TYR 7 1HE TYR 7 -2.656 -12.252 10.775 58 HH TYR 7 HH TYR 7 -3.693 -9.252 12.220 59 H ALA 8 H ALA 8 2.135 -11.759 9.202 60 HA ALA 8 HA ALA 8 4.880 -11.948 9.084 61 HB1 ALA 8 1HB ALA 8 4.084 -13.722 10.227 62 HB2 ALA 8 2HB ALA 8 2.660 -13.885 9.197 63 HB3 ALA 8 3HB ALA 8 4.215 -14.519 8.658 64 H THR 9 H THR 9 2.534 -12.438 6.525 65 HA THR 9 HA THR 9 4.132 -13.736 4.645 66 HB THR 9 HB THR 9 2.612 -12.324 2.986 67 HG1 THR 9 1HG THR 9 0.858 -11.445 3.954 68 HG21 THR 9 3HG2 THR 9 2.532 -14.814 3.764 69 HG22 THR 9 1HG2 THR 9 1.123 -14.099 2.979 70 HG23 THR 9 2HG2 THR 9 1.162 -14.273 4.734 71 H LEU 10 H LEU 10 3.770 -10.289 5.344 72 HA LEU 10 HA LEU 10 5.910 -9.704 3.417 73 HB3 LEU 10 2HB LEU 10 5.169 -7.326 3.723 74 HG LEU 10 HG LEU 10 4.232 -8.842 1.864 75 HD11 LEU 10 1HD1 LEU 10 2.693 -10.187 3.033 76 HD12 LEU 10 2HD1 LEU 10 1.717 -9.063 2.087 77 HD13 LEU 10 3HD1 LEU 10 1.945 -8.792 3.814 78 HD21 LEU 10 3HD2 LEU 10 2.597 -6.466 2.742 79 HD22 LEU 10 1HD2 LEU 10 2.772 -7.091 1.103 80 HD23 LEU 10 2HD2 LEU 10 4.154 -6.362 1.920 81 H ARG 11 H ARG 11 6.509 -10.889 5.937 82 HA ARG 11 HA ARG 11 7.334 -8.953 7.837 83 HB3 ARG 11 2HB ARG 11 7.808 -11.860 7.402 84 HG3 ARG 11 2HG ARG 11 10.052 -11.096 7.968 85 HD3 ARG 11 2HD ARG 11 9.295 -9.005 9.137 86 HE ARG 11 HE ARG 11 7.894 -9.408 10.898 87 HH11 ARG 11 1HH1 ARG 11 10.574 -11.624 11.051 88 HH12 ARG 11 2HH1 ARG 11 10.138 -12.249 12.607 89 HH21 ARG 11 1HH2 ARG 11 7.308 -10.223 12.947 90 HH22 ARG 11 2HH2 ARG 11 8.279 -11.453 13.684 91 HA PRO 12 HA PRO 12 11.736 -9.569 5.927 92 HB3 PRO 12 2HB PRO 12 11.971 -11.696 5.090 93 HG3 PRO 12 2HG PRO 12 10.173 -12.813 4.129 94 HD3 PRO 12 2HD PRO 12 9.203 -12.123 6.103 95 H ILE 13 H ILE 13 8.918 -8.562 4.382 96 HA ILE 13 HA ILE 13 10.234 -7.112 2.241 97 HB ILE 13 HB ILE 13 7.365 -6.713 3.014 98 HG13 ILE 13 2HG1 ILE 13 6.752 -8.630 1.597 99 HG21 ILE 13 1HG2 ILE 13 7.060 -6.197 0.721 100 HG22 ILE 13 2HG2 ILE 13 8.518 -5.353 1.238 101 HG23 ILE 13 3HG2 ILE 13 8.647 -6.837 0.295 102 HD11 ILE 13 3HD1 ILE 13 9.710 -9.165 1.511 103 HD12 ILE 13 1HD1 ILE 13 8.469 -10.347 1.094 104 HD13 ILE 13 2HD1 ILE 13 8.633 -8.870 0.146 105 H THR 14 H THR 14 7.970 -6.096 4.805 106 HA THR 14 HA THR 14 8.923 -3.389 4.701 107 HB THR 14 HB THR 14 6.550 -4.020 5.239 108 HG1 THR 14 1HG THR 14 7.216 -1.944 5.752 109 HG21 THR 14 3HG2 THR 14 7.782 -5.611 7.190 110 HG22 THR 14 1HG2 THR 14 6.054 -5.349 6.960 111 HG23 THR 14 2HG2 THR 14 6.961 -4.324 8.073 112 H LYS 15 H LYS 15 9.933 -6.199 6.287 113 HA LYS 15 HA LYS 15 11.542 -6.618 7.839 114 HB3 LYS 15 2HB LYS 15 13.293 -5.036 8.149 115 HG3 LYS 15 2HG LYS 15 12.190 -4.350 5.436 116 HD3 LYS 15 2HD LYS 15 14.600 -4.284 4.848 117 HE3 LYS 15 2HE LYS 15 15.134 -2.181 6.136 118 HZ1 LYS 15 3HZ LYS 15 13.934 -1.141 4.610 119 HZ2 LYS 15 1HZ LYS 15 12.476 -1.588 5.343 120 HZ3 LYS 15 2HZ LYS 15 13.207 -2.616 4.216 121 H LYS 16 H LYS 16 9.087 -6.364 8.883 122 HA LYS 16 HA LYS 16 7.831 -5.722 10.700 123 HB3 LYS 16 2HB LYS 16 9.386 -7.406 11.602 124 HG3 LYS 16 2HG LYS 16 11.114 -5.020 12.152 125 HD3 LYS 16 2HD LYS 16 10.901 -7.591 13.670 126 HE3 LYS 16 2HE LYS 16 13.390 -5.899 13.486 127 HZ1 LYS 16 3HZ LYS 16 14.356 -7.468 14.920 128 HZ2 LYS 16 1HZ LYS 16 13.058 -8.544 14.776 129 HZ3 LYS 16 2HZ LYS 16 12.865 -7.094 15.625 130 H LYS 17 H LYS 17 8.655 -3.463 9.295 131 HA LYS 17 HA LYS 17 8.934 -1.536 11.496 132 HB3 LYS 17 2HB LYS 17 10.192 -0.113 9.697 133 HG3 LYS 17 2HG LYS 17 12.382 -1.187 10.274 134 HD3 LYS 17 2HD LYS 17 10.364 -0.423 12.356 135 HE3 LYS 17 2HE LYS 17 12.120 -2.085 13.230 136 HZ1 LYS 17 3HZ LYS 17 14.154 -0.569 13.892 137 HZ2 LYS 17 1HZ LYS 17 13.794 0.163 12.410 138 HZ3 LYS 17 2HZ LYS 17 14.157 -1.487 12.472 139 H GLU 18 H GLU 18 6.886 -0.785 11.554 140 HA GLU 18 HA GLU 18 5.670 0.102 9.027 141 HB3 GLU 18 2HB GLU 18 4.442 -0.668 11.673 142 HG3 GLU 18 2HG GLU 18 2.999 0.382 9.250 143 H GLU 19 H GLU 19 4.887 2.176 8.805 144 HA GLU 19 HA GLU 19 4.955 4.033 11.014 145 HB3 GLU 19 2HB GLU 19 6.678 4.722 8.651 146 HG3 GLU 19 2HG GLU 19 6.601 5.685 11.500 147 H THR 20 H THR 20 4.207 6.212 10.354 148 HA THR 20 HA THR 20 2.215 5.959 8.216 149 HB THR 20 HB THR 20 1.313 8.120 9.303 150 HG1 THR 20 1HG THR 20 1.966 7.915 11.695 151 HG21 THR 20 3HG2 THR 20 0.178 5.980 9.496 152 HG22 THR 20 1HG2 THR 20 0.127 6.829 11.041 153 HG23 THR 20 2HG2 THR 20 1.262 5.499 10.802 154 H PHE 21 H PHE 21 1.803 7.800 6.823 155 HA PHE 21 HA PHE 21 4.120 9.576 6.474 156 HB3 PHE 21 2HB PHE 21 3.966 9.303 4.041 157 HD1 PHE 21 2HD PHE 21 5.903 8.490 6.024 158 HD2 PHE 21 1HD PHE 21 3.406 6.097 3.543 159 HE1 PHE 21 2HE PHE 21 7.531 6.651 6.167 160 HE2 PHE 21 1HE PHE 21 5.028 4.254 3.682 161 HZ PHE 21 HZ PHE 21 7.094 4.529 4.995 162 H ASN 22 H ASN 22 3.680 11.637 5.720 163 HA ASN 22 HA ASN 22 0.826 12.330 5.478 164 HB3 ASN 22 2HB ASN 22 1.412 13.256 7.545 165 HD21 ASN 22 1HD2 ASN 22 2.999 12.975 8.922 166 HD22 ASN 22 2HD2 ASN 22 4.644 13.454 8.698 167 H GLY 23 H GLY 23 0.385 14.287 4.220 168 HA2 GLY 23 2HA GLY 23 1.560 15.991 2.751 169 HA3 GLY 23 3HA GLY 23 2.364 14.594 2.051 170 H ILE 24 H ILE 24 0.804 12.866 1.222 171 HA ILE 24 HA ILE 24 -1.321 14.235 -0.283 172 HB ILE 24 HB ILE 24 0.148 11.678 -0.937 173 HG13 ILE 24 2HG1 ILE 24 1.142 12.949 -2.761 174 HG21 ILE 24 1HG2 ILE 24 -1.129 12.397 -3.215 175 HG22 ILE 24 2HG2 ILE 24 -1.744 11.219 -2.058 176 HG23 ILE 24 3HG2 ILE 24 -2.307 12.889 -1.999 177 HD11 ILE 24 3HD1 ILE 24 -0.635 14.552 -3.204 178 HD12 ILE 24 1HD1 ILE 24 -0.311 15.344 -1.663 179 HD13 ILE 24 2HD1 ILE 24 0.909 15.359 -2.937 180 H SER 25 H SER 25 -3.381 13.411 -0.368 181 HA SER 25 HA SER 25 -3.965 11.238 1.534 182 HB3 SER 25 2HB SER 25 -5.083 13.037 2.458 183 HG SER 25 HG SER 25 -5.801 14.761 1.326 184 H LYS 26 H LYS 26 -3.267 10.224 -0.759 185 HA LYS 26 HA LYS 26 -5.744 9.178 -1.843 186 HB3 LYS 26 2HB LYS 26 -5.028 9.566 -4.195 187 HG3 LYS 26 2HG LYS 26 -5.207 12.182 -2.722 188 HD3 LYS 26 2HD LYS 26 -4.811 11.879 -5.323 189 HE3 LYS 26 2HE LYS 26 -6.900 10.377 -5.389 190 HZ1 LYS 26 3HZ LYS 26 -8.887 11.259 -4.997 191 HZ2 LYS 26 1HZ LYS 26 -8.557 12.648 -5.906 192 HZ3 LYS 26 2HZ LYS 26 -8.090 12.568 -4.282 193 H ILE 27 H ILE 27 -5.471 7.204 -2.993 194 HA ILE 27 HA ILE 27 -3.352 5.591 -1.998 195 HB ILE 27 HB ILE 27 -5.561 5.096 -3.972 196 HG13 ILE 27 2HG1 ILE 27 -6.403 3.615 -2.268 197 HG21 ILE 27 1HG2 ILE 27 -3.801 3.796 -4.870 198 HG22 ILE 27 2HG2 ILE 27 -3.275 3.273 -3.271 199 HG23 ILE 27 3HG2 ILE 27 -4.802 2.689 -3.930 200 HD11 ILE 27 3HD1 ILE 27 -3.695 3.647 -1.287 201 HD12 ILE 27 1HD1 ILE 27 -4.847 4.040 -0.012 202 HD13 ILE 27 2HD1 ILE 27 -5.016 2.538 -0.920 203 H SER 28 H SER 28 -3.894 7.327 -4.971 204 HA SER 28 HA SER 28 -2.171 6.062 -6.716 205 HB3 SER 28 2HB SER 28 -3.198 8.830 -6.422 206 HG SER 28 HG SER 28 -1.490 9.707 -7.250 207 H GLU 29 H GLU 29 -1.378 8.739 -4.498 208 HA GLU 29 HA GLU 29 1.422 8.589 -5.055 209 HB3 GLU 29 2HB GLU 29 1.349 9.991 -2.762 210 HG3 GLU 29 2HG GLU 29 0.409 11.929 -4.399 211 H LEU 30 H LEU 30 -0.724 7.196 -2.683 212 HA LEU 30 HA LEU 30 1.166 6.411 -0.764 213 HB3 LEU 30 2HB LEU 30 -1.261 4.785 -1.432 214 HG LEU 30 HG LEU 30 -0.039 5.549 1.218 215 HD11 LEU 30 1HD1 LEU 30 -2.699 5.260 0.757 216 HD12 LEU 30 2HD1 LEU 30 -1.899 4.905 2.288 217 HD13 LEU 30 3HD1 LEU 30 -2.230 3.604 1.143 218 HD21 LEU 30 3HD2 LEU 30 0.016 2.986 1.379 219 HD22 LEU 30 1HD2 LEU 30 1.223 3.783 0.369 220 HD23 LEU 30 2HD2 LEU 30 -0.178 3.011 -0.375 221 H LEU 31 H LEU 31 -0.212 4.582 -3.492 222 HA LEU 31 HA LEU 31 1.333 2.262 -3.110 223 HB3 LEU 31 2HB LEU 31 0.857 2.116 -5.721 224 HG LEU 31 HG LEU 31 -1.358 1.909 -3.682 225 HD11 LEU 31 1HD1 LEU 31 -2.731 1.574 -5.390 226 HD12 LEU 31 2HD1 LEU 31 -1.780 0.155 -5.825 227 HD13 LEU 31 3HD1 LEU 31 -1.406 1.722 -6.544 228 HD21 LEU 31 3HD2 LEU 31 0.001 0.256 -2.967 229 HD22 LEU 31 1HD2 LEU 31 0.878 0.167 -4.495 230 HD23 LEU 31 2HD2 LEU 31 -0.694 -0.616 -4.334 231 H GLU 32 H GLU 32 1.791 5.000 -5.343 232 HA GLU 32 HA GLU 32 4.159 4.140 -6.523 233 HB3 GLU 32 2HB GLU 32 4.433 6.886 -6.414 234 HG3 GLU 32 2HG GLU 32 3.383 6.964 -8.595 235 H ARG 33 H ARG 33 3.632 5.937 -3.530 236 HA ARG 33 HA ARG 33 6.390 6.417 -3.013 237 HB3 ARG 33 2HB ARG 33 5.460 6.775 -0.614 238 HG3 ARG 33 2HG ARG 33 4.069 8.833 -1.514 239 HD3 ARG 33 2HD ARG 33 6.190 10.049 -1.842 240 HE ARG 33 HE ARG 33 5.461 8.927 0.497 241 HH11 ARG 33 1HH1 ARG 33 8.552 9.446 -1.017 242 HH12 ARG 33 2HH1 ARG 33 9.406 9.607 0.482 243 HH21 ARG 33 1HH2 ARG 33 6.573 9.137 2.478 244 HH22 ARG 33 2HH2 ARG 33 8.280 9.429 2.470 245 H LEU 34 H LEU 34 4.051 4.076 -1.701 246 HA LEU 34 HA LEU 34 5.762 2.742 0.038 247 HB3 LEU 34 2HB LEU 34 4.073 0.780 -0.978 248 HG LEU 34 HG LEU 34 4.260 1.135 1.404 249 HD11 LEU 34 1HD1 LEU 34 4.399 3.293 2.010 250 HD12 LEU 34 2HD1 LEU 34 2.645 3.175 2.141 251 HD13 LEU 34 3HD1 LEU 34 3.376 3.843 0.682 252 HD21 LEU 34 3HD2 LEU 34 1.661 1.417 1.844 253 HD22 LEU 34 1HD2 LEU 34 2.330 -0.036 1.100 254 HD23 LEU 34 2HD2 LEU 34 1.597 1.213 0.093 255 H LYS 35 H LYS 35 5.144 2.183 -3.401 256 HA LYS 35 HA LYS 35 6.548 -0.163 -3.783 257 HB3 LYS 35 2HB LYS 35 6.103 2.222 -5.559 258 HG3 LYS 35 2HG LYS 35 7.780 -0.166 -6.112 259 HD3 LYS 35 2HD LYS 35 6.578 1.158 -8.461 260 HE3 LYS 35 2HE LYS 35 6.648 -1.164 -9.317 261 HZ1 LYS 35 3HZ LYS 35 9.234 -0.439 -8.063 262 HZ2 LYS 35 1HZ LYS 35 8.619 0.341 -9.432 263 HZ3 LYS 35 2HZ LYS 35 8.988 -1.309 -9.492 264 H VAL 36 H VAL 36 7.768 3.140 -3.582 265 HA VAL 36 HA VAL 36 10.471 2.414 -4.214 266 HB VAL 36 HB VAL 36 9.403 4.942 -2.950 267 HG11 VAL 36 1HG1 VAL 36 12.111 4.098 -3.861 268 HG12 VAL 36 2HG1 VAL 36 11.626 5.781 -4.068 269 HG13 VAL 36 3HG1 VAL 36 11.641 5.059 -2.460 270 HG21 VAL 36 3HG2 VAL 36 8.702 5.553 -4.968 271 HG22 VAL 36 1HG2 VAL 36 10.300 5.248 -5.646 272 HG23 VAL 36 2HG2 VAL 36 9.111 3.948 -5.571 273 H GLU 37 H GLU 37 8.564 2.744 -1.309 274 HA GLU 37 HA GLU 37 10.423 3.058 0.667 275 HB3 GLU 37 2HB GLU 37 8.326 0.951 1.013 276 HG3 GLU 37 2HG GLU 37 8.603 3.302 2.788 277 H TYR 38 H TYR 38 9.458 -0.048 -0.786 278 HA TYR 38 HA TYR 38 11.929 -1.226 0.302 279 HB3 TYR 38 2HB TYR 38 9.503 -2.751 -0.647 280 HD1 TYR 38 1HD TYR 38 12.327 -2.765 1.811 281 HD2 TYR 38 2HD TYR 38 9.873 -5.013 -0.840 282 HE1 TYR 38 1HE TYR 38 13.616 -4.790 2.346 283 HE2 TYR 38 2HE TYR 38 11.155 -7.045 -0.311 284 HH TYR 38 HH TYR 38 14.063 -6.928 1.639 285 H GLY 39 H GLY 39 9.877 -0.978 -2.564 286 HA2 GLY 39 2HA GLY 39 11.262 -0.624 -4.642 287 HA3 GLY 39 3HA GLY 39 12.099 -2.091 -4.160 288 H SER 40 H SER 40 11.564 -3.154 -6.080 289 HA SER 40 HA SER 40 8.858 -3.416 -6.962 290 HB3 SER 40 2HB SER 40 11.335 -4.993 -7.706 291 HG SER 40 HG SER 40 9.207 -4.776 -9.458 292 H GLU 41 H GLU 41 10.992 -5.257 -4.895 293 HA GLU 41 HA GLU 41 9.738 -7.718 -4.836 294 HB3 GLU 41 2HB GLU 41 10.467 -7.183 -2.177 295 HG3 GLU 41 2HG GLU 41 12.408 -8.515 -2.599 296 H PHE 42 H PHE 42 9.043 -4.883 -2.799 297 HA PHE 42 HA PHE 42 6.864 -6.078 -1.441 298 HB3 PHE 42 2HB PHE 42 7.645 -3.186 -1.835 299 HD1 PHE 42 1HD PHE 42 5.215 -5.480 -0.282 300 HD2 PHE 42 2HD PHE 42 6.496 -1.445 -0.719 301 HE1 PHE 42 1HE PHE 42 3.133 -4.709 0.777 302 HE2 PHE 42 2HE PHE 42 4.416 -0.667 0.340 303 HZ PHE 42 HZ PHE 42 2.730 -2.299 1.089 304 H THR 43 H THR 43 6.977 -3.699 -4.089 305 HA THR 43 HA THR 43 4.270 -3.376 -4.514 306 HB THR 43 HB THR 43 6.090 -3.558 -6.885 307 HG1 THR 43 1HG THR 43 7.452 -2.302 -5.855 308 HG21 THR 43 3HG2 THR 43 4.768 -1.859 -7.763 309 HG22 THR 43 1HG2 THR 43 4.231 -1.318 -6.174 310 HG23 THR 43 2HG2 THR 43 3.602 -2.819 -6.854 311 H LYS 44 H LYS 44 6.407 -5.914 -5.736 312 HA LYS 44 HA LYS 44 4.387 -7.162 -7.333 313 HB3 LYS 44 2HB LYS 44 6.033 -9.021 -7.509 314 HG3 LYS 44 2HG LYS 44 8.034 -7.466 -8.258 315 HD3 LYS 44 2HD LYS 44 5.344 -7.451 -9.628 316 HE3 LYS 44 2HE LYS 44 7.999 -7.440 -11.002 317 HZ1 LYS 44 3HZ LYS 44 6.560 -7.516 -12.685 318 HZ2 LYS 44 1HZ LYS 44 6.233 -5.889 -12.351 319 HZ3 LYS 44 2HZ LYS 44 5.238 -7.099 -11.715 320 H GLN 45 H GLN 45 5.575 -7.531 -4.058 321 HA GLN 45 HA GLN 45 4.296 -10.015 -3.530 322 HB3 GLN 45 2HB GLN 45 4.950 -7.981 -1.418 323 HG3 GLN 45 2HG GLN 45 3.968 -10.333 -0.960 324 HE21 GLN 45 1HE2 GLN 45 4.952 -12.353 0.045 325 HE22 GLN 45 2HE2 GLN 45 6.128 -13.181 -0.912 326 H MET 46 H MET 46 3.362 -6.641 -3.152 327 HA MET 46 HA MET 46 0.765 -7.473 -2.077 328 HB3 MET 46 2HB MET 46 1.972 -5.725 -0.838 329 HG3 MET 46 2HG MET 46 2.138 -4.475 -3.484 330 HE1 MET 46 3HE MET 46 0.058 -2.843 -3.989 331 HE2 MET 46 1HE MET 46 -0.621 -3.768 -2.651 332 HE3 MET 46 2HE MET 46 -0.760 -2.010 -2.667 333 H TYR 47 H TYR 47 2.040 -7.168 -5.000 334 HA TYR 47 HA TYR 47 -0.404 -6.953 -6.356 335 HB3 TYR 47 2HB TYR 47 1.180 -4.544 -7.064 336 HD1 TYR 47 2HD TYR 47 -2.222 -5.589 -5.898 337 HD2 TYR 47 1HD TYR 47 0.093 -3.554 -8.830 338 HE1 TYR 47 2HE TYR 47 -4.279 -5.034 -7.128 339 HE2 TYR 47 1HE TYR 47 -1.957 -2.992 -10.068 340 HH TYR 47 HH TYR 47 -5.080 -3.419 -8.740 341 H ASP 48 H ASP 48 0.499 -8.775 -7.349 342 HA ASP 48 HA ASP 48 2.970 -8.564 -8.823 343 HB3 ASP 48 2HB ASP 48 0.901 -10.755 -8.608 344 H GLY 49 H GLY 49 2.609 -6.947 -10.354 345 HA2 GLY 49 2HA GLY 49 2.232 -6.432 -12.597 346 HA3 GLY 49 3HA GLY 49 1.214 -7.858 -12.728 347 H ASN 50 H ASN 50 -0.980 -7.718 -12.237 348 HA ASN 50 HA ASN 50 -1.996 -4.976 -11.871 349 HB3 ASN 50 2HB ASN 50 -3.990 -5.757 -13.229 350 HD21 ASN 50 1HD2 ASN 50 -2.722 -6.889 -15.749 351 HD22 ASN 50 2HD2 ASN 50 -1.882 -5.541 -16.428 352 H ASN 51 H ASN 51 -1.777 -8.002 -10.534 353 HA ASN 51 HA ASN 51 -3.818 -7.386 -8.579 354 HB3 ASN 51 2HB ASN 51 -5.047 -8.631 -10.352 355 HD21 ASN 51 1HD2 ASN 51 -3.766 -9.421 -12.047 356 HD22 ASN 51 2HD2 ASN 51 -3.192 -11.051 -12.058 357 H LEU 52 H LEU 52 -3.769 -8.928 -6.741 358 HA LEU 52 HA LEU 52 -1.251 -9.247 -5.685 359 HB3 LEU 52 2HB LEU 52 -2.247 -10.722 -4.036 360 HG LEU 52 HG LEU 52 -3.647 -9.272 -3.019 361 HD11 LEU 52 1HD1 LEU 52 -3.067 -7.424 -5.306 362 HD12 LEU 52 2HD1 LEU 52 -1.792 -7.975 -4.219 363 HD13 LEU 52 3HD1 LEU 52 -3.160 -7.063 -3.583 364 HD21 LEU 52 3HD2 LEU 52 -5.725 -9.029 -3.756 365 HD22 LEU 52 1HD2 LEU 52 -5.247 -9.780 -5.279 366 HD23 LEU 52 2HD2 LEU 52 -5.167 -8.027 -5.096 367 H PHE 53 H PHE 53 -0.003 -11.169 -5.197 368 HA PHE 53 HA PHE 53 0.338 -12.817 -7.526 369 HB3 PHE 53 2HB PHE 53 1.745 -12.752 -4.852 370 HD1 PHE 53 1HD PHE 53 2.003 -14.148 -8.303 371 HD2 PHE 53 2HD PHE 53 3.085 -14.494 -4.201 372 HE1 PHE 53 1HE PHE 53 3.165 -16.261 -8.791 373 HE2 PHE 53 2HE PHE 53 4.250 -16.607 -4.683 374 HZ PHE 53 HZ PHE 53 4.290 -17.494 -6.980 375 H LYS 54 H LYS 54 -0.046 -13.687 -4.086 376 HA LYS 54 HA LYS 54 -1.084 -16.289 -4.851 377 HB3 LYS 54 2HB LYS 54 -0.577 -15.087 -2.121 378 HG3 LYS 54 2HG LYS 54 -1.320 -17.874 -2.956 379 HD3 LYS 54 2HD LYS 54 -0.896 -18.049 -0.284 380 HE3 LYS 54 2HE LYS 54 1.482 -18.558 -1.976 381 HZ1 LYS 54 3HZ LYS 54 0.888 -20.870 -0.996 382 HZ2 LYS 54 1HZ LYS 54 -0.083 -19.981 0.065 383 HZ3 LYS 54 2HZ LYS 54 1.583 -19.691 -0.001 384 H ASN 55 H ASN 55 -2.179 -13.607 -2.766 385 HA ASN 55 HA ASN 55 -4.680 -13.216 -3.708 386 HB3 ASN 55 2HB ASN 55 -5.745 -14.807 -1.693 387 HD21 ASN 55 1HD2 ASN 55 -5.733 -17.229 -3.529 388 HD22 ASN 55 2HD2 ASN 55 -6.831 -16.793 -4.791 389 H VAL 56 H VAL 56 -2.867 -11.687 -2.409 390 HA VAL 56 HA VAL 56 -3.323 -11.366 0.365 391 HB VAL 56 HB VAL 56 -2.423 -9.178 -1.501 392 HG11 VAL 56 1HG1 VAL 56 -1.260 -8.320 0.403 393 HG12 VAL 56 2HG1 VAL 56 -2.927 -8.637 0.885 394 HG13 VAL 56 3HG1 VAL 56 -1.645 -9.755 1.352 395 HG21 VAL 56 3HG2 VAL 56 -1.036 -11.662 -0.664 396 HG22 VAL 56 1HG2 VAL 56 -0.888 -10.726 -2.152 397 HG23 VAL 56 2HG2 VAL 56 -0.097 -10.170 -0.677 398 H ILE 57 H ILE 57 -4.694 -10.060 1.494 399 HA ILE 57 HA ILE 57 -6.752 -8.643 -0.073 400 HB ILE 57 HB ILE 57 -7.094 -10.057 2.575 401 HG13 ILE 57 2HG1 ILE 57 -7.002 -11.248 0.169 402 HG21 ILE 57 1HG2 ILE 57 -9.587 -9.402 1.515 403 HG22 ILE 57 2HG2 ILE 57 -8.800 -8.674 2.914 404 HG23 ILE 57 3HG2 ILE 57 -8.606 -7.951 1.317 405 HD11 ILE 57 3HD1 ILE 57 -7.775 -12.067 2.627 406 HD12 ILE 57 1HD1 ILE 57 -9.270 -12.269 1.715 407 HD13 ILE 57 2HD1 ILE 57 -7.795 -13.077 1.182 408 H ILE 58 H ILE 58 -6.321 -6.536 0.077 409 HA ILE 58 HA ILE 58 -5.713 -5.437 2.744 410 HB ILE 58 HB ILE 58 -3.741 -5.025 1.597 411 HG13 ILE 58 2HG1 ILE 58 -4.850 -2.940 2.501 412 HG21 ILE 58 1HG2 ILE 58 -5.432 -4.506 -0.838 413 HG22 ILE 58 2HG2 ILE 58 -3.700 -4.191 -0.769 414 HG23 ILE 58 3HG2 ILE 58 -4.304 -5.834 -0.567 415 HD11 ILE 58 3HD1 ILE 58 -3.463 -1.465 0.656 416 HD12 ILE 58 1HD1 ILE 58 -2.798 -2.175 2.127 417 HD13 ILE 58 2HD1 ILE 58 -2.662 -3.035 0.593 418 H LEU 59 H LEU 59 -6.945 -3.789 3.461 419 HA LEU 59 HA LEU 59 -8.891 -2.621 1.581 420 HB3 LEU 59 2HB LEU 59 -10.255 -2.368 3.817 421 HG LEU 59 HG LEU 59 -11.317 -4.610 3.554 422 HD11 LEU 59 1HD1 LEU 59 -12.098 -2.703 2.273 423 HD12 LEU 59 2HD1 LEU 59 -12.181 -4.173 1.302 424 HD13 LEU 59 3HD1 LEU 59 -10.880 -3.012 1.034 425 HD21 LEU 59 3HD2 LEU 59 -8.991 -5.530 2.703 426 HD22 LEU 59 1HD2 LEU 59 -9.656 -5.075 1.134 427 HD23 LEU 59 2HD2 LEU 59 -10.516 -6.227 2.155 428 H VAL 60 H VAL 60 -9.732 -0.490 2.270 429 HA VAL 60 HA VAL 60 -7.803 1.021 3.899 430 HB VAL 60 HB VAL 60 -7.335 1.402 1.498 431 HG11 VAL 60 1HG1 VAL 60 -10.093 2.621 1.419 432 HG12 VAL 60 2HG1 VAL 60 -8.921 2.574 0.099 433 HG13 