NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
548734 | 2lrq | 18390 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -23.624 -13.005 -3.109 2 H2 MET 1 2H MET 1 -22.722 -14.056 -2.128 3 H3 MET 1 3H MET 1 -22.687 -14.226 -3.817 4 HA MET 1 HA MET 1 -21.300 -12.477 -4.138 5 HB2 MET 1 1HB MET 1 -22.865 -10.894 -3.024 6 HB3 MET 1 2HB MET 1 -22.250 -11.392 -1.454 7 HG2 MET 1 1HG MET 1 -20.004 -10.550 -2.044 8 HG3 MET 1 2HG MET 1 -20.572 -10.116 -3.655 9 HE1 MET 1 3HE MET 1 -22.585 -6.971 -3.269 10 HE2 MET 1 1HE MET 1 -22.792 -8.592 -3.947 11 HE3 MET 1 2HE MET 1 -21.281 -7.722 -4.181 12 H ASN 2 H ASN 2 -19.723 -14.091 -3.998 13 HA ASN 2 HA ASN 2 -17.901 -13.911 -1.754 14 HB2 ASN 2 1HB ASN 2 -19.591 -15.520 -0.879 15 HB3 ASN 2 2HB ASN 2 -19.308 -16.565 -2.264 16 HD21 ASN 2 2HD2 ASN 2 -17.528 -15.029 0.470 17 HD22 ASN 2 1HD2 ASN 2 -16.410 -16.293 0.645 18 H TYR 3 H TYR 3 -15.888 -14.185 -2.523 19 HA TYR 3 HA TYR 3 -15.377 -14.747 -5.283 20 HB2 TYR 3 1HB TYR 3 -13.469 -14.610 -2.911 21 HB3 TYR 3 2HB TYR 3 -12.984 -14.597 -4.609 22 HD1 TYR 3 HD2 TYR 3 -13.481 -12.626 -6.066 23 HD2 TYR 3 HD1 TYR 3 -14.573 -12.623 -1.892 24 HE1 TYR 3 HE2 TYR 3 -13.865 -10.178 -6.159 25 HE2 TYR 3 HE1 TYR 3 -14.955 -10.175 -2.006 26 HH TYR 3 HH TYR 3 -15.167 -8.475 -4.931 27 H SER 4 H SER 4 -14.737 -16.604 -6.264 28 HA SER 4 HA SER 4 -15.246 -19.140 -5.089 29 HB2 SER 4 1HB SER 4 -15.400 -18.724 -7.519 30 HB3 SER 4 2HB SER 4 -13.657 -18.472 -7.592 31 HG SER 4 HG SER 4 -14.748 -20.700 -7.956 32 H THR 5 H THR 5 -12.496 -17.097 -5.029 33 HA THR 5 HA THR 5 -10.388 -18.970 -4.782 34 HB THR 5 HB THR 5 -9.126 -17.107 -3.778 35 HG1 THR 5 HG1 THR 5 -11.663 -16.335 -3.138 36 HG21 THR 5 3HG2 THR 5 -9.510 -17.055 -6.232 37 HG22 THR 5 1HG2 THR 5 -9.449 -15.425 -5.559 38 HG23 THR 5 2HG2 THR 5 -11.002 -16.147 -5.976 39 H GLY 6 H GLY 6 -12.442 -17.414 -2.334 40 HA2 GLY 6 1HA GLY 6 -12.488 -19.603 -0.557 41 HA3 GLY 6 2HA GLY 6 -11.212 -18.507 -0.031 42 H THR 7 H THR 7 -12.719 -18.488 1.878 43 HA THR 7 HA THR 7 -15.249 -17.231 1.829 44 HB THR 7 HB THR 7 -13.243 -17.294 4.121 45 HG1 THR 7 HG1 THR 7 -13.564 -19.352 3.501 46 HG21 THR 7 3HG2 THR 7 -15.297 -17.251 5.532 47 HG22 THR 7 1HG2 THR 7 -16.280 -17.045 4.084 48 HG23 THR 7 2HG2 THR 7 -15.148 -15.782 4.570 49 H ASP 8 H ASP 8 -15.861 -15.123 1.834 50 HA ASP 8 HA ASP 8 -14.054 -13.072 1.046 51 HB2 ASP 8 1HB ASP 8 -16.014 -11.568 1.318 52 HB3 ASP 8 2HB ASP 8 -16.428 -13.029 0.423 53 H ALA 9 H ALA 9 -12.519 -12.291 2.372 54 HA ALA 9 HA ALA 9 -12.604 -12.303 5.217 55 HB1 ALA 9 3HB ALA 9 -10.512 -12.290 3.897 56 HB2 ALA 9 1HB ALA 9 -10.552 -10.936 5.029 57 HB3 ALA 9 2HB ALA 9 -10.883 -10.669 3.315 58 H ASN 10 H ASN 10 -12.937 -10.607 6.674 59 HA ASN 10 HA ASN 10 -14.979 -8.726 6.079 60 HB2 ASN 10 1HB ASN 10 -13.024 -8.782 8.411 61 HB3 ASN 10 2HB ASN 10 -14.529 -7.863 8.357 62 HD21 ASN 10 2HD2 ASN 10 -13.564 -10.320 10.030 63 HD22 ASN 10 1HD2 ASN 10 -14.856 -11.412 9.887 64 H THR 11 H THR 11 -11.456 -8.412 6.361 65 HA THR 11 HA THR 11 -11.328 -5.581 6.089 66 HB THR 11 HB THR 11 -8.933 -5.983 5.532 67 HG1 THR 11 HG1 THR 11 -8.419 -7.812 4.687 68 HG21 THR 11 3HG2 THR 11 -8.326 -7.176 7.619 69 HG22 THR 11 1HG2 THR 11 -9.989 -7.739 7.782 70 HG23 THR 11 2HG2 THR 11 -9.626 -6.016 7.906 71 H LEU 12 H LEU 12 -10.838 -4.325 4.283 72 HA LEU 12 HA LEU 12 -12.032 -5.209 1.771 73 HB2 LEU 12 1HB LEU 12 -10.604 -2.580 2.360 74 HB3 LEU 12 2HB LEU 12 -11.753 -2.899 1.063 75 HG LEU 12 HG LEU 12 -12.387 -2.913 4.049 76 HD11 LEU 12 1HD1 LEU 12 -13.697 -0.874 3.549 77 HD12 LEU 12 2HD1 LEU 12 -13.171 -0.946 1.868 78 HD13 LEU 12 3HD1 LEU 12 -11.994 -0.646 3.149 79 HD21 LEU 12 3HD2 LEU 12 -13.910 -4.484 3.052 80 HD22 LEU 12 1HD2 LEU 12 -14.137 -3.485 1.612 81 HD23 LEU 12 2HD2 LEU 12 -14.825 -2.990 3.164 82 H PHE 13 H PHE 13 -8.998 -5.541 3.111 83 HA PHE 13 HA PHE 13 -7.616 -5.659 0.454 84 HB2 PHE 13 1HB PHE 13 -6.481 -5.165 3.232 85 HB3 PHE 13 2HB PHE 13 -5.532 -5.279 1.750 86 HD1 PHE 13 HD1 PHE 13 -5.752 -3.539 -0.049 87 HD2 PHE 13 HD2 PHE 13 -7.836 -3.139 3.708 88 HE1 PHE 13 HE1 PHE 13 -6.215 -1.156 -0.548 89 HE2 PHE 13 HE2 PHE 13 -8.284 -0.754 3.199 90 HZ PHE 13 HZ PHE 13 -7.478 0.236 1.072 91 H VAL 14 H VAL 14 -6.378 -7.433 -0.019 92 HA VAL 14 HA VAL 14 -6.439 -9.795 1.824 93 HB VAL 14 HB VAL 14 -6.867 -11.244 -0.133 94 HG11 VAL 14 1HG1 VAL 14 -9.259 -10.647 -0.448 95 HG12 VAL 14 2HG1 VAL 14 -8.945 -9.037 0.199 96 HG13 VAL 14 3HG1 VAL 14 -8.781 -10.451 1.238 97 HG21 VAL 14 3HG2 VAL 14 -7.104 -8.599 -1.650 98 HG22 VAL 14 1HG2 VAL 14 -7.690 -10.140 -2.283 99 HG23 VAL 14 2HG2 VAL 14 -5.976 -9.919 -1.972 100 H ASP 15 H ASP 15 -4.806 -11.362 1.411 101 HA ASP 15 HA ASP 15 -2.223 -10.267 1.072 102 HB2 ASP 15 1HB ASP 15 -1.474 -12.619 1.273 103 HB3 ASP 15 2HB ASP 15 -2.716 -12.250 2.467 104 H GLY 16 H GLY 16 -0.799 -10.312 -0.609 105 HA2 GLY 16 1HA GLY 16 0.112 -10.847 -2.694 106 HA3 GLY 16 2HA GLY 16 -1.332 -11.752 -3.113 107 H GLU 17 H GLU 17 -2.592 -9.051 -1.936 108 HA GLU 17 HA GLU 17 -3.217 -7.920 -4.513 109 HB2 GLU 17 1HB GLU 17 -4.785 -7.912 -2.579 110 HB3 GLU 17 2HB GLU 17 -3.747 -6.776 -1.737 111 HG2 GLU 17 1HG GLU 17 -4.089 -5.113 -3.554 112 HG3 GLU 17 2HG GLU 17 -5.081 -6.269 -4.433 113 H ARG 18 H ARG 18 -2.582 -5.974 -5.385 114 HA ARG 18 HA ARG 18 -0.031 -4.801 -4.413 115 HB2 ARG 18 1HB ARG 18 -0.184 -5.585 -6.773 116 HB3 ARG 18 2HB ARG 18 -1.481 -4.428 -7.069 117 HG2 ARG 18 1HG ARG 18 0.031 -2.540 -6.568 118 HG3 ARG 18 2HG ARG 18 1.324 -3.657 -6.138 119 HD2 ARG 18 1HD ARG 18 0.054 -3.480 -8.893 120 HD3 ARG 18 2HD ARG 18 1.595 -2.746 -8.444 121 HE ARG 18 HE ARG 18 1.719 -5.469 -7.767 122 HH11 ARG 18 1HH2 ARG 18 1.477 -3.460 -10.597 123 HH12 ARG 18 2HH2 ARG 18 2.290 -4.593 -11.624 124 HH21 ARG 18 1HH1 ARG 18 2.781 -6.934 -9.118 125 HH22 ARG 18 2HH1 ARG 18 3.027 -6.552 -10.791 126 H VAL 19 H VAL 19 -0.033 -2.855 -3.449 127 HA VAL 19 HA VAL 19 -2.282 -0.932 -3.854 128 HB VAL 19 HB VAL 19 -2.397 -0.480 -1.455 129 HG11 VAL 19 1HG1 VAL 19 -3.416 -2.598 -0.696 130 HG12 VAL 19 2HG1 VAL 19 -2.619 -3.470 -2.000 131 HG13 VAL 19 3HG1 VAL 19 -3.858 -2.271 -2.372 132 HG21 VAL 19 3HG2 VAL 19 -0.174 -2.574 -1.253 133 HG22 VAL 19 1HG2 VAL 19 -1.159 -2.111 0.135 134 HG23 VAL 19 2HG2 VAL 19 -0.146 -0.916 -0.664 135 H LEU 20 H LEU 20 -1.719 1.197 -2.812 136 HA LEU 20 HA LEU 20 1.088 1.938 -3.514 137 HB2 LEU 20 1HB LEU 20 -1.413 3.671 -3.345 138 HB3 LEU 20 2HB LEU 20 0.174 4.158 -3.949 139 HG LEU 20 HG LEU 20 -1.607 2.018 -5.199 140 HD11 LEU 20 1HD1 LEU 20 -1.919 3.640 -7.029 141 HD12 LEU 20 2HD1 LEU 20 -0.947 4.823 -6.150 142 HD13 LEU 20 3HD1 LEU 20 -2.494 4.288 -5.495 143 HD21 LEU 20 3HD2 LEU 20 0.109 2.339 -7.165 144 HD22 LEU 20 1HD2 LEU 20 0.610 1.367 -5.787 145 HD23 LEU 20 2HD2 LEU 20 1.171 3.034 -5.938 146 H CYS 21 H CYS 21 2.338 3.023 -2.109 147 HA CYS 21 HA CYS 21 1.313 3.545 0.663 148 HB2 CYS 21 1HB CYS 21 2.849 1.594 0.496 149 HB3 CYS 21 2HB CYS 21 4.093 2.642 -0.189 150 HG CYS 21 HG CYS 21 4.281 3.879 2.065 151 H PHE 22 H PHE 22 1.163 5.694 0.908 152 HA PHE 22 HA PHE 22 3.157 7.518 -0.352 153 HB2 PHE 22 1HB PHE 22 1.510 9.284 0.062 154 HB3 PHE 22 2HB PHE 22 0.784 7.973 -0.860 155 HD1 PHE 22 HD2 PHE 22 -0.900 6.447 0.189 156 HD2 PHE 22 HD1 PHE 22 0.841 9.699 2.425 157 HE1 PHE 22 HE2 PHE 22 -2.669 6.218 1.913 158 HE2 PHE 22 HE1 PHE 22 -0.934 9.461 4.140 159 HZ PHE 22 HZ PHE 22 -2.687 7.729 3.882 160 H HIS 23 H HIS 23 4.101 9.173 0.910 161 HA HIS 23 HA HIS 23 3.817 9.294 3.776 162 HB2 HIS 23 1HB HIS 23 5.135 7.162 3.494 163 HB3 HIS 23 2HB HIS 23 6.412 8.083 2.705 164 HD1 HIS 23 HD1 HIS 23 4.549 7.982 6.036 165 HD2 HIS 23 HD2 HIS 23 8.218 9.227 4.496 166 HE1 HIS 23 HE1 HIS 23 5.957 8.684 8.020 167 HE2 HIS 23 HE2 HIS 23 8.198 9.446 7.098 168 H GLY 24 H GLY 24 3.908 10.967 1.318 169 HA2 GLY 24 1HA GLY 24 5.146 13.268 2.369 170 HA3 GLY 24 2HA GLY 24 6.263 12.515 1.239 171 HA PRO 25 HA PRO 25 3.360 15.166 -1.254 172 HB2 PRO 25 1HB PRO 25 5.119 16.528 -2.793 173 HB3 PRO 25 2HB PRO 25 4.924 16.928 -1.066 174 HG2 PRO 25 1HG PRO 25 7.040 15.199 -2.359 175 HG3 PRO 25 2HG PRO 25 7.253 16.531 -1.196 176 HD2 PRO 25 1HD PRO 25 7.197 13.880 -0.414 177 HD3 PRO 25 2HD PRO 25 6.621 15.181 0.656 178 H LEU 26 H LEU 26 5.086 12.447 -1.848 179 HA LEU 26 HA LEU 26 3.939 12.113 -4.583 180 HB2 LEU 26 1HB LEU 26 6.775 11.565 -3.674 181 HB3 LEU 26 2HB LEU 26 6.105 10.666 -5.032 182 HG LEU 26 HG LEU 26 6.018 13.732 -5.045 183 HD11 LEU 26 1HD1 LEU 26 8.315 11.995 -6.021 184 HD12 LEU 26 2HD1 LEU 26 8.377 13.126 -4.670 185 HD13 LEU 26 3HD1 LEU 26 8.153 13.730 -6.307 186 HD21 LEU 26 3HD2 LEU 26 4.688 12.462 -6.781 187 HD22 LEU 26 1HD2 LEU 26 6.165 11.662 -7.303 188 HD23 LEU 26 2HD2 LEU 26 5.977 13.405 -7.506 189 H ILE 27 H ILE 27 3.412 10.056 -5.179 190 HA ILE 27 HA ILE 27 2.843 8.164 -2.949 191 HB ILE 27 HB ILE 27 1.643 8.353 -5.746 192 HG12 ILE 27 1HG1 ILE 27 0.401 9.108 -3.056 193 HG13 ILE 27 2HG1 ILE 27 1.089 10.289 -4.165 194 HG21 ILE 27 1HG2 ILE 27 1.538 6.039 -4.869 195 HG22 ILE 27 2HG2 ILE 27 -0.064 6.749 -4.815 196 HG23 ILE 27 3HG2 ILE 27 0.895 6.634 -3.340 197 HD11 ILE 27 3HD1 ILE 27 -1.323 10.189 -4.483 198 HD12 ILE 27 1HD1 ILE 27 -1.252 8.448 -4.754 199 HD13 ILE 27 2HD1 ILE 27 -0.522 9.554 -5.919 200 H TYR 28 H TYR 28 3.822 6.253 -2.883 201 HA TYR 28 HA TYR 28 5.548 5.320 -5.152 202 HB2 TYR 28 1HB TYR 28 5.817 4.864 -2.151 203 HB3 TYR 28 2HB TYR 28 6.918 4.253 -3.391 204 HD1 TYR 28 HD1 TYR 28 8.367 5.823 -4.700 205 HD2 TYR 28 HD2 TYR 28 5.798 7.276 -1.552 206 HE1 TYR 28 HE1 TYR 28 9.567 7.990 -4.708 207 HE2 TYR 28 HE2 TYR 28 7.012 9.435 -1.570 208 HH TYR 28 HH TYR 28 8.777 10.543 -2.365 209 H GLU 29 H GLU 29 5.652 3.095 -5.539 210 HA GLU 29 HA GLU 29 3.128 1.679 -5.132 211 HB2 GLU 29 1HB GLU 29 4.322 1.714 -7.325 212 HB3 GLU 29 2HB GLU 29 5.644 0.793 -6.613 213 HG2 GLU 29 1HG GLU 29 4.090 -1.081 -6.116 214 HG3 GLU 29 2HG GLU 29 2.744 -0.148 -6.764 215 H ALA 30 H ALA 30 2.850 -0.218 -4.029 216 HA ALA 30 HA ALA 30 5.071 -1.549 -2.634 217 HB1 ALA 30 3HB ALA 30 2.734 -0.313 -1.123 218 HB2 ALA 30 1HB ALA 30 4.379 0.321 -1.139 219 HB3 ALA 30 