VAL 60 3HG1 VAL 60 -9.645 1.078 0.691 434 HG21 VAL 60 3HG2 VAL 60 -7.314 3.195 3.470 435 HG22 VAL 60 1HG2 VAL 60 -6.863 3.602 1.814 436 HG23 VAL 60 2HG2 VAL 60 -8.480 3.980 2.406 437 H ASN 61 H ASN 61 -8.692 2.355 5.355 438 HA ASN 61 HA ASN 61 -10.295 3.289 6.681 439 HB3 ASN 61 2HB ASN 61 -11.754 4.019 4.153 440 HD21 ASN 61 1HD2 ASN 61 -12.939 5.882 4.343 441 HD22 ASN 61 2HD2 ASN 61 -13.246 6.651 5.860 442 H GLY 62 H GLY 62 -10.674 0.488 5.902 443 HA2 GLY 62 2HA GLY 62 -12.238 -1.142 6.337 444 HA3 GLY 62 3HA GLY 62 -13.282 0.120 6.970 445 H ASN 63 H ASN 63 -11.952 -0.252 3.704 446 HA ASN 63 HA ASN 63 -14.255 -1.314 2.506 447 HB3 ASN 63 2HB ASN 63 -14.115 1.546 1.718 448 HD21 ASN 63 1HD2 ASN 63 -16.946 1.355 3.036 449 HD22 ASN 63 2HD2 ASN 63 -17.879 0.605 1.789 450 H ASN 64 H ASN 64 -13.896 -1.817 0.379 451 HA ASN 64 HA ASN 64 -11.216 -1.619 -0.566 452 HB3 ASN 64 2HB ASN 64 -12.376 -3.592 -1.165 453 HD21 ASN 64 1HD2 ASN 64 -14.112 -4.704 -2.212 454 HD22 ASN 64 2HD2 ASN 64 -15.688 -3.997 -2.261 455 H ILE 65 H ILE 65 -10.414 -0.519 -2.367 456 HA ILE 65 HA ILE 65 -11.578 2.058 -2.819 457 HB ILE 65 HB ILE 65 -9.682 2.412 -4.368 458 HG13 ILE 65 2HG1 ILE 65 -9.540 0.059 -5.168 459 HG21 ILE 65 1HG2 ILE 65 -8.551 1.165 -1.900 460 HG22 ILE 65 2HG2 ILE 65 -8.112 2.676 -2.695 461 HG23 ILE 65 3HG2 ILE 65 -9.611 2.569 -1.773 462 HD11 ILE 65 3HD1 ILE 65 -6.951 -0.170 -4.745 463 HD12 ILE 65 1HD1 ILE 65 -7.609 1.050 -5.833 464 HD13 ILE 65 2HD1 ILE 65 -7.139 1.493 -4.192 465 H THR 66 H THR 66 -11.616 -0.998 -4.452 466 HA THR 66 HA THR 66 -12.269 -0.132 -7.051 467 HB THR 66 HB THR 66 -13.067 -2.389 -7.459 468 HG1 THR 66 1HG THR 66 -13.900 -3.523 -5.885 469 HG21 THR 66 3HG2 THR 66 -11.048 -3.466 -7.215 470 HG22 THR 66 1HG2 THR 66 -10.790 -2.846 -5.585 471 HG23 THR 66 2HG2 THR 66 -10.550 -1.791 -6.977 472 H SER 67 H SER 67 -14.153 -0.449 -4.149 473 HA SER 67 HA SER 67 -16.724 -0.712 -5.093 474 HB3 SER 67 2HB SER 67 -15.500 0.570 -2.708 475 HG SER 67 HG SER 67 -18.267 0.861 -3.219 476 H MET 68 H MET 68 -14.795 2.251 -4.829 477 HA MET 68 HA MET 68 -16.781 3.591 -6.547 478 HB3 MET 68 2HB MET 68 -16.982 4.964 -4.759 479 HG3 MET 68 2HG MET 68 -14.341 3.889 -3.893 480 HE1 MET 68 3HE MET 68 -15.918 6.467 -0.766 481 HE2 MET 68 1HE MET 68 -16.115 4.774 -1.220 482 HE3 MET 68 2HE MET 68 -14.610 5.318 -0.480 483 H LYS 69 H LYS 69 -13.488 4.446 -5.520 484 HA LYS 69 HA LYS 69 -12.691 4.449 -8.357 485 HB3 LYS 69 2HB LYS 69 -11.035 6.309 -7.311 486 HG3 LYS 69 2HG LYS 69 -13.700 6.562 -8.605 487 HD3 LYS 69 2HD LYS 69 -12.144 9.044 -8.111 488 HE3 LYS 69 2HE LYS 69 -14.315 8.627 -9.540 489 HZ1 LYS 69 3HZ LYS 69 -16.294 9.195 -8.250 490 HZ2 LYS 69 1HZ LYS 69 -15.403 9.088 -6.816 491 HZ3 LYS 69 2HZ LYS 69 -15.645 7.710 -7.766 492 H GLY 70 H GLY 70 -11.048 3.136 -8.794 493 HA2 GLY 70 2HA GLY 70 -9.762 1.544 -6.904 494 HA3 GLY 70 3HA GLY 70 -9.181 1.828 -8.539 495 H LEU 71 H LEU 71 -7.572 3.338 -8.905 496 HA LEU 71 HA LEU 71 -5.872 3.881 -6.662 497 HB3 LEU 71 2HB LEU 71 -5.592 4.921 -9.474 498 HG LEU 71 HG LEU 71 -3.939 5.478 -7.394 499 HD11 LEU 71 1HD1 LEU 71 -2.666 3.145 -8.807 500 HD12 LEU 71 2HD1 LEU 71 -3.403 3.040 -7.209 501 HD13 LEU 71 3HD1 LEU 71 -2.009 4.088 -7.469 502 HD21 LEU 71 3HD2 LEU 71 -3.357 5.151 -10.328 503 HD22 LEU 71 1HD2 LEU 71 -2.210 5.868 -9.196 504 HD23 LEU 71 2HD2 LEU 71 -3.782 6.625 -9.455 505 H ASP 72 H ASP 72 -8.445 5.514 -8.141 506 HA ASP 72 HA ASP 72 -7.545 8.178 -7.440 507 HB3 ASP 72 2HB ASP 72 -10.120 8.566 -8.078 508 H THR 73 H THR 73 -8.402 5.762 -5.571 509 HA THR 73 HA THR 73 -10.560 6.646 -4.013 510 HB THR 73 HB THR 73 -8.461 4.624 -3.759 511 HG1 THR 73 1HG THR 73 -11.130 4.748 -2.760 512 HG21 THR 73 3HG2 THR 73 -8.794 4.360 -1.297 513 HG22 THR 73 1HG2 THR 73 -9.564 5.946 -1.279 514 HG23 THR 73 2HG2 THR 73 -7.869 5.792 -1.744 515 H GLU 74 H GLU 74 -10.713 7.901 -2.192 516 HA GLU 74 HA GLU 74 -8.402 9.631 -1.655 517 HB3 GLU 74 2HB GLU 74 -9.986 11.222 -0.732 518 HG3 GLU 74 2HG GLU 74 -11.044 10.114 -3.322 519 H ILE 75 H ILE 75 -7.430 9.685 0.286 520 HA ILE 75 HA ILE 75 -8.672 8.183 2.495 521 HB ILE 75 HB ILE 75 -6.271 7.624 3.183 522 HG13 ILE 75 2HG1 ILE 75 -5.134 9.153 1.645 523 HG21 ILE 75 1HG2 ILE 75 -7.865 5.969 2.363 524 HG22 ILE 75 2HG2 ILE 75 -7.420 6.355 0.701 525 HG23 ILE 75 3HG2 ILE 75 -6.236 5.621 1.782 526 HD11 ILE 75 3HD1 ILE 75 -4.242 6.696 2.186 527 HD12 ILE 75 1HD1 ILE 75 -4.353 6.584 0.429 528 HD13 ILE 75 2HD1 ILE 75 -3.365 7.842 1.172 529 H LYS 76 H LYS 76 -9.095 9.504 4.124 530 HA LYS 76 HA LYS 76 -7.712 12.032 4.392 531 HB3 LYS 76 2HB LYS 76 -9.316 12.480 6.187 532 HG3 LYS 76 2HG LYS 76 -11.031 11.145 4.160 533 HD3 LYS 76 2HD LYS 76 -11.689 12.801 6.085 534 HE3 LYS 76 2HE LYS 76 -10.827 14.673 3.882 535 HZ1 LYS 76 3HZ LYS 76 -11.793 15.619 6.469 536 HZ2 LYS 76 1HZ LYS 76 -12.953 15.064 5.369 537 HZ3 LYS 76 2HZ LYS 76 -11.920 16.333 4.941 538 H ASP 77 H ASP 77 -7.177 12.689 6.756 539 HA ASP 77 HA ASP 77 -4.962 11.222 7.597 540 HB3 ASP 77 2HB ASP 77 -5.400 13.621 8.130 541 H ASP 78 H ASP 78 -8.325 10.913 8.420 542 HA ASP 78 HA ASP 78 -7.874 9.260 10.733 543 HB3 ASP 78 2HB ASP 78 -10.461 9.458 9.206 544 H ASP 79 H ASP 79 -8.599 8.767 7.330 545 HA ASP 79 HA ASP 79 -9.319 6.102 7.309 546 HB3 ASP 79 2HB ASP 79 -8.144 6.080 5.015 547 H LYS 80 H LYS 80 -8.125 4.168 6.875 548 HA LYS 80 HA LYS 80 -5.262 4.207 7.394 549 HB3 LYS 80 2HB LYS 80 -5.955 3.977 9.629 550 HG3 LYS 80 2HG LYS 80 -7.939 1.868 8.803 551 HD3 LYS 80 2HD LYS 80 -6.949 1.622 11.070 552 HE3 LYS 80 2HE LYS 80 -8.156 4.359 11.457 553 HZ1 LYS 80 3HZ LYS 80 -7.487 2.256 13.371 554 HZ2 LYS 80 1HZ LYS 80 -8.671 3.461 13.457 555 HZ3 LYS 80 2HZ LYS 80 -7.055 3.840 13.780 556 H ILE 81 H ILE 81 -4.182 2.570 6.403 557 HA ILE 81 HA ILE 81 -5.814 0.711 4.819 558 HB ILE 81 HB ILE 81 -2.896 1.364 4.423 559 HG13 ILE 81 2HG1 ILE 81 -5.363 2.773 3.566 560 HG21 ILE 81 1HG2 ILE 81 -4.946 -0.145 2.837 561 HG22 ILE 81 2HG2 ILE 81 -3.497 0.518 2.084 562 HG23 ILE 81 3HG2 ILE 81 -3.353 -0.676 3.374 563 HD11 ILE 81 3HD1 ILE 81 -3.678 4.646 3.297 564 HD12 ILE 81 1HD1 ILE 81 -3.962 4.054 4.934 565 HD13 ILE 81 2HD1 ILE 81 -2.514 3.560 4.056 566 H ASP 82 H ASP 82 -5.702 -1.433 5.117 567 HA ASP 82 HA ASP 82 -3.548 -2.502 6.812 568 HB3 ASP 82 2HB ASP 82 -6.447 -3.349 6.981 569 H LEU 83 H LEU 83 -2.607 -4.312 6.077 570 HA LEU 83 HA LEU 83 -3.794 -5.583 3.702 571 HB3 LEU 83 2HB LEU 83 -0.906 -5.655 4.551 572 HG LEU 83 HG LEU 83 -2.260 -6.957 2.400 573 HD11 LEU 83 1HD1 LEU 83 -0.770 -4.537 1.659 574 HD12 LEU 83 2HD1 LEU 83 -1.984 -5.447 0.761 575 HD13 LEU 83 3HD1 LEU 83 -0.309 -5.998 0.786 576 HD21 LEU 83 3HD2 LEU 83 -0.445 -8.278 2.497 577 HD22 LEU 83 1HD2 LEU 83 -0.085 -7.370 3.967 578 HD23 LEU 83 2HD2 LEU 83 0.676 -6.916 2.442 579 H PHE 84 H PHE 84 -4.053 -7.771 3.618 580 HA PHE 84 HA PHE 84 -3.238 -9.316 5.986 581 HB3 PHE 84 2HB PHE 84 -5.443 -10.624 5.525 582 HD1 PHE 84 2HD PHE 84 -4.110 -9.765 7.867 583 HD2 PHE 84 1HD PHE 84 -7.430 -7.963 5.906 584 HE1 PHE 84 2HE PHE 84 -4.809 -8.744 9.994 585 HE2 PHE 84 1HE PHE 84 -8.133 -6.939 8.029 586 HZ PHE 84 HZ PHE 84 -6.823 -7.330 10.077 587 HA PRO 85 HA PRO 85 -1.521 -12.187 3.135 588 HB3 PRO 85 2HB PRO 85 -0.465 -13.135 4.943 589 HG3 PRO 85 2HG PRO 85 -1.509 -13.248 7.017 590 HD3 PRO 85 2HD PRO 85 -1.843 -11.021 6.527 591 HA PRO 86 HA PRO 86 -4.687 -14.384 1.015 592 HB3 PRO 86 2HB PRO 86 -3.126 -14.874 -0.596 593 HG3 PRO 86 2HG PRO 86 -0.926 -15.365 -0.025 594 HD3 PRO 86 2HD PRO 86 -1.221 -13.418 1.174 595 H VAL 87 H VAL 87 -6.163 -16.040 1.241 596 HA VAL 87 HA VAL 87 -6.468 -17.273 3.700 597 HB VAL 87 HB VAL 87 -8.149 -18.715 2.642 598 HG11 VAL 87 1HG1 VAL 87 -8.823 -16.485 3.228 599 HG12 VAL 87 2HG1 VAL 87 -8.161 -15.843 1.722 600 HG13 VAL 87 3HG1 VAL 87 -9.565 -16.911 1.686 601 HG21 VAL 87 3HG2 VAL 87 -6.776 -17.801 0.157 602 HG22 VAL 87 1HG2 VAL 87 -7.353 -19.408 0.599 603 HG23 VAL 87 2HG2 VAL 87 -8.501 -18.163 0.105 604 H ALA 88 H ALA 88 -4.793 -18.395 0.833 605 HA ALA 88 HA ALA 88 -4.226 -20.968 2.117 606 HB1 ALA 88 1HB ALA 88 -3.262 -21.558 -0.127 607 HB2 ALA 88 2HB ALA 88 -4.993 -21.222 -0.115 608 HB3 ALA 88 3HB ALA 88 -3.864 -20.006 -0.711 609 H GLY 89 H GLY 89 -3.012 -18.537 3.103 610 HA2 GLY 89 2HA GLY 89 -0.309 -18.419 2.131 611 HA3 GLY 89 3HA GLY 89 -0.948 -17.593 3.546 612 H GLY 90 H GLY 90 -1.055 -18.734 5.551 613 HA2 GLY 90 2HA GLY 90 1.224 -20.267 6.116 614 HA3 GLY 90 3HA GLY 90 -0.167 -20.089 7.177 Start of MODEL 17 1 H1 MET 1 H MET 1 -3.103 12.701 7.997 2 HA MET 1 HA MET 1 -0.997 11.011 7.685 3 HB3 MET 1 2HB MET 1 -3.075 11.073 9.869 4 HG3 MET 1 2HG MET 1 -0.695 9.336 9.596 5 HE1 MET 1 3HE MET 1 -2.438 8.738 12.506 6 HE2 MET 1 1HE MET 1 -1.398 9.189 13.858 7 HE3 MET 1 2HE MET 1 -2.583 10.337 13.236 8 H VAL 2 H VAL 2 -0.710 9.057 6.850 9 HA VAL 2 HA VAL 2 -3.021 7.229 6.728 10 HB VAL 2 HB VAL 2 -2.068 6.282 4.673 11 HG11 VAL 2 1HG1 VAL 2 -3.437 7.707 3.663 12 HG12 VAL 2 2HG1 VAL 2 -3.231 8.874 4.972 13 HG13 VAL 2 3HG1 VAL 2 -2.129 8.888 3.594 14 HG21 VAL 2 3HG2 VAL 2 0.151 6.574 4.449 15 HG22 VAL 2 1HG2 VAL 2 -0.305 8.090 3.670 16 HG23 VAL 2 2HG2 VAL 2 0.148 8.075 5.375 17 H THR 3 H THR 3 -2.776 5.268 7.602 18 HA THR 3 HA THR 3 -0.100 4.524 8.567 19 HB THR 3 HB THR 3 -2.637 3.228 9.519 20 HG1 THR 3 1HG THR 3 -3.196 5.040 10.441 21 HG21 THR 3 3HG2 THR 3 0.187 3.446 10.414 22 HG22 THR 3 1HG2 THR 3 -0.913 2.070 10.471 23 HG23 THR 3 2HG2 THR 3 -1.059 3.366 11.658 24 H VAL 4 H VAL 4 0.878 2.727 7.855 25 HA VAL 4 HA VAL 4 -0.666 0.937 6.093 26 HB VAL 4 HB VAL 4 1.613 0.356 5.117 27 HG11 VAL 4 1HG1 VAL 4 -0.241 2.191 4.388 28 HG12 VAL 4 2HG1 VAL 4 1.205 3.198 4.486 29 HG13 VAL 4 3HG1 VAL 4 1.182 1.784 3.432 30 HG21 VAL 4 3HG2 VAL 4 3.475 1.363 5.823 31 HG22 VAL 4 1HG2 VAL 4 2.720 2.956 5.780 32 HG23 VAL 4 2HG2 VAL 4 2.531 1.928 7.201 33 H ARG 5 H ARG 5 -0.912 -1.090 6.751 34 HA ARG 5 HA ARG 5 0.889 -2.108 8.847 35 HB3 ARG 5 2HB ARG 5 -1.203 -3.778 9.029 36 HG3 ARG 5 2HG ARG 5 -0.758 -1.125 10.311 37 HD3 ARG 5 2HD ARG 5 -3.250 -1.545 10.032 38 HE ARG 5 HE ARG 5 -2.709 -4.057 11.004 39 HH11 ARG 5 1HH1 ARG 5 -4.752 -1.391 11.920 40 HH12 ARG 5 2HH1 ARG 5 -5.962 -2.398 12.644 41 HH21 ARG 5 1HH2 ARG 5 -4.294 -5.393 11.954 42 HH22 ARG 5 2HH2 ARG 5 -5.701 -4.673 12.664 43 H TYR 6 H TYR 6 1.703 -4.197 8.691 44 HA TYR 6 HA TYR 6 1.176 -5.670 6.213 45 HB3 TYR 6 2HB TYR 6 3.479 -5.926 5.679 46 HD1 TYR 6 2HD TYR 6 2.068 -4.299 4.157 47 HD2 TYR 6 1HD TYR 6 4.660 -3.031 7.284 48 HE1 TYR 6 2HE TYR 6 2.234 -2.079 3.111 49 HE2 TYR 6 1HE TYR 6 4.831 -0.807 6.248 50 HH TYR 6 HH TYR 6 3.127 -0.054 3.221 51 H TYR 7 H TYR 7 1.184 -7.851 6.429 52 HA TYR 7 HA TYR 7 1.523 -8.888 9.142 53 HB3 TYR 7 2HB TYR 7 0.568 -10.932 7.458 54 HD1 TYR 7 2HD TYR 7 -0.826 -7.970 9.273 55 HD2 TYR 7 1HD TYR 7 -0.768 -12.202 8.836 56 HE1 TYR 7 2HE TYR 7 -2.384 -8.181 11.164 57 HE2 TYR 7 1HE TYR 7 -2.326 -12.425 10.725 58 HH TYR 7 HH TYR 7 -4.187 -10.694 11.789 59 H ALA 8 H ALA 8 2.078 -11.481 8.816 60 HA ALA 8 HA ALA 8 4.815 -11.628 8.553 61 HB1 ALA 8 1HB ALA 8 4.106 -14.169 7.936 62 HB2 ALA 8 2HB ALA 8 4.134 -13.511 9.572 63 HB3 ALA 8 3HB ALA 8 2.619 -13.574 8.673 64 H THR 9 H THR 9 2.348 -11.975 6.081 65 HA THR 9 HA THR 9 3.867 -13.100 4.033 66 HB THR 9 HB THR 9 2.200 -11.381 2.680 67 HG1 THR 9 1HG THR 9 0.913 -10.572 4.157 68 HG21 THR 9 3HG2 THR 9 0.572 -13.526 3.246 69 HG22 THR 9 1HG2 THR 9 2.187 -14.172 3.538 70 HG23 THR 9 2HG2 THR 9 1.788 -13.468 1.971 71 H LEU 10 H LEU 10 3.612 -9.763 5.118 72 HA LEU 10 HA LEU 10 5.701 -9.032 3.171 73 HB3 LEU 10 2HB LEU 10 4.841 -6.677 3.517 74 HG LEU 10 HG LEU 10 3.266 -8.752 2.078 75 HD11 LEU 10 1HD1 LEU 10 1.389 -7.592 2.663 76 HD12 LEU 10 2HD1 LEU 10 1.901 -6.653 1.262 77 HD13 LEU 10 3HD1 LEU 10 2.259 -6.074 2.888 78 HD21 LEU 10 3HD2 LEU 10 5.309 -6.884 1.493 79 HD22 LEU 10 1HD2 LEU 10 3.869 -6.398 0.597 80 HD23 LEU 10 2HD2 LEU 10 4.520 -8.024 0.402 81 H ARG 11 H ARG 11 5.899 -10.147 5.945 82 HA ARG 11 HA ARG 11 6.760 -8.097 7.698 83 HB3 ARG 11 2HB ARG 11 6.883 -11.056 7.633 84 HG3 ARG 11 2HG ARG 11 8.760 -9.403 9.291 85 HD3 ARG 11 2HD ARG 11 9.204 -11.542 10.512 86 HE ARG 11 HE ARG 11 7.281 -9.731 11.142 87 HH11 ARG 11 1HH1 ARG 11 7.589 -13.176 11.528 88 HH12 ARG 11 2HH1 ARG 11 6.629 -13.233 12.969 89 HH21 ARG 11 1HH2 ARG 11 6.015 -9.792 13.038 90 HH22 ARG 11 2HH2 ARG 11 5.734 -11.307 13.827 91 HA PRO 12 HA PRO 12 11.232 -9.341 6.357 92 HB3 PRO 12 2HB PRO 12 11.332 -11.575 5.831 93 HG3 PRO 12 2HG PRO 12 9.533 -12.654 4.829 94 HD3 PRO 12 2HD PRO 12 8.449 -11.616 6.579 95 H ILE 13 H ILE 13 8.690 -8.374 4.343 96 HA ILE 13 HA ILE 13 10.453 -7.209 2.323 97 HB ILE 13 HB ILE 13 7.451 -6.995 2.393 98 HG13 ILE 13 2HG1 ILE 13 8.047 -9.370 2.515 99 HG21 ILE 13 1HG2 ILE 13 9.229 -7.056 -0.019 100 HG22 ILE 13 2HG2 ILE 13 7.595 -6.413 0.140 101 HG23 ILE 13 3HG2 ILE 13 8.952 -5.563 0.878 102 HD11 ILE 13 3HD1 ILE 13 6.618 -8.223 0.326 103 HD12 ILE 13 1HD1 ILE 13 7.464 -9.674 -0.211 104 HD13 ILE 13 2HD1 ILE 13 6.350 -9.755 1.156 105 H THR 14 H THR 14 8.359 -6.309 4.977 106 HA THR 14 HA THR 14 8.727 -3.465 4.415 107 HB THR 14 HB THR 14 6.474 -4.327 5.079 108 HG1 THR 14 1HG THR 14 7.858 -2.301 6.439 109 HG21 THR 14 3HG2 THR 14 7.587 -5.902 6.837 110 HG22 THR 14 1HG2 THR 14 6.017 -5.179 7.185 111 HG23 THR 14 2HG2 THR 14 7.480 -4.493 7.893 112 H LYS 15 H LYS 15 10.855 -5.374 5.416 113 HA LYS 15 HA LYS 15 12.451 -5.521 7.065 114 HB3 LYS 15 2HB LYS 15 13.127 -3.555 5.748 115 HG3 LYS 15 2HG LYS 15 11.647 -1.959 7.830 116 HD3 LYS 15 2HD LYS 15 12.571 -0.328 5.745 117 HE3 LYS 15 2HE LYS 15 14.253 0.245 7.782 118 HZ1 LYS 15 3HZ LYS 15 11.350 0.873 7.751 119 HZ2 LYS 15 1HZ LYS 15 12.542 1.713 6.892 120 HZ3 LYS 15 2HZ LYS 15 12.545 1.736 8.582 121 H LYS 16 H LYS 16 9.885 -5.788 8.170 122 HA LYS 16 HA LYS 16 8.632 -5.451 10.076 123 HB3 LYS 16 2HB LYS 16 10.218 -7.087 10.824 124 HG3 LYS 16 2HG LYS 16 12.074 -4.801 11.456 125 HD3 LYS 16 2HD LYS 16 11.969 -6.741 13.112 126 HE3 LYS 16 2HE LYS 16 12.952 -8.129 10.645 127 HZ1 LYS 16 3HZ LYS 16 14.190 -8.319 13.130 128 HZ2 LYS 16 1HZ LYS 16 14.437 -9.295 11.771 129 HZ3 LYS 16 2HZ LYS 16 13.284 -9.733 12.929 130 H LYS 17 H LYS 17 8.593 -3.064 9.162 131 HA LYS 17 HA LYS 17 8.917 -1.367 11.481 132 HB3 LYS 17 2HB LYS 17 10.126 -0.347 8.932 133 HG3 LYS 17 2HG LYS 17 9.941 0.561 11.683 134 HD3 LYS 17 2HD LYS 17 12.279 1.621 11.493 135 HE3 LYS 17 2HE LYS 17 13.332 -0.594 12.376 136 HZ1 LYS 17 3HZ LYS 17 11.119 0.922 13.594 137 HZ2 LYS 17 1HZ LYS 17 12.763 0.930 13.992 138 HZ3 LYS 17 2HZ LYS 17 11.797 -0.392 14.414 139 H GLU 18 H GLU 18 7.065 -0.307 11.659 140 HA GLU 18 HA GLU 18 5.636 0.450 9.195 141 HB3 GLU 18 2HB GLU 18 4.593 -0.477 11.861 142 HG3 GLU 18 2HG GLU 18 3.081 0.948 9.693 143 H GLU 19 H GLU 19 4.777 2.496 9.040 144 HA GLU 19 HA GLU 19 4.861 4.318 11.277 145 HB3 GLU 19 2HB GLU 19 6.488 5.076 8.863 146 HG3 GLU 19 2HG GLU 19 5.867 6.924 10.281 147 H THR 20 H THR 20 4.011 6.479 10.683 148 HA THR 20 HA THR 20 2.030 6.217 8.524 149 HB THR 20 HB THR 20 0.935 8.195 9.795 150 HG1 THR 20 1HG THR 20 2.140 8.790 11.440 151 HG21 THR 20 3HG2 THR 20 -0.296 6.244 9.846 152 HG22 THR 20 1HG2 THR 20 0.059 6.464 11.560 153 HG23 THR 20 2HG2 THR 20 1.000 5.319 10.603 154 H PHE 21 H PHE 21 1.606 7.986 7.148 155 HA PHE 21 HA PHE 21 3.653 10.098 7.137 156 HB3 PHE 21 2HB PHE 21 3.890 9.930 4.744 157 HD1 PHE 21 2HD PHE 21 6.053 9.342 5.845 158 HD2 PHE 21 1HD PHE 21 3.065 6.437 4.976 159 HE1 PHE 21 2HE PHE 21 7.729 7.555 6.072 160 HE2 PHE 21 1HE PHE 21 4.736 4.646 5.203 161 HZ PHE 21 HZ PHE 21 7.071 5.204 5.753 162 H ASN 22 H ASN 22 2.986 12.120 6.481 163 HA ASN 22 HA ASN 22 0.091 12.420 6.013 164 HB3 ASN 22 2HB ASN 22 0.363 13.422 8.084 165 HD21 ASN 22 1HD2 ASN 22 1.816 13.193 9.611 166 HD22 ASN 22 2HD2 ASN 22 3.436 13.794 9.577 167 H GLY 23 H GLY 23 -0.526 14.372 4.788 168 HA2 GLY 23 2HA GLY 23 0.417 16.222 3.381 169 HA3 GLY 23 3HA GLY 23 1.522 15.008 2.753 170 H ILE 24 H ILE 24 0.837 13.586 1.192 171 HA ILE 24 HA ILE 24 -1.310 14.415 -0.448 172 HB ILE 24 HB ILE 24 0.225 11.814 -0.480 173 HG13 ILE 24 2HG1 ILE 24 1.531 12.846 -2.262 174 HG21 ILE 24 1HG2 ILE 24 -0.626 12.220 -3.028 175 HG22 ILE 24 2HG2 ILE 24 -1.425 11.172 -1.857 176 HG23 ILE 24 3HG2 ILE 24 -2.001 12.821 -2.100 177 HD11 ILE 24 3HD1 ILE 24 0.762 14.557 -3.427 178 HD12 ILE 24 1HD1 ILE 24 -0.565 14.793 -2.290 179 HD13 ILE 24 2HD1 ILE 24 0.990 15.575 -2.006 180 H SER 25 H SER 25 -3.345 13.609 -0.749 181 HA SER 25 HA SER 25 -4.264 11.632 1.235 182 HB3 SER 25 2HB SER 25 -6.558 12.789 0.739 183 HG SER 25 HG SER 25 -4.789 14.457 2.135 184 H LYS 26 H LYS 26 -3.255 10.468 -0.892 185 HA LYS 26 HA LYS 26 -5.577 9.332 -2.200 186 HB3 LYS 26 2HB LYS 26 -4.482 9.553 -4.469 187 HG3 LYS 26 2HG LYS 26 -5.269 12.146 -3.153 188 HD3 LYS 26 2HD LYS 26 -6.104 12.420 -5.655 189 HE3 LYS 26 2HE LYS 26 -4.401 13.775 -4.262 190 HZ1 LYS 26 3HZ LYS 26 -2.396 12.821 -4.194 191 HZ2 LYS 26 1HZ LYS 26 -2.197 13.416 -5.765 192 HZ3 LYS 26 2HZ LYS 26 -2.700 11.820 -5.523 193 H ILE 27 H ILE 27 -5.153 7.295 -3.195 194 HA ILE 27 HA ILE 27 -3.088 5.815 -1.874 195 HB ILE 27 HB ILE 27 -5.018 4.961 -4.035 196 HG13 ILE 27 2HG1 ILE 27 -6.278 3.937 -2.214 197 HG21 ILE 27 1HG2 ILE 27 -4.451 2.666 -3.341 198 HG22 ILE 27 2HG2 ILE 27 -3.073 3.523 -4.027 199 HG23 ILE 27 3HG2 ILE 27 -3.200 3.315 -2.281 200 HD11 ILE 27 3HD1 ILE 27 -5.767 4.459 0.126 201 HD12 ILE 27 1HD1 ILE 27 -4.541 3.435 -0.622 202 HD13 ILE 27 2HD1 ILE 27 -4.229 5.155 -0.381 203 H SER 28 H SER 28 -3.426 7.372 -4.937 204 HA SER 28 HA SER 28 -1.647 5.921 -6.512 205 HB3 SER 28 2HB SER 28 -2.693 8.698 -6.513 206 HG SER 28 HG SER 28 -1.268 9.307 -8.161 207 H GLU 29 H GLU 29 -0.977 8.790 -4.506 208 HA GLU 29 HA GLU 29 1.849 8.614 -4.911 209 HB3 GLU 29 2HB GLU 29 1.280 10.135 -2.582 210 HG3 GLU 29 2HG GLU 29 2.969 10.871 -4.054 211 H LEU 30 H LEU 30 -0.408 7.400 -2.548 212 HA LEU 30 HA LEU 30 1.419 6.803 -0.486 213 HB3 LEU 30 2HB LEU 30 -1.209 5.524 -1.221 214 HG LEU 30 HG LEU 30 0.419 4.296 0.506 215 HD11 LEU 30 1HD1 LEU 30 -0.921 5.284 2.724 216 HD12 LEU 30 2HD1 LEU 30 -0.394 6.722 1.850 217 HD13 LEU 30 3HD1 LEU 30 0.785 5.504 2.334 218 HD21 LEU 30 3HD2 LEU 30 -1.832 3.589 -0.225 219 HD22 LEU 30 1HD2 LEU 30 -2.536 4.674 0.975 220 HD23 LEU 30 2HD2 LEU 30 -1.550 3.308 1.493 221 H LEU 31 H LEU 31 0.089 4.766 -3.086 222 HA LEU 31 HA LEU 31 1.686 2.504 -2.417 223 HB3 LEU 31 2HB LEU 31 1.017 1.851 -4.845 224 HG LEU 31 HG LEU 31 -1.194 2.286 -2.837 225 HD11 LEU 31 1HD1 LEU 31 -2.390 1.763 -4.696 226 HD12 LEU 31 2HD1 LEU 31 -1.953 0.131 -4.190 227 HD13 LEU 31 3HD1 LEU 31 -1.041 0.932 -5.469 228 HD21 LEU 31 3HD2 LEU 31 0.224 0.912 -1.681 229 HD22 LEU 31 1HD2 LEU 31 0.921 0.214 -3.144 230 HD23 LEU 31 2HD2 LEU 31 -0.683 -0.286 -2.605 231 H GLU 32 H GLU 32 1.988 5.139 -4.749 232 HA GLU 32 HA GLU 32 4.222 4.139 -6.141 233 HB3 GLU 32 2HB GLU 32 3.451 7.026 -5.677 234 HG3 GLU 32 2HG GLU 32 5.163 5.716 -7.767 235 H ARG 33 H ARG 33 3.915 5.970 -3.165 236 HA ARG 33 HA ARG 33 6.717 6.540 -2.939 237 HB3 ARG 33 2HB ARG 33 4.438 6.723 -0.967 238 HG3 ARG 33 2HG ARG 33 7.210 7.843 -0.628 239 HD3 ARG 33 2HD ARG 33 6.461 8.525 1.543 240 HE ARG 33 HE ARG 33 4.180 9.561 0.174 241 HH11 ARG 33 1HH1 ARG 33 7.659 9.614 0.282 242 HH12 ARG 33 2HH1 ARG 33 7.787 11.190 -0.428 243 HH21 ARG 33 1HH2 ARG 33 4.335 11.636 -0.760 244 HH22 ARG 33 2HH2 ARG 33 5.895 12.339 -1.019 245 H LEU 34 H LEU 34 4.490 4.310 -1.282 246 HA LEU 34 HA LEU 34 6.454 3.062 0.307 247 HB3 LEU 34 2HB LEU 34 4.789 1.287 0.625 248 HG LEU 34 HG LEU 34 3.793 4.104 0.821 249 HD11 LEU 34 1HD1 LEU 34 2.226 1.684 1.693 250 HD12 LEU 34 2HD1 LEU 34 1.873 2.620 0.241 251 HD13 LEU 34 3HD1 LEU 34 1.754 3.378 1.829 252 HD21 LEU 34 3HD2 LEU 34 4.595 3.979 2.893 253 HD22 LEU 34 1HD2 LEU 34 5.364 2.465 2.419 254 HD23 LEU 34 2HD2 LEU 34 3.778 2.445 3.191 255 H LYS 35 H LYS 35 5.369 2.528 -2.968 256 HA LYS 35 HA LYS 35 6.271 -0.035 -3.465 257 HB3 LYS 35 2HB LYS 35 6.071 2.422 -5.177 258 HG3 LYS 35 2HG LYS 35 7.362 -0.155 -5.915 259 HD3 LYS 35 2HD LYS 35 5.319 -0.104 -7.275 260 HE3 LYS 35 2HE LYS 35 5.773 1.992 -9.044 261 HZ1 LYS 35 3HZ LYS 35 3.642 1.020 -8.052 262 HZ2 LYS 35 1HZ LYS 35 3.653 2.667 -8.443 263 HZ3 LYS 35 2HZ LYS 35 3.828 2.179 -6.833 264 H VAL 36 H VAL 36 8.107 3.002 -3.754 265 HA VAL 36 HA VAL 36 10.562 1.656 -4.367 266 HB VAL 36 HB VAL 36 10.154 4.511 -3.470 267 HG11 VAL 36 1HG1 VAL 36 12.319 4.677 -4.947 268 HG12 VAL 36 2HG1 VAL 36 12.417 4.204 -3.250 269 HG13 VAL 36 3HG1 VAL 36 12.484 2.976 -4.515 270 HG21 VAL 36 3HG2 VAL 36 9.110 4.785 -5.422 271 HG22 VAL 36 1HG2 VAL 36 10.673 4.501 -6.188 272 HG23 VAL 36 2HG2 VAL 36 9.542 3.165 -5.967 273 H GLU 37 H GLU 37 9.078 3.006 -1.477 274 HA GLU 37 HA GLU 37 11.231 3.044 0.255 275 HB3 GLU 37 2HB GLU 37 8.526 2.079 1.143 276 HG3 GLU 37 2HG GLU 37 10.559 2.563 2.703 277 H TYR 38 H TYR 38 9.014 0.336 -0.392 278 HA TYR 38 HA TYR 38 10.809 -1.462 1.056 279 HB3 TYR 38 2HB TYR 38 9.018 -3.057 1.037 280 HD1 TYR 38 2HD TYR 38 9.559 -1.697 3.266 281 HD2 TYR 38 1HD TYR 38 6.379 -0.814 0.581 282 HE1 TYR 38 2HE TYR 38 8.369 -0.526 5.071 283 HE2 TYR 38 1HE TYR 38 5.181 0.361 2.378 284 HH TYR 38 HH TYR 38 6.336 1.556 4.886 285 H GLY 39 H GLY 39 10.292 -0.380 -2.065 286 HA2 GLY 39 2HA GLY 39 11.613 -1.033 -3.906 287 HA3 GLY 39 3HA GLY 39 11.886 -2.586 -3.130 288 H SER 40 H SER 40 11.304 -2.610 -5.752 289 HA SER 40 HA SER 40 8.581 -2.706 -6.437 290 HB3 SER 40 2HB SER 40 9.331 -4.003 -8.411 291 HG SER 40 HG SER 40 10.648 -2.396 -9.221 292 H GLU 41 H GLU 41 10.724 -5.067 -4.997 293 HA GLU 41 HA GLU 41 9.332 -7.416 -5.417 294 HB3 GLU 41 2HB GLU 41 10.442 -8.295 -3.476 295 HG3 GLU 41 2HG GLU 41 12.376 -6.190 -4.336 296 H PHE 42 H PHE 42 8.646 -4.797 -3.203 297 HA PHE 42 HA PHE 42 6.667 -6.219 -1.700 298 HB3 PHE 42 2HB PHE 42 7.359 -3.288 -1.925 299 HD1 PHE 42 2HD PHE 42 5.115 -2.385 -2.157 300 HD2 PHE 42 1HD PHE 42 6.135 -4.975 1.065 301 HE1 PHE 42 2HE PHE 42 3.068 -1.711 -0.971 302 HE2 PHE 42 1HE PHE 42 4.088 -4.304 2.255 303 HZ PHE 42 HZ PHE 42 2.553 -2.670 1.238 304 H THR 43 H THR 43 6.497 -3.634 -4.145 305 HA THR 43 HA THR 43 3.712 -3.525 -4.346 306 HB THR 43 HB THR 43 5.223 -3.077 -6.851 307 HG1 THR 43 1HG THR 43 5.842 -1.800 -4.402 308 HG21 THR 43 3HG2 THR 43 3.367 -1.881 -7.171 309 HG22 THR 43 1HG2 THR 43 3.952 -0.748 -5.953 310 HG23 THR 43 2HG2 THR 43 2.890 -2.075 -5.485 311 H LYS 44 H LYS 44 6.065 -5.573 -5.991 312 HA LYS 44 HA LYS 44 4.160 -6.751 -7.772 313 HB3 LYS 44 2HB LYS 44 5.994 -8.401 -8.204 314 HG3 LYS 44 2HG LYS 44 7.747 -6.666 -8.914 315 HD3 LYS 44 2HD LYS 44 5.901 -5.624 -10.526 316 HE3 LYS 44 2HE LYS 44 7.708 -7.481 -10.869 317 HZ1 LYS 44 3HZ LYS 44 6.984 -9.477 -10.226 318 HZ2 LYS 44 1HZ LYS 44 6.058 -9.469 -11.644 319 HZ3 LYS 44 2HZ LYS 44 5.362 -8.998 -10.175 320 H GLN 45 H GLN 45 5.240 -7.383 -4.538 321 HA GLN 45 HA GLN 45 4.215 -10.076 -4.454 322 HB3 GLN 45 2HB GLN 45 5.119 -8.260 -2.212 323 HG3 GLN 45 2HG GLN 45 3.681 -10.420 -1.755 324 HE21 GLN 45 1HE2 GLN 45 3.934 -12.593 -1.125 325 HE22 GLN 45 2HE2 GLN 45 5.166 -13.588 -1.814 326 H MET 46 H MET 46 3.123 -6.868 -3.556 327 HA MET 46 HA MET 46 0.644 -7.996 -2.465 328 HB3 MET 46 2HB MET 46 1.867 -6.336 -1.087 329 HG3 MET 46 2HG MET 46 1.787 -4.791 -3.538 330 HE1 MET 46 3HE MET 46 -0.641 -3.875 -3.778 331 HE2 MET 46 1HE MET 46 -0.822 -2.178 -3.330 332 HE3 MET 46 2HE MET 46 0.571 -2.696 -4.280 333 H TYR 47 H TYR 47 1.728 -7.230 -5.381 334 HA TYR 47 HA TYR 47 -0.830 -6.932 -6.533 335 HB3 TYR 47 2HB TYR 47 0.608 -4.481 -7.245 336 HD1 TYR 47 2HD TYR 47 -2.447 -5.785 -5.525 337 HD2 TYR 47 1HD TYR 47 -0.837 -3.159 -8.460 338 HE1 TYR 47 2HE TYR 47 -4.725 -5.124 -6.176 339 HE2 TYR 47 1HE TYR 47 -3.111 -2.491 -9.118 340 HH TYR 47 HH TYR 47 -5.307 -2.997 -8.925 341 H ASP 48 H ASP 48 -0.235 -8.496 -7.959 342 HA ASP 48 HA ASP 48 1.967 -7.837 -9.804 343 HB3 ASP 48 2HB ASP 48 0.992 -10.633 -9.232 344 H GLY 49 H GLY 49 0.725 -6.791 -11.338 345 HA2 GLY 49 2HA GLY 49 -0.357 -6.875 -13.401 346 HA3 GLY 49 3HA GLY 49 -0.807 -8.542 -13.069 347 H ASN 50 H ASN 50 -1.415 -5.605 -11.169 348 HA ASN 50 HA ASN 50 -3.341 -4.612 -10.475 349 HB3 ASN 50 2HB ASN 50 -5.319 -5.703 -12.204 350 HD21 ASN 50 1HD2 ASN 50 -4.599 -3.731 -14.321 351 HD22 ASN 50 2HD2 ASN 50 -4.962 -2.189 -13.630 352 H ASN 51 H ASN 51 -2.587 -7.592 -9.954 353 HA ASN 51 HA ASN 51 -4.837 -8.086 -8.207 354 HB3 ASN 51 2HB ASN 51 -4.085 -10.191 -10.244 355 HD21 ASN 51 1HD2 ASN 51 -6.939 -9.117 -8.435 356 HD22 ASN 51 2HD2 ASN 51 -7.289 -10.661 -7.741 357 H LEU 52 H LEU 52 -4.369 -9.543 -6.532 358 HA LEU 52 HA LEU 52 -1.698 -9.621 -5.686 359 HB3 LEU 52 2HB LEU 52 -2.476 -11.052 -3.890 360 HG LEU 52 HG LEU 52 -3.824 -9.612 -2.781 361 HD11 LEU 52 1HD1 LEU 52 -3.398 -7.421 -3.425 362 HD12 LEU 52 2HD1 LEU 52 -3.499 -7.800 -5.144 363 HD13 LEU 52 3HD1 LEU 52 -2.103 -8.328 -4.205 364 HD21 LEU 52 3HD2 LEU 52 -5.697 -10.345 -4.562 365 HD22 LEU 52 1HD2 LEU 52 -5.476 -8.659 -5.033 366 HD23 LEU 52 2HD2 LEU 52 -5.932 -9.059 -3.376 367 H PHE 53 H PHE 53 -0.413 -11.558 -5.196 368 HA PHE 53 HA PHE 53 -0.207 -13.235 -7.517 369 HB3 PHE 53 2HB PHE 53 1.349 -13.120 -4.931 370 HD1 PHE 53 1HD PHE 53 1.720 -14.443 -8.405 371 HD2 PHE 53 2HD PHE 53 2.395 -15.031 -4.244 372 HE1 PHE 53 1HE PHE 53 2.840 -16.579 -8.892 373 HE2 PHE 53 2HE PHE 53 3.517 -17.168 -4.724 374 HZ PHE 53 HZ PHE 53 3.740 -17.945 -7.051 375 H LYS 54 H LYS 54 -0.401 -14.063 -4.052 376 HA LYS 54 HA LYS 54 -1.473 -16.675 -4.724 377 HB3 LYS 54 2HB LYS 54 -0.810 -15.425 -2.051 378 HG3 LYS 54 2HG LYS 54 -2.478 -17.267 -1.892 379 HD3 LYS 54 2HD LYS 54 -1.075 -19.555 -2.175 380 HE3 LYS 54 2HE LYS 54 -2.431 -18.494 -4.609 381 HZ1 LYS 54 3HZ LYS 54 -2.056 -21.035 -3.295 382 HZ2 LYS 54 1HZ LYS 54 -2.330 -20.690 -4.929 383 HZ3 LYS 54 2HZ LYS 54 -3.632 -20.775 -3.852 384 H ASN 55 H ASN 55 -2.466 -13.973 -2.614 385 HA ASN 55 HA ASN 55 -5.009 -13.586 -3.430 386 HB3 ASN 55 2HB ASN 55 -5.980 -15.168 -1.364 387 HD21 ASN 55 1HD2 ASN 55 -7.096 -13.788 -3.345 388 HD22 ASN 55 2HD2 ASN 55 -7.843 -14.838 -4.496 389 H VAL 56 H VAL 56 -3.090 -12.091 -2.197 390 HA VAL 56 HA VAL 56 -3.459 -11.752 0.588 391 HB VAL 56 HB VAL 56 -2.570 -9.564 -1.279 392 HG11 VAL 56 1HG1 VAL 56 -1.244 -8.839 0.595 393 HG12 VAL 56 2HG1 VAL 56 -2.915 -9.051 1.123 394 HG13 VAL 56 3HG1 VAL 56 -1.700 -10.268 1.522 395 HG21 VAL 56 3HG2 VAL 56 -1.159 -11.192 -2.059 396 HG22 VAL 56 1HG2 VAL 56 -0.234 -10.620 -0.671 397 HG23 VAL 56 2HG2 VAL 56 -1.187 -12.098 -0.546 398 H ILE 57 H ILE 57 -4.762 -10.406 1.751 399 HA ILE 57 HA ILE 57 -6.848 -8.974 0.239 400 HB ILE 57 HB ILE 57 -7.084 -10.282 2.950 401 HG13 ILE 57 2HG1 ILE 57 -7.090 -11.645 0.699 402 HG21 ILE 57 1HG2 ILE 57 -9.617 -9.629 2.026 403 HG22 ILE 57 2HG2 ILE 57 -8.722 -8.820 3.311 404 HG23 ILE 57 3HG2 ILE 57 -8.637 -8.210 1.659 405 HD11 ILE 57 3HD1 ILE 57 -9.520 -12.219 2.299 406 HD12 ILE 57 1HD1 ILE 57 -8.282 -13.313 1.683 407 HD13 ILE 57 2HD1 ILE 57 -7.950 -12.312 3.096 408 H ILE 58 H ILE 58 -6.416 -6.866 0.302 409 HA ILE 58 HA ILE 58 -5.622 -5.690 2.886 410 HB ILE 58 HB ILE 58 -3.729 -5.193 1.735 411 HG13 ILE 58 2HG1 ILE 58 -4.976 -3.053 2.215 412 HG21 ILE 58 1HG2 ILE 58 -4.209 -6.437 -0.245 413 HG22 ILE 58 2HG2 ILE 58 -5.376 -5.231 -0.785 414 HG23 ILE 58 3HG2 ILE 58 -3.659 -4.836 -0.739 415 HD11 ILE 58 3HD1 ILE 58 -2.908 -2.351 1.718 416 HD12 ILE 58 1HD1 ILE 58 -2.811 -3.329 0.254 417 HD13 ILE 58 2HD1 ILE 58 -3.670 -1.789 0.230 418 H LEU 59 H LEU 59 -6.762 -3.975 3.610 419 HA LEU 59 HA LEU 59 -8.935 -2.989 1.881 420 HB3 LEU 59 2HB LEU 59 -9.941 -2.337 4.180 421 HG LEU 59 HG LEU 59 -11.021 -4.465 4.554 422 HD11 LEU 59 1HD1 LEU 59 -11.065 -4.808 1.728 423 HD12 LEU 59 2HD1 LEU 59 -10.949 -3.086 2.088 424 HD13 LEU 59 3HD1 LEU 59 -12.265 -4.042 2.771 425 HD21 LEU 59 3HD2 LEU 59 -8.746 -5.695 4.130 426 HD22 LEU 59 1HD2 LEU 59 -9.346 -5.792 2.476 427 HD23 LEU 59 2HD2 LEU 59 -10.278 -6.501 3.795 428 H VAL 60 H VAL 60 -9.636 -0.747 2.314 429 HA VAL 60 HA VAL 60 -7.518 0.974 3.392 430 HB VAL 60 HB VAL 60 -8.813 1.371 0.691 431 HG11 VAL 60 1HG1 VAL 60 -7.384 3.338 0.498 432 HG12 VAL 60 2HG1 VAL 60 -8.474 3.483 1.879 433 HG13 VAL 60 3HG1 VAL 60 -6.778 3.069 2.132 434 HG21 VAL 60 3HG2 VAL 60 -7.166 -0.234 0.345 435 HG22 VAL 60 1HG2 VAL 60 -6.322 1.278 0.010 436 HG23 VAL 60 2HG2 VAL 60 -6.093 0.464 1.558 437 H ASN 61 H ASN 61 -8.529 1.955 5.027 438 HA ASN 61 HA ASN 61 -10.000 3.249 6.182 439 HB3 ASN 61 2HB ASN 61 -11.117 3.992 3.470 440 HD21 ASN 61 1HD2 ASN 61 -10.463 5.009 6.798 441 HD22 ASN 61 2HD2 ASN 61 -11.813 6.081 6.918 442 H GLY 62 H GLY 62 -10.631 0.498 5.673 443 HA2 GLY 62 2HA GLY 62 -12.369 -0.940 6.116 444 HA3 GLY 62 3HA GLY 62 -13.323 0.467 6.561 445 H ASN 63 H ASN 63 -11.838 -0.152 3.421 446 HA ASN 63 HA ASN 63 -14.050 -1.246 2.117 447 HB3 ASN 63 2HB ASN 63 -14.017 1.496 1.110 448 HD21 ASN 63 1HD2 ASN 63 -16.654 1.253 2.975 449 HD22 ASN 63 2HD2 ASN 63 -17.730 0.453 1.887 450 H ASN 64 H ASN 64 -13.215 -2.155 0.364 451 HA ASN 64 HA ASN 64 -10.609 -1.677 -0.538 452 HB3 ASN 64 2HB ASN 64 -11.534 -3.811 -0.987 453 HD21 ASN 64 1HD2 ASN 64 -13.591 -4.079 -0.108 454 HD22 ASN 64 2HD2 ASN 64 -15.017 -3.975 -1.077 455 H ILE 65 H ILE 65 -9.757 -0.275 -1.944 456 HA ILE 65 HA ILE 65 -11.119 1.973 -2.844 457 HB ILE 65 HB ILE 65 -9.199 2.456 -4.238 458 HG13 ILE 65 2HG1 ILE 65 -8.883 0.243 -5.232 459 HG21 ILE 65 1HG2 ILE 65 -7.641 1.298 -2.103 460 HG22 ILE 65 2HG2 ILE 65 -8.013 2.989 -2.435 461 HG23 ILE 65 3HG2 ILE 65 -9.136 2.008 -1.492 462 HD11 ILE 65 3HD1 ILE 65 -6.739 1.834 -4.262 463 HD12 ILE 65 1HD1 ILE 65 -6.283 0.135 -4.151 464 HD13 ILE 65 2HD1 ILE 65 -6.802 0.810 -5.696 465 H THR 66 H THR 66 -10.686 -1.154 -4.346 466 HA THR 66 HA THR 66 -11.341 -0.543 -6.984 467 HB THR 66 HB THR 66 -12.176 -2.925 -7.112 468 HG1 THR 66 1HG THR 66 -12.716 -2.857 -4.736 469 HG21 THR 66 3HG2 THR 66 -9.774 -3.725 -6.108 470 HG22 THR 66 1HG2 THR 66 -9.493 -2.002 -6.353 471 HG23 THR 66 2HG2 THR 66 -10.004 -3.014 -7.704 472 H SER 67 H SER 67 -13.348 -0.784 -4.160 473 HA SER 67 HA SER 67 -15.841 -1.307 -5.193 474 HB3 SER 67 2HB SER 67 -15.303 0.797 -3.088 475 HG SER 67 HG SER 67 -17.315 -0.725 -2.450 476 H MET 68 H MET 68 -14.141 1.802 -5.096 477 HA MET 68 HA MET 68 -16.120 2.843 -7.015 478 HB3 MET 68 2HB MET 68 -16.532 4.374 -5.415 479 HG3 MET 68 2HG MET 68 -13.828 3.862 -4.198 480 HE1 MET 68 3HE MET 68 -13.209 6.767 -3.149 481 HE2 MET 68 1HE MET 68 -13.780 6.313 -4.755 482 HE3 MET 68 2HE MET 68 -14.594 7.597 -3.859 483 H LYS 69 H LYS 69 -12.959 4.010 -5.882 484 HA LYS 69 HA LYS 69 -12.004 3.876 -8.667 485 HB3 LYS 69 2HB LYS 69 -10.571 5.920 -7.914 486 HG3 LYS 69 2HG LYS 69 -12.459 7.519 -8.393 487 HD3 LYS 69 2HD LYS 69 -12.431 5.300 -10.407 488 HE3 LYS 69 2HE LYS 69 -12.263 7.150 -11.982 489 HZ1 LYS 69 3HZ LYS 69 -14.386 8.044 -10.167 490 HZ2 LYS 69 1HZ LYS 69 -14.476 6.478 -10.801 491 HZ3 LYS 69 2HZ LYS 69 -14.429 7.810 -11.842 492 H GLY 70 H GLY 70 -10.092 2.901 -8.985 493 HA2 GLY 70 2HA GLY 70 -8.872 1.380 -6.976 494 HA3 GLY 70 3HA GLY 70 -8.158 1.750 -8.538 495 H LEU 71 H LEU 71 -6.572 3.269 -8.683 496 HA LEU 71 HA LEU 71 -5.294 4.047 -6.236 497 HB3 LEU 71 2HB LEU 71 -4.167 5.424 -8.441 498 HG LEU 71 HG LEU 71 -2.889 4.355 -6.559 499 HD11 LEU 71 1HD1 LEU 71 -3.957 2.191 -6.528 500 HD12 LEU 71 2HD1 LEU 71 -2.237 1.998 -6.869 501 HD13 LEU 71 3HD1 LEU 71 -3.417 1.865 -8.175 502 HD21 LEU 71 3HD2 LEU 71 -1.756 3.362 -9.127 503 HD22 LEU 71 1HD2 LEU 71 -0.977 4.246 -7.814 504 HD23 LEU 71 2HD2 LEU 71 -2.043 5.092 -8.936 505 H ASP 72 H ASP 72 -7.643 5.434 -8.265 506 HA ASP 72 HA ASP 72 -7.033 8.186 -7.747 507 HB3 ASP 72 2HB ASP 72 -9.647 8.227 -8.472 508 H THR 73 H THR 73 -8.352 5.721 -5.891 509 HA THR 73 HA THR 73 -10.363 7.021 -4.436 510 HB THR 73 HB THR 73 -8.770 4.589 -4.121 511 HG1 THR 73 1HG THR 73 -11.385 5.169 -3.175 512 HG21 THR 73 3HG2 THR 73 -8.070 5.528 -2.036 513 HG22 THR 73 1HG2 THR 73 -9.346 4.363 -1.687 514 HG23 THR 73 2HG2 THR 73 -9.702 6.090 -1.677 515 H GLU 74 H GLU 74 -10.319 8.585 -2.957 516 HA GLU 74 HA GLU 74 -7.796 9.745 -2.181 517 HB3 GLU 74 2HB GLU 74 -9.885 11.057 -2.756 518 HG3 GLU 74 2HG GLU 74 -10.702 10.598 0.085 519 H ILE 75 H ILE 75 -7.360 10.315 0.110 520 HA ILE 75 HA ILE 75 -8.482 8.469 2.072 521 HB ILE 75 HB ILE 75 -6.094 8.009 2.887 522 HG13 ILE 75 2HG1 ILE 75 -4.989 9.666 1.432 523 HG21 ILE 75 1HG2 ILE 75 -7.476 6.263 1.996 524 HG22 ILE 75 2HG2 ILE 75 -7.150 6.787 0.345 525 HG23 ILE 75 3HG2 ILE 75 -5.855 6.094 1.320 526 HD11 ILE 75 3HD1 ILE 75 -4.114 7.020 1.801 527 HD12 ILE 75 1HD1 ILE 75 -3.721 7.469 0.142 528 HD13 ILE 75 2HD1 ILE 75 -3.144 8.458 1.483 529 H LYS 76 H LYS 76 -8.608 9.314 4.080 530 HA LYS 76 HA LYS 76 -7.476 12.002 4.461 531 HB3 LYS 76 2HB LYS 76 -9.803 12.176 4.672 532 HG3 LYS 76 2HG LYS 76 -9.801 9.724 6.421 533 HD3 LYS 76 2HD LYS 76 -12.247 9.938 6.296 534 HE3 LYS 76 2HE LYS 76 -11.398 12.603 7.287 535 HZ1 LYS 76 3HZ LYS 76 -13.429 12.096 8.130 536 HZ2 LYS 76 1HZ LYS 76 -12.477 11.388 9.337 537 HZ3 LYS 76 2HZ LYS 76 -13.159 10.426 8.125 538 H ASP 77 H ASP 77 -7.203 12.485 6.931 539 HA ASP 77 HA ASP 77 -5.037 11.021 7.866 540 HB3 ASP 77 2HB ASP 77 -5.720 13.345 8.573 541 H ASP 78 H ASP 78 -8.433 10.447 8.230 542 HA ASP 78 HA ASP 78 -8.158 8.611 10.431 543 HB3 ASP 78 2HB ASP 78 -10.565 8.116 9.964 544 H ASP 79 H ASP 79 -8.047 8.450 6.981 545 HA ASP 79 HA ASP 79 -8.780 5.874 6.398 546 HB3 ASP 79 2HB ASP 79 -7.686 7.840 4.951 547 H LYS 80 H LYS 80 -7.735 3.871 6.320 548 HA LYS 80 HA LYS 80 -5.134 3.593 7.591 549 HB3 LYS 80 2HB LYS 80 -6.725 3.514 9.469 550 HG3 LYS 80 2HG LYS 80 -7.818 0.959 8.347 551 HD3 LYS 80 2HD LYS 80 -7.916 1.448 10.806 552 HE3 LYS 80 2HE LYS 80 -9.419 3.805 9.755 553 HZ1 LYS 80 3HZ LYS 80 -10.340 2.117 11.843 554 HZ2 LYS 80 1HZ LYS 80 -11.065 3.496 11.185 555 HZ3 LYS 80 2HZ LYS 80 -9.953 3.648 12.449 556 H ILE 81 H ILE 81 -3.974 2.091 6.574 557 HA ILE 81 HA ILE 81 -5.380 0.239 4.778 558 HB ILE 81 HB ILE 81 -2.486 1.100 4.764 559 HG13 ILE 81 2HG1 ILE 81 -4.935 2.070 3.409 560 HG21 ILE 81 1HG2 ILE 81 -2.765 -0.011 2.385 561 HG22 ILE 81 2HG2 ILE 81 -2.337 -0.966 3.804 562 HG23 ILE 81 3HG2 ILE 81 -4.003 -0.942 3.227 563 HD11 ILE 81 3HD1 ILE 81 -3.873 3.620 4.836 564 HD12 ILE 81 1HD1 ILE 81 -2.290 3.291 4.131 565 HD13 ILE 81 2HD1 ILE 81 -3.521 4.129 3.185 566 H ASP 82 H ASP 82 -5.076 -1.944 4.879 567 HA ASP 82 HA ASP 82 -3.227 -2.986 6.906 568 HB3 ASP 82 2HB ASP 82 -5.907 -2.830 7.399 569 H LEU 83 H LEU 83 -2.524 -5.139 6.558 570 HA LEU 83 HA LEU 83 -3.111 -6.207 3.878 571 HB3 LEU 83 2HB LEU 83 -0.604 -7.073 4.227 572 HG LEU 83 HG LEU 