2HB ALA 30 4.054 -1.255 -0.434 220 H LYS 31 H LYS 31 4.077 -3.444 -1.299 221 HA LYS 31 HA LYS 31 1.642 -4.575 -2.582 222 HB2 LYS 31 1HB LYS 31 3.727 -5.344 -3.807 223 HB3 LYS 31 2HB LYS 31 4.260 -6.114 -2.320 224 HG2 LYS 31 1HG LYS 31 2.218 -7.544 -2.314 225 HG3 LYS 31 2HG LYS 31 1.631 -6.721 -3.755 226 HD2 LYS 31 1HD LYS 31 2.585 -8.746 -4.601 227 HD3 LYS 31 2HD LYS 31 3.814 -7.533 -4.931 228 HE2 LYS 31 1HE LYS 31 5.099 -8.279 -2.953 229 HE3 LYS 31 2HE LYS 31 3.813 -9.408 -2.525 230 HZ1 LYS 31 3HZ LYS 31 5.570 -10.528 -3.707 231 HZ2 LYS 31 1HZ LYS 31 5.435 -9.452 -5.010 232 HZ3 LYS 31 2HZ LYS 31 4.160 -10.516 -4.656 233 H VAL 32 H VAL 32 0.459 -5.883 -1.302 234 HA VAL 32 HA VAL 32 1.086 -5.957 1.570 235 HB VAL 32 HB VAL 32 -1.395 -7.030 0.125 236 HG11 VAL 32 1HG1 VAL 32 -2.444 -6.770 2.366 237 HG12 VAL 32 2HG1 VAL 32 -0.903 -6.232 3.028 238 HG13 VAL 32 3HG1 VAL 32 -1.080 -7.884 2.441 239 HG21 VAL 32 3HG2 VAL 32 -2.463 -4.879 0.738 240 HG22 VAL 32 1HG2 VAL 32 -1.103 -4.620 -0.350 241 HG23 VAL 32 2HG2 VAL 32 -0.927 -4.295 1.374 242 H LEU 33 H LEU 33 2.421 -7.604 2.182 243 HA LEU 33 HA LEU 33 2.564 -10.110 0.736 244 HB2 LEU 33 1HB LEU 33 4.470 -8.920 2.104 245 HB3 LEU 33 2HB LEU 33 3.735 -9.686 3.501 246 HG LEU 33 HG LEU 33 3.942 -11.937 2.083 247 HD11 LEU 33 1HD1 LEU 33 4.632 -10.915 -0.077 248 HD12 LEU 33 2HD1 LEU 33 5.906 -11.955 0.535 249 HD13 LEU 33 3HD1 LEU 33 6.045 -10.206 0.703 250 HD21 LEU 33 3HD2 LEU 33 5.237 -11.512 4.147 251 HD22 LEU 33 1HD2 LEU 33 6.414 -10.574 3.227 252 HD23 LEU 33 2HD2 LEU 33 6.247 -12.310 2.947 253 H LYS 34 H LYS 34 1.044 -9.009 3.702 254 HA LYS 34 HA LYS 34 -0.856 -11.165 3.643 255 HB2 LYS 34 1HB LYS 34 -0.249 -12.254 5.799 256 HB3 LYS 34 2HB LYS 34 1.002 -12.488 4.580 257 HG2 LYS 34 1HG LYS 34 2.310 -10.635 5.546 258 HG3 LYS 34 2HG LYS 34 1.063 -10.389 6.775 259 HD2 LYS 34 1HD LYS 34 1.470 -12.672 7.640 260 HD3 LYS 34 2HD LYS 34 2.726 -12.902 6.429 261 HE2 LYS 34 1HE LYS 34 4.008 -11.005 7.374 262 HE3 LYS 34 2HE LYS 34 2.754 -10.769 8.596 263 HZ1 LYS 34 3HZ LYS 34 4.697 -12.099 9.337 264 HZ2 LYS 34 1HZ LYS 34 4.245 -13.304 8.233 265 HZ3 LYS 34 2HZ LYS 34 3.204 -12.892 9.511 266 H THR 35 H THR 35 -2.353 -11.075 5.480 267 HA THR 35 HA THR 35 -2.450 -8.460 6.901 268 HB THR 35 HB THR 35 -3.714 -8.048 4.869 269 HG1 THR 35 HG1 THR 35 -5.836 -7.866 5.817 270 HG21 THR 35 3HG2 THR 35 -5.626 -9.494 4.211 271 HG22 THR 35 1HG2 THR 35 -5.190 -10.643 5.471 272 HG23 THR 35 2HG2 THR 35 -4.095 -10.361 4.119 273 H LYS 36 H LYS 36 -3.773 -8.430 8.714 274 HA LYS 36 HA LYS 36 -4.485 -11.148 9.800 275 HB2 LYS 36 1HB LYS 36 -2.679 -9.954 10.996 276 HB3 LYS 36 2HB LYS 36 -3.792 -8.653 11.351 277 HG2 LYS 36 1HG LYS 36 -5.252 -10.200 12.622 278 HG3 LYS 36 2HG LYS 36 -4.193 -11.543 12.205 279 HD2 LYS 36 1HD LYS 36 -2.328 -10.447 13.432 280 HD3 LYS 36 2HD LYS 36 -3.405 -9.123 13.873 281 HE2 LYS 36 1HE LYS 36 -4.873 -10.719 15.083 282 HE3 LYS 36 2HE LYS 36 -3.794 -12.044 14.642 283 HZ1 LYS 36 3HZ LYS 36 -3.178 -9.711 16.361 284 HZ2 LYS 36 1HZ LYS 36 -1.994 -10.774 15.776 285 HZ3 LYS 36 2HZ LYS 36 -3.214 -11.350 16.809 286 HA PRO 37 HA PRO 37 -8.534 -8.830 9.524 287 HB2 PRO 37 1HB PRO 37 -10.088 -10.658 8.322 288 HB3 PRO 37 2HB PRO 37 -8.788 -9.873 7.387 289 HG2 PRO 37 1HG PRO 37 -8.708 -12.553 8.790 290 HG3 PRO 37 2HG PRO 37 -8.317 -12.186 7.094 291 HD2 PRO 37 1HD PRO 37 -6.370 -12.320 9.036 292 HD3 PRO 37 2HD PRO 37 -6.224 -11.211 7.652 293 H ASP 38 H ASP 38 -7.320 -11.124 11.482 294 HA ASP 38 HA ASP 38 -9.641 -12.304 12.681 295 HB2 ASP 38 1HB ASP 38 -7.345 -13.266 12.801 296 HB3 ASP 38 2HB ASP 38 -6.847 -11.927 13.830 297 H ALA 39 H ALA 39 -9.001 -9.162 12.534 298 HA ALA 39 HA ALA 39 -10.546 -8.510 14.907 299 HB1 ALA 39 3HB ALA 39 -8.816 -7.091 15.965 300 HB2 ALA 39 1HB ALA 39 -7.648 -7.596 14.742 301 HB3 ALA 39 2HB ALA 39 -8.285 -8.768 15.886 302 H THR 40 H THR 40 -11.149 -6.292 15.001 303 HA THR 40 HA THR 40 -10.609 -4.614 12.620 304 HB THR 40 HB THR 40 -13.005 -4.188 12.295 305 HG1 THR 40 HG1 THR 40 -13.083 -5.662 14.633 306 HG21 THR 40 3HG2 THR 40 -11.886 -6.157 11.120 307 HG22 THR 40 1HG2 THR 40 -13.627 -6.339 11.345 308 HG23 THR 40 2HG2 THR 40 -12.515 -7.189 12.406 309 HA PRO 41 HA PRO 41 -9.859 -2.517 12.308 310 HB2 PRO 41 1HB PRO 41 -8.036 -0.739 13.271 311 HB3 PRO 41 2HB PRO 41 -9.729 -0.254 13.001 312 HG2 PRO 41 1HG PRO 41 -8.470 -1.221 15.583 313 HG3 PRO 41 2HG PRO 41 -9.366 0.292 15.295 314 HD2 PRO 41 1HD PRO 41 -10.677 -1.823 16.320 315 HD3 PRO 41 2HD PRO 41 -11.461 -0.853 15.046 316 H VAL 42 H VAL 42 -7.324 -2.559 12.006 317 HA VAL 42 HA VAL 42 -5.779 -4.123 13.875 318 HB VAL 42 HB VAL 42 -7.360 -5.862 13.008 319 HG11 VAL 42 1HG1 VAL 42 -6.035 -5.460 10.298 320 HG12 VAL 42 2HG1 VAL 42 -7.624 -4.811 10.714 321 HG13 VAL 42 3HG1 VAL 42 -7.366 -6.547 10.684 322 HG21 VAL 42 3HG2 VAL 42 -4.812 -6.316 13.628 323 HG22 VAL 42 1HG2 VAL 42 -4.626 -6.556 11.895 324 HG23 VAL 42 2HG2 VAL 42 -5.720 -7.577 12.822 325 H GLU 43 H GLU 43 -3.744 -5.060 12.629 326 HA GLU 43 HA GLU 43 -2.607 -2.857 11.025 327 HB2 GLU 43 1HB GLU 43 -0.420 -3.920 11.617 328 HB3 GLU 43 2HB GLU 43 -1.339 -3.425 13.027 329 HG2 GLU 43 1HG GLU 43 -0.514 -5.620 13.577 330 HG3 GLU 43 2HG GLU 43 -2.196 -5.872 13.176 331 H TYR 44 H TYR 44 -1.147 -3.457 9.291 332 HA TYR 44 HA TYR 44 -1.802 -5.978 7.847 333 HB2 TYR 44 1HB TYR 44 -1.785 -3.154 6.696 334 HB3 TYR 44 2HB TYR 44 -2.019 -4.638 5.773 335 HD1 TYR 44 HD2 TYR 44 -3.514 -2.458 8.429 336 HD2 TYR 44 HD1 TYR 44 -4.175 -5.842 5.842 337 HE1 TYR 44 HE2 TYR 44 -5.925 -2.458 9.012 338 HE2 TYR 44 HE1 TYR 44 -6.575 -5.832 6.454 339 HH TYR 44 HH TYR 44 -8.241 -4.316 7.311 340 H TYR 45 H TYR 45 -0.205 -6.800 6.618 341 HA TYR 45 HA TYR 45 2.538 -5.752 7.153 342 HB2 TYR 45 1HB TYR 45 1.863 -8.206 7.497 343 HB3 TYR 45 2HB TYR 45 1.859 -8.342 5.744 344 HD1 TYR 45 HD2 TYR 45 4.056 -7.550 4.464 345 HD2 TYR 45 HD1 TYR 45 3.978 -8.456 8.678 346 HE1 TYR 45 HE2 TYR 45 6.502 -7.840 4.451 347 HE2 TYR 45 HE1 TYR 45 6.441 -8.732 8.643 348 HH TYR 45 HH TYR 45 8.301 -8.304 5.635 349 H ILE 46 H ILE 46 3.433 -4.477 5.696 350 HA ILE 46 HA ILE 46 3.125 -5.050 2.804 351 HB ILE 46 HB ILE 46 2.874 -2.207 3.912 352 HG12 ILE 46 1HG1 ILE 46 0.653 -4.240 3.329 353 HG13 ILE 46 2HG1 ILE 46 0.960 -3.403 4.850 354 HG21 ILE 46 1HG2 ILE 46 2.128 -1.644 1.666 355 HG22 ILE 46 2HG2 ILE 46 1.968 -3.341 1.221 356 HG23 ILE 46 3HG2 ILE 46 3.562 -2.644 1.465 357 HD11 ILE 46 3HD1 ILE 46 0.417 -1.260 3.693 358 HD12 ILE 46 1HD1 ILE 46 -0.925 -2.397 3.783 359 HD13 ILE 46 2HD1 ILE 46 -0.042 -2.198 2.281 360 H HIS 47 H HIS 47 4.837 -4.380 1.554 361 HA HIS 47 HA HIS 47 7.211 -3.141 2.812 362 HB2 HIS 47 1HB HIS 47 8.658 -4.936 1.878 363 HB3 HIS 47 2HB HIS 47 7.543 -5.563 3.090 364 HD1 HIS 47 HD1 HIS 47 8.785 -6.408 -0.112 365 HD2 HIS 47 HD2 HIS 47 4.978 -6.511 1.589 366 HE1 HIS 47 HE1 HIS 47 7.417 -8.013 -1.512 367 HE2 HIS 47 HE2 HIS 47 5.095 -8.088 -0.489 368 H TYR 48 H TYR 48 8.498 -2.045 1.369 369 HA TYR 48 HA TYR 48 7.249 -1.124 -1.060 370 HB2 TYR 48 1HB TYR 48 10.074 -0.696 0.003 371 HB3 TYR 48 2HB TYR 48 9.350 0.186 -1.343 372 HD1 TYR 48 HD1 TYR 48 7.506 1.821 -0.968 373 HD2 TYR 48 HD2 TYR 48 9.280 -0.300 2.343 374 HE1 TYR 48 HE1 TYR 48 6.409 3.372 0.626 375 HE2 TYR 48 HE2 TYR 48 8.180 1.264 3.921 376 HH TYR 48 HH TYR 48 5.806 2.866 3.567 377 H ALA 49 H ALA 49 7.489 -1.825 -3.084 378 HA ALA 49 HA ALA 49 8.738 -4.328 -3.680 379 HB1 ALA 49 3HB ALA 49 8.034 -3.855 -6.001 380 HB2 ALA 49 1HB ALA 49 7.678 -2.182 -5.559 381 HB3 ALA 49 2HB ALA 49 6.733 -3.495 -4.865 382 H GLY 50 H GLY 50 10.635 -4.789 -4.744 383 HA2 GLY 50 1HA GLY 50 12.662 -4.473 -5.832 384 HA3 GLY 50 2HA GLY 50 12.338 -2.747 -5.944 385 H TRP 51 H TRP 51 11.939 -4.111 -2.825 386 HA TRP 51 HA TRP 51 14.707 -3.426 -1.945 387 HB2 TRP 51 1HB TRP 51 12.137 -2.350 -0.706 388 HB3 TRP 51 2HB TRP 51 13.760 -2.120 -0.055 389 HD1 TRP 51 HD1 TRP 51 11.370 -0.631 -2.513 390 HE1 TRP 51 HE1 TRP 51 12.508 1.274 -3.818 391 HE3 TRP 51 HE3 TRP 51 16.224 -1.404 -1.136 392 HZ2 TRP 51 HZ2 TRP 51 15.129 2.332 -4.229 393 HZ3 TRP 51 HZ3 TRP 51 18.025 0.069 -2.000 394 HH2 TRP 51 HH2 TRP 51 17.484 1.936 -3.545 395 H SER 52 H SER 52 15.094 -4.095 0.290 396 HA SER 52 HA SER 52 14.582 -6.849 0.638 397 HB2 SER 52 1HB SER 52 15.679 -6.583 2.816 398 HB3 SER 52 2HB SER 52 16.527 -5.622 1.601 399 HG SER 52 HG SER 52 15.577 -4.768 3.848 400 H LYS 53 H LYS 53 12.969 -7.932 1.641 401 HA LYS 53 HA LYS 53 10.630 -6.508 2.648 402 HB2 LYS 53 1HB LYS 53 9.609 -8.756 2.762 403 HB3 LYS 53 2HB LYS 53 10.321 -8.447 1.180 404 HG2 LYS 53 1HG LYS 53 12.342 -9.744 1.843 405 HG3 LYS 53 2HG LYS 53 11.608 -10.086 3.409 406 HD2 LYS 53 1HD LYS 53 9.727 -11.250 2.284 407 HD3 LYS 53 2HD LYS 53 10.450 -10.907 0.713 408 HE2 LYS 53 1HE LYS 53 12.442 -12.242 1.332 409 HE3 LYS 53 2HE LYS 53 11.729 -12.577 2.911 410 HZ1 LYS 53 3HZ LYS 53 9.779 -13.241 1.117 411 HZ2 LYS 53 1HZ LYS 53 10.780 -14.321 1.955 412 HZ3 LYS 53 2HZ LYS 53 11.207 -13.808 0.393 413 H ASN 54 H ASN 54 13.493 -7.583 4.038 414 HA ASN 54 HA ASN 54 12.567 -8.582 6.555 415 HB2 ASN 54 1HB ASN 54 15.228 -7.289 5.839 416 HB3 ASN 54 2HB ASN 54 14.904 -8.270 7.270 417 HD21 ASN 54 2HD2 ASN 54 13.239 -10.263 5.882 418 HD22 ASN 54 1HD2 ASN 54 14.282 -11.157 4.885 419 H TRP 55 H TRP 55 12.471 -5.508 5.199 420 HA TRP 55 HA TRP 55 12.983 -3.861 7.477 421 HB2 TRP 55 1HB TRP 55 12.954 -3.101 5.063 422 HB3 TRP 55 2HB TRP 55 11.201 -3.235 5.077 423 HD1 TRP 55 HD1 TRP 55 9.955 -1.681 7.049 424 HE1 TRP 55 HE1 TRP 55 10.558 0.703 7.811 425 HE3 TRP 55 HE3 TRP 55 14.767 -1.420 5.372 426 HZ2 TRP 55 HZ2 TRP 55 12.787 2.488 7.722 427 HZ3 TRP 55 HZ3 TRP 55 16.112 0.636 5.723 428 HH2 TRP 55 HH2 TRP 55 15.128 2.589 6.897 429 H ASP 56 H ASP 56 10.244 -5.647 6.327 430 HA ASP 56 HA ASP 56 8.065 -5.904 7.053 431 HB2 ASP 56 1HB ASP 56 9.499 -5.724 9.721 432 HB3 ASP 56 2HB ASP 56 7.918 -6.458 9.457 433 H GLU 57 H GLU 57 7.507 -3.666 6.235 434 HA GLU 57 HA GLU 57 7.156 -1.589 8.288 435 HB2 GLU 57 1HB GLU 57 7.882 -1.165 5.843 436 HB3 GLU 57 2HB GLU 57 6.223 -1.481 5.389 437 HG2 GLU 57 1HG GLU 