83 0.292 -5.156 2.949 573 HD11 LEU 83 1HD1 LEU 83 -2.040 -6.766 2.180 574 HD12 LEU 83 2HD1 LEU 83 -0.476 -6.576 1.390 575 HD13 LEU 83 3HD1 LEU 83 -1.732 -5.359 1.164 576 HD21 LEU 83 3HD2 LEU 83 -1.414 -3.582 4.187 577 HD22 LEU 83 1HD2 LEU 83 -2.438 -3.978 2.807 578 HD23 LEU 83 2HD2 LEU 83 -0.866 -3.222 2.549 579 H PHE 84 H PHE 84 -3.814 -8.234 3.889 580 HA PHE 84 HA PHE 84 -3.158 -9.934 6.205 581 HB3 PHE 84 2HB PHE 84 -5.416 -11.046 5.688 582 HD1 PHE 84 2HD PHE 84 -4.031 -9.937 7.999 583 HD2 PHE 84 1HD PHE 84 -7.398 -8.453 5.860 584 HE1 PHE 84 2HE PHE 84 -4.790 -8.756 10.019 585 HE2 PHE 84 1HE PHE 84 -8.162 -7.269 7.877 586 HZ PHE 84 HZ PHE 84 -6.856 -7.418 9.960 587 HA PRO 85 HA PRO 85 -1.498 -12.808 3.317 588 HB3 PRO 85 2HB PRO 85 -0.499 -13.816 5.123 589 HG3 PRO 85 2HG PRO 85 -1.566 -13.908 7.188 590 HD3 PRO 85 2HD PRO 85 -1.801 -11.664 6.718 591 HA PRO 86 HA PRO 86 -4.750 -14.825 1.147 592 HB3 PRO 86 2HB PRO 86 -3.207 -15.321 -0.482 593 HG3 PRO 86 2HG PRO 86 -1.024 -15.897 0.069 594 HD3 PRO 86 2HD PRO 86 -1.254 -13.975 1.320 595 H VAL 87 H VAL 87 -6.238 -16.506 1.264 596 HA VAL 87 HA VAL 87 -6.637 -17.757 3.703 597 HB VAL 87 HB VAL 87 -8.180 -19.315 2.415 598 HG11 VAL 87 1HG1 VAL 87 -8.843 -17.148 3.461 599 HG12 VAL 87 2HG1 VAL 87 -8.585 -16.374 1.897 600 HG13 VAL 87 3HG1 VAL 87 -9.826 -17.614 2.075 601 HG21 VAL 87 3HG2 VAL 87 -7.480 -17.518 0.099 602 HG22 VAL 87 1HG2 VAL 87 -6.864 -19.160 0.292 603 HG23 VAL 87 2HG2 VAL 87 -8.596 -18.883 0.101 604 H ALA 88 H ALA 88 -4.749 -18.785 0.963 605 HA ALA 88 HA ALA 88 -4.437 -21.492 1.957 606 HB1 ALA 88 1HB ALA 88 -3.921 -20.095 -0.529 607 HB2 ALA 88 2HB ALA 88 -2.570 -21.124 -0.053 608 HB3 ALA 88 3HB ALA 88 -4.183 -21.814 -0.231 609 H GLY 89 H GLY 89 -2.124 -18.893 1.130 610 HA2 GLY 89 2HA GLY 89 0.101 -19.982 2.375 611 HA3 GLY 89 3HA GLY 89 -0.152 -18.261 2.122 612 H GLY 90 H GLY 90 1.232 -19.220 4.325 613 HA2 GLY 90 2HA GLY 90 1.243 -18.378 6.530 614 HA3 GLY 90 3HA GLY 90 -0.508 -18.242 6.462 Start of MODEL 18 1 H1 MET 1 H MET 1 -3.737 12.123 6.850 2 HA MET 1 HA MET 1 -1.091 11.534 7.361 3 HB3 MET 1 2HB MET 1 -2.854 11.211 9.787 4 HG3 MET 1 2HG MET 1 -0.248 9.877 9.154 5 HE1 MET 1 3HE MET 1 0.806 11.762 10.225 6 HE2 MET 1 1HE MET 1 0.431 12.391 11.829 7 HE3 MET 1 2HE MET 1 1.691 11.173 11.632 8 H VAL 2 H VAL 2 -0.632 9.463 6.770 9 HA VAL 2 HA VAL 2 -2.929 7.656 6.381 10 HB VAL 2 HB VAL 2 -1.665 6.709 4.437 11 HG11 VAL 2 1HG1 VAL 2 -2.171 8.644 2.917 12 HG12 VAL 2 2HG1 VAL 2 -3.495 8.159 3.977 13 HG13 VAL 2 3HG1 VAL 2 -2.537 9.590 4.358 14 HG21 VAL 2 3HG2 VAL 2 0.357 8.448 5.420 15 HG22 VAL 2 1HG2 VAL 2 0.439 7.314 4.072 16 HG23 VAL 2 2HG2 VAL 2 -0.084 8.976 3.796 17 H THR 3 H THR 3 -2.775 5.678 7.238 18 HA THR 3 HA THR 3 -0.165 4.856 8.331 19 HB THR 3 HB THR 3 -2.774 3.752 9.323 20 HG1 THR 3 1HG THR 3 -3.072 5.924 9.640 21 HG21 THR 3 3HG2 THR 3 0.046 3.928 10.291 22 HG22 THR 3 1HG2 THR 3 -1.045 2.544 10.261 23 HG23 THR 3 2HG2 THR 3 -1.264 3.814 11.465 24 H VAL 4 H VAL 4 0.676 2.932 7.758 25 HA VAL 4 HA VAL 4 -0.981 1.175 6.065 26 HB VAL 4 HB VAL 4 1.219 0.449 5.038 27 HG11 VAL 4 1HG1 VAL 4 -0.363 2.812 4.565 28 HG12 VAL 4 2HG1 VAL 4 1.300 3.043 4.020 29 HG13 VAL 4 3HG1 VAL 4 0.350 1.687 3.409 30 HG21 VAL 4 3HG2 VAL 4 3.062 2.106 5.172 31 HG22 VAL 4 1HG2 VAL 4 2.174 2.935 6.451 32 HG23 VAL 4 2HG2 VAL 4 2.747 1.286 6.700 33 H ARG 5 H ARG 5 -1.057 -0.953 6.546 34 HA ARG 5 HA ARG 5 0.532 -1.855 8.856 35 HB3 ARG 5 2HB ARG 5 -1.946 -3.285 8.007 36 HG3 ARG 5 2HG ARG 5 -0.421 -3.917 9.985 37 HD3 ARG 5 2HD ARG 5 -2.103 -1.993 11.515 38 HE ARG 5 HE ARG 5 0.209 -3.610 12.087 39 HH11 ARG 5 1HH1 ARG 5 -1.681 -0.850 13.051 40 HH12 ARG 5 2HH1 ARG 5 -1.145 -0.895 14.699 41 HH21 ARG 5 1HH2 ARG 5 0.921 -3.680 14.253 42 HH22 ARG 5 2HH2 ARG 5 0.335 -2.505 15.381 43 H TYR 6 H TYR 6 1.700 -3.712 8.726 44 HA TYR 6 HA TYR 6 1.546 -5.245 6.220 45 HB3 TYR 6 2HB TYR 6 3.973 -5.415 6.157 46 HD1 TYR 6 2HD TYR 6 1.933 -3.825 4.701 47 HD2 TYR 6 1HD TYR 6 5.285 -2.577 7.005 48 HE1 TYR 6 2HE TYR 6 2.050 -1.747 3.392 49 HE2 TYR 6 1HE TYR 6 5.411 -0.493 5.703 50 HH TYR 6 HH TYR 6 4.323 0.821 4.220 51 H TYR 7 H TYR 7 0.946 -7.244 6.692 52 HA TYR 7 HA TYR 7 1.285 -8.352 9.324 53 HB3 TYR 7 2HB TYR 7 0.429 -10.440 7.777 54 HD1 TYR 7 2HD TYR 7 -1.096 -7.149 8.704 55 HD2 TYR 7 1HD TYR 7 -1.211 -11.385 9.084 56 HE1 TYR 7 2HE TYR 7 -3.003 -6.953 10.244 57 HE2 TYR 7 1HE TYR 7 -3.120 -11.201 10.624 58 HH TYR 7 HH TYR 7 -4.971 -8.516 10.943 59 H ALA 8 H ALA 8 1.902 -10.901 9.147 60 HA ALA 8 HA ALA 8 4.662 -11.020 9.009 61 HB1 ALA 8 1HB ALA 8 2.518 -13.097 8.985 62 HB2 ALA 8 2HB ALA 8 4.197 -13.574 8.732 63 HB3 ALA 8 3HB ALA 8 3.731 -12.745 10.217 64 H THR 9 H THR 9 2.307 -11.385 6.474 65 HA THR 9 HA THR 9 3.875 -12.723 4.566 66 HB THR 9 HB THR 9 1.563 -12.590 4.108 67 HG1 THR 9 1HG THR 9 1.764 -12.098 2.037 68 HG21 THR 9 3HG2 THR 9 0.844 -10.008 3.533 69 HG22 THR 9 1HG2 THR 9 1.893 -9.802 4.934 70 HG23 THR 9 2HG2 THR 9 0.481 -10.854 5.036 71 H LEU 10 H LEU 10 3.879 -9.435 5.657 72 HA LEU 10 HA LEU 10 5.752 -8.713 3.502 73 HB3 LEU 10 2HB LEU 10 5.197 -6.331 4.362 74 HG LEU 10 HG LEU 10 3.256 -6.043 2.965 75 HD11 LEU 10 1HD1 LEU 10 4.233 -6.579 0.959 76 HD12 LEU 10 2HD1 LEU 10 4.789 -8.154 1.525 77 HD13 LEU 10 3HD1 LEU 10 5.618 -6.689 2.048 78 HD21 LEU 10 3HD2 LEU 10 2.035 -8.044 3.805 79 HD22 LEU 10 1HD2 LEU 10 3.080 -9.047 2.799 80 HD23 LEU 10 2HD2 LEU 10 2.003 -7.869 2.049 81 H ARG 11 H ARG 11 6.082 -10.036 6.275 82 HA ARG 11 HA ARG 11 7.478 -8.301 7.968 83 HB3 ARG 11 2HB ARG 11 7.333 -11.250 7.613 84 HG3 ARG 11 2HG ARG 11 9.723 -10.946 7.986 85 HD3 ARG 11 2HD ARG 11 9.668 -10.023 10.683 86 HE ARG 11 HE ARG 11 10.886 -8.334 8.702 87 HH11 ARG 11 1HH1 ARG 11 11.157 -11.317 10.478 88 HH12 ARG 11 2HH1 ARG 11 12.879 -11.410 10.311 89 HH21 ARG 11 1HH2 ARG 11 13.153 -8.446 8.477 90 HH22 ARG 11 2HH2 ARG 11 14.013 -9.777 9.174 91 HA PRO 12 HA PRO 12 11.545 -9.809 5.831 92 HB3 PRO 12 2HB PRO 12 11.318 -11.969 5.081 93 HG3 PRO 12 2HG PRO 12 9.282 -12.752 4.276 94 HD3 PRO 12 2HD PRO 12 8.590 -11.822 6.268 95 H ILE 13 H ILE 13 8.883 -8.312 4.428 96 HA ILE 13 HA ILE 13 10.539 -7.008 2.372 97 HB ILE 13 HB ILE 13 7.557 -6.748 2.467 98 HG13 ILE 13 2HG1 ILE 13 7.919 -9.143 2.575 99 HG21 ILE 13 1HG2 ILE 13 7.734 -6.062 0.285 100 HG22 ILE 13 2HG2 ILE 13 9.264 -5.480 0.938 101 HG23 ILE 13 3HG2 ILE 13 9.218 -6.974 0.004 102 HD11 ILE 13 3HD1 ILE 13 6.667 -7.916 0.375 103 HD12 ILE 13 1HD1 ILE 13 7.548 -9.314 -0.240 104 HD13 ILE 13 2HD1 ILE 13 6.366 -9.515 1.053 105 H THR 14 H THR 14 9.248 -6.559 5.417 106 HA THR 14 HA THR 14 9.331 -3.628 5.109 107 HB THR 14 HB THR 14 7.056 -4.607 5.672 108 HG1 THR 14 1HG THR 14 8.085 -2.412 6.335 109 HG21 THR 14 3HG2 THR 14 8.417 -6.103 7.493 110 HG22 THR 14 1HG2 THR 14 6.685 -5.784 7.559 111 HG23 THR 14 2HG2 THR 14 7.799 -4.801 8.509 112 H LYS 15 H LYS 15 10.795 -6.306 6.467 113 HA LYS 15 HA LYS 15 12.347 -6.636 8.103 114 HB3 LYS 15 2HB LYS 15 12.978 -3.702 7.894 115 HG3 LYS 15 2HG LYS 15 15.039 -5.817 7.742 116 HD3 LYS 15 2HD LYS 15 16.118 -4.125 9.342 117 HE3 LYS 15 2HE LYS 15 15.395 -3.441 6.499 118 HZ1 LYS 15 3HZ LYS 15 16.090 -1.460 7.846 119 HZ2 LYS 15 1HZ LYS 15 17.073 -1.805 6.513 120 HZ3 LYS 15 2HZ LYS 15 17.588 -2.215 8.070 121 H LYS 16 H LYS 16 9.697 -5.954 8.991 122 HA LYS 16 HA LYS 16 8.545 -5.358 10.864 123 HB3 LYS 16 2HB LYS 16 9.813 -5.610 13.016 124 HG3 LYS 16 2HG LYS 16 10.599 -7.917 11.300 125 HD3 LYS 16 2HD LYS 16 8.966 -8.369 13.661 126 HE3 LYS 16 2HE LYS 16 11.669 -9.243 12.675 127 HZ1 LYS 16 3HZ LYS 16 11.188 -9.125 15.276 128 HZ2 LYS 16 1HZ LYS 16 12.099 -10.363 14.567 129 HZ3 LYS 16 2HZ LYS 16 10.469 -10.620 14.938 130 H LYS 17 H LYS 17 8.185 -3.207 10.110 131 HA LYS 17 HA LYS 17 8.889 -1.209 11.955 132 HB3 LYS 17 2HB LYS 17 10.123 -0.576 9.308 133 HG3 LYS 17 2HG LYS 17 10.632 0.264 12.147 134 HD3 LYS 17 2HD LYS 17 12.307 1.823 10.809 135 HE3 LYS 17 2HE LYS 17 14.104 0.031 11.266 136 HZ1 LYS 17 3HZ LYS 17 12.336 1.319 13.206 137 HZ2 LYS 17 1HZ LYS 17 13.999 1.522 12.957 138 HZ3 LYS 17 2HZ LYS 17 13.427 0.164 13.788 139 H GLU 18 H GLU 18 7.000 -0.191 11.996 140 HA GLU 18 HA GLU 18 5.789 0.607 9.433 141 HB3 GLU 18 2HB GLU 18 4.439 -0.466 11.905 142 HG3 GLU 18 2HG GLU 18 3.091 0.751 9.505 143 H GLU 19 H GLU 19 4.909 2.647 9.316 144 HA GLU 19 HA GLU 19 4.692 4.311 11.663 145 HB3 GLU 19 2HB GLU 19 7.081 4.503 11.197 146 HG3 GLU 19 2HG GLU 19 6.278 5.545 8.490 147 H THR 20 H THR 20 3.875 6.499 11.117 148 HA THR 20 HA THR 20 2.080 6.324 8.803 149 HB THR 20 HB THR 20 0.986 8.353 9.987 150 HG1 THR 20 1HG THR 20 2.565 8.784 11.524 151 HG21 THR 20 3HG2 THR 20 -0.293 6.855 11.475 152 HG22 THR 20 1HG2 THR 20 0.915 5.596 11.220 153 HG23 THR 20 2HG2 THR 20 -0.066 6.166 9.868 154 H PHE 21 H PHE 21 1.683 8.240 7.520 155 HA PHE 21 HA PHE 21 3.894 10.176 7.528 156 HB3 PHE 21 2HB PHE 21 3.681 10.085 4.954 157 HD1 PHE 21 2HD PHE 21 5.969 10.315 6.321 158 HD2 PHE 21 1HD PHE 21 4.166 6.656 5.106 159 HE1 PHE 21 2HE PHE 21 8.158 9.197 6.452 160 HE2 PHE 21 1HE PHE 21 6.350 5.532 5.237 161 HZ PHE 21 HZ PHE 21 8.349 6.801 5.910 162 H ASN 22 H ASN 22 3.374 12.257 6.930 163 HA ASN 22 HA ASN 22 0.495 12.803 6.691 164 HB3 ASN 22 2HB ASN 22 1.693 13.783 8.647 165 HD21 ASN 22 1HD2 ASN 22 2.181 16.724 7.635 166 HD22 ASN 22 2HD2 ASN 22 3.897 16.750 7.438 167 H GLY 23 H GLY 23 -0.112 14.706 5.365 168 HA2 GLY 23 2HA GLY 23 0.363 16.222 3.578 169 HA3 GLY 23 3HA GLY 23 1.753 15.234 3.155 170 H ILE 24 H ILE 24 1.260 13.027 2.321 171 HA ILE 24 HA ILE 24 -0.533 13.196 0.146 172 HB ILE 24 HB ILE 24 0.925 10.836 1.330 173 HG13 ILE 24 2HG1 ILE 24 2.362 11.086 -0.648 174 HG21 ILE 24 1HG2 ILE 24 -0.752 10.995 -1.169 175 HG22 ILE 24 2HG2 ILE 24 0.374 9.687 -0.812 176 HG23 ILE 24 3HG2 ILE 24 -1.017 9.961 0.235 177 HD11 ILE 24 3HD1 ILE 24 2.221 12.847 -2.183 178 HD12 ILE 24 1HD1 ILE 24 0.589 12.188 -2.085 179 HD13 ILE 24 2HD1 ILE 24 0.988 13.683 -1.239 180 H SER 25 H SER 25 -2.538 12.341 -0.196 181 HA SER 25 HA SER 25 -3.802 10.799 1.944 182 HB3 SER 25 2HB SER 25 -5.881 12.338 1.524 183 HG SER 25 HG SER 25 -4.204 12.216 3.399 184 H LYS 26 H LYS 26 -2.931 9.783 -0.444 185 HA LYS 26 HA LYS 26 -5.430 8.883 -1.604 186 HB3 LYS 26 2HB LYS 26 -4.629 9.299 -3.935 187 HG3 LYS 26 2HG LYS 26 -4.895 11.807 -2.288 188 HD3 LYS 26 2HD LYS 26 -4.689 11.283 -5.168 189 HE3 LYS 26 2HE LYS 26 -6.960 12.883 -4.020 190 HZ1 LYS 26 3HZ LYS 26 -6.305 14.428 -5.516 191 HZ2 LYS 26 1HZ LYS 26 -7.125 13.413 -6.592 192 HZ3 LYS 26 2HZ LYS 26 -5.440 13.330 -6.469 193 H ILE 27 H ILE 27 -5.226 6.931 -2.801 194 HA ILE 27 HA ILE 27 -3.202 5.196 -1.819 195 HB ILE 27 HB ILE 27 -5.291 4.809 -3.960 196 HG13 ILE 27 2HG1 ILE 27 -6.444 3.501 -2.286 197 HG21 ILE 27 1HG2 ILE 27 -3.318 2.836 -2.826 198 HG22 ILE 27 2HG2 ILE 27 -4.756 2.380 -3.739 199 HG23 ILE 27 3HG2 ILE 27 -3.490 3.337 -4.507 200 HD11 ILE 27 3HD1 ILE 27 -4.552 2.529 -1.102 201 HD12 ILE 27 1HD1 ILE 27 -4.159 4.110 -0.428 202 HD13 ILE 27 2HD1 ILE 27 -5.672 3.317 0.008 203 H SER 28 H SER 28 -3.551 7.106 -4.698 204 HA SER 28 HA SER 28 -1.769 5.757 -6.392 205 HB3 SER 28 2HB SER 28 -2.885 8.513 -6.243 206 HG SER 28 HG SER 28 -1.545 9.045 -8.093 207 H GLU 29 H GLU 29 -1.189 8.562 -4.269 208 HA GLU 29 HA GLU 29 1.638 8.508 -4.706 209 HB3 GLU 29 2HB GLU 29 1.430 10.030 -2.511 210 HG3 GLU 29 2HG GLU 29 0.651 11.936 -4.061 211 H LEU 30 H LEU 30 -0.550 7.127 -2.369 212 HA LEU 30 HA LEU 30 1.366 6.497 -0.379 213 HB3 LEU 30 2HB LEU 30 -1.176 4.986 -0.937 214 HG LEU 30 HG LEU 30 -1.355 4.942 1.569 215 HD11 LEU 30 1HD1 LEU 30 -0.364 3.132 -0.064 216 HD12 LEU 30 2HD1 LEU 30 -0.292 2.922 1.685 217 HD13 LEU 30 3HD1 LEU 30 1.128 3.491 0.807 218 HD21 LEU 30 3HD2 LEU 30 1.587 5.569 1.521 219 HD22 LEU 30 1HD2 LEU 30 0.530 5.382 2.921 220 HD23 LEU 30 2HD2 LEU 30 0.354 6.783 1.866 221 H LEU 31 H LEU 31 -0.093 4.548 -2.977 222 HA LEU 31 HA LEU 31 1.384 2.207 -2.456 223 HB3 LEU 31 2HB LEU 31 0.864 1.883 -5.032 224 HG LEU 31 HG LEU 31 -1.393 1.973 -3.030 225 HD11 LEU 31 1HD1 LEU 31 -1.547 1.670 -5.760 226 HD12 LEU 31 2HD1 LEU 31 -2.742 1.122 -4.586 227 HD13 LEU 31 3HD1 LEU 31 -1.506 0.009 -5.171 228 HD21 LEU 31 3HD2 LEU 31 -0.814 -0.611 -3.232 229 HD22 LEU 31 1HD2 LEU 31 -0.028 0.440 -2.053 230 HD23 LEU 31 2HD2 LEU 31 0.793 0.039 -3.562 231 H GLU 32 H GLU 32 1.889 4.788 -4.857 232 HA GLU 32 HA GLU 32 4.225 3.775 -5.998 233 HB3 GLU 32 2HB GLU 32 3.426 6.668 -5.632 234 HG3 GLU 32 2HG GLU 32 5.022 5.656 -7.934 235 H ARG 33 H ARG 33 3.708 5.513 -3.020 236 HA ARG 33 HA ARG 33 6.402 6.271 -2.561 237 HB3 ARG 33 2HB ARG 33 4.136 5.836 -0.610 238 HG3 ARG 33 2HG ARG 33 6.444 5.887 0.417 239 HD3 ARG 33 2HD ARG 33 6.302 8.671 -0.713 240 HE ARG 33 HE ARG 33 7.407 7.976 1.794 241 HH11 ARG 33 1HH1 ARG 33 8.120 9.771 -1.103 242 HH12 ARG 33 2HH1 ARG 33 9.177 10.889 -0.306 243 HH21 ARG 33 1HH2 ARG 33 8.796 9.442 2.854 244 HH22 ARG 33 2HH2 ARG 33 9.562 10.701 1.944 245 H LEU 34 H LEU 34 4.442 3.568 -1.323 246 HA LEU 34 HA LEU 34 6.611 2.360 0.073 247 HB3 LEU 34 2HB LEU 34 5.125 0.515 0.450 248 HG LEU 34 HG LEU 34 3.516 3.067 0.488 249 HD11 LEU 34 1HD1 LEU 34 1.869 1.457 0.607 250 HD12 LEU 34 2HD1 LEU 34 2.278 1.688 2.307 251 HD13 LEU 34 3HD1 LEU 34 2.913 0.297 1.430 252 HD21 LEU 34 3HD2 LEU 34 5.054 3.532 2.067 253 HD22 LEU 34 1HD2 LEU 34 5.523 1.843 2.261 254 HD23 LEU 34 2HD2 LEU 34 4.072 2.452 3.057 255 H LYS 35 H LYS 35 5.303 2.080 -3.154 256 HA LYS 35 HA LYS 35 6.413 -0.344 -3.953 257 HB3 LYS 35 2HB LYS 35 5.909 2.177 -5.540 258 HG3 LYS 35 2HG LYS 35 5.689 -0.180 -7.119 259 HD3 LYS 35 2HD LYS 35 7.612 1.084 -8.340 260 HE3 LYS 35 2HE LYS 35 5.017 2.554 -7.926 261 HZ1 LYS 35 3HZ LYS 35 7.155 2.751 -9.796 262 HZ2 LYS 35 1HZ LYS 35 5.828 3.778 -9.571 263 HZ3 LYS 35 2HZ LYS 35 5.691 2.427 -10.579 264 H VAL 36 H VAL 36 7.807 2.921 -4.090 265 HA VAL 36 HA VAL 36 10.306 1.996 -5.153 266 HB VAL 36 HB VAL 36 9.535 4.257 -5.643 267 HG11 VAL 36 1HG1 VAL 36 9.872 4.756 -2.688 268 HG12 VAL 36 2HG1 VAL 36 9.527 5.988 -3.904 269 HG13 VAL 36 3HG1 VAL 36 8.347 4.720 -3.572 270 HG21 VAL 36 3HG2 VAL 36 11.834 5.046 -4.063 271 HG22 VAL 36 1HG2 VAL 36 12.096 3.515 -4.900 272 HG23 VAL 36 2HG2 VAL 36 11.647 4.955 -5.814 273 H GLU 37 H GLU 37 9.018 2.708 -1.975 274 HA GLU 37 HA GLU 37 11.266 2.985 -0.439 275 HB3 GLU 37 2HB GLU 37 9.823 1.502 1.248 276 HG3 GLU 37 2HG GLU 37 8.241 3.560 1.467 277 H TYR 38 H TYR 38 9.731 -0.092 -1.361 278 HA TYR 38 HA TYR 38 12.167 -1.496 -0.515 279 HB3 TYR 38 2HB TYR 38 9.562 -2.805 -1.275 280 HD1 TYR 38 1HD TYR 38 11.680 -3.126 1.742 281 HD2 TYR 38 2HD TYR 38 10.477 -4.888 -1.940 282 HE1 TYR 38 1HE TYR 38 12.792 -5.222 2.389 283 HE2 TYR 38 2HE TYR 38 11.586 -6.990 -1.302 284 HH TYR 38 HH TYR 38 13.767 -7.421 0.578 285 H GLY 39 H GLY 39 9.977 -1.042 -3.243 286 HA2 GLY 39 2HA GLY 39 11.160 -0.905 -5.434 287 HA3 GLY 39 3HA GLY 39 11.974 -2.388 -4.959 288 H SER 40 H SER 40 11.222 -3.443 -6.831 289 HA SER 40 HA SER 40 8.435 -3.647 -7.424 290 HB3 SER 40 2HB SER 40 10.073 -3.883 -9.206 291 HG SER 40 HG SER 40 11.692 -5.251 -9.097 292 H GLU 41 H GLU 41 10.715 -5.498 -5.535 293 HA GLU 41 HA GLU 41 9.446 -7.936 -5.312 294 HB3 GLU 41 2HB GLU 41 10.376 -7.596 -2.779 295 HG3 GLU 41 2HG GLU 41 12.675 -8.215 -3.743 296 H PHE 42 H PHE 42 8.928 -5.041 -3.307 297 HA PHE 42 HA PHE 42 6.852 -6.188 -1.753 298 HB3 PHE 42 2HB PHE 42 7.657 -3.323 -2.259 299 HD1 PHE 42 2HD PHE 42 5.437 -2.372 -2.547 300 HD2 PHE 42 1HD PHE 42 6.434 -4.667 0.896 301 HE1 PHE 42 2HE PHE 42 3.436 -1.515 -1.399 302 HE2 PHE 42 1HE PHE 42 4.435 -3.815 2.048 303 HZ PHE 42 HZ PHE 42 2.934 -2.235 0.901 304 H THR 43 H THR 43 6.798 -3.895 -4.474 305 HA THR 43 HA THR 43 4.076 -3.514 -4.697 306 HB THR 43 HB THR 43 5.620 -3.843 -7.226 307 HG1 THR 43 1HG THR 43 7.201 -2.853 -6.071 308 HG21 THR 43 3HG2 THR 43 3.291 -2.957 -7.149 309 HG22 THR 43 1HG2 THR 43 4.452 -1.834 -7.854 310 HG23 THR 43 2HG2 THR 43 3.886 -1.595 -6.201 311 H LYS 44 H LYS 44 6.010 -5.945 -6.454 312 HA LYS 44 HA LYS 44 3.863 -7.246 -7.684 313 HB3 LYS 44 2HB LYS 44 5.441 -9.183 -7.885 314 HG3 LYS 44 2HG LYS 44 6.732 -6.535 -8.508 315 HD3 LYS 44 2HD LYS 44 7.667 -7.885 -10.429 316 HE3 LYS 44 2HE LYS 44 8.438 -8.222 -7.574 317 HZ1 LYS 44 3HZ LYS 44 8.913 -10.338 -8.971 318 HZ2 LYS 44 1HZ LYS 44 10.130 -9.692 -7.989 319 HZ3 LYS 44 2HZ LYS 44 10.145 -9.402 -9.655 320 H GLN 45 H GLN 45 5.070 -7.421 -4.442 321 HA GLN 45 HA GLN 45 3.952 -9.925 -3.727 322 HB3 GLN 45 2HB GLN 45 4.348 -7.677 -1.777 323 HG3 GLN 45 2HG GLN 45 3.629 -10.173 -1.262 324 HE21 GLN 45 1HE2 GLN 45 5.229 -11.506 0.454 325 HE22 GLN 45 2HE2 GLN 45 6.506 -12.296 -0.400 326 H MET 46 H MET 46 2.762 -6.601 -3.550 327 HA MET 46 HA MET 46 0.173 -7.592 -2.589 328 HB3 MET 46 2HB MET 46 1.066 -4.719 -2.842 329 HG3 MET 46 2HG MET 46 -1.166 -6.053 -1.342 330 HE1 MET 46 3HE MET 46 0.797 -2.117 -1.090 331 HE2 MET 46 1HE MET 46 -0.127 -2.730 -2.463 332 HE3 MET 46 2HE MET 46 -0.904 -1.684 -1.274 333 H TYR 47 H TYR 47 1.569 -7.265 -5.447 334 HA TYR 47 HA TYR 47 -0.809 -7.226 -6.928 335 HB3 TYR 47 2HB TYR 47 0.682 -4.726 -7.560 336 HD1 TYR 47 2HD TYR 47 -2.675 -6.230 -6.894 337 HD2 TYR 47 1HD TYR 47 -0.348 -3.590 -9.286 338 HE1 TYR 47 2HE TYR 47 -4.625 -5.830 -8.340 339 HE2 TYR 47 1HE TYR 47 -2.291 -3.182 -10.737 340 HH TYR 47 HH TYR 47 -5.428 -4.718 -10.081 341 H ASP 48 H ASP 48 0.297 -9.023 -7.788 342 HA ASP 48 HA ASP 48 2.754 -8.558 -9.275 343 HB3 ASP 48 2HB ASP 48 1.207 -11.142 -9.169 344 H GLY 49 H GLY 49 2.075 -7.230 -10.968 345 HA2 GLY 49 2HA GLY 49 1.612 -7.122 -13.263 346 HA3 GLY 49 3HA GLY 49 0.790 -8.671 -13.148 347 H ASN 50 H ASN 50 -1.390 -8.743 -12.745 348 HA ASN 50 HA ASN 50 -2.754 -6.132 -12.713 349 HB3 ASN 50 2HB ASN 50 -4.445 -6.991 -14.084 350 HD21 ASN 50 1HD2 ASN 50 -3.278 -9.688 -15.368 351 HD22 ASN 50 2HD2 ASN 50 -2.206 -9.044 -16.561 352 H ASN 51 H ASN 51 -2.404 -9.196 -11.171 353 HA ASN 51 HA ASN 51 -4.248 -8.331 -9.074 354 HB3 ASN 51 2HB ASN 51 -5.381 -9.938 -10.729 355 HD21 ASN 51 1HD2 ASN 51 -3.370 -10.906 -11.808 356 HD22 ASN 51 2HD2 ASN 51 -3.056 -12.566 -11.444 357 H LEU 52 H LEU 52 -3.994 -9.634 -7.071 358 HA LEU 52 HA LEU 52 -1.399 -9.685 -6.161 359 HB3 LEU 52 2HB LEU 52 -2.199 -10.990 -4.280 360 HG LEU 52 HG LEU 52 -3.611 -9.496 -3.353 361 HD11 LEU 52 1HD1 LEU 52 -3.335 -7.929 -5.891 362 HD12 LEU 52 2HD1 LEU 52 -1.940 -8.266 -4.865 363 HD13 LEU 52 3HD1 LEU 52 -3.310 -7.358 -4.222 364 HD21 LEU 52 3HD2 LEU 52 -5.359 -8.627 -5.439 365 HD22 LEU 52 1HD2 LEU 52 -5.747 -9.482 -3.946 366 HD23 LEU 52 2HD2 LEU 52 -5.329 -10.391 -5.400 367 H PHE 53 H PHE 53 -0.014 -11.469 -5.524 368 HA PHE 53 HA PHE 53 0.293 -13.364 -7.658 369 HB3 PHE 53 2HB PHE 53 1.830 -12.903 -5.100 370 HD1 PHE 53 1HD PHE 53 2.806 -14.223 -8.422 371 HD2 PHE 53 2HD PHE 53 2.468 -14.981 -4.246 372 HE1 PHE 53 1HE PHE 53 4.050 -16.327 -8.705 373 HE2 PHE 53 2HE PHE 53 3.713 -17.084 -4.524 374 HZ PHE 53 HZ PHE 53 4.507 -17.760 -6.755 375 H LYS 54 H LYS 54 0.134 -13.837 -4.126 376 HA LYS 54 HA LYS 54 -0.796 -16.560 -4.524 377 HB3 LYS 54 2HB LYS 54 -0.204 -15.021 -1.988 378 HG3 LYS 54 2HG LYS 54 -0.788 -17.938 -2.429 379 HD3 LYS 54 2HD LYS 54 -0.348 -17.819 0.190 380 HE3 LYS 54 2HE LYS 54 1.972 -18.620 -0.241 381 HZ1 LYS 54 3HZ LYS 54 -0.423 -19.726 -1.217 382 HZ2 LYS 54 1HZ LYS 54 0.954 -20.526 -0.649 383 HZ3 LYS 54 2HZ LYS 54 0.829 -20.120 -2.285 384 H ASN 55 H ASN 55 -1.923 -13.707 -2.699 385 HA ASN 55 HA ASN 55 -4.486 -13.545 -3.526 386 HB3 ASN 55 2HB ASN 55 -5.360 -14.946 -1.291 387 HD21 ASN 55 1HD2 ASN 55 -5.493 -17.553 -2.671 388 HD22 ASN 55 2HD2 ASN 55 -6.601 -17.323 -3.977 389 H VAL 56 H VAL 56 -2.683 -11.802 -2.506 390 HA VAL 56 HA VAL 56 -3.022 -11.190 0.238 391 HB VAL 56 HB VAL 56 -2.319 -9.170 -1.882 392 HG11 VAL 56 1HG1 VAL 56 -1.453 -9.487 0.991 393 HG12 VAL 56 2HG1 VAL 56 -0.972 -8.189 -0.103 394 HG13 VAL 56 3HG1 VAL 56 -2.656 -8.342 0.398 395 HG21 VAL 56 3HG2 VAL 56 -0.725 -10.643 -2.510 396 HG22 VAL 56 1HG2 VAL 56 0.091 -10.052 -1.063 397 HG23 VAL 56 2HG2 VAL 56 -0.825 -11.558 -1.006 398 H ILE 57 H ILE 57 -4.406 -9.833 1.283 399 HA ILE 57 HA ILE 57 -6.505 -8.541 -0.327 400 HB ILE 57 HB ILE 57 -6.920 -9.991 2.290 401 HG13 ILE 57 2HG1 ILE 57 -6.604 -11.349 0.129 402 HG21 ILE 57 1HG2 ILE 57 -8.857 -8.495 0.530 403 HG22 ILE 57 2HG2 ILE 57 -9.310 -9.496 1.909 404 HG23 ILE 57 3HG2 ILE 57 -8.339 -8.043 2.153 405 HD11 ILE 57 3HD1 ILE 57 -8.054 -11.940 2.285 406 HD12 ILE 57 1HD1 ILE 57 -9.338 -11.920 1.075 407 HD13 ILE 57 2HD1 ILE 57 -7.951 -12.993 0.875 408 H ILE 58 H ILE 58 -6.164 -6.425 -0.115 409 HA ILE 58 HA ILE 58 -5.659 -5.369 2.591 410 HB ILE 58 HB ILE 58 -3.687 -4.759 1.633 411 HG13 ILE 58 2HG1 ILE 58 -5.030 -2.696 2.174 412 HG21 ILE 58 1HG2 ILE 58 -5.112 -4.595 -1.018 413 HG22 ILE 58 2HG2 ILE 58 -3.402 -4.239 -0.778 414 HG23 ILE 58 3HG2 ILE 58 -4.015 -5.864 -0.476 415 HD11 ILE 58 3HD1 ILE 58 -2.972 -2.456 -0.005 416 HD12 ILE 58 1HD1 ILE 58 -3.621 -1.095 0.907 417 HD13 ILE 58 2HD1 ILE 58 -2.709 -2.355 1.735 418 H LEU 59 H LEU 59 -6.937 -3.744 3.295 419 HA LEU 59 HA LEU 59 -8.893 -2.636 1.390 420 HB3 LEU 59 2HB LEU 59 -10.357 -2.407 3.488 421 HG LEU 59 HG LEU 59 -9.826 -5.205 2.487 422 HD11 LEU 59 1HD1 LEU 59 -11.603 -5.948 3.654 423 HD12 LEU 59 2HD1 LEU 59 -12.473 -4.420 3.517 424 HD13 LEU 59 3HD1 LEU 59 -11.197 -4.602 4.720 425 HD21 LEU 59 3HD2 LEU 59 -10.856 -4.608 0.617 426 HD22 LEU 59 1HD2 LEU 59 -10.907 -2.940 1.190 427 HD23 LEU 59 2HD2 LEU 59 -12.246 -4.034 1.540 428 H VAL 60 H VAL 60 -9.791 -0.516 2.049 429 HA VAL 60 HA VAL 60 -7.890 1.070 3.642 430 HB VAL 60 HB VAL 60 -7.333 1.580 1.377 431 HG11 VAL 60 1HG1 VAL 60 -10.204 1.310 0.970 432 HG12 VAL 60 2HG1 VAL 60 -9.515 2.711 0.149 433 HG13 VAL 60 3HG1 VAL 60 -8.873 1.098 -0.168 434 HG21 VAL 60 3HG2 VAL 60 -8.055 3.464 3.183 435 HG22 VAL 60 1HG2 VAL 60 -7.315 3.819 1.622 436 HG23 VAL 60 2HG2 VAL 60 -9.066 3.918 1.811 437 H ASN 61 H ASN 61 -8.819 2.287 5.156 438 HA ASN 61 HA ASN 61 -10.425 3.208 6.481 439 HB3 ASN 61 2HB ASN 61 -11.759 3.909 3.859 440 HD21 ASN 61 1HD2 ASN 61 -11.014 4.921 7.172 441 HD22 ASN 61 2HD2 ASN 61 -12.478 5.806 7.414 442 H GLY 62 H GLY 62 -10.731 0.415 5.828 443 HA2 GLY 62 2HA GLY 62 -12.253 -1.248 6.282 444 HA3 GLY 62 3HA GLY 62 -13.354 0.006 6.835 445 H ASN 63 H ASN 63 -11.917 -0.594 3.638 446 HA ASN 63 HA ASN 63 -14.160 -1.729 2.431 447 HB3 ASN 63 2HB ASN 63 -14.419 0.716 1.108 448 HD21 ASN 63 1HD2 ASN 63 -15.853 -1.331 0.764 449 HD22 ASN 63 2HD2 ASN 63 -17.403 -1.254 1.523 450 H ASN 64 H ASN 64 -14.036 -1.642 0.014 451 HA ASN 64 HA ASN 64 -11.231 -1.690 -0.780 452 HB3 ASN 64 2HB ASN 64 -12.357 -3.671 -1.399 453 HD21 ASN 64 1HD2 ASN 64 -14.122 -4.837 -2.049 454 HD22 ASN 64 2HD2 ASN 64 -15.689 -4.139 -2.259 455 H ILE 65 H ILE 65 -10.391 -0.535 -2.505 456 HA ILE 65 HA ILE 65 -11.571 2.018 -2.985 457 HB ILE 65 HB ILE 65 -9.666 2.361 -4.546 458 HG13 ILE 65 2HG1 ILE 65 -9.492 -0.009 -5.286 459 HG21 ILE 65 1HG2 ILE 65 -9.662 2.449 -1.887 460 HG22 ILE 65 2HG2 ILE 65 -8.429 1.210 -2.114 461 HG23 ILE 65 3HG2 ILE 65 -8.225 2.801 -2.847 462 HD11 ILE 65 3HD1 ILE 65 -7.547 0.896 -5.967 463 HD12 ILE 65 1HD1 ILE 65 -7.152 1.529 -4.368 464 HD13 ILE 65 2HD1 ILE 65 -6.885 -0.177 -4.733 465 H THR 66 H THR 66 -11.485 -1.015 -4.698 466 HA THR 66 HA THR 66 -12.147 -0.154 -7.274 467 HB THR 66 HB THR 66 -13.053 -2.420 -7.639 468 HG1 THR 66 1HG THR 66 -14.033 -2.928 -5.723 469 HG21 THR 66 3HG2 THR 66 -10.444 -2.135 -6.172 470 HG22 THR 66 1HG2 THR 66 -10.720 -2.296 -7.906 471 HG23 THR 66 2HG2 THR 66 -10.971 -3.679 -6.842 472 H SER 67 H SER 67 -14.074 -0.435 -4.401 473 HA SER 67 HA SER 67 -16.634 -0.686 -5.366 474 HB3 SER 67 2HB SER 67 -15.439 0.679 -3.003 475 HG SER 67 HG SER 67 -17.197 1.772 -2.520 476 H MET 68 H MET 68 -14.718 2.289 -5.089 477 HA MET 68 HA MET 68 -16.650 3.593 -6.892 478 HB3 MET 68 2HB MET 68 -16.915 5.034 -5.183 479 HG3 MET 68 2HG MET 68 -14.232 4.243 -4.074 480 HE1 MET 68 3HE MET 68 -16.093 5.587 -0.505 481 HE2 MET 68 1HE MET 68 -16.266 4.080 -1.407 482 HE3 MET 68 2HE MET 68 -14.669 4.615 -0.886 483 H LYS 69 H LYS 69 -13.407 4.509 -5.772 484 HA LYS 69 HA LYS 69 -12.528 4.507 -8.584 485 HB3 LYS 69 2HB LYS 69 -10.908 6.351 -7.705 486 HG3 LYS 69 2HG LYS 69 -12.710 8.128 -7.942 487 HD3 LYS 69 2HD LYS 69 -11.366 6.658 -9.806 488 HE3 LYS 69 2HE LYS 69 -14.274 6.169 -10.113 489 HZ1 LYS 69 3HZ LYS 69 -13.904 7.563 -12.001 490 HZ2 LYS 69 1HZ LYS 69 -13.965 5.961 -12.540 491 HZ3 LYS 69 2HZ LYS 69 -12.476 6.751 -12.402 492 H GLY 70 H GLY 70 -10.768 3.340 -9.043 493 HA2 GLY 70 2HA GLY 70 -9.602 1.599 -7.188 494 HA3 GLY 70 3HA GLY 70 -8.933 1.991 -8.764 495 H LEU 71 H LEU 71 -7.235 3.393 -8.921 496 HA LEU 71 HA LEU 71 -5.748 3.880 -6.518 497 HB3 LEU 71 2HB LEU 71 -5.042 5.092 -9.154 498 HG LEU 71 HG LEU 71 -3.554 5.100 -6.968 499 HD11 LEU 71 1HD1 LEU 71 -2.008 3.263 -6.879 500 HD12 LEU 71 2HD1 LEU 71 -2.782 2.491 -8.262 501 HD13 LEU 71 3HD1 LEU 71 -3.651 2.637 -6.734 502 HD21 LEU 71 3HD2 LEU 71 -1.585 5.246 -8.398 503 HD22 LEU 71 1HD2 LEU 71 -2.956 6.084 -9.125 504 HD23 LEU 71 2HD2 LEU 71 -2.477 4.494 -9.721 505 H ASP 72 H ASP 72 -8.109 5.590 -8.246 506 HA ASP 72 HA ASP 72 -7.215 8.238 -7.557 507 HB3 ASP 72 2HB ASP 72 -9.901 8.458 -8.164 508 H THR 73 H THR 73 -8.372 5.800 -5.724 509 HA THR 73 HA THR 73 -10.395 6.944 -4.158 510 HB THR 73 HB THR 73 -8.579 4.650 -3.914 511 HG1 THR 73 1HG THR 73 -11.300 5.222 -3.322 512 HG21 THR 73 3HG2 THR 73 -9.613 6.055 -1.454 513 HG22 THR 73 1HG2 THR 73 -7.943 5.638 -1.832 514 HG23 THR 73 2HG2 THR 73 -9.110 4.365 -1.474 515 H GLU 74 H GLU 74 -10.399 8.225 -2.369 516 HA GLU 74 HA GLU 74 -7.857 9.538 -1.716 517 HB3 GLU 74 2HB GLU 74 -9.218 11.345 -0.790 518 HG3 GLU 74 2HG GLU 74 -10.597 10.776 -3.363 519 H ILE 75 H ILE 75 -7.266 9.918 0.462 520 HA ILE 75 HA ILE 75 -8.698 8.359 2.491 521 HB ILE 75 HB ILE 75 -6.409 7.655 3.388 522 HG13 ILE 75 2HG1 ILE 75 -5.049 9.125 1.976 523 HG21 ILE 75 1HG2 ILE 75 -7.991 6.085 2.426 524 HG22 ILE 75 2HG2 ILE 75 -7.421 6.476 0.805 525 HG23 ILE 75 3HG2 ILE 75 -6.347 5.669 1.945 526 HD11 ILE 75 3HD1 ILE 75 -3.323 7.701 1.493 527 HD12 ILE 75 1HD1 ILE 75 -4.249 6.743 2.648 528 HD13 ILE 75 2HD1 ILE 75 -4.393 6.422 0.920 529 H LYS 76 H LYS 76 -9.149 9.649 4.134 530 HA LYS 76 HA LYS 76 -7.675 12.115 4.523 531 HB3 LYS 76 2HB LYS 76 -9.392 12.656 6.162 532 HG3 LYS 76 2HG LYS 76 -11.104 11.366 4.135 533 HD3 LYS 76 2HD LYS 76 -11.627 13.262 5.856 534 HE3 LYS 76 2HE LYS 76 -10.768 14.987 3.565 535 HZ1 LYS 76 3HZ LYS 76 -11.399 15.440 6.422 536 HZ2 LYS 76 1HZ LYS 76 -12.208 16.052 5.069 537 HZ3 LYS 76 2HZ LYS 76 -10.661 16.615 5.455 538 H ASP 77 H ASP 77 -7.323 12.722 6.945 539 HA ASP 77 HA ASP 77 -5.224 11.209 7.937 540 HB3 ASP 77 2HB ASP 77 -5.820 13.598 8.531 541 H ASP 78 H ASP 78 -8.641 10.822 8.392 542 HA ASP 78 HA ASP 78 -8.411 9.078 10.670 543 HB3 ASP 78 2HB ASP 78 -10.843 8.685 10.286 544 H ASP 79 H ASP 79 -8.795 8.717 7.190 545 HA ASP 79 HA ASP 79 -9.434 6.041 6.994 546 HB3 ASP 79 2HB ASP 79 -8.045 6.147 4.822 547 H LYS 80 H LYS 80 -8.213 4.136 6.727 548 HA LYS 80 HA LYS 80 -5.383 4.206 7.403 549 HB3 LYS 80 2HB LYS 80 -6.395 4.044 9.591 550 HG3 LYS 80 2HG LYS 80 -7.703 1.448 8.935 551 HD3 LYS 80 2HD LYS 80 -9.185 2.209 10.800 552 HE3 LYS 80 2HE LYS 80 -7.214 2.198 12.540 553 HZ1 LYS 80 3HZ LYS 80 -8.327 0.231 12.474 554 HZ2 LYS 80 1HZ LYS 80 -6.861 -0.280 11.800 555 HZ3 LYS 80 2HZ LYS 80 -8.181 0.054 10.797 556 H ILE 81 H ILE 81 -4.237 2.568 6.494 557 HA ILE 81 HA ILE 81 -5.764 0.669 4.853 558 HB ILE 81 HB ILE 81 -2.855 1.439 4.604 559 HG13 ILE 81 2HG1 ILE 81 -5.353 2.586 3.480 560 HG21 ILE 81 1HG2 ILE 81 -4.464 -0.650 3.427 561 HG22 ILE 81 2HG2 ILE 81 -3.793 0.419 2.196 562 HG23 ILE 81 3HG2 ILE 81 -2.722 -0.387 3.342 563 HD11 ILE 81 3HD1 ILE 81 -4.398 4.282 4.578 564 HD12 ILE 81 1HD1 ILE 81 -2.794 3.555 4.521 565 HD13 ILE 81 2HD1 ILE 81 -3.414 4.432 3.122 566 H ASP 82 H ASP 82 -5.464 -1.508 5.004 567 HA ASP 82 HA ASP 82 -3.486 -2.490 6.943 568 HB3 ASP 82 2HB ASP 82 -6.374 -3.378 6.790 569 H LEU 83 H LEU 83 -2.442 -4.325 6.368 570 HA LEU 83 HA LEU 83 -3.170 -5.489 3.770 571 HB3 LEU 83 2HB LEU 83 -0.539 -5.748 5.209 572 HG LEU 83 HG LEU 83 0.380 -5.985 2.881 573 HD11 LEU 83 1HD1 LEU 83 -1.531 -8.193 3.585 574 HD12 LEU 83 2HD1 LEU 83 -0.078 -7.862 4.529 575 HD13 LEU 83 3HD1 LEU 83 0.059 -8.313 2.830 576 HD21 LEU 83 3HD2 LEU 83 -1.740 -5.078 1.820 577 HD22 LEU 83 1HD2 LEU 83 -2.444 -6.669 2.113 578 HD23 LEU 83 2HD2 LEU 83 -1.030 -6.508 1.070 579 H PHE 84 H PHE 84 -4.074 -7.428 3.771 580 HA PHE 84 HA PHE 84 -3.664 -9.172 6.105 581 HB3 PHE 84 2HB PHE 84 -5.838 -9.936 4.317 582 HD1 PHE 84 1HD PHE 84 -5.725 -8.027 7.510 583 HD2 PHE 84 2HD PHE 84 -6.558 -11.727 5.579 584 HE1 PHE 84 1HE PHE 84 -6.586 -8.935 9.628 585 HE2 PHE 84 2HE PHE 84 -7.421 -12.640 7.694 586 HZ PHE 84 HZ PHE 84 -7.436 -11.244 9.722 587 HA PRO 85 HA PRO 85 -1.422 -11.952 3.511 588 HB3 PRO 85 2HB PRO 85 -0.504 -12.767 5.453 589 HG3 PRO 85 2HG PRO 85 -1.737 -12.843 7.423 590 HD3 PRO 85 2HD PRO 85 -2.119 -10.658 6.798 591 HA PRO 86 HA PRO 86 -4.306 -14.340 1.202 592 HB3 PRO 86 2HB PRO 86 -2.608 -14.731 -0.296 593 HG3 PRO 86 2HG PRO 86 -0.423 -15.062 0.428 594 HD3 PRO 86 2HD PRO 86 -0.935 -13.131 1.579 595 H VAL 87 H VAL 87 -5.613 -16.176 1.271 596 HA VAL 87 HA VAL 87 -6.087 -17.364 3.723 597 HB VAL 87 HB VAL 87 -7.379 -19.097 2.455 598 HG11 VAL 87 1HG1 VAL 87 -7.734 -16.176 2.252 599 HG12 VAL 87 2HG1 VAL 87 -8.730 -17.154 1.172 600 HG13 VAL 87 3HG1 VAL 87 -8.805 -17.408 2.917 601 HG21 VAL 87 3HG2 VAL 87 -5.958 -19.256 0.488 602 HG22 VAL 87 1HG2 VAL 87 -7.601 -18.813 0.024 603 HG23 VAL 87 2HG2 VAL 87 -6.335 -17.587 0.059 604 H ALA 88 H ALA 88 -3.912 -18.343 1.165 605 HA ALA 88 HA ALA 88 -3.371 -20.923 2.361 606 HB1 ALA 88 1HB ALA 88 -2.364 -19.479 -0.061 607 HB2 ALA 88 2HB ALA 88 -1.545 -20.924 0.535 608 HB3 ALA 88 3HB ALA 88 -3.237 -21.009 0.044 609 H GLY 89 H GLY 89 -1.954 -17.725 2.290 610 HA2 GLY 89 2HA GLY 89 -0.527 -16.926 4.006 611 HA3 GLY 89 3HA GLY 89 -0.057 -18.583 4.352 612 H GLY 90 H GLY 90 1.205 -15.824 3.370 613 HA2 GLY 90 2HA GLY 90 2.882 -17.011 1.258 614 HA3 GLY 90 3HA GLY 90 2.668 -15.289 1.529 Start of MODEL 19 1 H1 MET 1 H MET 1 -3.101 11.890 6.501 2 HA MET 1 HA MET 1 -0.694 10.956 7.649 3 HB3 MET 1 2HB MET 1 -2.993 11.450 9.544 4 HG3 MET 1 2HG MET 1 -0.454 9.930 10.090 5 HE1 MET 1 3HE MET 1 -4.036 10.065 12.716 6 HE2 MET 1 1HE MET 1 -3.621 9.040 11.342 7 HE3 MET 1 2HE MET 1 -3.036 8.631 12.954 8 H VAL 2 H VAL 2 -0.621 8.993 6.795 9 HA VAL 2 HA VAL 2 -3.086 7.373 6.779 10 HB VAL 2 HB VAL 2 -2.206 6.230 4.772 11 HG11 VAL 2 1HG1 VAL 2 -2.261 8.537 3.356 12 HG12 VAL 2 2HG1 VAL 2 -3.696 7.717 3.975 13 HG13 VAL 2 3HG1 VAL 2 -2.991 9.062 4.872 14 HG21 VAL 2 3HG2 VAL 2 0.161 7.669 5.449 15 HG22 VAL 2 1HG2 VAL 2 -0.072 6.446 4.201 16 HG23 VAL 2 2HG2 VAL 2 -0.353 8.147 3.832 17 H THR 3 H THR 3 -2.999 5.430 7.725 18 HA THR 3 HA THR 3 -0.450 4.587 8.884 19 HB THR 3 HB THR 3 -3.049 3.202 9.442 20 HG1 THR 3 1HG THR 3 -3.113 4.868 11.248 21 HG21 THR 3 3HG2 THR 3 -0.408 3.563 10.765 22 HG22 THR 3 1HG2 THR 3 -1.407 2.118 10.613 23 HG23 THR 3 2HG2 THR 3 -1.830 3.361 11.790 24 H VAL 4 H VAL 4 0.602 2.770 8.311 25 HA VAL 4 HA VAL 4 -0.681 1.026 6.308 26 HB VAL 4 HB VAL 4 1.682 0.548 5.522 27 HG11 VAL 4 1HG1 VAL 4 0.140 3.040 5.115 28 HG12 VAL 4 2HG1 VAL 4 1.781 3.000 4.467 29 HG13 VAL 4 3HG1 VAL 4 0.601 1.790 3.961 30 HG21 VAL 4 3HG2 VAL 4 2.912 1.396 7.417 31 HG22 VAL 4 1HG2 VAL 4 3.346 2.322 5.981 32 HG23 VAL 4 2HG2 VAL 4 2.243 3.009 7.173 33 H ARG 5 H ARG 5 -0.894 -1.037 6.866 34 HA ARG 5 HA ARG 5 0.717 -2.045 9.117 35 HB3 ARG 5 2HB ARG 5 -1.556 -3.703 8.589 36 HG3 ARG 5 2HG ARG 5 -1.189 -1.803 10.889 37 HD3 ARG 5 2HD ARG 5 -2.282 -4.534 11.181 38 HE ARG 5 HE ARG 5 -2.428 -2.106 12.640 39 HH11 ARG 5 1HH1 ARG 5 -4.240 -4.976 11.867 40 HH12 ARG 5 2HH1 ARG 5 -5.175 -4.937 13.325 41 HH21 ARG 5 1HH2 ARG 5 -3.652 -2.044 14.564 42 HH22 ARG 5 2HH2 ARG 5 -4.840 -3.268 14.858 43 H TYR 6 H TYR 6 1.432 -4.236 9.044 44 HA TYR 6 HA TYR 6 1.300 -5.600 6.469 45 HB3 TYR 6 2HB TYR 6 3.646 -5.766 6.165 46 HD1 TYR 6 2HD TYR 6 2.566 -4.167 4.473 47 HD2 TYR 6 1HD TYR 6 4.370 -2.854 8.095 48 HE1 TYR 6 2HE TYR 6 2.780 -1.903 3.537 49 HE2 TYR 6 1HE TYR 6 4.588 -0.584 7.170 50 HH TYR 6 HH TYR 6 3.132 0.303 4.119 51 H TYR 7 H TYR 7 1.646 -7.816 6.582 52 HA TYR 7 HA TYR 7 1.729 -8.907 9.316 53 HB3 TYR 7 2HB TYR 7 0.803 -10.909 7.585 54 HD1 TYR 7 2HD TYR 7 -0.513 -7.953 9.456 55 HD2 TYR 7 1HD TYR 7 -0.715 -12.153 8.805 56 HE1 TYR 7 2HE TYR 7 -2.144 -8.153 11.286 57 HE2 TYR 7 1HE TYR 7 -2.348 -12.364 10.631 58 HH TYR 7 HH TYR 7 -2.813 -10.695 12.885 59 H ALA 8 H ALA 8 2.307 -11.473 8.969 60 HA ALA 8 HA ALA 8 5.047 -11.611 8.729 61 HB1 ALA 8 1HB ALA 8 4.340 -14.148 8.072 62 HB2 ALA 8 2HB ALA 8 4.369 -13.511 9.717 63 HB3 ALA 8 3HB ALA 8 2.853 -13.559 8.816 64 H THR 9 H THR 9 2.625 -11.777 6.226 65 HA THR 9 HA THR 9 4.213 -12.902 4.182 66 HB THR 9 HB THR 9 2.513 -11.449 2.725 67 HG1 THR 9 1HG THR 9 1.799 -10.391 4.756 68 HG21 THR 9 3HG2 THR 9 1.039 -13.563 4.096 69 HG22 THR 9 1HG2 THR 9 2.653 -14.058 3.586 70 HG23 THR 9 2HG2 THR 9 1.508 -13.427 2.401 71 H LEU 10 H LEU 10 3.629 -9.559 5.179 72 HA LEU 10 HA LEU 10 5.650 -8.667 3.239 73 HB3 LEU 10 2HB LEU 10 4.738 -6.393 3.679 74 HG LEU 10 HG LEU 10 2.780 -6.493 2.385 75 HD11 LEU 10 1HD1 LEU 10 4.454 -8.894 1.659 76 HD12 LEU 10 2HD1 LEU 10 4.771 -7.225 1.187 77 HD13 LEU 10 3HD1 LEU 10 3.333 -8.052 0.588 78 HD21 LEU 10 3HD2 LEU 10 2.427 -9.429 2.847 79 HD22 LEU 10 1HD2 LEU 10 1.253 -8.234 2.296 80 HD23 LEU 10 2HD2 LEU 10 1.762 -8.256 3.985 81 H ARG 11 H ARG 11 5.951 -9.883 6.028 82 HA ARG 11 HA ARG 11 6.905 -7.915 7.793 83 HB3 ARG 11 2HB ARG 11 8.385 -10.286 8.228 84 HG3 ARG 11 2HG ARG 11 5.766 -9.456 9.460 85 HD3 ARG 11 2HD ARG 11 7.461 -11.732 9.857 86 HE ARG 11 HE ARG 11 8.004 -9.793 11.777 87 HH11 ARG 11 1HH1 ARG 11 6.853 -13.076 11.636 88 HH12 ARG 11 2HH1 ARG 11 7.492 -13.505 13.188 89 HH21 ARG 11 1HH2 ARG 11 8.851 -10.346 13.823 90 HH22 ARG 11 2HH2 ARG 11 8.627 -11.951 14.432 91 HA PRO 12 HA PRO 12 11.333 -8.898 6.141 92 HB3 PRO 12 2HB PRO 12 11.509 -11.112 5.552 93 HG3 PRO 12 2HG PRO 12 9.707 -12.253 4.626 94 HD3 PRO 12 2HD PRO 12 8.679 -11.310 6.461 95 H ILE 13 H ILE 13 8.636 -8.010 4.299 96 HA ILE 13 HA ILE 13 10.236 -6.692 2.233 97 HB ILE 13 HB ILE 13 7.232 -6.682 2.409 98 HG13 ILE 13 2HG1 ILE 13 7.950 -9.014 2.465 99 HG21 ILE 13 1HG2 ILE 13 7.273 -5.685 0.409 100 HG22 ILE 13 2HG2 ILE 13 8.964 -5.340 0.765 101 HG23 ILE 13 3HG2 ILE 13 8.537 -6.754 -0.199 102 HD11 ILE 13 3HD1 ILE 13 7.378 -9.273 -0.280 103 