57 6.412 0.921 5.637 438 HG3 GLU 57 2HG GLU 57 5.523 0.348 7.033 439 H TRP 58 H TRP 58 5.590 -2.374 9.681 440 HA TRP 58 HA TRP 58 2.998 -3.361 8.758 441 HB2 TRP 58 1HB TRP 58 4.254 -2.841 11.484 442 HB3 TRP 58 2HB TRP 58 2.566 -3.305 11.331 443 HD1 TRP 58 HD1 TRP 58 5.610 -4.768 9.386 444 HE1 TRP 58 HE1 TRP 58 5.655 -7.300 9.772 445 HE3 TRP 58 HE3 TRP 58 1.775 -5.226 12.730 446 HZ2 TRP 58 HZ2 TRP 58 4.262 -9.280 11.269 447 HZ3 TRP 58 HZ3 TRP 58 1.162 -7.459 13.631 448 HH2 TRP 58 HH2 TRP 58 2.406 -9.483 12.909 449 H VAL 59 H VAL 59 1.243 -2.073 8.406 450 HA VAL 59 HA VAL 59 1.082 0.605 9.671 451 HB VAL 59 HB VAL 59 0.377 1.550 7.380 452 HG11 VAL 59 1HG1 VAL 59 3.238 0.628 7.705 453 HG12 VAL 59 2HG1 VAL 59 2.562 2.106 8.368 454 HG13 VAL 59 3HG1 VAL 59 2.710 1.909 6.621 455 HG21 VAL 59 3HG2 VAL 59 1.745 -0.984 6.398 456 HG22 VAL 59 1HG2 VAL 59 1.169 0.344 5.392 457 HG23 VAL 59 2HG2 VAL 59 0.017 -0.651 6.278 458 HA PRO 60 HA PRO 60 -3.258 -0.489 9.956 459 HB2 PRO 60 1HB PRO 60 -4.399 1.892 10.573 460 HB3 PRO 60 2HB PRO 60 -3.197 1.170 11.674 461 HG2 PRO 60 1HG PRO 60 -2.717 3.231 9.501 462 HG3 PRO 60 2HG PRO 60 -2.307 3.347 11.230 463 HD2 PRO 60 1HD PRO 60 -0.441 2.527 9.444 464 HD3 PRO 60 2HD PRO 60 -0.537 1.765 11.049 465 H GLU 61 H GLU 61 -5.260 -0.306 8.835 466 HA GLU 61 HA GLU 61 -5.203 -0.099 6.062 467 HB2 GLU 61 1HB GLU 61 -7.727 0.061 6.194 468 HB3 GLU 61 2HB GLU 61 -7.050 -1.232 7.174 469 HG2 GLU 61 1HG GLU 61 -7.182 0.219 9.192 470 HG3 GLU 61 2HG GLU 61 -7.870 1.511 8.214 471 H ASN 62 H ASN 62 -5.371 2.467 8.346 472 HA ASN 62 HA ASN 62 -6.631 4.482 6.791 473 HB2 ASN 62 1HB ASN 62 -6.287 4.647 9.238 474 HB3 ASN 62 2HB ASN 62 -4.551 4.780 8.988 475 HD21 ASN 62 2HD2 ASN 62 -7.638 6.448 8.216 476 HD22 ASN 62 1HD2 ASN 62 -6.947 7.994 8.096 477 H ARG 63 H ARG 63 -3.198 3.533 7.044 478 HA ARG 63 HA ARG 63 -2.357 5.645 5.175 479 HB2 ARG 63 1HB ARG 63 -1.033 4.699 7.257 480 HB3 ARG 63 2HB ARG 63 -0.568 3.410 6.166 481 HG2 ARG 63 1HG ARG 63 1.229 4.894 5.758 482 HG3 ARG 63 2HG ARG 63 0.110 5.483 4.534 483 HD2 ARG 63 1HD ARG 63 0.967 7.412 5.748 484 HD3 ARG 63 2HD ARG 63 -0.709 7.184 6.249 485 HE ARG 63 HE ARG 63 0.049 6.673 8.380 486 HH11 ARG 63 1HH2 ARG 63 2.684 6.458 6.122 487 HH12 ARG 63 2HH2 ARG 63 3.870 6.119 7.338 488 HH21 ARG 63 1HH1 ARG 63 1.605 6.218 9.961 489 HH22 ARG 63 2HH1 ARG 63 3.261 5.981 9.504 490 H VAL 64 H VAL 64 -3.888 2.790 4.700 491 HA VAL 64 HA VAL 64 -2.328 1.936 2.313 492 HB VAL 64 HB VAL 64 -4.700 0.591 3.662 493 HG11 VAL 64 1HG1 VAL 64 -2.748 -0.410 1.542 494 HG12 VAL 64 2HG1 VAL 64 -4.451 -0.051 1.271 495 HG13 VAL 64 3HG1 VAL 64 -3.994 -1.390 2.315 496 HG21 VAL 64 3HG2 VAL 64 -2.998 -0.976 4.571 497 HG22 VAL 64 1HG2 VAL 64 -2.695 0.666 5.129 498 HG23 VAL 64 2HG2 VAL 64 -1.717 -0.010 3.835 499 H LEU 65 H LEU 65 -2.999 2.347 0.313 500 HA LEU 65 HA LEU 65 -5.732 3.465 -0.141 501 HB2 LEU 65 1HB LEU 65 -3.920 5.153 -0.375 502 HB3 LEU 65 2HB LEU 65 -3.162 4.146 -1.610 503 HG LEU 65 HG LEU 65 -5.199 4.408 -3.049 504 HD11 LEU 65 1HD1 LEU 65 -6.234 6.025 -0.688 505 HD12 LEU 65 2HD1 LEU 65 -7.059 4.767 -1.615 506 HD13 LEU 65 3HD1 LEU 65 -6.817 6.352 -2.324 507 HD21 LEU 65 3HD2 LEU 65 -4.033 7.045 -2.077 508 HD22 LEU 65 1HD2 LEU 65 -4.841 6.792 -3.625 509 HD23 LEU 65 2HD2 LEU 65 -3.307 5.988 -3.290 510 H LYS 66 H LYS 66 -6.949 2.518 -1.651 511 HA LYS 66 HA LYS 66 -6.244 -0.005 -2.759 512 HB2 LYS 66 1HB LYS 66 -8.424 0.203 -3.968 513 HB3 LYS 66 2HB LYS 66 -8.572 0.561 -2.252 514 HG2 LYS 66 1HG LYS 66 -8.451 3.002 -2.760 515 HG3 LYS 66 2HG LYS 66 -8.361 2.632 -4.480 516 HD2 LYS 66 1HD LYS 66 -10.579 1.524 -4.360 517 HD3 LYS 66 2HD LYS 66 -10.670 1.888 -2.637 518 HE2 LYS 66 1HE LYS 66 -10.598 4.312 -3.139 519 HE3 LYS 66 2HE LYS 66 -10.482 3.958 -4.864 520 HZ1 LYS 66 3HZ LYS 66 -12.635 2.521 -4.100 521 HZ2 LYS 66 1HZ LYS 66 -12.693 4.056 -4.818 522 HZ3 LYS 66 2HZ LYS 66 -12.773 3.907 -3.127 523 H TYR 67 H TYR 67 -5.753 -0.605 -4.862 524 HA TYR 67 HA TYR 67 -4.354 1.409 -6.472 525 HB2 TYR 67 1HB TYR 67 -3.414 -0.874 -6.094 526 HB3 TYR 67 2HB TYR 67 -4.773 -1.578 -6.960 527 HD1 TYR 67 HD2 TYR 67 -1.693 0.493 -7.300 528 HD2 TYR 67 HD1 TYR 67 -4.965 -1.332 -9.436 529 HE1 TYR 67 HE2 TYR 67 -0.532 0.909 -9.451 530 HE2 TYR 67 HE1 TYR 67 -3.790 -0.907 -11.578 531 HH TYR 67 HH TYR 67 -1.984 -0.088 -12.551 532 H ASN 68 H ASN 68 -5.399 2.563 -7.956 533 HA ASN 68 HA ASN 68 -7.359 1.334 -9.755 534 HB2 ASN 68 1HB ASN 68 -8.697 2.063 -7.777 535 HB3 ASN 68 2HB ASN 68 -8.123 3.710 -8.004 536 HD21 ASN 68 2HD2 ASN 68 -10.161 4.639 -8.595 537 HD22 ASN 68 1HD2 ASN 68 -10.999 4.203 -10.006 538 H ASP 69 H ASP 69 -7.602 2.434 -11.664 539 HA ASP 69 HA ASP 69 -5.486 3.840 -12.708 540 HB2 ASP 69 1HB ASP 69 -8.387 4.146 -13.564 541 HB3 ASP 69 2HB ASP 69 -6.964 4.455 -14.560 542 H ASP 70 H ASP 70 -8.114 5.128 -10.782 543 HA ASP 70 HA ASP 70 -7.725 7.898 -11.436 544 HB2 ASP 70 1HB ASP 70 -9.850 7.009 -10.493 545 HB3 ASP 70 2HB ASP 70 -9.020 6.642 -8.981 546 H ASN 71 H ASN 71 -6.630 5.803 -8.753 547 HA ASN 71 HA ASN 71 -5.205 7.848 -7.343 548 HB2 ASN 71 1HB ASN 71 -4.808 4.829 -7.334 549 HB3 ASN 71 2HB ASN 71 -4.110 5.956 -6.172 550 HD21 ASN 71 2HD2 ASN 71 -6.499 3.771 -6.265 551 HD22 ASN 71 1HD2 ASN 71 -7.660 4.533 -5.290 552 H VAL 72 H VAL 72 -4.390 5.606 -9.926 553 HA VAL 72 HA VAL 72 -1.566 6.139 -10.015 554 HB VAL 72 HB VAL 72 -3.466 5.171 -12.194 555 HG11 VAL 72 1HG1 VAL 72 -0.416 5.171 -12.095 556 HG12 VAL 72 2HG1 VAL 72 -1.413 6.064 -13.244 557 HG13 VAL 72 3HG1 VAL 72 -1.366 4.306 -13.300 558 HG21 VAL 72 3HG2 VAL 72 -1.577 3.644 -10.353 559 HG22 VAL 72 1HG2 VAL 72 -2.574 2.926 -11.619 560 HG23 VAL 72 2HG2 VAL 72 -3.334 3.670 -10.214 561 H LYS 73 H LYS 73 -4.396 7.496 -11.667 562 HA LYS 73 HA LYS 73 -3.172 9.314 -13.377 563 HB2 LYS 73 1HB LYS 73 -5.591 8.734 -13.375 564 HB3 LYS 73 2HB LYS 73 -5.800 9.678 -11.912 565 HG2 LYS 73 1HG LYS 73 -5.077 11.727 -13.103 566 HG3 LYS 73 2HG LYS 73 -4.826 10.780 -14.570 567 HD2 LYS 73 1HD LYS 73 -7.245 10.172 -14.583 568 HD3 LYS 73 2HD LYS 73 -7.489 11.142 -13.132 569 HE2 LYS 73 1HE LYS 73 -6.527 12.198 -15.818 570 HE3 LYS 73 2HE LYS 73 -8.144 12.414 -15.148 571 HZ1 LYS 73 3HZ LYS 73 -7.041 13.496 -13.202 572 HZ2 LYS 73 1HZ LYS 73 -6.924 14.357 -14.659 573 HZ3 LYS 73 2HZ LYS 73 -5.590 13.476 -14.086 574 H ARG 74 H ARG 74 -4.085 9.648 -9.972 575 HA ARG 74 HA ARG 74 -3.357 12.388 -9.631 576 HB2 ARG 74 1HB ARG 74 -3.595 10.081 -7.665 577 HB3 ARG 74 2HB ARG 74 -3.237 11.727 -7.143 578 HG2 ARG 74 1HG ARG 74 -5.354 12.520 -8.149 579 HG3 ARG 74 2HG ARG 74 -5.712 10.893 -8.718 580 HD2 ARG 74 1HD ARG 74 -6.946 11.341 -6.632 581 HD3 ARG 74 2HD ARG 74 -5.736 10.088 -6.364 582 HE ARG 74 HE ARG 74 -4.657 11.515 -4.890 583 HH11 ARG 74 1HH2 ARG 74 -6.803 13.362 -6.909 584 HH12 ARG 74 2HH2 ARG 74 -6.529 14.848 -6.060 585 HH21 ARG 74 1HH1 ARG 74 -4.313 13.458 -3.788 586 HH22 ARG 74 2HH1 ARG 74 -5.124 14.902 -4.301 587 H ARG 75 H ARG 75 -1.534 9.364 -9.246 588 HA ARG 75 HA ARG 75 0.868 10.569 -8.234 589 HB2 ARG 75 1HB ARG 75 0.344 8.147 -7.975 590 HB3 ARG 75 2HB ARG 75 0.534 7.919 -9.711 591 HG2 ARG 75 1HG ARG 75 2.906 8.603 -9.576 592 HG3 ARG 75 2HG ARG 75 2.731 8.962 -7.862 593 HD2 ARG 75 1HD ARG 75 3.791 6.764 -8.150 594 HD3 ARG 75 2HD ARG 75 2.185 6.553 -7.448 595 HE ARG 75 HE ARG 75 2.011 6.411 -10.275 596 HH11 ARG 75 1HH2 ARG 75 3.243 4.614 -7.557 597 HH12 ARG 75 2HH2 ARG 75 3.045 3.074 -8.329 598 HH21 ARG 75 1HH1 ARG 75 1.764 4.400 -11.261 599 HH22 ARG 75 2HH1 ARG 75 2.211 2.954 -10.416 600 H GLN 76 H GLN 76 -0.416 9.799 -11.378 601 HA GLN 76 HA GLN 76 1.918 10.438 -12.910 602 HB2 GLN 76 1HB GLN 76 0.472 9.147 -14.194 603 HB3 GLN 76 2HB GLN 76 -0.951 9.823 -13.440 604 HG2 GLN 76 1HG GLN 76 -0.916 11.778 -14.832 605 HG3 GLN 76 2HG GLN 76 0.707 11.420 -15.406 606 HE21 GLN 76 2HE2 GLN 76 -1.229 11.837 -17.356 607 HE22 GLN 76 1HE2 GLN 76 -1.654 10.366 -18.090 608 H GLU 77 H GLU 77 -0.886 12.290 -11.769 609 HA GLU 77 HA GLU 77 -0.242 14.755 -13.103 610 HB2 GLU 77 1HB GLU 77 -1.867 14.114 -10.613 611 HB3 GLU 77 2HB GLU 77 -1.643 15.780 -11.141 612 HG2 GLU 77 1HG GLU 77 -2.708 15.284 -13.298 613 HG3 GLU 77 2HG GLU 77 -2.862 13.589 -12.874 614 H LEU 78 H LEU 78 0.399 13.597 -9.793 615 HA LEU 78 HA LEU 78 1.973 15.752 -8.922 616 HB2 LEU 78 1HB LEU 78 1.931 12.836 -8.115 617 HB3 LEU 78 2HB LEU 78 2.845 14.047 -7.227 618 HG LEU 78 HG LEU 78 -0.175 14.353 -7.688 619 HD11 LEU 78 1HD1 LEU 78 -0.529 13.412 -5.418 620 HD12 LEU 78 2HD1 LEU 78 1.190 13.026 -5.313 621 HD13 LEU 78 3HD1 LEU 78 0.177 12.215 -6.504 622 HD21 LEU 78 3HD2 LEU 78 0.955 16.428 -6.932 623 HD22 LEU 78 1HD2 LEU 78 1.751 15.552 -5.628 624 HD23 LEU 78 2HD2 LEU 78 0.003 15.790 -5.606 625 H ALA 79 H ALA 79 2.810 12.782 -10.634 626 HA ALA 79 HA ALA 79 5.639 13.055 -10.529 627 HB1 ALA 79 3HB ALA 79 4.512 10.956 -11.196 628 HB2 ALA 79 1HB ALA 79 5.682 11.471 -12.411 629 HB3 ALA 79 2HB ALA 79 3.963 11.731 -12.684 630 H ARG 80 H ARG 80 3.274 14.154 -12.975 631 HA ARG 80 HA ARG 80 5.179 15.410 -14.701 632 HB2 ARG 80 1HB ARG 80 2.181 15.788 -14.315 633 HB3 ARG 80 2HB ARG 80 3.089 16.646 -15.562 634 HG2 ARG 80 1HG ARG 80 3.767 14.516 -16.590 635 HG3 ARG 80 2HG ARG 80 2.975 13.605 -15.314 636 HD2 ARG 80 1HD ARG 80 1.547 13.691 -17.327 637 HD3 ARG 80 2HD ARG 80 0.783 14.559 -15.993 638 HE ARG 80 HE ARG 80 2.354 16.353 -17.542 639 HH11 ARG 80 1HH2 ARG 80 -0.591 14.501 -17.689 640 HH12 ARG 80 2HH2 ARG 80 -1.383 15.612 -18.758 641 HH21 ARG 80 1HH1 ARG 80 1.309 17.790 -18.930 642 HH22 ARG 80 2HH1 ARG 80 -0.311 17.469 -19.457 643 H GLN 81 H GLN 81 3.208 16.545 -11.991 644 HA GLN 81 HA GLN 81 3.888 19.289 -12.141 645 HB2 GLN 81 1HB GLN 81 1.991 18.289 -10.814 646 HB3 GLN 81 2HB GLN 81 3.175 17.694 -9.657 647 HG2 GLN 81 1HG GLN 81 3.923 20.023 -9.212 648 HG3 GLN 81 2HG GLN 81 2.738 20.616 -10.373 649 HE21 GLN 81 2HE2 GLN 81 0.831 21.307 -9.385 650 HE22 GLN 81 1HE2 GLN 81 0.211 20.697 -7.928 651 H CYS 82 H CYS 82 5.436 16.524 -10.573 652 HA CYS 82 HA CYS 82 7.339 17.898 -9.014 653 HB2 CYS 82 1HB CYS 82 6.795 15.486 -8.770 654 HB3 CYS 82 2HB CYS 82 7.607 