HD12 ILE 13 1HD1 ILE 13 6.297 -9.512 1.091 104 HD13 ILE 13 2HD1 ILE 13 6.421 -7.924 0.332 105 H THR 14 H THR 14 8.474 -6.033 5.119 106 HA THR 14 HA THR 14 8.580 -3.141 4.590 107 HB THR 14 HB THR 14 6.361 -4.145 5.225 108 HG1 THR 14 1HG THR 14 7.497 -2.201 6.976 109 HG21 THR 14 3HG2 THR 14 7.611 -5.636 7.004 110 HG22 THR 14 1HG2 THR 14 5.960 -5.086 7.282 111 HG23 THR 14 2HG2 THR 14 7.309 -4.248 8.050 112 H LYS 15 H LYS 15 10.460 -5.411 5.908 113 HA LYS 15 HA LYS 15 12.205 -5.391 7.365 114 HB3 LYS 15 2HB LYS 15 13.238 -3.307 7.916 115 HG3 LYS 15 2HG LYS 15 11.873 -2.660 5.326 116 HD3 LYS 15 2HD LYS 15 14.120 -1.825 4.748 117 HE3 LYS 15 2HE LYS 15 14.174 0.092 6.338 118 HZ1 LYS 15 3HZ LYS 15 11.523 0.405 6.020 119 HZ2 LYS 15 1HZ LYS 15 11.862 -0.754 4.835 120 HZ3 LYS 15 2HZ LYS 15 12.677 0.728 4.825 121 H LYS 16 H LYS 16 9.324 -5.512 8.252 122 HA LYS 16 HA LYS 16 8.110 -5.617 10.179 123 HB3 LYS 16 2HB LYS 16 9.217 -6.568 12.056 124 HG3 LYS 16 2HG LYS 16 11.082 -7.438 9.888 125 HD3 LYS 16 2HD LYS 16 10.342 -9.683 10.904 126 HE3 LYS 16 2HE LYS 16 11.765 -8.086 12.965 127 HZ1 LYS 16 3HZ LYS 16 12.467 -10.583 11.519 128 HZ2 LYS 16 1HZ LYS 16 11.712 -10.516 13.032 129 HZ3 LYS 16 2HZ LYS 16 13.289 -9.932 12.846 130 H LYS 17 H LYS 17 7.595 -3.319 9.886 131 HA LYS 17 HA LYS 17 7.857 -1.879 12.285 132 HB3 LYS 17 2HB LYS 17 9.539 -0.848 9.993 133 HG3 LYS 17 2HG LYS 17 9.335 0.375 12.724 134 HD3 LYS 17 2HD LYS 17 10.092 2.360 11.173 135 HE3 LYS 17 2HE LYS 17 12.500 1.560 11.460 136 HZ1 LYS 17 3HZ LYS 17 12.119 2.747 13.287 137 HZ2 LYS 17 1HZ LYS 17 11.846 1.277 14.080 138 HZ3 LYS 17 2HZ LYS 17 10.542 2.162 13.465 139 H GLU 18 H GLU 18 6.143 -0.577 12.431 140 HA GLU 18 HA GLU 18 4.818 0.240 9.929 141 HB3 GLU 18 2HB GLU 18 3.681 -0.542 12.605 142 HG3 GLU 18 2HG GLU 18 2.406 1.077 10.452 143 H GLU 19 H GLU 19 4.106 2.333 9.706 144 HA GLU 19 HA GLU 19 4.258 4.204 11.896 145 HB3 GLU 19 2HB GLU 19 5.946 4.949 9.547 146 HG3 GLU 19 2HG GLU 19 5.564 6.646 11.219 147 H THR 20 H THR 20 3.582 6.403 11.222 148 HA THR 20 HA THR 20 1.692 6.235 8.969 149 HB THR 20 HB THR 20 0.536 8.174 10.161 150 HG1 THR 20 1HG THR 20 2.169 8.730 11.622 151 HG21 THR 20 3HG2 THR 20 0.638 5.347 11.115 152 HG22 THR 20 1HG2 THR 20 -0.664 6.211 10.297 153 HG23 THR 20 2HG2 THR 20 -0.338 6.516 12.003 154 H PHE 21 H PHE 21 1.716 7.749 7.386 155 HA PHE 21 HA PHE 21 3.590 10.000 7.672 156 HB3 PHE 21 2HB PHE 21 3.831 9.554 5.048 157 HD1 PHE 21 2HD PHE 21 5.802 10.737 6.058 158 HD2 PHE 21 1HD PHE 21 5.106 6.569 6.575 159 HE1 PHE 21 2HE PHE 21 8.156 10.427 6.705 160 HE2 PHE 21 1HE PHE 21 7.459 6.254 7.223 161 HZ PHE 21 HZ PHE 21 8.987 8.184 7.288 162 H ASN 22 H ASN 22 2.989 11.921 6.713 163 HA ASN 22 HA ASN 22 0.226 12.007 5.703 164 HB3 ASN 22 2HB ASN 22 0.328 13.293 7.687 165 HD21 ASN 22 1HD2 ASN 22 2.382 15.445 5.851 166 HD22 ASN 22 2HD2 ASN 22 3.646 15.551 7.023 167 H GLY 23 H GLY 23 -0.235 13.735 4.107 168 HA2 GLY 23 2HA GLY 23 1.261 15.326 2.637 169 HA3 GLY 23 3HA GLY 23 1.894 13.777 2.100 170 H ILE 24 H ILE 24 1.061 13.131 0.243 171 HA ILE 24 HA ILE 24 -1.234 14.302 -0.922 172 HB ILE 24 HB ILE 24 0.184 11.745 -1.685 173 HG13 ILE 24 2HG1 ILE 24 1.297 13.160 -3.379 174 HG21 ILE 24 1HG2 ILE 24 -2.224 12.951 -2.666 175 HG22 ILE 24 2HG2 ILE 24 -0.987 12.970 -3.923 176 HG23 ILE 24 3HG2 ILE 24 -1.447 11.447 -3.161 177 HD11 ILE 24 3HD1 ILE 24 -0.475 14.965 -3.378 178 HD12 ILE 24 1HD1 ILE 24 0.276 15.557 -1.896 179 HD13 ILE 24 2HD1 ILE 24 1.204 15.502 -3.396 180 H SER 25 H SER 25 -3.285 13.935 -0.436 181 HA SER 25 HA SER 25 -4.065 11.635 1.117 182 HB3 SER 25 2HB SER 25 -5.266 13.498 1.788 183 HG SER 25 HG SER 25 -6.324 14.510 -0.436 184 H LYS 26 H LYS 26 -3.144 10.426 -0.961 185 HA LYS 26 HA LYS 26 -5.487 9.334 -2.270 186 HB3 LYS 26 2HB LYS 26 -4.060 9.472 -4.500 187 HG3 LYS 26 2HG LYS 26 -5.533 11.922 -3.563 188 HD3 LYS 26 2HD LYS 26 -4.290 11.974 -5.759 189 HE3 LYS 26 2HE LYS 26 -6.202 9.733 -6.279 190 HZ1 LYS 26 3HZ LYS 26 -6.682 11.417 -7.955 191 HZ2 LYS 26 1HZ LYS 26 -5.907 10.080 -8.642 192 HZ3 LYS 26 2HZ LYS 26 -5.043 11.506 -8.362 193 H ILE 27 H ILE 27 -5.114 7.271 -3.227 194 HA ILE 27 HA ILE 27 -3.145 5.731 -1.857 195 HB ILE 27 HB ILE 27 -5.009 4.976 -4.107 196 HG13 ILE 27 2HG1 ILE 27 -6.364 3.957 -2.385 197 HG21 ILE 27 1HG2 ILE 27 -3.107 3.494 -4.126 198 HG22 ILE 27 2HG2 ILE 27 -3.245 3.240 -2.388 199 HG23 ILE 27 3HG2 ILE 27 -4.503 2.642 -3.469 200 HD11 ILE 27 3HD1 ILE 27 -5.327 3.180 -0.573 201 HD12 ILE 27 1HD1 ILE 27 -4.000 4.332 -0.717 202 HD13 ILE 27 2HD1 ILE 27 -5.512 4.820 0.049 203 H SER 28 H SER 28 -3.281 7.317 -4.923 204 HA SER 28 HA SER 28 -1.456 5.836 -6.412 205 HB3 SER 28 2HB SER 28 -2.424 8.642 -6.441 206 HG SER 28 HG SER 28 -0.255 7.888 -8.090 207 H GLU 29 H GLU 29 -0.822 8.669 -4.343 208 HA GLU 29 HA GLU 29 2.016 8.428 -4.600 209 HB3 GLU 29 2HB GLU 29 0.797 9.921 -2.327 210 HG3 GLU 29 2HG GLU 29 2.434 11.522 -2.723 211 H LEU 30 H LEU 30 -0.364 7.507 -2.162 212 HA LEU 30 HA LEU 30 1.347 6.755 -0.105 213 HB3 LEU 30 2HB LEU 30 -1.132 5.203 -0.753 214 HG LEU 30 HG LEU 30 -0.073 6.229 1.879 215 HD11 LEU 30 1HD1 LEU 30 -2.045 5.796 2.826 216 HD12 LEU 30 2HD1 LEU 30 -2.253 4.300 1.914 217 HD13 LEU 30 3HD1 LEU 30 -2.702 5.844 1.190 218 HD21 LEU 30 3HD2 LEU 30 -0.025 3.584 0.507 219 HD22 LEU 30 1HD2 LEU 30 -0.173 3.640 2.263 220 HD23 LEU 30 2HD2 LEU 30 1.221 4.377 1.472 221 H LEU 31 H LEU 31 0.008 4.727 -2.711 222 HA LEU 31 HA LEU 31 1.515 2.427 -1.976 223 HB3 LEU 31 2HB LEU 31 0.886 1.841 -4.475 224 HG LEU 31 HG LEU 31 -1.300 2.100 -2.409 225 HD11 LEU 31 1HD1 LEU 31 -2.281 1.731 -4.539 226 HD12 LEU 31 2HD1 LEU 31 -2.263 0.178 -3.704 227 HD13 LEU 31 3HD1 LEU 31 -1.072 0.518 -4.959 228 HD21 LEU 31 3HD2 LEU 31 0.461 0.816 -1.459 229 HD22 LEU 31 1HD2 LEU 31 0.706 -0.078 -2.959 230 HD23 LEU 31 2HD2 LEU 31 -0.765 -0.322 -2.017 231 H GLU 32 H GLU 32 1.923 4.959 -4.416 232 HA GLU 32 HA GLU 32 4.134 3.895 -5.746 233 HB3 GLU 32 2HB GLU 32 3.327 6.766 -5.272 234 HG3 GLU 32 2HG GLU 32 5.475 5.635 -7.026 235 H ARG 33 H ARG 33 3.908 5.738 -2.765 236 HA ARG 33 HA ARG 33 6.747 6.104 -2.512 237 HB3 ARG 33 2HB ARG 33 4.882 6.307 -0.184 238 HG3 ARG 33 2HG ARG 33 6.211 8.596 -0.166 239 HD3 ARG 33 2HD ARG 33 7.868 7.559 1.301 240 HE ARG 33 HE ARG 33 5.224 7.464 1.817 241 HH11 ARG 33 1HH1 ARG 33 7.848 5.276 2.486 242 HH12 ARG 33 2HH1 ARG 33 7.130 4.652 3.934 243 HH21 ARG 33 1HH2 ARG 33 4.268 6.650 3.722 244 HH22 ARG 33 2HH2 ARG 33 5.094 5.434 4.636 245 H LEU 34 H LEU 34 4.375 3.780 -1.407 246 HA LEU 34 HA LEU 34 6.093 2.510 0.496 247 HB3 LEU 34 2HB LEU 34 4.337 0.648 0.261 248 HG LEU 34 HG LEU 34 3.282 3.358 1.065 249 HD11 LEU 34 1HD1 LEU 34 1.623 2.213 2.289 250 HD12 LEU 34 2HD1 LEU 34 2.398 0.651 2.026 251 HD13 LEU 34 3HD1 LEU 34 1.624 1.487 0.681 252 HD21 LEU 34 3HD2 LEU 34 4.886 3.241 2.621 253 HD22 LEU 34 1HD2 LEU 34 5.216 1.540 2.290 254 HD23 LEU 34 2HD2 LEU 34 3.882 1.990 3.354 255 H LYS 35 H LYS 35 5.200 1.920 -2.868 256 HA LYS 35 HA LYS 35 6.542 -0.566 -3.113 257 HB3 LYS 35 2HB LYS 35 4.775 0.164 -4.666 258 HG3 LYS 35 2HG LYS 35 6.834 2.096 -5.719 259 HD3 LYS 35 2HD LYS 35 4.895 2.762 -7.208 260 HE3 LYS 35 2HE LYS 35 5.212 0.754 -8.743 261 HZ1 LYS 35 3HZ LYS 35 7.904 1.453 -8.074 262 HZ2 LYS 35 1HZ LYS 35 6.895 2.810 -8.143 263 HZ3 LYS 35 2HZ LYS 35 7.024 1.783 -9.480 264 H VAL 36 H VAL 36 7.511 2.780 -3.625 265 HA VAL 36 HA VAL 36 10.067 2.104 -4.745 266 HB VAL 36 HB VAL 36 8.940 4.236 -5.274 267 HG11 VAL 36 1HG1 VAL 36 9.611 5.017 -2.439 268 HG12 VAL 36 2HG1 VAL 36 8.850 6.035 -3.663 269 HG13 VAL 36 3HG1 VAL 36 7.993 4.630 -3.026 270 HG21 VAL 36 3HG2 VAL 36 10.926 5.683 -5.021 271 HG22 VAL 36 1HG2 VAL 36 11.620 4.498 -3.914 272 HG23 VAL 36 2HG2 VAL 36 11.332 4.068 -5.600 273 H GLU 37 H GLU 37 8.827 2.925 -1.560 274 HA GLU 37 HA GLU 37 11.363 3.244 -0.314 275 HB3 GLU 37 2HB GLU 37 8.682 2.566 0.906 276 HG3 GLU 37 2HG GLU 37 10.765 2.211 2.345 277 H TYR 38 H TYR 38 9.018 0.565 -0.337 278 HA TYR 38 HA TYR 38 10.833 -1.195 1.039 279 HB3 TYR 38 2HB TYR 38 9.067 -2.908 0.631 280 HD1 TYR 38 2HD TYR 38 10.026 -1.174 2.871 281 HD2 TYR 38 1HD TYR 38 6.225 -1.438 0.977 282 HE1 TYR 38 2HE TYR 38 8.949 -0.373 4.933 283 HE2 TYR 38 1HE TYR 38 5.138 -0.637 3.033 284 HH TYR 38 HH TYR 38 5.722 0.660 5.039 285 H GLY 39 H GLY 39 9.731 -0.714 -2.276 286 HA2 GLY 39 2HA GLY 39 11.546 -1.182 -3.944 287 HA3 GLY 39 3HA GLY 39 11.702 -2.738 -3.142 288 H SER 40 H SER 40 11.340 -2.901 -5.742 289 HA SER 40 HA SER 40 8.683 -2.835 -6.681 290 HB3 SER 40 2HB SER 40 9.626 -4.502 -8.420 291 HG SER 40 HG SER 40 11.302 -2.565 -8.856 292 H GLU 41 H GLU 41 10.533 -5.259 -4.965 293 HA GLU 41 HA GLU 41 9.013 -7.528 -5.424 294 HB3 GLU 41 2HB GLU 41 9.855 -8.356 -3.280 295 HG3 GLU 41 2HG GLU 41 12.322 -7.633 -3.522 296 H PHE 42 H PHE 42 8.439 -4.858 -3.200 297 HA PHE 42 HA PHE 42 6.292 -6.025 -1.787 298 HB3 PHE 42 2HB PHE 42 7.046 -3.141 -2.275 299 HD1 PHE 42 1HD PHE 42 5.393 -4.950 0.517 300 HD2 PHE 42 2HD PHE 42 5.146 -1.813 -2.350 301 HE1 PHE 42 1HE PHE 42 3.320 -4.151 1.574 302 HE2 PHE 42 2HE PHE 42 3.073 -1.009 -1.297 303 HZ PHE 42 HZ PHE 42 2.158 -2.177 0.668 304 H THR 43 H THR 43 6.308 -3.706 -4.490 305 HA THR 43 HA THR 43 3.532 -3.574 -4.837 306 HB THR 43 HB THR 43 4.735 -3.290 -7.389 307 HG1 THR 43 1HG THR 43 6.755 -3.212 -6.332 308 HG21 THR 43 3HG2 THR 43 3.606 -1.494 -5.289 309 HG22 THR 43 1HG2 THR 43 3.023 -1.819 -6.920 310 HG23 THR 43 2HG2 THR 43 4.428 -0.781 -6.677 311 H LYS 44 H LYS 44 5.937 -5.781 -6.173 312 HA LYS 44 HA LYS 44 4.102 -7.094 -7.933 313 HB3 LYS 44 2HB LYS 44 5.965 -8.827 -8.041 314 HG3 LYS 44 2HG LYS 44 6.710 -5.964 -8.605 315 HD3 LYS 44 2HD LYS 44 8.503 -7.912 -8.564 316 HE3 LYS 44 2HE LYS 44 7.642 -8.113 -11.418 317 HZ1 LYS 44 3HZ LYS 44 9.420 -9.406 -11.462 318 HZ2 LYS 44 1HZ LYS 44 8.683 -10.468 -10.371 319 HZ3 LYS 44 2HZ LYS 44 9.664 -9.214 -9.800 320 H GLN 45 H GLN 45 5.028 -7.446 -4.612 321 HA GLN 45 HA GLN 45 3.949 -10.113 -4.352 322 HB3 GLN 45 2HB GLN 45 4.778 -8.179 -2.183 323 HG3 GLN 45 2HG GLN 45 3.411 -10.290 -1.608 324 HE21 GLN 45 1HE2 GLN 45 5.779 -11.810 -0.209 325 HE22 GLN 45 2HE2 GLN 45 6.065 -13.115 -1.305 326 H MET 46 H MET 46 2.834 -6.856 -4.020 327 HA MET 46 HA MET 46 0.324 -7.820 -2.820 328 HB3 MET 46 2HB MET 46 1.142 -4.931 -2.964 329 HG3 MET 46 2HG MET 46 -0.434 -6.334 -0.833 330 HE1 MET 46 3HE MET 46 -1.591 -2.171 -1.764 331 HE2 MET 46 1HE MET 46 -0.036 -2.409 -2.563 332 HE3 MET 46 2HE MET 46 -1.373 -3.511 -2.890 333 H TYR 47 H TYR 47 1.527 -7.339 -5.741 334 HA TYR 47 HA TYR 47 -0.976 -7.055 -7.010 335 HB3 TYR 47 2HB TYR 47 0.661 -4.707 -7.767 336 HD1 TYR 47 2HD TYR 47 -2.687 -5.781 -6.486 337 HD2 TYR 47 1HD TYR 47 -0.509 -3.476 -9.321 338 HE1 TYR 47 2HE TYR 47 -4.798 -5.118 -7.560 339 HE2 TYR 47 1HE TYR 47 -2.614 -2.806 -10.403 340 HH TYR 47 HH TYR 47 -4.827 -2.938 -10.365 341 H ASP 48 H ASP 48 -0.629 -8.500 -8.557 342 HA ASP 48 HA ASP 48 1.857 -8.297 -10.129 343 HB3 ASP 48 2HB ASP 48 0.294 -10.847 -9.956 344 H GLY 49 H GLY 49 0.979 -6.920 -11.685 345 HA2 GLY 49 2HA GLY 49 0.144 -6.695 -13.850 346 HA3 GLY 49 3HA GLY 49 -0.616 -8.271 -13.693 347 H ASN 50 H ASN 50 -2.685 -8.436 -12.809 348 HA ASN 50 HA ASN 50 -4.103 -5.867 -12.531 349 HB3 ASN 50 2HB ASN 50 -6.086 -6.945 -13.457 350 HD21 ASN 50 1HD2 ASN 50 -4.772 -8.936 -15.580 351 HD22 ASN 50 2HD2 ASN 50 -4.220 -7.823 -16.782 352 H ASN 51 H ASN 51 -3.468 -8.991 -11.195 353 HA ASN 51 HA ASN 51 -5.019 -8.258 -8.819 354 HB3 ASN 51 2HB ASN 51 -5.703 -10.692 -8.621 355 HD21 ASN 51 1HD2 ASN 51 -7.310 -8.933 -8.277 356 HD22 ASN 51 2HD2 ASN 51 -8.530 -8.724 -9.483 357 H LEU 52 H LEU 52 -4.400 -9.565 -6.900 358 HA LEU 52 HA LEU 52 -1.702 -9.443 -6.365 359 HB3 LEU 52 2HB LEU 52 -2.144 -10.824 -4.414 360 HG LEU 52 HG LEU 52 -3.477 -9.415 -3.263 361 HD11 LEU 52 1HD1 LEU 52 -3.643 -7.807 -5.786 362 HD12 LEU 52 2HD1 LEU 52 -2.105 -8.079 -4.968 363 HD13 LEU 52 3HD1 LEU 52 -3.417 -7.253 -4.128 364 HD21 LEU 52 3HD2 LEU 52 -5.694 -9.013 -3.667 365 HD22 LEU 52 1HD2 LEU 52 -5.478 -10.509 -4.576 366 HD23 LEU 52 2HD2 LEU 52 -5.481 -8.959 -5.417 367 H PHE 53 H PHE 53 -0.227 -11.265 -5.789 368 HA PHE 53 HA PHE 53 0.011 -13.033 -8.043 369 HB3 PHE 53 2HB PHE 53 1.686 -12.710 -5.547 370 HD1 PHE 53 1HD PHE 53 1.710 -14.170 -8.981 371 HD2 PHE 53 2HD PHE 53 3.245 -14.302 -5.013 372 HE1 PHE 53 1HE PHE 53 3.014 -16.176 -9.556 373 HE2 PHE 53 2HE PHE 53 4.552 -16.308 -5.582 374 HZ PHE 53 HZ PHE 53 4.438 -17.247 -7.855 375 H LYS 54 H LYS 54 0.087 -13.695 -4.539 376 HA LYS 54 HA LYS 54 -0.810 -16.414 -5.029 377 HB3 LYS 54 2HB LYS 54 0.979 -16.098 -3.424 378 HG3 LYS 54 2HG LYS 54 -0.875 -14.698 -1.544 379 HD3 LYS 54 2HD LYS 54 1.301 -15.848 -0.855 380 HE3 LYS 54 2HE LYS 54 2.457 -13.410 -2.206 381 HZ1 LYS 54 3HZ LYS 54 3.840 -15.626 -0.795 382 HZ2 LYS 54 1HZ LYS 54 3.564 -14.097 -0.126 383 HZ3 LYS 54 2HZ LYS 54 4.558 -14.258 -1.485 384 H ASN 55 H ASN 55 -1.875 -13.648 -3.048 385 HA ASN 55 HA ASN 55 -4.484 -13.514 -3.659 386 HB3 ASN 55 2HB ASN 55 -5.197 -15.055 -1.467 387 HD21 ASN 55 1HD2 ASN 55 -6.506 -13.874 -3.475 388 HD22 ASN 55 2HD2 ASN 55 -7.238 -15.047 -4.510 389 H VAL 56 H VAL 56 -2.551 -11.861 -2.604 390 HA VAL 56 HA VAL 56 -2.801 -11.402 0.175 391 HB VAL 56 HB VAL 56 -2.123 -9.266 -1.833 392 HG11 VAL 56 1HG1 VAL 56 -1.296 -9.803 1.015 393 HG12 VAL 56 2HG1 VAL 56 -0.596 -8.543 -0.003 394 HG13 VAL 56 3HG1 VAL 56 -2.306 -8.484 0.427 395 HG21 VAL 56 3HG2 VAL 56 -0.697 -10.907 -2.602 396 HG22 VAL 56 1HG2 VAL 56 0.289 -10.148 -1.352 397 HG23 VAL 56 2HG2 VAL 56 -0.544 -11.667 -1.018 398 H ILE 57 H ILE 57 -4.103 -10.047 1.340 399 HA ILE 57 HA ILE 57 -6.267 -8.693 -0.130 400 HB ILE 57 HB ILE 57 -6.530 -10.117 2.520 401 HG13 ILE 57 2HG1 ILE 57 -6.382 -11.388 0.192 402 HG21 ILE 57 1HG2 ILE 57 -9.026 -9.487 1.314 403 HG22 ILE 57 2HG2 ILE 57 -8.371 -8.927 2.852 404 HG23 ILE 57 3HG2 ILE 57 -8.050 -8.019 1.375 405 HD11 ILE 57 3HD1 ILE 57 -7.338 -12.100 2.635 406 HD12 ILE 57 1HD1 ILE 57 -8.744 -12.362 1.605 407 HD13 ILE 57 2HD1 ILE 57 -7.220 -13.171 1.238 408 H ILE 58 H ILE 58 -5.865 -6.584 0.050 409 HA ILE 58 HA ILE 58 -5.194 -5.528 2.720 410 HB ILE 58 HB ILE 58 -3.258 -4.964 1.668 411 HG13 ILE 58 2HG1 ILE 58 -4.544 -2.867 2.239 412 HG21 ILE 58 1HG2 ILE 58 -3.664 -6.079 -0.405 413 HG22 ILE 58 2HG2 ILE 58 -4.811 -4.838 -0.908 414 HG23 ILE 58 3HG2 ILE 58 -3.096 -4.450 -0.770 415 HD11 ILE 58 3HD1 ILE 58 -2.174 -2.733 1.606 416 HD12 ILE 58 1HD1 ILE 58 -2.657 -2.544 -0.080 417 HD13 ILE 58 2HD1 ILE 58 -3.096 -1.316 1.107 418 H LEU 59 H LEU 59 -6.402 -3.878 3.479 419 HA LEU 59 HA LEU 59 -8.498 -2.823 1.698 420 HB3 LEU 59 2HB LEU 59 -9.600 -2.314 4.016 421 HG LEU 59 HG LEU 59 -9.531 -5.056 2.788 422 HD11 LEU 59 1HD1 LEU 59 -10.107 -4.665 5.425 423 HD12 LEU 59 2HD1 LEU 59 -10.750 -5.968 4.426 424 HD13 LEU 59 3HD1 LEU 59 -11.694 -4.499 4.673 425 HD21 LEU 59 3HD2 LEU 59 -11.713 -4.488 1.994 426 HD22 LEU 59 1HD2 LEU 59 -10.627 -3.157 1.591 427 HD23 LEU 59 2HD2 LEU 59 -11.736 -3.008 2.956 428 H VAL 60 H VAL 60 -9.268 -0.621 2.249 429 HA VAL 60 HA VAL 60 -7.193 1.055 3.481 430 HB VAL 60 HB VAL 60 -8.531 1.626 0.832 431 HG11 VAL 60 1HG1 VAL 60 -7.151 3.643 0.783 432 HG12 VAL 60 2HG1 VAL 60 -8.248 3.654 2.165 433 HG13 VAL 60 3HG1 VAL 60 -6.541 3.271 2.395 434 HG21 VAL 60 3HG2 VAL 60 -6.683 -0.062 0.816 435 HG22 VAL 60 1HG2 VAL 60 -6.371 1.375 -0.157 436 HG23 VAL 60 2HG2 VAL 60 -5.606 1.195 1.422 437 H ASN 61 H ASN 61 -8.059 2.236 5.045 438 HA ASN 61 HA ASN 61 -9.553 3.374 6.329 439 HB3 ASN 61 2HB ASN 61 -11.110 4.078 3.862 440 HD21 ASN 61 1HD2 ASN 61 -11.093 6.650 3.937 441 HD22 ASN 61 2HD2 ASN 61 -11.601 7.291 5.459 442 H GLY 62 H GLY 62 -10.056 0.638 6.064 443 HA2 GLY 62 2HA GLY 62 -11.684 -0.898 6.573 444 HA3 GLY 62 3HA GLY 62 -12.694 0.466 7.033 445 H ASN 63 H ASN 63 -11.336 -0.218 3.841 446 HA ASN 63 HA ASN 63 -13.642 -1.391 2.730 447 HB3 ASN 63 2HB ASN 63 -13.345 1.577 2.214 448 HD21 ASN 63 1HD2 ASN 63 -15.692 -1.058 1.816 449 HD22 ASN 63 2HD2 ASN 63 -16.132 -0.647 0.196 450 H ASN 64 H ASN 64 -13.477 -1.689 0.416 451 HA ASN 64 HA ASN 64 -10.695 -1.725 -0.443 452 HB3 ASN 64 2HB ASN 64 -11.915 -3.790 -0.720 453 HD21 ASN 64 1HD2 ASN 64 -14.035 -3.697 0.079 454 HD22 ASN 64 2HD2 ASN 64 -15.385 -3.487 -0.979 455 H ILE 65 H ILE 65 -9.853 -0.309 -1.819 456 HA ILE 65 HA ILE 65 -11.180 1.953 -2.732 457 HB ILE 65 HB ILE 65 -9.272 2.374 -4.167 458 HG13 ILE 65 2HG1 ILE 65 -9.016 0.138 -5.126 459 HG21 ILE 65 1HG2 ILE 65 -9.175 1.950 -1.410 460 HG22 ILE 65 2HG2 ILE 65 -7.695 1.232 -2.045 461 HG23 ILE 65 3HG2 ILE 65 -8.069 2.922 -2.381 462 HD11 ILE 65 3HD1 ILE 65 -6.929 0.640 -5.629 463 HD12 ILE 65 1HD1 ILE 65 -6.829 1.706 -4.228 464 HD13 ILE 65 2HD1 ILE 65 -6.404 0.002 -4.072 465 H THR 66 H THR 66 -10.860 -1.206 -4.185 466 HA THR 66 HA THR 66 -11.530 -0.621 -6.827 467 HB THR 66 HB THR 66 -12.115 -2.923 -7.095 468 HG1 THR 66 1HG THR 66 -12.069 -3.420 -4.327 469 HG21 THR 66 3HG2 THR 66 -9.709 -2.153 -6.198 470 HG22 THR 66 1HG2 THR 66 -10.093 -3.829 -6.587 471 HG23 THR 66 2HG2 THR 66 -10.146 -3.276 -4.912 472 H SER 67 H SER 67 -13.502 -0.752 -3.972 473 HA SER 67 HA SER 67 -16.024 -1.228 -4.951 474 HB3 SER 67 2HB SER 67 -15.111 0.690 -2.800 475 HG SER 67 HG SER 67 -17.156 1.099 -2.332 476 H MET 68 H MET 68 -14.255 1.848 -4.945 477 HA MET 