15.158 -10.298 655 HG CYS 82 HG CYS 82 9.003 15.463 -7.672 656 H GLY 83 H GLY 83 7.452 16.731 -12.361 657 HA2 GLY 83 1HA GLY 83 10.156 17.362 -12.902 658 HA3 GLY 83 2HA GLY 83 8.879 17.171 -14.102 659 H GLU 84 H GLU 84 11.110 19.182 -13.738 660 HA GLU 84 HA GLU 84 9.685 21.492 -14.675 661 HB2 GLU 84 1HB GLU 84 10.332 23.020 -12.786 662 HB3 GLU 84 2HB GLU 84 9.150 21.803 -12.308 663 HG2 GLU 84 1HG GLU 84 10.983 20.405 -11.354 664 HG3 GLU 84 2HG GLU 84 12.151 21.645 -11.799 665 H ARG 85 H ARG 85 11.173 23.348 -14.973 666 HA ARG 85 HA ARG 85 14.015 23.034 -14.895 667 HB2 ARG 85 1HB ARG 85 14.379 22.854 -17.367 668 HB3 ARG 85 2HB ARG 85 13.628 21.411 -16.694 669 HG2 ARG 85 1HG ARG 85 11.396 22.214 -17.438 670 HG3 ARG 85 2HG ARG 85 12.141 23.657 -18.123 671 HD2 ARG 85 1HD ARG 85 11.768 21.992 -19.893 672 HD3 ARG 85 2HD ARG 85 13.501 22.221 -19.640 673 HE ARG 85 HE ARG 85 12.557 20.092 -18.004 674 HH11 ARG 85 1HH2 ARG 85 13.212 20.887 -21.329 675 HH12 ARG 85 2HH2 ARG 85 13.547 19.250 -21.787 676 HH21 ARG 85 1HH1 ARG 85 12.997 17.960 -18.617 677 HH22 ARG 85 2HH1 ARG 85 13.426 17.599 -20.258 Start of MODEL 2 1 H1 MET 1 1H MET 1 -27.046 -16.094 -5.071 2 H2 MET 1 2H MET 1 -28.643 -15.979 -4.498 3 H3 MET 1 3H MET 1 -27.508 -16.939 -3.676 4 HA MET 1 HA MET 1 -26.187 -14.895 -3.230 5 HB2 MET 1 1HB MET 1 -28.742 -13.623 -4.297 6 HB3 MET 1 2HB MET 1 -27.438 -12.745 -3.499 7 HG2 MET 1 1HG MET 1 -25.864 -13.466 -5.283 8 HG3 MET 1 2HG MET 1 -27.172 -14.336 -6.078 9 HE1 MET 1 3HE MET 1 -25.238 -11.092 -5.960 10 HE2 MET 1 1HE MET 1 -26.265 -10.839 -4.542 11 HE3 MET 1 2HE MET 1 -26.444 -9.809 -5.958 12 H ASN 2 H ASN 2 -26.528 -16.207 -1.347 13 HA ASN 2 HA ASN 2 -28.159 -14.982 0.664 14 HB2 ASN 2 1HB ASN 2 -29.652 -16.943 1.109 15 HB3 ASN 2 2HB ASN 2 -29.984 -16.196 -0.445 16 HD21 ASN 2 2HD2 ASN 2 -30.918 -18.345 -1.079 17 HD22 ASN 2 1HD2 ASN 2 -29.871 -19.584 -1.578 18 H TYR 3 H TYR 3 -25.542 -16.639 -0.278 19 HA TYR 3 HA TYR 3 -25.118 -18.548 1.811 20 HB2 TYR 3 1HB TYR 3 -23.111 -17.040 0.081 21 HB3 TYR 3 2HB TYR 3 -22.746 -18.459 1.065 22 HD1 TYR 3 HD1 TYR 3 -23.650 -20.710 0.456 23 HD2 TYR 3 HD2 TYR 3 -24.443 -17.261 -2.012 24 HE1 TYR 3 HE1 TYR 3 -24.427 -22.189 -1.377 25 HE2 TYR 3 HE2 TYR 3 -25.211 -18.757 -3.835 26 HH TYR 3 HH TYR 3 -25.925 -20.905 -4.273 27 H SER 4 H SER 4 -24.304 -18.292 3.823 28 HA SER 4 HA SER 4 -24.257 -15.725 5.082 29 HB2 SER 4 1HB SER 4 -23.224 -18.408 6.056 30 HB3 SER 4 2HB SER 4 -23.461 -16.981 7.066 31 HG SER 4 HG SER 4 -25.217 -18.717 6.741 32 H THR 5 H THR 5 -22.548 -14.454 5.699 33 HA THR 5 HA THR 5 -20.158 -14.499 4.168 34 HB THR 5 HB THR 5 -20.712 -12.982 6.754 35 HG1 THR 5 HG1 THR 5 -21.546 -12.665 4.111 36 HG21 THR 5 3HG2 THR 5 -19.146 -11.318 5.764 37 HG22 THR 5 1HG2 THR 5 -18.838 -12.414 4.420 38 HG23 THR 5 2HG2 THR 5 -18.344 -12.859 6.054 39 H GLY 6 H GLY 6 -18.176 -15.328 4.592 40 HA2 GLY 6 1HA GLY 6 -17.083 -15.946 7.126 41 HA3 GLY 6 2HA GLY 6 -17.786 -17.416 6.455 42 H THR 7 H THR 7 -17.221 -17.266 3.816 43 HA THR 7 HA THR 7 -14.481 -18.018 3.676 44 HB THR 7 HB THR 7 -16.332 -17.278 1.368 45 HG1 THR 7 HG1 THR 7 -15.934 -19.821 2.526 46 HG21 THR 7 3HG2 THR 7 -13.966 -17.599 0.699 47 HG22 THR 7 1HG2 THR 7 -14.961 -18.934 0.120 48 HG23 THR 7 2HG2 THR 7 -13.935 -19.152 1.536 49 H ASP 8 H ASP 8 -16.215 -15.134 2.522 50 HA ASP 8 HA ASP 8 -13.920 -13.785 1.484 51 HB2 ASP 8 1HB ASP 8 -16.629 -12.713 2.365 52 HB3 ASP 8 2HB ASP 8 -15.444 -11.818 1.414 53 H ALA 9 H ALA 9 -12.496 -12.456 2.463 54 HA ALA 9 HA ALA 9 -12.226 -12.400 5.303 55 HB1 ALA 9 3HB ALA 9 -10.312 -12.270 3.748 56 HB2 ALA 9 1HB ALA 9 -10.332 -10.880 4.835 57 HB3 ALA 9 2HB ALA 9 -10.880 -10.708 3.165 58 H ASN 10 H ASN 10 -12.627 -10.751 6.760 59 HA ASN 10 HA ASN 10 -14.819 -9.005 6.278 60 HB2 ASN 10 1HB ASN 10 -14.220 -9.896 8.519 61 HB3 ASN 10 2HB ASN 10 -12.761 -8.911 8.518 62 HD21 ASN 10 2HD2 ASN 10 -14.441 -8.400 10.607 63 HD22 ASN 10 1HD2 ASN 10 -15.304 -6.957 10.375 64 H THR 11 H THR 11 -11.313 -8.479 6.368 65 HA THR 11 HA THR 11 -11.432 -5.627 6.019 66 HB THR 11 HB THR 11 -9.002 -5.848 5.527 67 HG1 THR 11 HG1 THR 11 -8.106 -7.855 5.362 68 HG21 THR 11 3HG2 THR 11 -8.348 -6.885 7.688 69 HG22 THR 11 1HG2 THR 11 -9.965 -7.573 7.847 70 HG23 THR 11 2HG2 THR 11 -9.742 -5.822 7.885 71 H LEU 12 H LEU 12 -10.845 -4.458 4.141 72 HA LEU 12 HA LEU 12 -11.973 -5.566 1.659 73 HB2 LEU 12 1HB LEU 12 -11.107 -2.811 2.600 74 HB3 LEU 12 2HB LEU 12 -11.421 -3.094 0.889 75 HG LEU 12 HG LEU 12 -13.730 -3.837 1.426 76 HD11 LEU 12 1HD1 LEU 12 -14.602 -3.404 3.790 77 HD12 LEU 12 2HD1 LEU 12 -12.921 -3.256 4.305 78 HD13 LEU 12 3HD1 LEU 12 -13.515 -4.776 3.636 79 HD21 LEU 12 3HD2 LEU 12 -14.627 -1.623 2.110 80 HD22 LEU 12 1HD2 LEU 12 -13.313 -1.441 0.946 81 HD23 LEU 12 2HD2 LEU 12 -13.021 -1.145 2.660 82 H PHE 13 H PHE 13 -8.968 -5.596 3.079 83 HA PHE 13 HA PHE 13 -7.499 -5.668 0.463 84 HB2 PHE 13 1HB PHE 13 -6.515 -4.985 3.261 85 HB3 PHE 13 2HB PHE 13 -5.489 -5.099 1.829 86 HD1 PHE 13 HD1 PHE 13 -5.699 -3.445 -0.035 87 HD2 PHE 13 HD2 PHE 13 -8.066 -3.060 3.551 88 HE1 PHE 13 HE1 PHE 13 -6.294 -1.124 -0.666 89 HE2 PHE 13 HE2 PHE 13 -8.647 -0.735 2.912 90 HZ PHE 13 HZ PHE 13 -7.767 0.232 0.803 91 H VAL 14 H VAL 14 -6.288 -7.413 0.002 92 HA VAL 14 HA VAL 14 -6.059 -9.655 1.962 93 HB VAL 14 HB VAL 14 -6.487 -11.234 0.093 94 HG11 VAL 14 1HG1 VAL 14 -8.349 -10.568 1.601 95 HG12 VAL 14 2HG1 VAL 14 -8.943 -10.869 -0.031 96 HG13 VAL 14 3HG1 VAL 14 -8.730 -9.212 0.537 97 HG21 VAL 14 3HG2 VAL 14 -7.143 -8.697 -1.478 98 HG22 VAL 14 1HG2 VAL 14 -7.554 -10.327 -2.012 99 HG23 VAL 14 2HG2 VAL 14 -5.870 -9.863 -1.836 100 H ASP 15 H ASP 15 -4.320 -11.060 1.614 101 HA ASP 15 HA ASP 15 -1.872 -9.815 0.981 102 HB2 ASP 15 1HB ASP 15 -0.913 -12.077 1.312 103 HB3 ASP 15 2HB ASP 15 -2.087 -11.685 2.565 104 H GLY 16 H GLY 16 -0.509 -9.980 -0.755 105 HA2 GLY 16 1HA GLY 16 0.288 -10.656 -2.852 106 HA3 GLY 16 2HA GLY 16 -1.173 -11.591 -3.129 107 H GLU 17 H GLU 17 -2.435 -8.869 -2.051 108 HA GLU 17 HA GLU 17 -3.112 -7.848 -4.682 109 HB2 GLU 17 1HB GLU 17 -4.727 -7.958 -2.793 110 HB3 GLU 17 2HB GLU 17 -3.800 -6.744 -1.926 111 HG2 GLU 17 1HG GLU 17 -4.225 -5.111 -3.748 112 HG3 GLU 17 2HG GLU 17 -5.097 -6.340 -4.656 113 H ARG 18 H ARG 18 -2.447 -5.989 -5.624 114 HA ARG 18 HA ARG 18 -0.019 -4.679 -4.630 115 HB2 ARG 18 1HB ARG 18 -0.347 -5.333 -7.050 116 HB3 ARG 18 2HB ARG 18 -1.633 -4.143 -7.159 117 HG2 ARG 18 1HG ARG 18 0.231 -2.920 -8.002 118 HG3 ARG 18 2HG ARG 18 0.223 -2.411 -6.320 119 HD2 ARG 18 1HD ARG 18 2.507 -2.974 -7.038 120 HD3 ARG 18 2HD ARG 18 1.974 -4.127 -5.822 121 HE ARG 18 HE ARG 18 1.364 -5.094 -8.434 122 HH11 ARG 18 1HH2 ARG 18 4.010 -4.563 -6.243 123 HH12 ARG 18 2HH2 ARG 18 4.997 -5.814 -6.922 124 HH21 ARG 18 1HH1 ARG 18 2.662 -6.729 -9.319 125 HH22 ARG 18 2HH1 ARG 18 4.236 -7.038 -8.661 126 H VAL 19 H VAL 19 -0.007 -2.749 -3.589 127 HA VAL 19 HA VAL 19 -2.343 -0.907 -3.748 128 HB VAL 19 HB VAL 19 -2.320 -0.569 -1.312 129 HG11 VAL 19 1HG1 VAL 19 -2.575 -3.523 -2.015 130 HG12 VAL 19 2HG1 VAL 19 -3.828 -2.305 -2.263 131 HG13 VAL 19 3HG1 VAL 19 -3.308 -2.719 -0.629 132 HG21 VAL 19 3HG2 VAL 19 0.006 -1.070 -0.738 133 HG22 VAL 19 1HG2 VAL 19 -0.149 -2.725 -1.323 134 HG23 VAL 19 2HG2 VAL 19 -1.003 -2.212 0.133 135 H LEU 20 H LEU 20 -1.820 1.194 -2.685 136 HA LEU 20 HA LEU 20 0.983 2.029 -3.316 137 HB2 LEU 20 1HB LEU 20 -1.564 3.690 -3.404 138 HB3 LEU 20 2HB LEU 20 0.044 4.192 -3.923 139 HG LEU 20 HG LEU 20 -1.610 1.957 -5.186 140 HD11 LEU 20 1HD1 LEU 20 -2.508 4.199 -5.655 141 HD12 LEU 20 2HD1 LEU 20 -1.815 3.493 -7.110 142 HD13 LEU 20 3HD1 LEU 20 -0.925 4.731 -6.221 143 HD21 LEU 20 3HD2 LEU 20 1.189 3.000 -5.800 144 HD22 LEU 20 1HD2 LEU 20 0.222 2.198 -7.040 145 HD23 LEU 20 2HD2 LEU 20 0.659 1.330 -5.583 146 H CYS 21 H CYS 21 2.084 3.243 -1.894 147 HA CYS 21 HA CYS 21 0.846 3.871 0.767 148 HB2 CYS 21 1HB CYS 21 3.582 2.723 0.122 149 HB3 CYS 21 2HB CYS 21 3.134 3.352 1.710 150 HG CYS 21 HG CYS 21 1.416 1.453 1.976 151 H PHE 22 H PHE 22 0.729 6.008 0.947 152 HA PHE 22 HA PHE 22 2.670 7.793 -0.400 153 HB2 PHE 22 1HB PHE 22 1.116 9.591 0.273 154 HB3 PHE 22 2HB PHE 22 0.283 8.323 -0.623 155 HD1 PHE 22 HD1 PHE 22 0.747 9.860 2.731 156 HD2 PHE 22 HD2 PHE 22 -1.338 6.807 0.509 157 HE1 PHE 22 HE1 PHE 22 -0.826 9.548 4.621 158 HE2 PHE 22 HE2 PHE 22 -2.904 6.507 2.404 159 HZ PHE 22 HZ PHE 22 -2.654 7.880 4.459 160 H HIS 23 H HIS 23 3.812 9.403 0.757 161 HA HIS 23 HA HIS 23 3.913 9.367 3.671 162 HB2 HIS 23 1HB HIS 23 5.327 7.391 3.013 163 HB3 HIS 23 2HB HIS 23 6.371 8.470 2.095 164 HD1 HIS 23 HD1 HIS 23 5.177 7.881 5.661 165 HD2 HIS 23 HD2 HIS 23 8.298 9.777 3.650 166 HE1 HIS 23 HE1 HIS 23 6.828 8.617 7.434 167 HE2 HIS 23 HE2 HIS 23 8.738 9.774 6.225 168 H GLY 24 H GLY 24 3.825 11.029 0.981 169 HA2 GLY 24 1HA GLY 24 4.648 13.486 2.077 170 HA3 GLY 24 2HA GLY 24 5.956 12.889 1.057 171 HA PRO 25 HA PRO 25 2.899 15.407 -1.527 172 HB2 PRO 25 1HB PRO 25 5.584 16.116 -2.766 173 HB3 PRO 25 2HB PRO 25 4.179 17.175 -2.475 174 HG2 PRO 25 1HG PRO 25 6.234 17.352 -0.838 175 HG3 PRO 25 2HG PRO 25 4.600 17.254 -0.134 176 HD2 PRO 25 1HD PRO 25 6.631 15.003 -0.434 177 HD3 PRO 25 2HD PRO 25 5.678 15.457 1.003 178 H LEU 26 H LEU 26 4.755 12.690 -1.920 179 HA LEU 26 HA LEU 26 3.728 12.170 -4.668 180 HB2 LEU 26 1HB LEU 26 6.555 11.847 -3.643 181 HB3 LEU 26 2HB LEU 26 5.996 10.824 -4.957 182 HG LEU 26 HG LEU 26 5.717 13.866 -5.161 183 HD11 LEU 26 1HD1 LEU 26 8.146 12.224 -5.959 184 HD12 LEU 26 2HD1 LEU 26 8.094 13.444 -4.687 185 HD13 LEU 26 3HD1 LEU 26 7.888 13.923 -6.368 186 HD21 LEU 26 3HD2 LEU 26 6.032 11.667 -7.270 187 HD22 LEU 26 1HD2 LEU 26 5.792 13.381 -7.607 188 HD23 LEU 26 2HD2 LEU 26 4.514 12.444 -6.852 189 H ILE 27 H ILE 27 3.299 10.094 -5.181 190 HA ILE 27 HA ILE 27 2.749 8.274 -2.908 191 HB ILE 27 HB ILE 27 1.715 8.246 -5.783 192 HG12 ILE 27 1HG1 ILE 27 0.275 9.085 -3.212 193 HG13 ILE 27 2HG1 ILE 27 0.955 10.233 -4.358 194 HG21 ILE 27 1HG2 ILE 27 1.688 5.987 -4.741 195 HG22 ILE 27 2HG2 ILE 27 0.049 6.599 -4.860 196 HG23 ILE 27 3HG2 ILE 27 0.890 6.645 -3.314 197 HD11 ILE 27 3HD1 ILE 27 -0.508 9.299 -6.142 198 HD12 ILE 27 1HD1 ILE 27 -1.426 9.965 -4.793 199 HD13 ILE 27 2HD1 ILE 27 -1.237 8.222 -4.951 200 H TYR 28 H TYR 28 3.593 6.264 -2.824 201 HA TYR 28 HA TYR 28 5.640 5.428 -4.858 202 HB2 TYR 28 1HB TYR 28 5.593 4.993 -1.845 203 HB3 TYR 28 2HB TYR 28 6.841 4.407 -2.949 204 HD1 TYR 28 HD2 TYR 28 5.317 7.459 -1.427 205 HD2 TYR 28 HD1 TYR 28 8.491 5.970 -3.945 206 HE1 TYR 28 HE2 TYR 28 6.448 9.664 -1.328 207 HE2 TYR 28 HE1 TYR 28 9.600 8.184 -3.836 208 HH TYR 28 HH TYR 28 8.499 10.776 -3.303 209 H GLU 29 H GLU 29 5.795 3.237 -5.318 210 HA GLU 29 HA GLU 29 3.310 1.736 -5.135 211 HB2 GLU 29 1HB GLU 29 4.700 1.825 -7.208 212 HB3 GLU 29 2HB GLU 29 5.981 0.946 -6.377 213 HG2 GLU 29 1HG GLU 29 4.461 -0.988 -6.043 214 HG3 GLU 29 2HG GLU 29 3.145 -0.099 -6.805 215 H ALA 30 H ALA 30 2.949 -0.099 -3.995 216 HA ALA 30 HA ALA 30 5.067 -1.454 -2.469 217 HB1 ALA 30 3HB ALA 30 3.945 -1.107 -0.323 218 HB2 ALA 30 1HB ALA 30 2.692 -0.143 -1.096 219 HB3 ALA 30 2HB ALA 30 4.349 0.451 -1.028 220 H LYS 31 H LYS 31 3.950 -3.304 -1.148 221 HA LYS 31 HA LYS 31 1.487 -4.336 -2.418 222 HB2 LYS 31 1HB LYS 31 3.393 -5.096 -3.860 223 HB3 LYS 31 2HB LYS 31 4.092 -5.915 -2.467 224 HG2 LYS 31 1HG LYS 31 2.105 -7.377 -2.289 225 HG3 LYS 31 2HG LYS 31 1.314 -6.496 -3.592 226 HD2 LYS 31 1HD LYS 31 2.236 -8.578 -4.476 227 HD3 LYS 31 2HD LYS 31 3.123 -7.217 -5.156 228 HE2 LYS 31 1HE LYS 31 4.218 -8.562 -2.657 229 HE3 LYS 31 2HE LYS 31 4.470 -9.317 -4.229 230 HZ1 LYS 31 3HZ LYS 31 6.090 -7.900 -4.622 231 HZ2 LYS 31 1HZ LYS 31 5.844 -7.152 -3.119 232 HZ3 LYS 31 2HZ LYS 31 5.017 -6.588 -4.492 233 H VAL 32 H VAL 32 0.369 -5.765 -1.189 234 HA VAL 32 HA VAL 32 1.067 -5.937 1.648 235 HB VAL 32 HB VAL 32 -1.408 -7.057 0.235 236 HG11 VAL 32 1HG1 VAL 32 -0.889 -6.264 3.136 237 HG12 VAL 32 2HG1 VAL 32 -1.016 -7.916 2.537 238 HG13 VAL 32 3HG1 VAL 32 -2.422 -6.857 2.496 239 HG21 VAL 32 3HG2 VAL 32 -2.530 -4.940 0.906 240 HG22 VAL 32 1HG2 VAL 32 -1.228 -4.647 -0.240 241 HG23 VAL 32 2HG2 VAL 32 -0.985 -4.309 1.470 242 H LEU 33 H LEU 33 2.329 -7.566 2.314 243 HA LEU 33 HA LEU 33 2.477 -10.096 0.809 244 HB2 LEU 33 1HB LEU 33 4.428 -8.642 2.112 245 HB3 LEU 33 2HB LEU 33 4.054 -9.822 3.359 246 HG LEU 33 HG LEU 33 4.880 -10.471 0.499 247 HD11 LEU 33 1HD1 LEU 33 6.967 -11.301 1.541 248 HD12 LEU 33 2HD1 LEU 33 6.382 -10.783 3.124 249 HD13 LEU 33 3HD1 LEU 33 6.730 -9.585 1.875 250 HD21 LEU 33 3HD2 LEU 33 3.461 -12.280 1.213 251 HD22 LEU 33 1HD2 LEU 33 4.127 -12.274 2.846 252 HD23 LEU 33 2HD2 LEU 33 5.092 -12.857 1.489 253 H LYS 34 H LYS 34 1.288 -8.903 3.893 254 HA LYS 34 HA LYS 34 -0.319 -11.328 4.246 255 HB2 LYS 34 1HB LYS 34 2.002 -11.773 5.275 256 HB3 LYS 34 2HB LYS 34 1.607 -10.583 6.493 257 HG2 LYS 34 1HG LYS 34 -0.497 -11.962 7.007 258 HG3 LYS 34 2HG LYS 34 0.169 -13.217 5.969 259 HD2 LYS 34 1HD LYS 34 1.445 -12.089 8.505 260 HD3 LYS 34 2HD LYS 34 0.708 -13.678 8.334 261 HE2 LYS 34 1HE LYS 34 2.483 -14.119 6.481 262 HE3 LYS 34 2HE LYS 34 3.314 -12.693 7.117 263 HZ1 LYS 34 3HZ LYS 34 2.482 -15.005 8.776 264 HZ2 LYS 34 1HZ LYS 34 3.455 -13.696 9.247 265 HZ3 LYS 34 2HZ LYS 34 4.034 -14.818 8.110 266 H THR 35 H THR 35 -1.928 -11.104 5.849 267 HA THR 35 HA THR 35 -2.382 -8.398 6.998 268 HB THR 35 HB THR 35 -3.545 -8.256 4.876 269 HG1 THR 35 HG1 THR 35 -5.110 -8.812 7.143 270 HG21 THR 35 3HG2 THR 35 -5.273 -9.945 4.250 271 HG22 THR 35 1HG2 THR 35 -4.745 -10.970 5.571 272 HG23 THR 35 2HG2 THR 35 -3.647 -10.618 4.242 273 H LYS 36 H LYS 36 -3.633 -8.378 8.810 274 HA LYS 36 HA LYS 36 -4.392 -11.055 9.950 275 HB2 LYS 36 1HB LYS 36 -2.568 -9.859 11.132 276 HB3 LYS 36 2HB LYS 36 -3.665 -8.536 11.452 277 HG2 LYS 36 1HG LYS 36 -5.159 -10.041 12.736 278 HG3 LYS 36 2HG LYS 36 -4.105 -11.405 12.360 279 HD2 LYS 36 1HD LYS 36 -2.241 -10.295 13.583 280 HD3 LYS 36 2HD LYS 36 -3.315 -8.954 13.984 281 HE2 LYS 36 1HE LYS 36 -4.801 -10.511 15.217 282 HE3 LYS 36 2HE LYS 36 -3.730 -11.855 14.810 283 HZ1 LYS 36 3HZ LYS 36 -3.519 -10.376 17.024 284 HZ2 LYS 36 1HZ LYS 36 -2.431 -9.567 16.005 285 HZ3 LYS 36 2HZ LYS 36 -2.227 -11.225 16.318 286 HA PRO 37 HA PRO 37 -8.363 -8.607 9.527 287 HB2 PRO 37 1HB PRO 37 -9.931 -10.389 8.258 288 HB3 PRO 37 2HB PRO 37 -8.602 -9.598 7.371 289 HG2 PRO 37 1HG PRO 37 -8.587 -12.312 8.709 290 HG3 PRO 37 2HG PRO 37 -8.154 -11.908 7.029 291 HD2 PRO 37 1HD PRO 37 -6.246 -12.124 8.992 292 HD3 PRO 37 2HD PRO 37 -6.063 -10.961 7.660 293 H ASP 38 H ASP 38 -7.255 -10.834 11.546 294 HA ASP 38 HA ASP 38 -9.573 -12.085 12.653 295 HB2 ASP 38 1HB ASP 38 -7.239 -12.906 12.935 296 HB3 ASP 38 2HB ASP 38 -6.882 -11.514 13.950 297 H ALA 39 H ALA 39 -8.882 -8.883 12.544 298 HA ALA 39 HA ALA 39 -10.742 -8.218 14.679 299 HB1 ALA 39 3HB ALA 39 -8.656 -8.552 15.977 300 HB2 ALA 39 1HB ALA 39 -9.155 -6.860 16.005 301 HB3 ALA 39 2HB ALA 39 -7.829 -7.376 14.958 302 H THR 40 H THR 40 -11.229 -5.943 14.762 303 HA THR 40 HA THR 40 -10.335 -4.306 12.461 304 HB THR 40 HB THR 40 -12.634 -3.720 11.876 305 HG1 THR 40 HG1 THR 40 -13.414 -5.689 13.752 306 HG21 THR 40 3HG2 THR 40 -11.545 -5.778 10.842 307 HG22 THR 40 1HG2 THR 40 -13.310 -5.829 10.870 308 HG23 THR 40 2HG2 THR 40 -12.387 -6.749 12.052 309 HA PRO 41 HA PRO 41 -9.568 -2.207 12.132 310 HB2 PRO 41 1HB PRO 41 -7.765 -0.442 13.150 311 HB3 PRO 41 2HB PRO 41 -9.438 0.063 12.798 312 HG2 PRO 41 1HG PRO 41 -8.303 -0.881 15.445 313 HG3 PRO 41 2HG PRO 41 -9.170 0.640 15.096 314 HD2 PRO 41 1HD PRO 41 -10.543 -1.453 16.097 315 HD3 PRO 41 2HD PRO 41 -11.267 -0.484 14.788 316 H VAL 42 H VAL 42 -7.077 -2.377 11.868 317 HA VAL 42 HA VAL 42 -5.579 -3.876 13.835 318 HB VAL 42 HB VAL 42 -7.207 -5.608 13.048 319 HG11 VAL 42 1HG1 VAL 42 -7.206 -6.415 10.754 320 HG12 VAL 42 2HG1 VAL 42 -5.858 -5.369 10.327 321 HG13 VAL 42 3HG1 VAL 42 -7.432 -4.671 10.704 322 HG21 VAL 42 3HG2 VAL 42 -5.627 -7.386 12.907 323 HG22 VAL 42 1HG2 VAL 42 -4.711 -6.132 13.724 324 HG23 VAL 42 2HG2 VAL 42 -4.474 -6.419 12.008 325 H GLU 43 H GLU 43 -3.557 -4.904 12.678 326 HA GLU 43 HA GLU 43 -2.356 -2.801 10.989 327 HB2 GLU 43 1HB GLU 43 -0.216 -3.884 11.632 328 HB3 GLU 43 2HB GLU 43 -1.154 -3.393 13.043 329 HG2 GLU 43 1HG GLU 43 -1.989 -5.728 13.292 330 HG3 GLU 43 2HG GLU 43 -1.024 -6.223 11.907 331 H TYR 44 H TYR 44 -0.949 -3.472 9.247 332 HA TYR 44 HA TYR 44 -1.643 -6.027 7.881 333 HB2 TYR 44 1HB TYR 44 -1.709 -3.219 6.711 334 HB3 TYR 44 2HB TYR 44 -1.864 -4.701 5.765 335 HD1 TYR 44 HD1 TYR 44 -3.493 -2.615 8.422 336 HD2 TYR 44 HD2 TYR 44 -3.962 -6.004 5.798 337 HE1 TYR 44 HE1 TYR 44 -5.910 -2.737 8.979 338 HE2 TYR 44 HE2 TYR 44 -6.372 -6.102 6.366 339 HH TYR 44 HH TYR 44 -7.986 -3.594 7.978 340 H TYR 45 H TYR 45 -0.061 -6.906 6.685 341 HA TYR 45 HA TYR 45 2.683 -5.881 7.158 342 HB2 TYR 45 1HB TYR 45 1.980 -8.350 7.391 343 HB3 TYR 45 2HB TYR 45 1.987 -8.411 5.638 344 HD1 TYR 45 HD1 TYR 45 4.171 -7.648 4.381 345 HD2 TYR 45 HD2 TYR 45 4.096 -8.610 8.574 346 HE1 TYR 45 HE1 TYR 45 6.621 -7.991 4.358 347 HE2 TYR 45 HE2 TYR 45 6.549 -8.944 8.535 348 HH TYR 45 HH TYR 45 8.477 -8.061 5.793 349 H ILE 46 H ILE 46 3.471 -4.454 5.755 350 HA ILE 46 HA ILE 46 3.194 -4.951 2.840 351 HB ILE 46 HB ILE 46 2.846 -2.153 4.031 352 HG12 ILE 46 1HG1 ILE 46 0.698 -4.248 3.414 353 HG13 ILE 46 2HG1 ILE 46 0.992 -3.445 4.955 354 HG21 ILE 46 1HG2 ILE 46 1.981 -3.268 1.323 355 HG22 ILE 46 2HG2 ILE 46 3.530 -2.484 1.583 356 HG23 ILE 46 3HG2 ILE 46 2.045 -1.576 1.800 357 HD11 ILE 46 3HD1 ILE 46 -0.118 -2.228 2.432 358 HD12 ILE 46 1HD1 ILE 46 0.387 -1.277 3.827 359 HD13 ILE 46 2HD1 ILE 46 -0.926 -2.446 3.978 360 H HIS 47 H HIS 47 4.885 -4.198 1.611 361 HA HIS 47 HA HIS 47 7.197 -2.887 2.894 362 HB2 HIS 47 1HB HIS 47 8.733 -4.603 1.962 363 HB3 HIS 47 2HB HIS 47 7.635 -5.300 3.150 364 HD1 HIS 47 HD1 HIS 47 8.977 -6.070 -0.012 365 HD2 HIS 47 HD2 HIS 47 5.126 -6.316 1.567 366 HE1 HIS 47 HE1 HIS 47 7.711 -7.713 -1.464 367 HE2 HIS 47 HE2 HIS 47 5.359 -7.868 -0.517 368 H TYR 48 H TYR 48 8.487 -1.779 1.451 369 HA TYR 48 HA TYR 48 7.246 -0.752 -0.898 370 HB2 TYR 48 1HB TYR 48 10.139 -0.599 0.032 371 HB3 TYR 48 2HB TYR 48 9.438 0.391 -1.249 372 HD1 TYR 48 HD2 TYR 48 7.347 1.828 -0.682 373 HD2 TYR 48 HD1 TYR 48 9.902 0.136 2.359 374 HE1 TYR 48 HE2 TYR 48 6.451 3.431 0.984 375 HE2 TYR 48 HE1 TYR 48 8.990 1.748 4.006 376 HH TYR 48 HH TYR 48 7.590 3.423 4.359 377 H ALA 49 H ALA 49 7.436 -1.305 -3.010 378 HA ALA 49 HA ALA 49 8.256 -3.911 -3.766 379 HB1 ALA 49 3HB ALA 49 7.781 -3.156 -6.074 380 HB2 ALA 49 1HB ALA 49 7.728 -1.481 -5.518 381 HB3 ALA 49 2HB ALA 49 6.513 -2.630 -4.963 382 H GLY 50 H GLY 50 10.075 -4.670 -4.791 383 HA2 GLY 50 1HA GLY 50 12.189 -4.702 -5.755 384 HA3 GLY 50 2HA GLY 50 12.209 -2.943 -5.770 385 H TRP 51 H TRP 51 11.473 -4.677 -2.836 386 HA TRP 51 HA TRP 51 14.236 -4.401 -1.781 387 HB2 TRP 51 1HB TRP 51 11.776 -3.150 -0.487 388 HB3 TRP 51 2HB TRP 51 13.389 -3.208 0.224 389 HD1 TRP 51 HD1 TRP 51 11.302 -1.130 -2.076 390 HE1 TRP 51 HE1 TRP 51 12.730 0.732 -3.135 391 HE3 TRP 51 HE3 TRP 51 15.962 -2.740 -0.750 392 HZ2 TRP 51 HZ2 TRP 51 15.485 1.445 -3.393 393 HZ3 TRP 51 HZ3 TRP 51 17.974 -1.450 -1.417 394 HH2 TRP 51 HH2 TRP 51 17.741 0.640 -2.736 395 H SER 52 H SER 52 14.604 -5.552 0.152 396 HA SER 52 HA SER 52 13.393 -8.136 0.224 397 HB2 SER 52 1HB SER 52 14.852 -8.530 2.151 398 HB3 SER 52 2HB SER 52 15.744 -7.660 0.904 399 HG SER 52 HG SER 52 16.047 -6.173 2.339 400 H LYS 53 H LYS 53 12.269 -9.100 2.012 401 HA LYS 53 HA LYS 53 10.175 -7.407 3.129 402 HB2 LYS 53 1HB LYS 53 9.155 -9.535 3.846 403 HB3 LYS 53 2HB LYS 53 9.573 -9.566 2.133 404 HG2 LYS 53 1HG LYS 53 11.657 -10.821 2.675 405 HG3 LYS 53 2HG LYS 53 11.203 -10.831 4.381 406 HD2 LYS 53 1HD LYS 53 9.130 -12.079 3.836 407 HD3 LYS 53 2HD LYS 53 9.564 -12.064 2.124 408 HE2 LYS 53 1HE LYS 53 10.176 -14.223 3.171 409 HE3 LYS 53 2HE LYS 53 11.618 -13.359 2.634 410 HZ1 LYS 53 3HZ LYS 53 11.163 -14.316 5.142 411 HZ2 LYS 53 1HZ LYS 53 10.838 -12.658 5.297 412 HZ3 LYS 53 2HZ LYS 53 12.347 -13.177 4.711 413 H ASN 54 H ASN 54 13.242 -8.178 4.135 414 HA ASN 54 HA ASN 54 12.921 -8.847 6.866 415 HB2 ASN 54 1HB ASN 54 15.191 -7.306 5.550 416 HB3 ASN 54 2HB ASN 54 15.265 -8.141 7.102 417 HD21 ASN 54 2HD2 ASN 54 17.105 -9.336 5.921 418 HD22 ASN 54 1HD2 ASN 54 16.683 -10.683 4.977 419 H TRP 55 H TRP 55 12.536 -5.869 5.163 420 HA TRP 55 HA TRP 55 12.926 -4.035 7.333 421 HB2 TRP 55 1HB TRP 55 11.319 -3.801 4.754 422 HB3 TRP 55 2HB TRP 55 11.611 -2.454 5.855 423 HD1 TRP 55 HD1 TRP 55 13.721 -5.068 3.913 424 HE1 TRP 55 HE1 TRP 55 15.887 -3.919 3.124 425 HE3 TRP 55 HE3 TRP 55 13.062 -0.439 5.970 426 HZ2 TRP 55 HZ2 TRP 55 17.172 -1.373 3.333 427 HZ3 TRP 55 HZ3 TRP 55 14.772 1.330 5.659 428 HH2 TRP 55 HH2 TRP 55 16.826 0.869 4.343 429 H ASP 56 H ASP 56 10.225 -5.940 6.199 430 HA ASP 56 HA ASP 56 8.014 -6.097 6.880 431 HB2 ASP 56 1HB ASP 56 7.875 -6.921 9.205 432 HB3 ASP 56 2HB ASP 56 9.265 -7.606 8.368 433 H GLU 57 H GLU 57 7.483 -3.818 6.302 434 HA GLU 57 HA GLU 57 7.265 -1.920 8.547 435 HB2 GLU 57 1HB GLU 57 8.026 -1.320 6.154 436 HB3 GLU 57 2HB GLU 57 6.343 -1.483 5.676 437 HG2 GLU 57 1HG GLU 57 5.738 0.218 7.436 438 HG3 GLU 57 2HG GLU 57 7.444 0.432 7.777 439 H TRP 58 H TRP 58 5.640 -2.581 9.871 440 HA TRP 58 HA TRP 58 3.034 -3.458 8.868 441 HB2 TRP 58 1HB TRP 58 4.444 -3.388 11.519 442 HB3 TRP 58 2HB TRP 58 2.712 -3.119 11.630 443 HD1 TRP 58 HD1 TRP 58 1.288 -5.041 10.015 444 HE1 TRP 58 HE1 TRP 58 1.559 -7.595 10.160 445 HE3 TRP 58 HE3 TRP 58 5.936 -5.317 12.115 446 HZ2 TRP 58 HZ2 TRP 58 3.476 -9.515 11.039 447 HZ3 TRP 58 HZ3 TRP 58 6.962 -7.525 12.604 448 HH2 TRP 58 HH2 TRP 58 5.739 -9.622 12.074 449 H VAL 59 H VAL 59 1.311 -2.133 8.527 450 HA VAL 59 HA VAL 59 1.229 0.527 9.815 451 HB VAL 59 HB VAL 59 0.560 1.562 7.562 452 HG11 VAL 59 1HG1 VAL 59 3.368 0.437 7.763 453 HG12 VAL 59 2HG1 VAL 59 2.813 1.921 8.523 454 HG13 VAL 59 3HG1 VAL 59 2.886 1.802 6.764 455 HG21 VAL 59 3HG2 VAL 59 1.240 0.337 5.527 456 HG22 VAL 59 1HG2 VAL 59 0.031 -0.585 6.418 457 HG23 VAL 59 2HG2 VAL 59 1.730 -1.047 6.501 458 HA PRO 60 HA PRO 60 -3.144 -0.335 10.026 459 HB2 PRO 60 1HB PRO 60 -3.832 2.567 10.070 460 HB3 PRO 60 2HB PRO 60 -3.876 1.408 11.417 461 HG2 PRO 60 1HG PRO 60 -2.044 3.397 11.346 462 HG3 PRO 60 2HG PRO 60 -1.637 1.785 11.990 463 HD2 PRO 60 1HD PRO 60 -1.142 2.820 9.163 464 HD3 PRO 60 2HD PRO 60 0.030 2.156 10.312 465 H GLU 61 H GLU 61 -5.140 -0.168 8.859 466 HA GLU 61 HA GLU 61 -4.970 -0.183 6.071 467 HB2 GLU 61 1HB GLU 61 -7.490 -0.060 6.119 468 HB3 GLU 61 2HB GLU 61 -6.827 -1.260 7.223 469 HG2 GLU 61 1HG GLU 61 -7.042 0.343 9.112 470 HG3 GLU 61 2HG GLU 61 -7.713 1.545 8.014 471 H ASN 62 H ASN 62 -5.052 2.515 8.146 472 HA ASN 62 HA ASN 62 -6.358 4.452 6.531 473 HB2 ASN 62 1HB ASN 62 -5.841 4.719 8.959 474 HB3 ASN 62 2HB ASN 62 -4.138 4.900 8.561 475 HD21 ASN 62 2HD2 ASN 62 -5.552 6.988 9.881 476 HD22 ASN 62 1HD2 ASN 62 -5.700 8.307 8.824 477 H ARG 63 H ARG 63 -2.918 3.516 6.721 478 HA ARG 63 HA ARG 63 -2.100 5.472 4.704 479 HB2 ARG 63 1HB ARG 63 -0.626 3.248 6.162 480 HB3 ARG 63 2HB ARG 63 0.153 4.287 4.966 481 HG2 ARG 63 1HG ARG 63 -0.409 6.281 6.316 482 HG3 ARG 63 2HG ARG 63 -1.211 5.260 7.510 483 HD2 ARG 63 1HD ARG 63 0.931 4.120 7.989 484 HD3 ARG 63 2HD ARG 63 1.733 5.095 6.760 485 HE ARG 63 HE ARG 63 1.836 6.844 8.270 486 HH11 ARG 63 1HH2 ARG 63 -0.595 4.593 9.298 487 HH12 ARG 63 2HH2 ARG 63 -0.876 5.378 10.815 488 HH21 ARG 63 1HH1 ARG 63 1.448 7.884 10.248 489 HH22 ARG 63 2HH1 ARG 63 0.274 7.239 11.348 490 H VAL 64 H VAL 64 -3.736 2.623 4.468 491 HA VAL 64 HA VAL 64 -2.365 1.675 2.016 492 HB VAL 64 HB VAL 64 -4.753 0.436 3.458 493 HG11 VAL 64 1HG1 VAL 64 -4.388 -0.308 1.103 494 HG12 VAL 64 2HG1 VAL 64 -4.049 -1.606 2.240 495 HG13 VAL 64 3HG1 VAL 64 -2.721 -0.718 1.492 496 HG21 VAL 64 3HG2 VAL 64 -3.064 -1.093 4.489 497 HG22 VAL 64 1HG2 VAL 64 -2.833 0.574 5.007 498 HG23 VAL 64 2HG2 VAL 64 -1.775 -0.116 3.787 499 H LEU 65 H LEU 65 -3.075 2.240 0.075 500 HA LEU 65 HA LEU 65 -5.857 3.280 -0.269 501 HB2 LEU 65 1HB LEU 65 -4.102 5.033 -0.488 502 HB3 LEU 65 2HB LEU 65 -3.361 4.106 -1.780 503 HG LEU 65 HG LEU 65 -5.475 4.345 -3.130 504 HD11 LEU 65 1HD1 LEU 65 -7.270 4.642 -1.599 505 HD12 LEU 65 2HD1 LEU 65 -7.085 6.245 -2.276 506 HD13 LEU 65 3HD1 LEU 65 -6.423 5.887 -0.682 507 HD21 LEU 65 3HD2 LEU 65 -5.180 6.748 -3.659 508 HD22 LEU 65 1HD2 LEU 65 -3.620 5.960 -3.418 509 HD23 LEU 65 2HD2 LEU 65 -4.304 6.976 -2.146 510 H LYS 66 H LYS 66 -7.084 2.360 -1.789 511 HA LYS 66 HA LYS 66 -6.420 -0.113 -2.957 512 HB2 LYS 66 1HB LYS 66 -8.541 0.200 -4.264 513 HB3 LYS 66 2HB LYS 66 -8.741 0.510 -2.538 514 HG2 LYS 66 1HG LYS 66 -8.519 2.961 -2.961 515 HG3 LYS 66 2HG LYS 66 -8.373 2.642 -4.689 516 HD2 LYS 66 1HD LYS 66 -10.631 1.598 -4.687 517 HD3 LYS 66 2HD LYS 66 -10.778 1.929 -2.961 518 HE2 LYS 66 1HE LYS 66 -10.435 4.035 -5.132 519 HE3 LYS 66 2HE LYS 66 -11.943 3.665 -4.293 520 HZ1 LYS 66 3HZ LYS 66 -9.461 4.819 -3.163 521 HZ2 LYS 66 1HZ LYS 66 -10.678 4.160 -2.183 522 HZ3 LYS 66 2HZ LYS 66 -11.020 5.493 -3.179 523 H TYR 67 H TYR 67 -5.756 -0.715 -4.992 524 HA TYR 67 HA TYR 67 -4.328 1.308 -6.566 525 HB2 TYR 67 1HB TYR 67 -3.337 -0.924 -6.070 526 HB3 TYR 67 2HB TYR 67 -4.606 -1.699 -7.011 527 HD1 TYR 67 HD2 TYR 67 -4.694 -1.406 -9.509 528 HD2 TYR 67 HD1 TYR 67 -1.529 0.373 -7.180 529 HE1 TYR 67 HE2 TYR 67 -3.387 -0.991 -11.578 530 HE2 TYR 67 HE1 TYR 67 -0.241 0.784 -9.259 531 HH TYR 67 HH TYR 67 -1.598 0.047 -12.448 532 H ASN 68 H ASN 68 -5.360 2.412 -8.081 533 HA ASN 68 HA ASN 68 -7.155 1.081 -9.990 534 HB2 ASN 68 1HB ASN 68 -8.636 1.769 -8.106 535 HB3 ASN 68 2HB ASN 68 -8.110 3.437 -8.308 536 HD21 ASN 68 2HD2 ASN 68 -10.226 4.202 -8.955 537 HD22 ASN 68 1HD2 ASN 68 -10.925 3.768 -10.438 538 H ASP 69 H ASP 69 -7.231 2.086 -11.939 539 HA ASP 69 HA ASP 69 -5.160 3.571 -12.894 540 HB2 ASP 69 1HB ASP 69 -6.884 2.477 -14.302 541 HB3 ASP 69 2HB ASP 69 -8.035 3.734 -13.862 542 H ASP 70 H ASP 70 -7.897 4.798 -11.096 543 HA ASP 70 HA ASP 70 -7.569 7.583 -11.747 544 HB2 ASP 70 1HB ASP 70 -8.955 6.240 -9.396 545 HB3 ASP 70 2HB ASP 70 -9.134 7.932 -9.860 546 H ASN 71 H ASN 71 -6.592 5.554 -8.962 547 HA ASN 71 HA ASN 71 -5.291 7.661 -7.516 548 HB2 ASN 71 1HB ASN 71 -4.865 4.650 -7.398 549 HB3 ASN 71 2HB ASN 71 -4.241 5.812 -6.228 550 HD21 ASN 71 2HD2 ASN 71 -6.519 7.536 -6.017 551 HD22 ASN 71 1HD2 ASN 71 -7.782 6.656 -5.303 552 H VAL 72 H VAL 72 -4.303 5.415 -10.013 553 HA VAL 72 HA VAL 72 -1.475 5.955 -9.920 554 HB VAL 72 HB VAL 72 -3.216 4.951 -12.214 555 HG11 VAL 72 1HG1 VAL 72 -1.063 5.792 -13.089 556 HG12 VAL 72 2HG1 VAL 72 -1.056 4.036 -13.125 557 HG13 VAL 72 3HG1 VAL 72 -0.188 4.890 -11.851 558 HG21 VAL 72 3HG2 VAL 72 -3.281 3.494 -10.200 559 HG22 VAL 72 1HG2 VAL 72 -1.518 3.442 -10.179 560 HG23 VAL 72 2HG2 VAL 72 -2.410 2.706 -11.512 561 H LYS 73 H LYS 73 -4.215 7.250 -11.738 562 HA LYS 73 HA LYS 73 -2.865 9.073 -13.396 563 HB2 LYS 73 1HB LYS 73 -5.264 8.419 -13.580 564 HB3 LYS 73 2HB LYS 73 -5.630 9.389 -12.170 565 HG2 LYS 73 1HG LYS 73 -4.752 11.414 -13.394 566 HG3 LYS 73 2HG LYS 73 -4.556 10.414 -14.829 567 HD2 LYS 73 1HD LYS 73 -7.204 10.881 -13.380 568 HD3 LYS 73 2HD LYS 73 -6.699 11.730 -14.834 569 HE2 LYS 73 1HE LYS 73 -6.523 9.426 -15.975 570 HE3 LYS 73 2HE LYS 73 -7.384 8.775 -14.579 571 HZ1 LYS 73 3HZ LYS 73 -9.287 9.699 -15.213 572 HZ2 LYS 73 1HZ LYS 73 -8.563 9.814 -16.742 573 HZ3 LYS 73 2HZ LYS 73 -8.558 11.155 -15.700 574 H ARG 74 H ARG 74 -4.023 9.422 -10.051 575 HA ARG 74 HA ARG 74 -3.405 12.181 -9.729 576 HB2 ARG 74 1HB ARG 74 -3.574 9.911 -7.709 577 HB3 ARG 74 2HB ARG 74 -3.328 11.592 -7.235 578 HG2 ARG 74 1HG ARG 74 -5.460 12.223 -8.335 579 HG3 ARG 74 2HG ARG 74 -5.708 10.552 -8.827 580 HD2 ARG 74 1HD ARG 74 -7.024 11.013 -6.805 581 HD3 ARG 74 2HD ARG 74 -5.734 9.874 -6.423 582 HE ARG 74 HE ARG 74 -4.794 11.469 -5.025 583 HH11 ARG 74 1HH2 ARG 74 -7.038 13.014 -7.195 584 HH12 ARG 74 2HH2 ARG 74 -6.910 14.561 -6.428 585 HH21 ARG 74 1HH1 ARG 74 -4.647 13.497 -4.032 586 HH22 ARG 74 2HH1 ARG 74 -5.563 14.833 -4.645 587 H ARG 75 H ARG 75 -1.459 9.244 -9.376 588 HA ARG 75 HA ARG 75 0.866 10.527 -8.288 589 HB2 ARG 75 1HB ARG 75 0.474 8.056 -8.158 590 HB3 ARG 75 2HB ARG 75 0.729 7.937 -9.894 591 HG2 ARG 75 1HG ARG 75 3.037 8.807 -9.638 592 HG3 ARG 75 2HG ARG 75 2.783 8.989 -7.904 593 HD2 ARG 75 1HD ARG 75 4.013 6.915 -8.330 594 HD3 ARG 75 2HD ARG 75 2.399 6.519 -7.743 595 HE ARG 75 HE ARG 75 1.938 5.547 -9.800 596 HH11 ARG 75 1HH2 ARG 75 4.693 7.650 -10.092 597 HH12 ARG 75 2HH2 ARG 75 5.039 7.186 -11.726 598 HH21 ARG 75 1HH1 ARG 75 2.396 4.955 -11.937 599 HH22 ARG 75 2HH1 ARG 75 3.742 5.665 -12.765 600 H GLN 76 H GLN 76 -0.297 9.827 -11.537 601 HA GLN 76 HA GLN 76 2.036 10.706 -12.955 602 HB2 GLN 76 1HB GLN 76 -0.871 10.532 -13.843 603 HB3 GLN 76 2HB GLN 76 0.455 10.909 -14.934 604 HG2 GLN 76 1HG GLN 76 0.292 8.344 -13.283 605 HG3 GLN 76 2HG GLN 76 -0.223 8.465 -14.961 606 HE21 GLN 76 2HE2 GLN 76 2.336 7.366 -13.205 607 HE22 GLN 76 1HE2 GLN 76 3.595 7.661 -14.304 608 H GLU 77 H GLU 77 -0.933 12.308 -11.881 609 HA GLU 77 HA GLU 77 -0.427 14.878 -13.022 610 HB2 GLU 77 1HB GLU 77 -1.996 14.038 -10.555 611 HB3 GLU 77 2HB GLU 77 -1.951 15.709 -11.109 612 HG2 GLU 77 1HG GLU 77 -2.935 15.051 -13.269 613 HG3 GLU 77 2HG GLU 77 -2.927 13.367 -12.792 614 H LEU 78 H LEU 78 0.271 13.581 -9.780 615 HA LEU 78 HA LEU 78 1.684 15.806 -8.773 616 HB2 LEU 78 1HB LEU 78 1.788 12.851 -8.112 617 HB3 LEU 78 2HB LEU 78 2.651 14.048 -7.156 618 HG LEU 78 HG LEU 78 -0.377 14.237 -7.610 619 HD11 LEU 78 1HD1 LEU 78 -0.674 13.184 -5.375 620 HD12 LEU 78 2HD1 LEU 78 1.062 12.873 -5.298 621 HD13 LEU 78 3HD1 LEU 78 0.075 12.071 -6.518 622 HD21 LEU 78 3HD2 LEU 78 -0.267 15.584 -5.463 623 HD22 LEU 78 1HD2 LEU 78 0.645 16.330 -6.764 624 HD23 LEU 78 2HD2 LEU 78 1.487 15.442 -5.503 625 H ALA 79 H ALA 79 2.737 12.983 -10.609 626 HA ALA 79 HA ALA 79 5.537 13.414 -10.448 627 HB1 ALA 79 3HB ALA 79 3.977 12.159 -12.730 628 HB2 ALA 79 1HB ALA 79 4.487 11.315 -11.270 629 HB3 ALA 79 2HB ALA 79 5.693 11.939 -12.397 630 H ARG 80 H ARG 80 3.121 14.580 -12.790 631 HA ARG 80 HA ARG 80 4.961 16.038 -14.444 632 HB2 ARG 80 1HB ARG 80 1.948 16.210 -14.035 633 HB3 ARG 80 2HB ARG 80 2.800 