68 HA MET 68 -16.225 2.880 -6.879 478 HB3 MET 68 2HB MET 68 -16.592 4.462 -5.322 479 HG3 MET 68 2HG MET 68 -13.901 3.908 -4.097 480 HE1 MET 68 3HE MET 68 -16.556 4.814 -1.169 481 HE2 MET 68 1HE MET 68 -17.384 6.024 -2.151 482 HE3 MET 68 2HE MET 68 -17.245 4.364 -2.730 483 H LYS 69 H LYS 69 -13.034 4.014 -5.800 484 HA LYS 69 HA LYS 69 -12.106 3.793 -8.589 485 HB3 LYS 69 2HB LYS 69 -10.606 5.816 -7.848 486 HG3 LYS 69 2HG LYS 69 -13.535 6.151 -8.462 487 HD3 LYS 69 2HD LYS 69 -11.542 8.096 -7.793 488 HE3 LYS 69 2HE LYS 69 -11.183 7.809 -10.342 489 HZ1 LYS 69 3HZ LYS 69 -12.882 8.228 -11.675 490 HZ2 LYS 69 1HZ LYS 69 -13.154 9.731 -10.948 491 HZ3 LYS 69 2HZ LYS 69 -13.905 8.346 -10.333 492 H GLY 70 H GLY 70 -10.221 2.763 -8.902 493 HA2 GLY 70 2HA GLY 70 -9.020 1.253 -6.876 494 HA3 GLY 70 3HA GLY 70 -8.308 1.582 -8.449 495 H LEU 71 H LEU 71 -6.693 3.066 -8.631 496 HA LEU 71 HA LEU 71 -5.379 3.852 -6.206 497 HB3 LEU 71 2HB LEU 71 -4.387 5.105 -8.633 498 HG LEU 71 HG LEU 71 -3.006 4.589 -6.575 499 HD11 LEU 71 1HD1 LEU 71 -3.801 2.310 -6.213 500 HD12 LEU 71 2HD1 LEU 71 -2.050 2.352 -6.420 501 HD13 LEU 71 3HD1 LEU 71 -3.081 1.810 -7.744 502 HD21 LEU 71 3HD2 LEU 71 -2.132 5.174 -8.871 503 HD22 LEU 71 1HD2 LEU 71 -1.888 3.445 -9.125 504 HD23 LEU 71 2HD2 LEU 71 -1.023 4.276 -7.831 505 H ASP 72 H ASP 72 -7.711 5.260 -8.242 506 HA ASP 72 HA ASP 72 -7.036 8.004 -7.768 507 HB3 ASP 72 2HB ASP 72 -9.642 8.111 -8.489 508 H THR 73 H THR 73 -8.371 5.604 -5.856 509 HA THR 73 HA THR 73 -10.363 6.953 -4.418 510 HB THR 73 HB THR 73 -8.800 4.509 -4.070 511 HG1 THR 73 1HG THR 73 -11.427 5.286 -3.270 512 HG21 THR 73 3HG2 THR 73 -8.057 5.496 -2.015 513 HG22 THR 73 1HG2 THR 73 -9.325 4.333 -1.627 514 HG23 THR 73 2HG2 THR 73 -9.684 6.060 -1.637 515 H GLU 74 H GLU 74 -10.298 8.528 -2.946 516 HA GLU 74 HA GLU 74 -7.774 9.716 -2.241 517 HB3 GLU 74 2HB GLU 74 -9.736 11.107 -2.741 518 HG3 GLU 74 2HG GLU 74 -10.886 10.177 -0.125 519 H ILE 75 H ILE 75 -7.433 10.401 0.101 520 HA ILE 75 HA ILE 75 -8.397 8.488 2.067 521 HB ILE 75 HB ILE 75 -5.968 8.141 2.841 522 HG13 ILE 75 2HG1 ILE 75 -5.101 9.866 1.191 523 HG21 ILE 75 1HG2 ILE 75 -6.826 6.805 0.280 524 HG22 ILE 75 2HG2 ILE 75 -5.758 6.148 1.518 525 HG23 ILE 75 3HG2 ILE 75 -7.464 6.411 1.876 526 HD11 ILE 75 3HD1 ILE 75 -3.130 8.951 1.570 527 HD12 ILE 75 1HD1 ILE 75 -3.906 7.420 1.975 528 HD13 ILE 75 2HD1 ILE 75 -3.439 7.759 0.307 529 H LYS 76 H LYS 76 -8.664 9.417 4.000 530 HA LYS 76 HA LYS 76 -7.616 12.131 4.369 531 HB3 LYS 76 2HB LYS 76 -9.975 12.070 4.622 532 HG3 LYS 76 2HG LYS 76 -9.613 9.779 6.545 533 HD3 LYS 76 2HD LYS 76 -12.075 9.781 6.638 534 HE3 LYS 76 2HE LYS 76 -11.469 12.559 7.419 535 HZ1 LYS 76 3HZ LYS 76 -12.421 11.880 9.444 536 HZ2 LYS 76 1HZ LYS 76 -12.211 10.237 9.102 537 HZ3 LYS 76 2HZ LYS 76 -13.354 11.141 8.244 538 H ASP 77 H ASP 77 -7.157 12.699 6.734 539 HA ASP 77 HA ASP 77 -4.936 11.284 7.620 540 HB3 ASP 77 2HB ASP 77 -5.460 13.625 8.246 541 H ASP 78 H ASP 78 -8.311 10.779 8.260 542 HA ASP 78 HA ASP 78 -7.891 9.052 10.523 543 HB3 ASP 78 2HB ASP 78 -10.418 9.141 8.900 544 H ASP 79 H ASP 79 -8.063 8.711 7.086 545 HA ASP 79 HA ASP 79 -8.846 6.093 6.741 546 HB3 ASP 79 2HB ASP 79 -7.892 8.013 5.087 547 H LYS 80 H LYS 80 -7.784 4.103 6.666 548 HA LYS 80 HA LYS 80 -5.053 3.946 7.672 549 HB3 LYS 80 2HB LYS 80 -5.500 2.720 9.577 550 HG3 LYS 80 2HG LYS 80 -8.045 4.318 9.400 551 HD3 LYS 80 2HD LYS 80 -6.511 3.027 11.617 552 HE3 LYS 80 2HE LYS 80 -7.882 4.473 13.176 553 HZ1 LYS 80 3HZ LYS 80 -5.515 4.828 12.942 554 HZ2 LYS 80 1HZ LYS 80 -6.306 6.314 13.106 555 HZ3 LYS 80 2HZ LYS 80 -5.759 5.810 11.587 556 H ILE 81 H ILE 81 -3.942 2.453 6.591 557 HA ILE 81 HA ILE 81 -5.443 0.492 4.998 558 HB ILE 81 HB ILE 81 -2.597 1.450 4.674 559 HG13 ILE 81 2HG1 ILE 81 -5.203 2.227 3.448 560 HG21 ILE 81 1HG2 ILE 81 -4.242 -0.461 3.025 561 HG22 ILE 81 2HG2 ILE 81 -2.692 0.214 2.526 562 HG23 ILE 81 3HG2 ILE 81 -2.782 -0.833 3.942 563 HD11 ILE 81 3HD1 ILE 81 -4.257 3.858 4.877 564 HD12 ILE 81 1HD1 ILE 81 -2.671 3.692 4.125 565 HD13 ILE 81 2HD1 ILE 81 -4.004 4.412 3.222 566 H ASP 82 H ASP 82 -5.111 -1.665 5.203 567 HA ASP 82 HA ASP 82 -2.968 -2.600 6.969 568 HB3 ASP 82 2HB ASP 82 -4.399 -3.915 8.315 569 H LEU 83 H LEU 83 -1.986 -4.403 6.266 570 HA LEU 83 HA LEU 83 -3.088 -5.686 3.867 571 HB3 LEU 83 2HB LEU 83 -0.561 -6.682 4.150 572 HG LEU 83 HG LEU 83 -1.591 -4.372 2.579 573 HD11 LEU 83 1HD1 LEU 83 0.804 -3.954 3.563 574 HD12 LEU 83 2HD1 LEU 83 0.449 -3.612 1.871 575 HD13 LEU 83 3HD1 LEU 83 1.284 -5.101 2.312 576 HD21 LEU 83 3HD2 LEU 83 0.022 -6.395 1.266 577 HD22 LEU 83 1HD2 LEU 83 -1.629 -5.872 0.933 578 HD23 LEU 83 2HD2 LEU 83 -1.324 -7.093 2.169 579 H PHE 84 H PHE 84 -3.674 -7.776 3.846 580 HA PHE 84 HA PHE 84 -3.087 -9.389 6.241 581 HB3 PHE 84 2HB PHE 84 -5.340 -10.536 5.591 582 HD1 PHE 84 2HD PHE 84 -4.191 -9.871 8.054 583 HD2 PHE 84 1HD PHE 84 -7.084 -7.665 5.844 584 HE1 PHE 84 2HE PHE 84 -4.974 -8.817 10.136 585 HE2 PHE 84 1HE PHE 84 -7.870 -6.607 7.922 586 HZ PHE 84 HZ PHE 84 -6.815 -7.183 10.071 587 HA PRO 85 HA PRO 85 -1.359 -12.392 3.536 588 HB3 PRO 85 2HB PRO 85 -0.505 -13.390 5.422 589 HG3 PRO 85 2HG PRO 85 -1.703 -13.412 7.414 590 HD3 PRO 85 2HD PRO 85 -1.848 -11.173 6.889 591 HA PRO 86 HA PRO 86 -4.536 -14.338 1.197 592 HB3 PRO 86 2HB PRO 86 -2.922 -14.844 -0.357 593 HG3 PRO 86 2HG PRO 86 -0.773 -15.446 0.298 594 HD3 PRO 86 2HD PRO 86 -1.045 -13.526 1.543 595 H VAL 87 H VAL 87 -6.075 -15.957 1.279 596 HA VAL 87 HA VAL 87 -6.552 -17.244 3.688 597 HB VAL 87 HB VAL 87 -8.240 -18.576 2.513 598 HG11 VAL 87 1HG1 VAL 87 -9.419 -16.609 1.363 599 HG12 VAL 87 2HG1 VAL 87 -9.010 -16.441 3.072 600 HG13 VAL 87 3HG1 VAL 87 -8.013 -15.660 1.844 601 HG21 VAL 87 3HG2 VAL 87 -7.337 -19.261 0.500 602 HG22 VAL 87 1HG2 VAL 87 -8.447 -17.993 -0.020 603 HG23 VAL 87 2HG2 VAL 87 -6.721 -17.657 0.109 604 H ALA 88 H ALA 88 -4.758 -18.330 0.885 605 HA ALA 88 HA ALA 88 -4.546 -21.054 1.785 606 HB1 ALA 88 1HB ALA 88 -3.077 -19.569 -0.391 607 HB2 ALA 88 2HB ALA 88 -2.971 -21.306 -0.097 608 HB3 ALA 88 3HB ALA 88 -4.505 -20.587 -0.586 609 H GLY 89 H GLY 89 -2.283 -18.309 1.523 610 HA2 GLY 89 2HA GLY 89 -0.081 -19.612 2.697 611 HA3 GLY 89 3HA GLY 89 -0.306 -17.872 2.603 612 H GLY 90 H GLY 90 0.907 -19.192 4.780 613 HA2 GLY 90 2HA GLY 90 -1.126 -19.159 6.891 614 HA3 GLY 90 3HA GLY 90 0.517 -19.761 7.050 Start of MODEL 20 1 H1 MET 1 H MET 1 -2.380 13.243 7.269 2 HA MET 1 HA MET 1 -0.102 11.474 6.993 3 HB3 MET 1 2HB MET 1 -2.059 11.576 9.286 4 HG3 MET 1 2HG MET 1 -0.051 9.842 8.957 5 HE1 MET 1 3HE MET 1 0.488 13.291 10.871 6 HE2 MET 1 1HE MET 1 0.763 11.996 12.038 7 HE3 MET 1 2HE MET 1 2.108 13.005 11.507 8 H VAL 2 H VAL 2 -0.169 9.236 6.954 9 HA VAL 2 HA VAL 2 -2.786 7.938 6.783 10 HB VAL 2 HB VAL 2 -1.925 6.613 4.790 11 HG11 VAL 2 1HG1 VAL 2 -2.792 9.465 4.740 12 HG12 VAL 2 2HG1 VAL 2 -2.381 8.664 3.221 13 HG13 VAL 2 3HG1 VAL 2 -3.662 8.013 4.244 14 HG21 VAL 2 3HG2 VAL 2 -0.093 7.286 3.586 15 HG22 VAL 2 1HG2 VAL 2 -0.191 8.950 4.161 16 HG23 VAL 2 2HG2 VAL 2 0.442 7.688 5.218 17 H THR 3 H THR 3 -2.835 5.974 7.708 18 HA THR 3 HA THR 3 -0.279 4.872 8.662 19 HB THR 3 HB THR 3 -2.927 4.003 9.760 20 HG1 THR 3 1HG THR 3 -2.588 5.754 11.342 21 HG21 THR 3 3HG2 THR 3 -0.097 3.795 10.466 22 HG22 THR 3 1HG2 THR 3 -1.459 2.781 10.941 23 HG23 THR 3 2HG2 THR 3 -1.127 4.278 11.813 24 H VAL 4 H VAL 4 0.350 2.862 8.108 25 HA VAL 4 HA VAL 4 -1.533 1.230 6.531 26 HB VAL 4 HB VAL 4 1.461 1.397 6.157 27 HG11 VAL 4 1HG1 VAL 4 0.770 0.152 3.995 28 HG12 VAL 4 2HG1 VAL 4 0.891 -0.754 5.504 29 HG13 VAL 4 3HG1 VAL 4 -0.690 -0.260 4.896 30 HG21 VAL 4 3HG2 VAL 4 0.999 3.255 5.005 31 HG22 VAL 4 1HG2 VAL 4 0.251 2.193 3.812 32 HG23 VAL 4 2HG2 VAL 4 -0.738 2.955 5.057 33 H ARG 5 H ARG 5 -1.489 -1.000 6.821 34 HA ARG 5 HA ARG 5 -0.068 -1.897 9.240 35 HB3 ARG 5 2HB ARG 5 -2.111 -3.736 8.594 36 HG3 ARG 5 2HG ARG 5 -2.555 -1.624 10.644 37 HD3 ARG 5 2HD ARG 5 -2.653 -4.574 11.070 38 HE ARG 5 HE ARG 5 -3.713 -2.294 12.420 39 HH11 ARG 5 1HH1 ARG 5 -4.267 -5.663 11.738 40 HH12 ARG 5 2HH1 ARG 5 -5.211 -5.931 13.166 41 HH21 ARG 5 1HH2 ARG 5 -4.954 -2.635 14.304 42 HH22 ARG 5 2HH2 ARG 5 -5.601 -4.208 14.624 43 H TYR 6 H TYR 6 0.959 -3.901 9.245 44 HA TYR 6 HA TYR 6 1.194 -5.266 6.653 45 HB3 TYR 6 2HB TYR 6 3.645 -5.549 7.106 46 HD1 TYR 6 2HD TYR 6 1.875 -4.219 5.103 47 HD2 TYR 6 1HD TYR 6 4.774 -2.600 7.762 48 HE1 TYR 6 2HE TYR 6 2.222 -2.332 3.566 49 HE2 TYR 6 1HE TYR 6 5.129 -0.707 6.232 50 HH TYR 6 HH TYR 6 3.760 0.478 4.421 51 H TYR 7 H TYR 7 1.671 -7.480 6.754 52 HA TYR 7 HA TYR 7 1.237 -8.681 9.407 53 HB3 TYR 7 2HB TYR 7 0.697 -10.695 7.642 54 HD1 TYR 7 2HD TYR 7 -1.062 -7.523 8.562 55 HD2 TYR 7 1HD TYR 7 -1.097 -11.778 8.596 56 HE1 TYR 7 2HE TYR 7 -3.175 -7.489 9.821 57 HE2 TYR 7 1HE TYR 7 -3.211 -11.756 9.853 58 HH TYR 7 HH TYR 7 -4.387 -9.107 11.428 59 H ALA 8 H ALA 8 1.993 -11.197 9.123 60 HA ALA 8 HA ALA 8 4.770 -11.160 9.329 61 HB1 ALA 8 1HB ALA 8 2.685 -13.232 9.228 62 HB2 ALA 8 2HB ALA 8 4.303 -13.762 8.766 63 HB3 ALA 8 3HB ALA 8 4.033 -13.027 10.347 64 H THR 9 H THR 9 2.767 -11.311 6.542 65 HA THR 9 HA THR 9 4.685 -12.530 4.796 66 HB THR 9 HB THR 9 2.366 -12.724 4.202 67 HG1 THR 9 1HG THR 9 2.814 -12.453 2.146 68 HG21 THR 9 3HG2 THR 9 0.923 -11.081 4.622 69 HG22 THR 9 1HG2 THR 9 1.669 -10.113 3.352 70 HG23 THR 9 2HG2 THR 9 2.253 -9.990 5.011 71 H LEU 10 H LEU 10 4.039 -9.316 5.909 72 HA LEU 10 HA LEU 10 5.726 -8.135 3.833 73 HB3 LEU 10 2HB LEU 10 5.080 -6.012 5.246 74 HG LEU 10 HG LEU 10 2.898 -5.756 4.087 75 HD11 LEU 10 1HD1 LEU 10 4.343 -4.928 2.604 76 HD12 LEU 10 2HD1 LEU 10 4.148 -6.454 1.744 77 HD13 LEU 10 3HD1 LEU 10 5.495 -6.238 2.860 78 HD21 LEU 10 3HD2 LEU 10 2.114 -8.033 4.135 79 HD22 LEU 10 1HD2 LEU 10 3.486 -8.566 3.163 80 HD23 LEU 10 2HD2 LEU 10 2.262 -7.508 2.457 81 H ARG 11 H ARG 11 6.310 -9.719 6.562 82 HA ARG 11 HA ARG 11 7.924 -8.037 8.119 83 HB3 ARG 11 2HB ARG 11 7.582 -10.964 7.800 84 HG3 ARG 11 2HG ARG 11 10.045 -9.741 8.987 85 HD3 ARG 11 2HD ARG 11 8.406 -11.759 10.176 86 HE ARG 11 HE ARG 11 10.995 -12.970 9.962 87 HH11 ARG 11 1HH1 ARG 11 7.818 -12.782 8.550 88 HH12 ARG 11 2HH1 ARG 11 7.905 -14.354 7.825 89 HH21 ARG 11 1HH2 ARG 11 11.122 -15.041 9.013 90 HH22 ARG 11 2HH2 ARG 11 9.784 -15.638 8.090 91 HA PRO 12 HA PRO 12 11.698 -9.690 5.594 92 HB3 PRO 12 2HB PRO 12 11.328 -11.848 4.896 93 HG3 PRO 12 2HG PRO 12 9.198 -12.570 4.307 94 HD3 PRO 12 2HD PRO 12 8.739 -11.600 6.348 95 H ILE 13 H ILE 13 8.927 -8.179 4.382 96 HA ILE 13 HA ILE 13 10.300 -7.043 2.064 97 HB ILE 13 HB ILE 13 7.508 -6.312 2.869 98 HG13 ILE 13 2HG1 ILE 13 7.537 -8.741 2.972 99 HG21 ILE 13 1HG2 ILE 13 8.832 -5.220 0.979 100 HG22 ILE 13 2HG2 ILE 13 8.625 -6.744 0.117 101 HG23 ILE 13 3HG2 ILE 13 7.212 -5.805 0.600 102 HD11 ILE 13 3HD1 ILE 13 5.981 -7.322 1.070 103 HD12 ILE 13 1HD1 ILE 13 6.403 -8.894 0.393 104 HD13 ILE 13 2HD1 ILE 13 5.582 -8.797 1.952 105 H THR 14 H THR 14 8.287 -5.761 4.720 106 HA THR 14 HA THR 14 9.648 -3.195 4.502 107 HB THR 14 HB THR 14 7.159 -3.313 4.745 108 HG1 THR 14 1HG THR 14 8.840 -1.885 6.490 109 HG21 THR 14 3HG2 THR 14 7.827 -5.011 6.910 110 HG22 THR 14 1HG2 THR 14 6.223 -4.531 6.357 111 HG23 THR 14 2HG2 THR 14 7.054 -3.577 7.585 112 H LYS 15 H LYS 15 10.657 -5.859 5.782 113 HA LYS 15 HA LYS 15 11.974 -6.489 7.530 114 HB3 LYS 15 2HB LYS 15 13.571 -4.897 8.296 115 HG3 LYS 15 2HG LYS 15 12.797 -3.857 5.584 116 HD3 LYS 15 2HD LYS 15 15.345 -3.805 5.406 117 HE3 LYS 15 2HE LYS 15 13.718 -1.845 5.868 118 HZ1 LYS 15 3HZ LYS 15 13.257 -1.664 8.042 119 HZ2 LYS 15 1HZ LYS 15 14.750 -0.872 8.129 120 HZ3 LYS 15 2HZ LYS 15 14.639 -2.510 8.532 121 H LYS 16 H LYS 16 9.157 -5.847 8.062 122 HA LYS 16 HA LYS 16 7.712 -5.634 9.808 123 HB3 LYS 16 2HB LYS 16 8.898 -6.239 12.105 124 HG3 LYS 16 2HG LYS 16 8.899 -8.453 10.105 125 HD3 LYS 16 2HD LYS 16 7.774 -9.631 11.960 126 HE3 LYS 16 2HE LYS 16 10.127 -8.429 13.293 127 HZ1 LYS 16 3HZ LYS 16 8.904 -11.019 12.960 128 HZ2 LYS 16 1HZ LYS 16 9.827 -10.415 14.242 129 HZ3 LYS 16 2HZ LYS 16 10.593 -11.044 12.873 130 H LYS 17 H LYS 17 7.387 -3.404 9.638 131 HA LYS 17 HA LYS 17 7.916 -1.897 11.944 132 HB3 LYS 17 2HB LYS 17 9.259 -0.191 10.193 133 HG3 LYS 17 2HG LYS 17 10.842 -1.947 11.997 134 HD3 LYS 17 2HD LYS 17 10.891 0.970 12.268 135 HE3 LYS 17 2HE LYS 17 13.333 0.546 12.013 136 HZ1 LYS 17 3HZ LYS 17 11.754 -0.942 14.011 137 HZ2 LYS 17 1HZ LYS 17 12.662 0.471 14.212 138 HZ3 LYS 17 2HZ LYS 17 13.444 -1.016 14.020 139 H GLU 18 H GLU 18 6.126 -0.731 12.081 140 HA GLU 18 HA GLU 18 4.906 0.280 9.601 141 HB3 GLU 18 2HB GLU 18 3.727 -0.458 12.272 142 HG3 GLU 18 2HG GLU 18 2.349 0.988 10.022 143 H GLU 19 H GLU 19 4.319 2.418 9.412 144 HA GLU 19 HA GLU 19 4.621 4.244 11.627 145 HB3 GLU 19 2HB GLU 19 6.225 5.680 10.184 146 HG3 GLU 19 2HG GLU 19 8.191 4.719 11.125 147 H THR 20 H THR 20 3.938 6.428 11.089 148 HA THR 20 HA THR 20 2.014 6.417 8.866 149 HB THR 20 HB THR 20 1.023 8.413 10.110 150 HG1 THR 20 1HG THR 20 2.343 9.046 11.663 151 HG21 THR 20 3HG2 THR 20 0.810 6.132 11.964 152 HG22 THR 20 1HG2 THR 20 0.487 5.764 10.270 153 HG23 THR 20 2HG2 THR 20 -0.450 7.009 11.097 154 H PHE 21 H PHE 21 2.164 7.842 7.235 155 HA PHE 21 HA PHE 21 4.091 10.051 7.487 156 HB3 PHE 21 2HB PHE 21 5.274 8.492 6.171 157 HD1 PHE 21 2HD PHE 21 4.298 6.245 6.422 158 HD2 PHE 21 1HD PHE 21 2.982 8.944 3.404 159 HE1 PHE 21 2HE PHE 21 3.239 4.377 5.217 160 HE2 PHE 21 1HE PHE 21 1.921 7.082 2.196 161 HZ PHE 21 HZ PHE 21 2.047 4.795 3.102 162 H ASN 22 H ASN 22 3.576 11.950 6.422 163 HA ASN 22 HA ASN 22 0.838 12.073 5.344 164 HB3 ASN 22 2HB ASN 22 1.403 13.323 7.518 165 HD21 ASN 22 1HD2 ASN 22 1.308 16.216 6.867 166 HD22 ASN 22 2HD2 ASN 22 2.961 16.704 6.747 167 H GLY 23 H GLY 23 0.466 13.799 3.721 168 HA2 GLY 23 2HA GLY 23 2.157 15.326 2.326 169 HA3 GLY 23 3HA GLY 23 2.602 13.726 1.747 170 H ILE 24 H ILE 24 0.791 12.389 0.874 171 HA ILE 24 HA ILE 24 -1.114 14.115 -0.568 172 HB ILE 24 HB ILE 24 0.258 11.577 -1.436 173 HG13 ILE 24 2HG1 ILE 24 0.604 14.405 -1.937 174 HG21 ILE 24 1HG2 ILE 24 -1.131 11.792 -3.519 175 HG22 ILE 24 2HG2 ILE 24 -2.007 11.269 -2.082 176 HG23 ILE 24 3HG2 ILE 24 -2.144 12.937 -2.639 177 HD11 ILE 24 3HD1 ILE 24 2.117 11.975 -2.858 178 HD12 ILE 24 1HD1 ILE 24 2.637 13.639 -3.119 179 HD13 ILE 24 2HD1 ILE 24 2.493 13.007 -1.479 180 H SER 25 H SER 25 -3.239 13.674 -0.449 181 HA SER 25 HA SER 25 -4.066 11.517 1.332 182 HB3 SER 25 2HB SER 25 -5.154 13.476 1.959 183 HG SER 25 HG SER 25 -4.924 15.012 0.527 184 H LYS 26 H LYS 26 -3.196 10.292 -0.805 185 HA LYS 26 HA LYS 26 -5.599 9.198 -1.997 186 HB3 LYS 26 2HB LYS 26 -4.250 9.334 -4.290 187 HG3 LYS 26 2HG LYS 26 -5.734 11.772 -3.353 188 HD3 LYS 26 2HD LYS 26 -6.291 10.686 -5.990 189 HE3 LYS 26 2HE LYS 26 -5.177 13.365 -5.172 190 HZ1 LYS 26 3HZ LYS 26 -5.211 12.927 -7.554 191 HZ2 LYS 26 1HZ LYS 26 -6.330 14.127 -7.143 192 HZ3 LYS 26 2HZ LYS 26 -6.861 12.557 -7.482 193 H ILE 27 H ILE 27 -5.261 7.139 -2.993 194 HA ILE 27 HA ILE 27 -3.181 5.625 -1.727 195 HB ILE 27 HB ILE 27 -5.230 4.789 -3.783 196 HG13 ILE 27 2HG1 ILE 27 -6.439 3.839 -1.902 197 HG21 ILE 27 1HG2 ILE 27 -3.341 3.138 -2.114 198 HG22 ILE 27 2HG2 ILE 27 -4.686 2.487 -3.049 199 HG23 ILE 27 3HG2 ILE 27 -3.348 3.291 -3.870 200 HD11 ILE 27 3HD1 ILE 27 -4.648 3.249 -0.402 201 HD12 ILE 27 1HD1 ILE 27 -4.245 4.950 -0.171 202 HD13 ILE 27 2HD1 ILE 27 -5.786 4.323 0.413 203 H SER 28 H SER 28 -3.636 7.112 -4.819 204 HA SER 28 HA SER 28 -1.937 5.589 -6.419 205 HB3 SER 28 2HB SER 28 -2.997 8.357 -6.482 206 HG SER 28 HG SER 28 -0.818 7.568 -8.124 207 H GLU 29 H GLU 29 -1.177 8.518 -4.534 208 HA GLU 29 HA GLU 29 1.626 8.338 -5.069 209 HB3 GLU 29 2HB GLU 29 1.670 10.042 -3.092 210 HG3 GLU 29 2HG GLU 29 1.958 10.829 -5.329 211 H LEU 30 H LEU 30 -0.494 7.329 -2.455 212 HA LEU 30 HA LEU 30 1.397 6.750 -0.497 213 HB3 LEU 30 2HB LEU 30 -0.995 5.007 -0.956 214 HG LEU 30 HG LEU 30 0.144 6.176 1.582 215 HD11 LEU 30 1HD1 LEU 30 -1.837 4.098 1.883 216 HD12 LEU 30 2HD1 LEU 30 -2.493 5.494 1.028 217 HD13 LEU 30 3HD1 LEU 30 -1.761 5.700 2.619 218 HD21 LEU 30 3HD2 LEU 30 0.251 3.471 0.308 219 HD22 LEU 30 1HD2 LEU 30 0.324 3.639 2.063 220 HD23 LEU 30 2HD2 LEU 30 1.546 4.410 1.051 221 H LEU 31 H LEU 31 0.034 4.567 -2.963 222 HA LEU 31 HA LEU 31 1.774 2.411 -2.296 223 HB3 LEU 31 2HB LEU 31 0.961 1.873 -4.839 224 HG LEU 31 HG LEU 31 -0.805 1.484 -2.424 225 HD11 LEU 31 1HD1 LEU 31 -0.959 0.627 -5.240 226 HD12 LEU 31 2HD1 LEU 31 -2.238 0.864 -4.050 227 HD13 LEU 31 3HD1 LEU 31 -1.282 -0.616 -4.030 228 HD21 LEU 31 3HD2 LEU 31 0.248 -0.840 -2.543 229 HD22 LEU 31 1HD2 LEU 31 1.235 0.466 -1.885 230 HD23 LEU 31 2HD2 LEU 31 1.497 -0.090 -3.538 231 H GLU 32 H GLU 32 1.803 4.944 -4.757 232 HA GLU 32 HA GLU 32 3.948 4.013 -6.290 233 HB3 GLU 32 2HB GLU 32 3.042 6.840 -5.729 234 HG3 GLU 32 2HG GLU 32 4.954 5.800 -7.798 235 H ARG 33 H ARG 33 3.889 6.000 -3.370 236 HA ARG 33 HA ARG 33 6.692 6.508 -3.343 237 HB3 ARG 33 2HB ARG 33 6.117 7.001 -0.830 238 HG3 ARG 33 2HG ARG 33 5.074 8.570 -3.163 239 HD3 ARG 33 2HD ARG 33 5.166 9.419 -0.270 240 HE ARG 33 HE ARG 33 3.893 11.129 -2.199 241 HH11 ARG 33 1HH1 ARG 33 6.883 10.344 -0.597 242 HH12 ARG 33 2HH1 ARG 33 7.573 11.916 -0.832 243 HH21 ARG 33 1HH2 ARG 33 4.791 13.202 -2.514 244 HH22 ARG 33 2HH2 ARG 33 6.382 13.541 -1.922 245 H LEU 34 H LEU 34 4.611 4.293 -1.489 246 HA LEU 34 HA LEU 34 6.657 3.072 -0.014 247 HB3 LEU 34 2HB LEU 34 5.019 1.180 0.221 248 HG LEU 34 HG LEU 34 3.731 3.865 0.702 249 HD11 LEU 34 1HD1 LEU 34 2.593 2.627 2.529 250 HD12 LEU 34 2HD1 LEU 34 3.272 1.133 1.885 251 HD13 LEU 34 3HD1 LEU 34 2.145 2.080 0.913 252 HD21 LEU 34 3HD2 LEU 34 4.807 2.833 3.071 253 HD22 LEU 34 1HD2 LEU 34 5.352 4.248 2.171 254 HD23 LEU 34 2HD2 LEU 34 6.078 2.672 1.856 255 H LYS 35 H LYS 35 5.485 2.525 -3.255 256 HA LYS 35 HA LYS 35 6.435 -0.011 -3.796 257 HB3 LYS 35 2HB LYS 35 6.123 2.450 -5.483 258 HG3 LYS 35 2HG LYS 35 7.121 -0.216 -6.465 259 HD3 LYS 35 2HD LYS 35 7.099 1.577 -8.570 260 HE3 LYS 35 2HE LYS 35 4.712 -0.116 -8.360 261 HZ1 LYS 35 3HZ LYS 35 5.135 -0.343 -10.512 262 HZ2 LYS 35 1HZ LYS 35 6.715 -0.880 -10.233 263 HZ3 LYS 35 2HZ LYS 35 6.391 0.777 -10.335 264 H VAL 36 H VAL 36 8.188 3.071 -4.129 265 HA VAL 36 HA VAL 36 10.659 1.761 -4.787 266 HB VAL 36 HB VAL 36 10.255 4.633 -3.948 267 HG11 VAL 36 1HG1 VAL 36 12.583 3.710 -3.931 268 HG12 VAL 36 2HG1 VAL 36 12.416 3.427 -5.666 269 HG13 VAL 36 3HG1 VAL 36 12.336 5.069 -5.026 270 HG21 VAL 36 3HG2 VAL 36 8.808 4.279 -5.798 271 HG22 VAL 36 1HG2 VAL 36 10.256 5.063 -6.430 272 HG23 VAL 36 2HG2 VAL 36 10.023 3.329 -6.652 273 H GLU 37 H GLU 37 9.256 3.261 -1.916 274 HA GLU 37 HA GLU 37 11.449 3.359 -0.249 275 HB3 GLU 37 2HB GLU 37 9.261 2.441 1.311 276 HG3 GLU 37 2HG GLU 37 10.869 4.285 1.848 277 H TYR 38 H TYR 38 9.202 0.631 -0.678 278 HA TYR 38 HA TYR 38 10.972 -1.100 0.853 279 HB3 TYR 38 2HB TYR 38 9.204 -2.748 0.713 280 HD1 TYR 38 2HD TYR 38 9.775 -1.253 2.934 281 HD2 TYR 38 1HD TYR 38 6.490 -0.682 0.292 282 HE1 TYR 38 2HE TYR 38 8.534 -0.123 4.732 283 HE2 TYR 38 1HE TYR 38 5.240 0.451 2.082 284 HH TYR 38 HH TYR 38 6.685 1.502 4.952 285 H GLY 39 H GLY 39 9.805 -0.679 -2.447 286 HA2 GLY 39 2HA GLY 39 11.541 -1.200 -4.164 287 HA3 GLY 39 3HA GLY 39 11.762 -2.720 -3.310 288 H SER 40 H SER 40 11.317 -3.051 -5.857 289 HA SER 40 HA SER 40 8.644 -3.044 -6.740 290 HB3 SER 40 2HB SER 40 9.524 -4.800 -8.398 291 HG SER 40 HG SER 40 11.286 -2.931 -8.904 292 H GLU 41 H GLU 41 10.506 -5.337 -4.874 293 HA GLU 41 HA GLU 41 9.035 -7.650 -5.142 294 HB3 GLU 41 2HB GLU 41 9.921 -6.882 -2.402 295 HG3 GLU 41 2HG GLU 41 10.719 -9.065 -2.236 296 H PHE 42 H PHE 42 8.463 -4.988 -2.852 297 HA PHE 42 HA PHE 42 6.206 -6.067 -1.606 298 HB3 PHE 42 2HB PHE 42 7.067 -3.207 -2.042 299 HD1 PHE 42 1HD PHE 42 4.892 -5.218 0.235 300 HD2 PHE 42 2HD PHE 42 5.512 -1.548 -1.829 301 HE1 PHE 42 1HE PHE 42 2.788 -4.345 1.163 302 HE2 PHE 42 2HE PHE 42 3.408 -0.668 -0.904 303 HZ PHE 42 HZ PHE 42 2.043 -2.067 0.593 304 H THR 43 H THR 43 6.383 -3.731 -4.289 305 HA THR 43 HA THR 43 3.654 -3.476 -4.759 306 HB THR 43 HB THR 43 5.439 -3.480 -7.135 307 HG1 THR 43 1HG THR 43 6.906 -2.487 -5.912 308 HG21 THR 43 3HG2 THR 43 3.999 -1.920 -7.896 309 HG22 THR 43 1HG2 THR 43 3.925 -1.086 -6.344 310 HG23 THR 43 2HG2 THR 43 2.945 -2.526 -6.619 311 H LYS 44 H LYS 44 5.954 -5.857 -5.997 312 HA LYS 44 HA LYS 44 4.073 -7.131 -7.731 313 HB3 LYS 44 2HB LYS 44 5.797 -8.913 -7.889 314 HG3 LYS 44 2HG LYS 44 7.767 -7.364 -8.533 315 HD3 LYS 44 2HD LYS 44 6.192 -6.396 -10.441 316 HE3 LYS 44 2HE LYS 44 6.717 -9.346 -10.083 317 HZ1 LYS 44 3HZ LYS 44 6.170 -7.685 -12.475 318 HZ2 LYS 44 1HZ LYS 44 5.338 -9.062 -11.952 319 HZ3 LYS 44 2HZ LYS 44 6.906 -9.206 -12.570 320 H GLN 45 H GLN 45 4.907 -7.414 -4.379 321 HA GLN 45 HA GLN 45 3.775 -10.020 -4.002 322 HB3 GLN 45 2HB GLN 45 4.129 -8.044 -1.777 323 HG3 GLN 45 2HG GLN 45 5.042 -10.011 -0.605 324 HE21 GLN 45 1HE2 GLN 45 3.243 -12.312 -0.945 325 HE22 GLN 45 2HE2 GLN 45 1.691 -11.772 -0.415 326 H MET 46 H MET 46 2.669 -6.697 -3.586 327 HA MET 46 HA MET 46 0.035 -7.673 -2.748 328 HB3 MET 46 2HB MET 46 0.779 -4.772 -2.887 329 HG3 MET 46 2HG MET 46 -0.829 -6.252 -0.826 330 HE1 MET 46 3HE MET 46 -2.320 -3.176 -2.393 331 HE2 MET 46 1HE MET 46 -1.508 -1.804 -1.637 332 HE3 MET 46 2HE MET 46 -0.649 -2.798 -2.814 333 H TYR 47 H TYR 47 1.502 -7.236 -5.555 334 HA TYR 47 HA TYR 47 -0.850 -7.043 -7.074 335 HB3 TYR 47 2HB TYR 47 0.698 -4.609 -7.697 336 HD1 TYR 47 2HD TYR 47 -2.658 -5.854 -6.607 337 HD2 TYR 47 1HD TYR 47 -0.442 -3.442 -9.323 338 HE1 TYR 47 2HE TYR 47 -4.735 -5.302 -7.803 339 HE2 TYR 47 1HE TYR 47 -2.513 -2.883 -10.526 340 HH TYR 47 HH TYR 47 -5.304 -2.963 -9.517 341 H ASP 48 H ASP 48 0.045 -8.767 -8.162 342 HA ASP 48 HA ASP 48 2.601 -8.379 -9.529 343 HB3 ASP 48 2HB ASP 48 0.853 -10.825 -9.194 344 H GLY 49 H GLY 49 2.009 -6.930 -11.155 345 HA2 GLY 49 2HA GLY 49 1.573 -6.655 -13.435 346 HA3 GLY 49 3HA GLY 49 0.708 -8.185 -13.431 347 H ASN 50 H ASN 50 -1.478 -8.236 -12.797 348 HA ASN 50 HA ASN 50 -2.775 -5.590 -12.747 349 HB3 ASN 50 2HB ASN 50 -4.266 -7.975 -13.734 350 HD21 ASN 50 1HD2 ASN 50 -3.216 -4.958 -15.225 351 HD22 ASN 50 2HD2 ASN 50 -4.793 -4.262 -15.348 352 H ASN 51 H ASN 51 -2.660 -8.825 -11.443 353 HA ASN 51 HA ASN 51 -4.395 -7.945 -9.246 354 HB3 ASN 51 2HB ASN 51 -5.824 -9.294 -10.656 355 HD21 ASN 51 1HD2 ASN 51 -6.016 -10.701 -12.244 356 HD22 ASN 51 2HD2 ASN 51 -4.897 -11.962 -12.622 357 H LEU 52 H LEU 52 -4.184 -9.355 -7.307 358 HA LEU 52 HA LEU 52 -1.594 -9.531 -6.405 359 HB3 LEU 52 2HB LEU 52 -2.429 -10.908 -4.594 360 HG LEU 52 HG LEU 52 -3.814 -9.435 -3.592 361 HD11 LEU 52 1HD1 LEU 52 -3.483 -7.735 -6.037 362 HD12 LEU 52 2HD1 LEU 52 -2.101 -8.171 -5.032 363 HD13 LEU 52 3HD1 LEU 52 -3.444 -7.263 -4.339 364 HD21 LEU 52 3HD2 LEU 52 -5.942 -9.524 -4.222 365 HD22 LEU 52 1HD2 LEU 52 -5.495 -10.050 -5.845 366 HD23 LEU 52 2HD2 LEU 52 -5.571 -8.330 -5.467 367 H PHE 53 H PHE 53 -0.228 -11.352 -5.909 368 HA PHE 53 HA PHE 53 -0.015 -13.167 -8.124 369 HB3 PHE 53 2HB PHE 53 1.609 -12.803 -5.605 370 HD1 PHE 53 1HD PHE 53 1.931 -14.387 -8.973 371 HD2 PHE 53 2HD PHE 53 2.751 -14.612 -4.802 372 HE1 PHE 53 1HE PHE 53 3.118 -16.513 -9.325 373 HE2 PHE 53 2HE PHE 53 3.941 -16.737 -5.147 374 HZ PHE 53 HZ PHE 53 4.124 -17.691 -7.411 375 H LYS 54 H LYS 54 -0.074 -13.770 -4.608 376 HA LYS 54 HA LYS 54 -1.053 -16.462 -5.075 377 HB3 LYS 54 2HB LYS 54 -0.385 -15.023 -2.500 378 HG3 LYS 54 2HG LYS 54 -1.917 -16.923 -2.144 379 HD3 LYS 54 2HD LYS 54 -0.362 -19.151 -2.489 380 HE3 LYS 54 2HE LYS 54 -2.268 -18.194 -4.605 381 HZ1 LYS 54 3HZ LYS 54 -2.915 -20.709 -3.938 382 HZ2 LYS 54 1HZ LYS 54 -1.240 -20.741 -3.705 383 HZ3 LYS 54 2HZ LYS 54 -1.875 -20.300 -5.208 384 H ASN 55 H ASN 55 -2.098 -13.666 -3.119 385 HA ASN 55 HA ASN 55 -4.681 -13.446 -3.877 386 HB3 ASN 55 2HB ASN 55 -5.504 -14.911 -1.660 387 HD21 ASN 55 1HD2 ASN 55 -5.722 -17.465 -3.129 388 HD22 ASN 55 2HD2 ASN 55 -6.870 -17.171 -4.386 389 H VAL 56 H VAL 56 -2.857 -11.738 -2.868 390 HA VAL 56 HA VAL 56 -3.087 -11.213 -0.096 391 HB VAL 56 HB VAL 56 -2.482 -9.119 -2.170 392 HG11 VAL 56 1HG1 VAL 56 -2.701 -8.339 0.120 393 HG12 VAL 56 2HG1 VAL 56 -1.532 -9.545 0.661 394 HG13 VAL 56 3HG1 VAL 56 -1.020 -8.236 -0.406 395 HG21 VAL 56 3HG2 VAL 56 -0.958 -11.540 -1.478 396 HG22 VAL 56 1HG2 VAL 56 -0.905 -10.539 -2.928 397 HG23 VAL 56 2HG2 VAL 56 -0.035 -10.037 -1.478 398 H ILE 57 H ILE 57 -4.426 -9.886 1.048 399 HA ILE 57 HA ILE 57 -6.602 -8.567 -0.434 400 HB ILE 57 HB ILE 57 -6.882 -10.089 2.160 401 HG13 ILE 57 2HG1 ILE 57 -6.701 -11.314 -0.139 402 HG21 ILE 57 1HG2 ILE 57 -9.406 -9.532 1.229 403 HG22 ILE 57 2HG2 ILE 57 -8.574 -8.681 2.531 404 HG23 ILE 57 3HG2 ILE 57 -8.521 -8.046 0.886 405 HD11 ILE 57 3HD1 ILE 57 -9.244 -12.090 1.137 406 HD12 ILE 57 1HD1 ILE 57 -7.850 -13.071 0.686 407 HD13 ILE 57 2HD1 ILE 57 -7.804 -12.096 2.156 408 H ILE 58 H ILE 58 -6.249 -6.456 -0.192 409 HA ILE 58 HA ILE 58 -5.648 -5.455 2.514 410 HB ILE 58 HB ILE 58 -3.702 -4.830 1.513 411 HG13 ILE 58 2HG1 ILE 58 -5.070 -2.774 2.104 412 HG21 ILE 58 1HG2 ILE 58 -3.971 -5.876 -0.588 413 HG22 ILE 58 2HG2 ILE 58 -5.233 -4.745 -1.072 414 HG23 ILE 58 3HG2 ILE 58 -3.564 -4.194 -0.931 415 HD11 ILE 58 3HD1 ILE 58 -2.673 -2.587 1.599 416 HD12 ILE 58 1HD1 ILE 58 -3.070 -2.358 -0.104 417 HD13 ILE 58 2HD1 ILE 58 -3.591 -1.169 1.090 418 H LEU 59 H LEU 59 -6.892 -3.836 3.287 419 HA LEU 59 HA LEU 59 -8.899 -2.681 1.465 420 HB3 LEU 59 2HB LEU 59 -10.085 -2.470 3.885 421 HG LEU 59 HG LEU 59 -11.313 -3.413 2.053 422 HD11 LEU 59 1HD1 LEU 59 -9.201 -5.485 2.174 423 HD12 LEU 59 2HD1 LEU 59 -10.014 -4.770 0.782 424 HD13 LEU 59 3HD1 LEU 59 -10.826 -6.010 1.737 425 HD21 LEU 59 3HD2 LEU 59 -12.079 -5.634 3.312 426 HD22 LEU 59 1HD2 LEU 59 -12.505 -4.022 3.886 427 HD23 LEU 59 2HD2 LEU 59 -11.154 -4.889 4.616 428 H VAL 60 H VAL 60 -9.457 -0.517 1.762 429 HA VAL 60 HA VAL 60 -7.703 1.003 3.580 430 HB VAL 60 HB VAL 60 -8.631 1.893 0.845 431 HG11 VAL 60 1HG1 VAL 60 -6.410 3.325 2.031 432 HG12 VAL 60 2HG1 VAL 60 -7.917 3.942 1.353 433 HG13 VAL 60 3HG1 VAL 60 -7.856 3.411 3.035 434 HG21 VAL 60 3HG2 VAL 60 -6.967 0.096 0.715 435 HG22 VAL 60 1HG2 VAL 60 -6.309 1.633 0.155 436 HG23 VAL 60 2HG2 VAL 60 -5.887 1.024 1.756 437 H ASN 61 H ASN 61 -8.696 2.349 4.942 438 HA ASN 61 HA ASN 61 -10.327 3.513 6.018 439 HB3 ASN 61 2HB ASN 61 -11.544 3.824 3.265 440 HD21 ASN 61 1HD2 ASN 61 -11.054 5.259 6.467 441 HD22 ASN 61 2HD2 ASN 61 -12.552 6.119 6.499 442 H GLY 62 H GLY 62 -10.615 0.820 6.197 443 HA2 GLY 62 2HA GLY 62 -12.123 -0.852 6.646 444 HA3 GLY 62 3HA GLY 62 -13.221 0.461 7.046 445 H ASN 63 H ASN 63 -11.814 -0.431 3.913 446 HA ASN 63 HA ASN 63 -14.032 -1.763 2.865 447 HB3 ASN 63 2HB ASN 63 -14.442 0.476 1.294 448 HD21 ASN 63 1HD2 ASN 63 -15.835 -1.636 1.367 449 HD22 ASN 63 2HD2 ASN 63 -17.338 -1.465 2.204 450 H ASN 64 H ASN 64 -13.902 -2.041 0.506 451 HA ASN 64 HA ASN 64 -11.130 -2.085 -0.335 452 HB3 ASN 64 2HB ASN 64 -12.325 -4.095 -0.770 453 HD21 ASN 64 1HD2 ASN 64 -13.827 -2.800 -3.525 454 HD22 ASN 64 2HD2 ASN 64 -15.466 -3.023 -3.028 455 H ILE 65 H ILE 65 -10.218 -0.571 -1.546 456 HA ILE 65 HA ILE 65 -11.487 1.736 -2.428 457 HB ILE 65 HB ILE 65 -9.495 2.176 -3.780 458 HG13 ILE 65 2HG1 ILE 65 -9.159 -0.085 -4.674 459 HG21 ILE 65 1HG2 ILE 65 -9.608 2.208 -1.156 460 HG22 ILE 65 2HG2 ILE 65 -8.417 0.918 -1.305 461 HG23 ILE 65 3HG2 ILE 65 -8.088 2.505 -1.999 462 HD11 ILE 65 3HD1 ILE 65 -7.069 0.498 -5.071 463 HD12 ILE 65 1HD1 ILE 65 -7.045 1.528 -3.640 464 HD13 ILE 65 2HD1 ILE 65 -6.612 -0.177 -3.507 465 H THR 66 H THR 66 -11.187 -1.370 -3.955 466 HA THR 66 HA THR 66 -11.656 -0.671 -6.623 467 HB THR 66 HB THR 66 -12.534 -2.991 -6.890 468 HG1 THR 66 1HG THR 66 -12.381 -4.321 -4.955 469 HG21 THR 66 3HG2 THR 66 -10.417 -3.705 -7.006 470 HG22 THR 66 1HG2 THR 66 -10.196 -3.562 -5.263 471 HG23 THR 66 2HG2 THR 66 -9.956 -2.157 -6.301 472 H SER 67 H SER 67 -13.801 -0.863 -3.899 473 HA SER 67 HA SER 67 -16.267 -1.237 -5.054 474 HB3 SER 67 2HB SER 67 -15.579 0.693 -2.823 475 HG SER 67 HG SER 67 -17.641 1.105 -3.048 476 H MET 68 H MET 68 -14.392 1.758 -4.854 477 HA MET 68 HA MET 68 -16.246 2.951 -6.810 478 HB3 MET 68 2HB MET 68 -16.604 4.488 -5.204 479 HG3 MET 68 2HG MET 68 -13.984 3.773 -3.910 480 HE1 MET 68 3HE MET 68 -16.126 3.994 -1.085 481 HE2 MET 68 1HE MET 68 -14.364 4.048 -1.056 482 HE3 MET 68 2HE MET 68 -15.297 5.390 -0.394 483 H LYS 69 H LYS 69 -13.054 3.910 -5.576 484 HA LYS 69 HA LYS 69 -12.015 3.707 -8.324 485 HB3 LYS 69 2HB LYS 69 -10.515 5.706 -7.494 486 HG3 LYS 69 2HG LYS 69 -13.331 5.884 -8.485 487 HD3 LYS 69 2HD LYS 69 -11.512 8.265 -8.353 488 HE3 LYS 69 2HE LYS 69 -13.536 9.503 -8.697 489 HZ1 LYS 69 3HZ LYS 69 -12.495 8.252 -10.639 490 HZ2 LYS 69 1HZ LYS 69 -14.064 8.849 -10.850 491 HZ3 LYS 69 2HZ LYS 69 -13.821 7.206 -10.531 492 H GLY 70 H GLY 70 -10.140 2.640 -8.549 493 HA2 GLY 70 2HA GLY 70 -9.055 1.120 -6.465 494 HA3 GLY 70 3HA GLY 70 -8.271 1.424 -8.009 495 H LEU 71 H LEU 71 -6.638 2.902 -8.141 496 HA LEU 71 HA LEU 71 -5.396 3.663 -5.670 497 HB3 LEU 71 2HB LEU 71 -4.145 4.982 -7.827 498 HG LEU 71 HG LEU 71 -2.901 3.894 -6.004 499 HD11 LEU 71 1HD1 LEU 71 -3.914 1.392 -7.323 500 HD12 LEU 71 2HD1 LEU 71 -4.063 1.881 -5.636 501 HD13 LEU 71 3HD1 LEU 71 -2.490 1.408 -6.281 502 HD21 LEU 71 3HD2 LEU 71 -2.142 4.207 -8.578 503 HD22 LEU 71 1HD2 LEU 71 -1.850 2.481 -8.360 504 HD23 LEU 71 2HD2 LEU 71 -1.071 3.648 -7.291 505 H ASP 72 H ASP 72 -7.648 5.106 -7.768 506 HA ASP 72 HA ASP 72 -6.957 7.841 -7.250 507 HB3 ASP 72 2HB ASP 72 -9.537 7.969 -8.075 508 H THR 73 H THR 73 -8.301 5.461 -5.366 509 HA THR 73 HA THR 73 -10.387 6.762 -4.019 510 HB THR 73 HB THR 73 -8.742 4.386 -3.567 511 HG1 THR 73 1HG THR 73 -11.103 4.711 -4.182 512 HG21 THR 73 3HG2 THR 73 -9.795 5.946 -1.209 513 HG22 THR 73 1HG2 THR 73 -8.133 5.433 -1.500 514 HG23 THR 73 2HG2 THR 73 -9.377 4.233 -1.147 515 H GLU 74 H GLU 74 -10.425 8.370 -2.585 516 HA GLU 74 HA GLU 74 -7.988 9.685 -1.835 517 HB3 GLU 74 2HB GLU 74 -10.137 10.868 -2.366 518 HG3 GLU 74 2HG GLU 74 -10.943 10.085 0.422 519 H ILE 75 H ILE 75 -7.377 10.186 0.367 520 HA ILE 75 HA ILE 75 -8.416 8.432 2.448 521 HB ILE 75 HB ILE 75 -6.033 7.822 3.098 522 HG13 ILE 75 2HG1 ILE 75 -4.945 9.467 1.583 523 HG21 ILE 75 1HG2 ILE 75 -7.117 6.670 0.530 524 HG22 ILE 75 2HG2 ILE 75 -6.002 5.880 1.644 525 HG23 ILE 75 3HG2 ILE 75 -7.652 6.235 2.153 526 HD11 ILE 75 3HD1 ILE 75 -3.910 7.002 0.409 527 HD12 ILE 75 1HD1 ILE 75 -3.091 8.250 1.349 528 HD13 ILE 75 2HD1 ILE 75 -4.007 6.986 2.170 529 H LYS 76 H LYS 76 -8.216 9.255 4.486 530 HA LYS 76 HA LYS 76 -6.768 11.807 4.753 531 HB3 LYS 76 2HB LYS 76 -8.538 12.549 6.309 532 HG3 LYS 76 2HG LYS 76 -10.491 12.547 4.609 533 HD3 LYS 76 2HD LYS 76 -8.464 14.237 5.024 534 HE3 LYS 76 2HE LYS 76 -7.962 12.959 2.382 535 HZ1 LYS 76 3HZ LYS 76 -8.057 15.818 2.843 536 HZ2 LYS 76 1HZ LYS 76 -8.129 14.952 1.392 537 HZ3 LYS 76 2HZ LYS 76 -6.635 15.255 2.124 538 H ASP 77 H ASP 77 -6.548 12.361 7.203 539 HA ASP 77 HA ASP 77 -4.824 10.517 8.365 540 HB3 ASP 77 2HB ASP 77 -4.915 12.937 8.928 541 H ASP 78 H ASP 78 -8.275 10.729 8.493 542 HA ASP 78 HA ASP 78 -8.571 9.047 10.810 543 HB3 ASP 78 2HB ASP 78 -10.958 9.120 10.313 544 H ASP 79 H ASP 79 -8.289 8.606 7.386 545 HA ASP 79 HA ASP 79 -9.428 6.006 7.238 546 HB3 ASP 79 2HB ASP 79 -8.044 5.909 5.072 547 H LYS 80 H LYS 80 -8.243 4.022 6.770 548 HA LYS 80 HA LYS 80 -5.487 3.901 7.695 549 HB3 LYS 80 2HB LYS 80 -6.523 3.572 9.787 550 HG3 LYS 80 2HG LYS 80 -8.222 1.490 9.820 551 HD3 LYS 80 2HD LYS 80 -10.043 3.374 9.590 552 HE3 LYS 80 2HE LYS 80 -9.297 4.267 11.856 553 HZ1 LYS 80 3HZ LYS 80 -9.170 1.401 12.146 554 HZ2 LYS 80 1HZ LYS 80 -10.469 1.935 11.201 555 HZ3 LYS 80 2HZ LYS 80 -10.283 2.506 12.782 556 H ILE 81 H ILE 81 -4.334 2.279 6.763 557 HA ILE 81 HA ILE 81 -5.783 0.599 4.837 558 HB ILE 81 HB ILE 81 -2.850 1.316 4.944 559 HG13 ILE 81 2HG1 ILE 81 -5.213 2.446 3.546 560 HG21 ILE 81 1HG2 ILE 81 -4.377 -0.656 3.376 561 HG22 ILE 81 2HG2 ILE 81 -3.242 0.338 2.465 562 HG23 ILE 81 3HG2 ILE 81 -2.671 -0.633 3.822 563 HD11 ILE 81 3HD1 ILE 81 -4.335 4.022 4.943 564 HD12 ILE 81 1HD1 ILE 81 -2.677 3.468 4.710 565 HD13 ILE 81 2HD1 ILE 81 -3.481 4.400 3.447 566 H ASP 82 H ASP 82 -5.613 -1.595 4.839 567 HA ASP 82 HA ASP 82 -3.943 -2.822 6.930 568 HB3 ASP 82 2HB ASP 82 -5.781 -3.528 7.987 569 H LEU 83 H LEU 83 -2.906 -4.694 6.393 570 HA LEU 83 HA LEU 83 -3.321 -5.690 3.651 571 HB3 LEU 83 2HB LEU 83 -0.716 -5.673 5.160 572 HG LEU 83 HG LEU 83 0.283 -5.810 2.846 573 HD11 LEU 83 1HD1 LEU 83 0.029 -7.699 4.536 574 HD12 LEU 83 2HD1 LEU 83 0.293 -8.152 2.852 575 HD13 LEU 83 3HD1 LEU 83 -1.325 -8.246 3.547 576 HD21 LEU 83 3HD2 LEU 83 -2.514 -6.690 2.133 577 HD22 LEU 83 1HD2 LEU 83 -1.098 -6.758 1.083 578 HD23 LEU 83 2HD2 LEU 83 -1.738 -5.197 1.601 579 H PHE 84 H PHE 84 -4.013 -7.713 3.572 580 HA PHE 84 HA PHE 84 -3.326 -9.522 5.796 581 HB3 PHE 84 2HB PHE 84 -5.467 -10.715 5.244 582 HD1 PHE 84 2HD PHE 84 -5.439 -10.329 7.657 583 HD2 PHE 84 1HD PHE 84 -6.570 -7.267 4.924 584 HE1 PHE 84 2HE PHE 84 -6.445 -9.055 9.507 585 HE2 PHE 84 1HE PHE 84 -7.576 -5.988 6.769 586 HZ PHE 84 HZ PHE 84 -7.514 -6.881 9.064 587 HA PRO 85 HA PRO 85 -1.289 -12.003 2.767 588 HB3 PRO 85 2HB PRO 85 -0.084 -12.868 4.522 589 HG3 PRO 85 2HG PRO 85 -1.045 -13.131 6.623 590 HD3 PRO 85 2HD PRO 85 -1.624 -10.942 6.192 591 HA PRO 86 HA PRO 86 -4.259 -14.496 0.692 592 HB3 PRO 86 2HB PRO 86 -2.688 -14.827 -0.951 593 HG3 PRO 86 2HG PRO 86 -0.440 -15.110 -0.423 594 HD3 PRO 86 2HD PRO 86 -0.897 -13.207 0.794 595 H VAL 87 H VAL 87 -5.534 -16.332 0.883 596 HA VAL 87 HA VAL 87 -5.694 -17.586 3.355 597 HB VAL 87 HB VAL 87 -7.174 -19.255 2.226 598 HG11 VAL 87 1HG1 VAL 87 -8.185 -17.278 3.076 599 HG12 VAL 87 2HG1 VAL 87 -7.615 -16.322 1.706 600 HG13 VAL 87 3HG1 VAL 87 -8.859 -17.550 1.468 601 HG21 VAL 87 3HG2 VAL 87 -7.697 -18.970 -0.133 602 HG22 VAL 87 1HG2 VAL 87 -6.504 -17.677 -0.257 603 HG23 VAL 87 2HG2 VAL 87 -5.983 -19.329 0.078 604 H ALA 88 H ALA 88 -3.846 -18.435 0.527 605 HA ALA 88 HA ALA 88 -3.240 -21.106 1.417 606 HB1 ALA 88 1HB ALA 88 -1.936 -21.315 -0.537 607 HB2 ALA 88 2HB ALA 88 -3.332 -20.340 -0.995 608 HB3 ALA 88 3HB ALA 88 -1.773 -19.567 -0.709 609 H GLY 89 H GLY 89 -1.731 -17.940 1.579 610 HA2 GLY 89 2HA GLY 89 0.823 -18.865 2.454 611 HA3 GLY 89 3HA GLY 89 0.221 -17.218 2.566 612 H GLY 90 H GLY 90 -1.983 -17.510 4.176 613 HA2 GLY 90 2HA GLY 90 -0.769 -17.687 6.745 614 HA3 GLY 90 3HA GLY 90 -2.480 -17.446 6.422
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