17.195 -15.228 634 HG2 ARG 80 1HG ARG 80 3.611 15.167 -16.370 635 HG3 ARG 80 2HG ARG 80 2.847 14.146 -15.159 636 HD2 ARG 80 1HD ARG 80 1.427 14.265 -17.167 637 HD3 ARG 80 2HD ARG 80 0.622 15.056 -15.813 638 HE ARG 80 HE ARG 80 0.776 17.072 -16.949 639 HH11 ARG 80 1HH2 ARG 80 2.987 14.776 -18.336 640 HH12 ARG 80 2HH2 ARG 80 3.443 15.810 -19.649 641 HH21 ARG 80 1HH1 ARG 80 1.386 18.420 -18.664 642 HH22 ARG 80 2HH1 ARG 80 2.538 17.867 -19.834 643 H GLN 81 H GLN 81 2.923 16.873 -11.670 644 HA GLN 81 HA GLN 81 3.318 19.640 -11.622 645 HB2 GLN 81 1HB GLN 81 1.688 18.319 -10.209 646 HB3 GLN 81 2HB GLN 81 3.041 17.793 -9.217 647 HG2 GLN 81 1HG GLN 81 1.962 19.680 -8.105 648 HG3 GLN 81 2HG GLN 81 3.531 20.220 -8.686 649 HE21 GLN 81 2HE2 GLN 81 0.220 19.936 -10.107 650 HE22 GLN 81 1HE2 GLN 81 0.213 21.498 -10.768 651 H CYS 82 H CYS 82 5.273 17.036 -10.210 652 HA CYS 82 HA CYS 82 7.200 18.668 -8.912 653 HB2 CYS 82 1HB CYS 82 7.387 15.821 -9.950 654 HB3 CYS 82 2HB CYS 82 8.564 16.579 -8.873 655 HG CYS 82 HG CYS 82 5.586 16.385 -7.962 656 H GLY 83 H GLY 83 6.833 17.535 -12.207 657 HA2 GLY 83 1HA GLY 83 7.832 18.328 -14.141 658 HA3 GLY 83 2HA GLY 83 8.904 19.339 -13.178 659 H GLU 84 H GLU 84 10.261 18.344 -15.053 660 HA GLU 84 HA GLU 84 11.213 15.632 -14.750 661 HB2 GLU 84 1HB GLU 84 12.323 18.004 -16.296 662 HB3 GLU 84 2HB GLU 84 12.914 16.348 -16.444 663 HG2 GLU 84 1HG GLU 84 10.668 15.607 -17.192 664 HG3 GLU 84 2HG GLU 84 10.066 17.256 -17.037 665 H ARG 85 H ARG 85 11.672 18.329 -12.900 666 HA ARG 85 HA ARG 85 13.186 18.980 -11.295 667 HB2 ARG 85 1HB ARG 85 13.884 16.021 -11.379 668 HB3 ARG 85 2HB ARG 85 14.335 17.133 -10.086 669 HG2 ARG 85 1HG ARG 85 11.942 17.567 -9.609 670 HG3 ARG 85 2HG ARG 85 11.477 16.476 -10.914 671 HD2 ARG 85 1HD ARG 85 11.333 15.301 -8.763 672 HD3 ARG 85 2HD ARG 85 12.634 14.603 -9.730 673 HE ARG 85 HE ARG 85 13.660 16.675 -8.068 674 HH11 ARG 85 1HH2 ARG 85 12.401 13.436 -7.921 675 HH12 ARG 85 2HH2 ARG 85 13.299 13.011 -6.503 676 HH21 ARG 85 1HH1 ARG 85 14.831 16.107 -6.213 677 HH22 ARG 85 2HH1 ARG 85 14.671 14.520 -5.538 Start of MODEL 3 1 H1 MET 1 1H MET 1 -8.560 -24.849 -3.724 2 H2 MET 1 2H MET 1 -8.803 -25.113 -2.063 3 H3 MET 1 3H MET 1 -9.014 -23.560 -2.718 4 HA MET 1 HA MET 1 -10.756 -24.833 -4.216 5 HB2 MET 1 1HB MET 1 -10.614 -26.361 -1.584 6 HB3 MET 1 2HB MET 1 -11.935 -26.503 -2.743 7 HG2 MET 1 1HG MET 1 -10.336 -27.297 -4.469 8 HG3 MET 1 2HG MET 1 -9.020 -27.175 -3.298 9 HE1 MET 1 3HE MET 1 -9.322 -30.975 -3.517 10 HE2 MET 1 1HE MET 1 -8.225 -29.602 -3.324 11 HE3 MET 1 2HE MET 1 -9.268 -29.707 -4.739 12 H ASN 2 H ASN 2 -11.226 -22.585 -3.978 13 HA ASN 2 HA ASN 2 -12.050 -21.368 -1.529 14 HB2 ASN 2 1HB ASN 2 -12.679 -20.593 -4.406 15 HB3 ASN 2 2HB ASN 2 -12.870 -19.551 -2.995 16 HD21 ASN 2 2HD2 ASN 2 -10.410 -20.367 -1.644 17 HD22 ASN 2 1HD2 ASN 2 -9.116 -19.763 -2.561 18 H TYR 3 H TYR 3 -13.938 -21.587 -0.472 19 HA TYR 3 HA TYR 3 -16.037 -23.312 -1.299 20 HB2 TYR 3 1HB TYR 3 -16.057 -21.118 0.814 21 HB3 TYR 3 2HB TYR 3 -17.249 -22.410 0.673 22 HD1 TYR 3 HD1 TYR 3 -16.633 -24.780 1.177 23 HD2 TYR 3 HD2 TYR 3 -13.765 -21.595 1.654 24 HE1 TYR 3 HE1 TYR 3 -15.162 -26.287 2.490 25 HE2 TYR 3 HE2 TYR 3 -12.309 -23.117 2.967 26 HH TYR 3 HH TYR 3 -12.780 -26.477 3.076 27 H SER 4 H SER 4 -15.722 -19.780 -1.345 28 HA SER 4 HA SER 4 -17.580 -19.518 -3.562 29 HB2 SER 4 1HB SER 4 -18.355 -18.382 -0.849 30 HB3 SER 4 2HB SER 4 -19.204 -18.087 -2.366 31 HG SER 4 HG SER 4 -19.343 -20.476 -2.457 32 H THR 5 H THR 5 -17.881 -17.178 -4.123 33 HA THR 5 HA THR 5 -15.371 -15.888 -4.373 34 HB THR 5 HB THR 5 -16.662 -14.022 -5.357 35 HG1 THR 5 HG1 THR 5 -19.082 -15.266 -5.006 36 HG21 THR 5 3HG2 THR 5 -17.849 -15.294 -7.115 37 HG22 THR 5 1HG2 THR 5 -17.806 -16.741 -6.109 38 HG23 THR 5 2HG2 THR 5 -16.305 -16.060 -6.735 39 H GLY 6 H GLY 6 -18.078 -15.383 -2.163 40 HA2 GLY 6 1HA GLY 6 -17.110 -12.982 -0.932 41 HA3 GLY 6 2HA GLY 6 -18.329 -14.069 -0.280 42 H THR 7 H THR 7 -14.924 -13.334 -0.396 43 HA THR 7 HA THR 7 -13.941 -15.511 1.153 44 HB THR 7 HB THR 7 -12.374 -14.172 -0.126 45 HG1 THR 7 HG1 THR 7 -11.296 -14.852 1.580 46 HG21 THR 7 3HG2 THR 7 -13.230 -11.822 1.615 47 HG22 THR 7 1HG2 THR 7 -13.595 -12.018 -0.099 48 HG23 THR 7 2HG2 THR 7 -11.930 -11.800 0.429 49 H ASP 8 H ASP 8 -13.554 -15.709 3.339 50 HA ASP 8 HA ASP 8 -15.398 -14.525 5.137 51 HB2 ASP 8 1HB ASP 8 -14.370 -16.772 5.438 52 HB3 ASP 8 2HB ASP 8 -12.817 -16.010 5.763 53 H ALA 9 H ALA 9 -12.488 -13.341 3.868 54 HA ALA 9 HA ALA 9 -11.447 -11.856 6.049 55 HB1 ALA 9 3HB ALA 9 -11.281 -11.292 3.066 56 HB2 ALA 9 1HB ALA 9 -10.180 -12.321 3.978 57 HB3 ALA 9 2HB ALA 9 -10.240 -10.588 4.304 58 H ASN 10 H ASN 10 -12.774 -10.504 7.167 59 HA ASN 10 HA ASN 10 -14.964 -9.041 6.114 60 HB2 ASN 10 1HB ASN 10 -14.722 -9.588 8.519 61 HB3 ASN 10 2HB ASN 10 -13.333 -8.515 8.627 62 HD21 ASN 10 2HD2 ASN 10 -16.853 -8.621 8.403 63 HD22 ASN 10 1HD2 ASN 10 -17.100 -6.961 8.649 64 H THR 11 H THR 11 -11.559 -8.225 6.595 65 HA THR 11 HA THR 11 -11.739 -5.442 6.049 66 HB THR 11 HB THR 11 -9.294 -5.601 5.648 67 HG1 THR 11 HG1 THR 11 -9.156 -7.503 4.551 68 HG21 THR 11 3HG2 THR 11 -8.671 -6.567 7.845 69 HG22 THR 11 1HG2 THR 11 -10.257 -7.326 7.968 70 HG23 THR 11 2HG2 THR 11 -10.114 -5.567 7.987 71 H LEU 12 H LEU 12 -11.077 -4.327 4.133 72 HA LEU 12 HA LEU 12 -12.124 -5.535 1.666 73 HB2 LEU 12 1HB LEU 12 -11.284 -2.739 2.501 74 HB3 LEU 12 2HB LEU 12 -11.547 -3.105 0.797 75 HG LEU 12 HG LEU 12 -13.868 -3.822 1.295 76 HD11 LEU 12 1HD1 LEU 12 -14.817 -3.290 3.605 77 HD12 LEU 12 2HD1 LEU 12 -13.155 -3.115 4.168 78 HD13 LEU 12 3HD1 LEU 12 -13.722 -4.662 3.539 79 HD21 LEU 12 3HD2 LEU 12 -13.207 -1.070 2.418 80 HD22 LEU 12 1HD2 LEU 12 -14.789 -1.584 1.829 81 HD23 LEU 12 2HD2 LEU 12 -13.432 -1.455 0.710 82 H PHE 13 H PHE 13 -9.203 -5.664 3.158 83 HA PHE 13 HA PHE 13 -7.619 -5.740 0.611 84 HB2 PHE 13 1HB PHE 13 -6.773 -5.139 3.471 85 HB3 PHE 13 2HB PHE 13 -5.659 -5.294 2.112 86 HD1 PHE 13 HD2 PHE 13 -5.647 -3.620 0.268 87 HD2 PHE 13 HD1 PHE 13 -8.285 -3.159 3.649 88 HE1 PHE 13 HE2 PHE 13 -6.094 -1.271 -0.392 89 HE2 PHE 13 HE1 PHE 13 -8.731 -0.813 2.972 90 HZ PHE 13 HZ PHE 13 -7.636 0.129 0.956 91 H VAL 14 H VAL 14 -6.488 -7.525 0.153 92 HA VAL 14 HA VAL 14 -6.364 -9.809 2.065 93 HB VAL 14 HB VAL 14 -6.936 -11.338 0.181 94 HG11 VAL 14 1HG1 VAL 14 -9.059 -9.215 0.742 95 HG12 VAL 14 2HG1 VAL 14 -8.708 -10.606 1.769 96 HG13 VAL 14 3HG1 VAL 14 -9.372 -10.849 0.155 97 HG21 VAL 14 3HG2 VAL 14 -7.555 -8.750 -1.315 98 HG22 VAL 14 1HG2 VAL 14 -8.004 -10.360 -1.873 99 HG23 VAL 14 2HG2 VAL 14 -6.308 -9.923 -1.735 100 H ASP 15 H ASP 15 -4.779 -11.399 1.502 101 HA ASP 15 HA ASP 15 -2.244 -10.304 0.926 102 HB2 ASP 15 1HB ASP 15 -2.610 -12.271 2.375 103 HB3 ASP 15 2HB ASP 15 -3.151 -13.200 0.985 104 H GLY 16 H GLY 16 -0.937 -10.441 -0.855 105 HA2 GLY 16 1HA GLY 16 -0.233 -11.021 -3.008 106 HA3 GLY 16 2HA GLY 16 -1.756 -11.833 -3.307 107 H GLU 17 H GLU 17 -2.933 -9.183 -2.089 108 HA GLU 17 HA GLU 17 -3.569 -7.958 -4.604 109 HB2 GLU 17 1HB GLU 17 -5.110 -8.000 -2.649 110 HB3 GLU 17 2HB GLU 17 -4.028 -6.927 -1.775 111 HG2 GLU 17 1HG GLU 17 -5.857 -5.607 -2.733 112 HG3 GLU 17 2HG GLU 17 -4.377 -5.186 -3.574 113 H ARG 18 H ARG 18 -2.782 -6.147 -5.536 114 HA ARG 18 HA ARG 18 -0.241 -5.018 -4.523 115 HB2 ARG 18 1HB ARG 18 -0.424 -5.777 -6.887 116 HB3 ARG 18 2HB ARG 18 -1.680 -4.572 -7.172 117 HG2 ARG 18 1HG ARG 18 -0.101 -2.741 -6.670 118 HG3 ARG 18 2HG ARG 18 1.153 -3.907 -6.240 119 HD2 ARG 18 1HD ARG 18 -0.113 -3.682 -9.000 120 HD3 ARG 18 2HD ARG 18 1.454 -3.005 -8.548 121 HE ARG 18 HE ARG 18 1.505 -5.721 -7.866 122 HH11 ARG 18 1HH2 ARG 18 1.245 -3.745 -10.720 123 HH12 ARG 18 2HH2 ARG 18 2.018 -4.903 -11.747 124 HH21 ARG 18 1HH1 ARG 18 2.516 -7.221 -9.217 125 HH22 ARG 18 2HH1 ARG 18 2.737 -6.868 -10.896 126 H VAL 19 H VAL 19 -0.199 -3.094 -3.506 127 HA VAL 19 HA VAL 19 -2.378 -1.088 -3.899 128 HB VAL 19 HB VAL 19 -2.466 -0.658 -1.487 129 HG11 VAL 19 1HG1 VAL 19 -3.576 -2.752 -0.770 130 HG12 VAL 19 2HG1 VAL 19 -2.844 -3.613 -2.116 131 HG13 VAL 19 3HG1 VAL 19 -4.022 -2.339 -2.427 132 HG21 VAL 19 3HG2 VAL 19 -1.298 -2.351 0.086 133 HG22 VAL 19 1HG2 VAL 19 -0.223 -1.220 -0.730 134 HG23 VAL 19 2HG2 VAL 19 -0.360 -2.874 -1.313 135 H LEU 20 H LEU 20 -1.784 1.027 -3.005 136 HA LEU 20 HA LEU 20 1.064 1.665 -3.601 137 HB2 LEU 20 1HB LEU 20 -1.375 3.475 -3.522 138 HB3 LEU 20 2HB LEU 20 0.233 3.897 -4.098 139 HG LEU 20 HG LEU 20 -1.621 1.820 -5.351 140 HD11 LEU 20 1HD1 LEU 20 -1.816 3.424 -7.210 141 HD12 LEU 20 2HD1 LEU 20 -0.780 4.562 -6.349 142 HD13 LEU 20 3HD1 LEU 20 -2.363 4.147 -5.699 143 HD21 LEU 20 3HD2 LEU 20 1.217 2.683 -6.077 144 HD22 LEU 20 1HD2 LEU 20 0.137 1.967 -7.277 145 HD23 LEU 20 2HD2 LEU 20 0.587 1.049 -5.855 146 H CYS 21 H CYS 21 2.277 2.859 -2.209 147 HA CYS 21 HA CYS 21 1.191 3.417 0.529 148 HB2 CYS 21 1HB CYS 21 2.684 1.429 0.464 149 HB3 CYS 21 2HB CYS 21 3.981 2.434 -0.183 150 HG CYS 21 HG CYS 21 4.180 3.635 2.055 151 H PHE 22 H PHE 22 1.106 5.554 0.775 152 HA PHE 22 HA PHE 22 3.084 7.337 -0.548 153 HB2 PHE 22 1HB PHE 22 1.517 9.138 0.050 154 HB3 PHE 22 2HB PHE 22 0.705 7.871 -0.864 155 HD1 PHE 22 HD1 PHE 22 1.068 9.428 2.495 156 HD2 PHE 22 HD2 PHE 22 -0.976 6.386 0.218 157 HE1 PHE 22 HE1 PHE 22 -0.584 9.158 4.324 158 HE2 PHE 22 HE2 PHE 22 -2.621 6.129 2.055 159 HZ PHE 22 HZ PHE 22 -2.428 7.515 4.101 160 H HIS 23 H HIS 23 4.108 9.002 0.687 161 HA HIS 23 HA HIS 23 4.083 9.000 3.571 162 HB2 HIS 23 1HB HIS 23 5.397 6.911 3.071 163 HB3 HIS 23 2HB HIS 23 6.581 7.892 2.215 164 HD1 HIS 23 HD1 HIS 23 5.047 7.545 5.685 165 HD2 HIS 23 HD2 HIS 23 8.501 9.036 3.889 166 HE1 HIS 23 HE1 HIS 23 6.590 8.240 7.568 167 HE2 HIS 23 HE2 HIS 23 8.700 9.151 6.490 168 H GLY 24 H GLY 24 4.149 10.638 0.954 169 HA2 GLY 24 1HA GLY 24 5.215 13.018 2.030 170 HA3 GLY 24 2HA GLY 24 6.419 12.318 0.946 171 HA PRO 25 HA PRO 25 3.426 14.995 -1.503 172 HB2 PRO 25 1HB PRO 25 6.012 15.799 -2.854 173 HB3 PRO 25 2HB PRO 25 4.672 16.834 -2.309 174 HG2 PRO 25 1HG PRO 25 6.941 16.789 -0.913 175 HG3 PRO 25 2HG PRO 25 5.381 16.766 -0.055 176 HD2 PRO 25 1HD PRO 25 7.202 14.404 -0.663 177 HD3 PRO 25 2HD PRO 25 6.429 14.845 0.880 178 H LEU 26 H LEU 26 4.918 12.191 -1.954 179 HA LEU 26 HA LEU 26 3.923 11.871 -4.715 180 HB2 LEU 26 1HB LEU 26 6.352 12.513 -4.878 181 HB3 LEU 26 2HB LEU 26 6.732 11.081 -3.942 182 HG LEU 26 HG LEU 26 5.744 9.647 -5.735 183 HD11 LEU 26 1HD1 LEU 26 5.436 10.860 -8.050 184 HD12 LEU 26 2HD1 LEU 26 5.212 12.318 -7.085 185 HD13 LEU 26 3HD1 LEU 26 4.129 10.942 -6.881 186 HD21 LEU 26 3HD2 LEU 26 7.896 11.579 -6.696 187 HD22 LEU 26 1HD2 LEU 26 7.580 9.980 -7.376 188 HD23 LEU 26 2HD2 LEU 26 8.169 10.131 -5.724 189 H ILE 27 H ILE 27 3.179 9.898 -5.171 190 HA ILE 27 HA ILE 27 2.853 7.974 -2.979 191 HB ILE 27 HB ILE 27 1.746 8.027 -5.814 192 HG12 ILE 27 1HG1 ILE 27 0.319 8.764 -3.199 193 HG13 ILE 27 2HG1 ILE 27 1.053 9.968 -4.246 194 HG21 ILE 27 1HG2 ILE 27 0.072 6.380 -4.888 195 HG22 ILE 27 2HG2 ILE 27 0.991 6.328 -3.390 196 HG23 ILE 27 3HG2 ILE 27 1.707 5.734 -4.886 197 HD11 ILE 27 3HD1 ILE 27 -1.143 8.061 -5.059 198 HD12 ILE 27 1HD1 ILE 27 -0.374 9.252 -6.107 199 HD13 ILE 27 2HD1 ILE 27 -1.324 9.783 -4.721 200 H TYR 28 H TYR 28 3.467 5.808 -3.117 201 HA TYR 28 HA TYR 28 5.452 5.032 -5.222 202 HB2 TYR 28 1HB TYR 28 5.708 4.572 -2.225 203 HB3 TYR 28 2HB TYR 28 6.820 3.974 -3.454 204 HD1 TYR 28 HD2 TYR 28 8.235 5.568 -4.785 205 HD2 TYR 28 HD1 TYR 28 5.716 6.969 -1.575 206 HE1 TYR 28 HE2 TYR 28 9.440 7.736 -4.768 207 HE2 TYR 28 HE1 TYR 28 6.936 9.132 -1.575 208 HH TYR 28 HH TYR 28 8.473 10.369 -2.580 209 H GLU 29 H GLU 29 5.743 2.766 -5.463 210 HA GLU 29 HA GLU 29 3.207 1.320 -5.307 211 HB2 GLU 29 1HB GLU 29 4.623 1.351 -7.364 212 HB3 GLU 29 2HB GLU 29 5.873 0.463 -6.500 213 HG2 GLU 29 1HG GLU 29 4.299 -1.423 -6.143 214 HG3 GLU 29 2HG GLU 29 3.025 -0.521 -6.955 215 H ALA 30 H ALA 30 2.790 -0.454 -4.111 216 HA ALA 30 HA ALA 30 4.872 -1.782 -2.497 217 HB1 ALA 30 3HB ALA 30 3.545 -1.494 -0.427 218 HB2 ALA 30 1HB ALA 30 2.387 -0.490 -1.309 219 HB3 ALA 30 2HB ALA 30 4.044 0.067 -1.082 220 H LYS 31 H LYS 31 3.805 -3.661 -1.282 221 HA LYS 31 HA LYS 31 1.464 -4.809 -2.711 222 HB2 LYS 31 1HB LYS 31 3.605 -5.557 -3.846 223 HB3 LYS 31 2HB LYS 31 4.072 -6.339 -2.344 224 HG2 LYS 31 1HG LYS 31 2.020 -7.761 -2.444 225 HG3 LYS 31 2HG LYS 31 1.528 -6.941 -3.919 226 HD2 LYS 31 1HD LYS 31 2.536 -8.932 -4.756 227 HD3 LYS 31 2HD LYS 31 3.830 -7.758 -4.916 228 HE2 LYS 31 1HE LYS 31 4.823 -8.570 -2.785 229 HE3 LYS 31 2HE LYS 31 3.498 -9.720 -2.612 230 HZ1 LYS 31 3HZ LYS 31 5.839 -9.859 -4.255 231 HZ2 LYS 31 1HZ LYS 31 4.416 -10.170 -5.121 232 HZ3 LYS 31 2HZ LYS 31 4.792 -11.097 -3.746 233 H VAL 32 H VAL 32 0.311 -6.305 -1.557 234 HA VAL 32 HA VAL 32 0.704 -6.306 1.362 235 HB VAL 32 HB VAL 32 -1.607 -7.444 -0.289 236 HG11 VAL 32 1HG1 VAL 32 -1.470 -8.267 2.057 237 HG12 VAL 32 2HG1 VAL 32 -2.866 -7.220 1.825 238 HG13 VAL 32 3HG1 VAL 32 -1.424 -6.605 2.638 239 HG21 VAL 32 3HG2 VAL 32 -2.777 -5.311 0.205 240 HG22 VAL 32 1HG2 VAL 32 -1.326 -5.021 -0.744 241 HG23 VAL 32 2HG2 VAL 32 -1.323 -4.686 0.987 242 H LEU 33 H LEU 33 2.064 -7.864 2.069 243 HA LEU 33 HA LEU 33 2.341 -10.434 0.699 244 HB2 LEU 33 1HB LEU 33 4.348 -9.378 1.606 245 HB3 LEU 33 2HB LEU 33 3.648 -9.341 3.218 246 HG LEU 33 HG LEU 33 3.704 -11.823 3.313 247 HD11 LEU 33 1HD1 LEU 33 4.736 -11.594 0.470 248 HD12 LEU 33 2HD1 LEU 33 3.376 -12.541 1.074 249 HD13 LEU 33 3HD1 LEU 33 5.012 -13.038 1.449 250 HD21 LEU 33 3HD2 LEU 33 6.384 -10.696 2.426 251 HD22 LEU 33 1HD2 LEU 33 6.133 -12.129 3.420 252 HD23 LEU 33 2HD2 LEU 33 5.708 -10.542 4.050 253 H LYS 34 H LYS 34 0.887 -9.159 3.630 254 HA LYS 34 HA LYS 34 -0.769 -11.522 3.931 255 HB2 LYS 34 1HB LYS 34 1.341 -12.281 4.995 256 HB3 LYS 34 2HB LYS 34 1.292 -10.897 6.074 257 HG2 LYS 34 1HG LYS 34 -0.780 -11.706 7.120 258 HG3 LYS 34 2HG LYS 34 -0.927 -12.986 5.927 259 HD2 LYS 34 1HD LYS 34 -0.061 -13.905 8.031 260 HD3 LYS 34 2HD LYS 34 1.160 -14.025 6.770 261 HE2 LYS 34 1HE LYS 34 1.948 -13.187 9.102 262 HE3 LYS 34 2HE LYS 34 2.468 -12.254 7.707 263 HZ1 LYS 34 3HZ LYS 34 1.565 -10.917 9.578 264 HZ2 LYS 34 1HZ LYS 34 0.047 -11.625 9.306 265 HZ3 LYS 34 2HZ LYS 34 0.762 -10.661 8.104 266 H THR 35 H THR 35 -2.425 -11.247 5.442 267 HA THR 35 HA THR 35 -2.813 -8.502 6.569 268 HB THR 35 HB THR 35 -5.113 -8.462 5.741 269 HG1 THR 35 HG1 THR 35 -5.754 -10.168 4.313 270 HG21 THR 35 3HG2 THR 35 -3.248 -9.261 3.489 271 HG22 THR 35 1HG2 THR 35 -3.284 -7.658 4.222 272 HG23 THR 35 2HG2 THR 35 -4.692 -8.264 3.348 273 H LYS 36 H LYS 36 -3.925 -8.399 8.448 274 HA LYS 36 HA LYS 36 -4.725 -11.007 9.716 275 HB2 LYS 36 1HB LYS 36 -2.791 -9.900 10.773 276 HB3 LYS 36 2HB LYS 36 -3.778 -8.490 11.080 277 HG2 LYS 36 1HG LYS 36 -5.313 -9.828 12.499 278 HG3 LYS 36 2HG LYS 36 -4.386 -11.283 12.139 279 HD2 LYS 36 1HD LYS 36 -2.410 -10.335 13.251 280 HD3 LYS 36 2HD LYS 36 -3.274 -8.826 13.553 281 HE2 LYS 36 1HE LYS 36 -4.098 -11.543 14.647 282 HE3 LYS 36 2HE LYS 36 -3.267 -10.287 15.567 283 HZ1 LYS 36 3HZ LYS 36 -5.603 -10.146 15.978 284 HZ2 LYS 36 1HZ LYS 36 -5.952 -10.094 14.319 285 HZ3 LYS 36 2HZ LYS 36 -5.141 -8.795 15.058 286 HA PRO 37 HA PRO 37 -8.595 -8.407 9.505 287 HB2 PRO 37 1HB PRO 37 -10.283 -10.093 8.274 288 HB3 PRO 37 2HB PRO 37 -8.964 -9.343 7.341 289 HG2 PRO 37 1HG PRO 37 -8.999 -12.079 8.637 290 HG3 PRO 37 2HG PRO 37 -8.631 -11.669 6.942 291 HD2 PRO 37 1HD PRO 37 -6.638 -11.985 8.802 292 HD3 PRO 37 2HD PRO 37 -6.484 -10.809 7.480 293 H ASP 38 H ASP 38 -7.499 -10.815 11.385 294 HA ASP 38 HA ASP 38 -9.844 -11.952 12.547 295 HB2 ASP 38 1HB ASP 38 -7.577 -12.956 12.726 296 HB3 ASP 38 2HB ASP 38 -7.067 -11.618 13.750 297 H ALA 39 H ALA 39 -8.782 -8.803 12.597 298 HA ALA 39 HA ALA 39 -10.523 -8.124 14.879 299 HB1 ALA 39 3HB ALA 39 -8.301 -8.456 15.906 300 HB2 ALA 39 1HB ALA 39 -8.780 -6.758 15.975 301 HB3 ALA 39 2HB ALA 39 -7.598 -7.304 14.781 302 H THR 40 H THR 40 -11.007 -5.875 15.017 303 HA THR 40 HA THR 40 -10.421 -4.193 12.650 304 HB THR 40 HB THR 40 -12.801 -3.677 12.326 305 HG1 THR 40 HG1 THR 40 -14.273 -5.114 13.469 306 HG21 THR 40 3HG2 THR 40 -11.710 -5.647 11.105 307 HG22 THR 40 1HG2 THR 40 -13.461 -5.777 11.281 308 HG23 THR 40 2HG2 THR 40 -12.403 -6.696 12.342 309 HA PRO 41 HA PRO 41 -9.602 -2.083 12.364 310 HB2 PRO 41 1HB PRO 41 -7.753 -0.594 14.220 311 HB3 PRO 41 2HB PRO 41 -8.535 -0.019 12.730 312 HG2 PRO 41 1HG PRO 41 -9.398 0.869 15.088 313 HG3 PRO 41 2HG PRO 41 -10.581 0.412 13.834 314 HD2 PRO 41 1HD PRO 41 -9.612 -1.294 16.163 315 HD3 PRO 41 2HD PRO 41 -11.295 -0.888 15.715 316 H VAL 42 H VAL 42 -7.106 -2.314 12.001 317 HA VAL 42 HA VAL 42 -5.602 -3.941 13.823 318 HB VAL 42 HB VAL 42 -7.294 -5.605 13.026 319 HG11 VAL 42 1HG1 VAL 42 -7.531 -4.552 10.701 320 HG12 VAL 42 2HG1 VAL 42 -7.447 -6.306 10.713 321 HG13 VAL 42 3HG1 VAL 42 -6.025 -5.362 10.269 322 HG21 VAL 42 3HG2 VAL 42 -4.785 -6.195 13.613 323 HG22 VAL 42 1HG2 VAL 42 -4.613 -6.444 11.880 324 HG23 VAL 42 2HG2 VAL 42 -5.754 -7.407 12.803 325 H GLU 43 H GLU 43 -3.657 -4.970 12.576 326 HA GLU 43 HA GLU 43 -2.487 -2.885 10.851 327 HB2 GLU 43 1HB GLU 43 -0.397 -4.609 11.502 328 HB3 GLU 43 2HB GLU 43 -0.791 -3.164 12.422 329 HG2 GLU 43 1HG GLU 43 -2.205 -4.502 13.945 330 HG3 GLU 43 2HG GLU 43 -1.862 -5.954 13.011 331 H TYR 44 H TYR 44 -1.099 -3.611 9.110 332 HA TYR 44 HA TYR 44 -1.859 -6.173 7.813 333 HB2 TYR 44 1HB TYR 44 -1.844 -3.434 6.474 334 HB3 TYR 44 2HB TYR 44 -2.120 -4.970 5.667 335 HD1 TYR 44 HD2 TYR 44 -3.491 -2.652 8.283 336 HD2 TYR 44 HD1 TYR 44 -4.309 -6.078 5.793 337 HE1 TYR 44 HE2 TYR 44 -5.883 -2.587 8.940 338 HE2 TYR 44 HE1 TYR 44 -6.689 -5.992 6.467 339 HH TYR 44 HH TYR 44 -8.195 -3.557 7.610 340 H TYR 45 H TYR 45 -0.410 -6.915 6.283 341 HA TYR 45 HA TYR 45 2.400 -6.130 6.828 342 HB2 TYR 45 1HB TYR 45 1.274 -8.585 6.847 343 HB3 TYR 45 2HB TYR 45 1.761 -8.557 5.175 344 HD1 TYR 45 HD1 TYR 45 4.326 -7.135 5.115 345 HD2 TYR 45 HD2 TYR 45 2.880 -9.908 8.060 346 HE1 TYR 45 HE1 TYR 45 6.642 -7.695 5.757 347 HE2 TYR 45 HE2 TYR 45 5.210 -10.454 8.687 348 HH TYR 45 HH TYR 45 7.953 -8.840 7.075 349 H ILE 46 H ILE 46 2.851 -4.426 5.608 350 HA ILE 46 HA ILE 46 2.458 -4.529 2.652 351 HB ILE 46 HB ILE 46 3.008 -2.096 4.403 352 HG12 ILE 46 1HG1 ILE 46 0.833 -3.030 5.055 353 HG13 ILE 46 2HG1 ILE 46 0.592 -1.554 4.137 354 HG21 ILE 46 1HG2 ILE 46 3.662 -1.800 2.045 355 HG22 ILE 46 2HG2 ILE 46 2.240 -0.828 2.408 356 HG23 ILE 46 3HG2 ILE 46 2.069 -2.342 1.526 357 HD11 ILE 46 3HD1 ILE 46 -1.015 -3.044 3.272 358 HD12 ILE 46 1HD1 ILE 46 0.092 -4.408 3.283 359 HD13 ILE 46 2HD1 ILE 46 0.268 -3.135 2.076 360 H HIS 47 H HIS 47 4.165 -4.110 1.319 361 HA HIS 47 HA HIS 47 6.929 -4.018 2.477 362 HB2 HIS 47 1HB HIS 47 5.910 -5.555 0.049 363 HB3 HIS 47 2HB HIS 47 7.614 -5.378 0.480 364 HD1 HIS 47 HD1 HIS 47 8.518 -7.142 1.958 365 HD2 HIS 47 HD2 HIS 47 4.389 -6.765 2.367 366 HE1 HIS 47 HE1 HIS 47 7.804 -8.874 3.661 367 HE2 HIS 47 HE2 HIS 47 5.300 -8.651 3.928 368 H TYR 48 H TYR 48 8.120 -2.405 1.805 369 HA TYR 48 HA TYR 48 7.060 -0.497 -0.138 370 HB2 TYR 48 1HB TYR 48 8.496 -0.166 2.197 371 HB3 TYR 48 2HB TYR 48 9.807 -0.067 1.041 372 HD1 TYR 48 HD1 TYR 48 9.705 1.663 -0.841 373 HD2 TYR 48 HD2 TYR 48 6.843 1.650 2.385 374 HE1 TYR 48 HE1 TYR 48 9.006 3.969 -1.435 375 HE2 TYR 48 HE2 TYR 48 6.163 3.957 1.779 376 HH TYR 48 HH TYR 48 6.215 5.360 -0.428 377 H ALA 49 H ALA 49 7.522 -0.550 -2.221 378 HA ALA 49 HA ALA 49 9.243 -2.463 -3.427 379 HB1 ALA 49 3HB ALA 49 8.057 0.081 -4.597 380 HB2 ALA 49 1HB ALA 49 7.264 -1.494 -4.552 381 HB3 ALA 49 2HB ALA 49 8.721 -1.269 -5.521 382 H GLY 50 H GLY 50 11.236 -2.210 -4.449 383 HA2 GLY 50 1HA GLY 50 13.225 -1.181 -5.105 384 HA3 GLY 50 2HA GLY 50 12.736 0.315 -4.320 385 H TRP 51 H TRP 51 12.219 -2.270 -2.242 386 HA TRP 51 HA TRP 51 14.954 -2.283 -1.071 387 HB2 TRP 51 1HB TRP 51 12.433 -1.511 0.461 388 HB3 TRP 51 2HB TRP 51 14.034 -1.749 1.170 389 HD1 TRP 51 HD1 TRP 51 12.006 0.751 -0.854 390 HE1 TRP 51 HE1 TRP 51 13.374 2.921 -1.126 391 HE3 TRP 51 HE3 TRP 51 16.513 -0.799 0.991 392 HZ2 TRP 51 HZ2 TRP 51 16.020 3.875 -0.631 393 HZ3 TRP 51 HZ3 TRP 51 18.442 0.761 1.077 394 HH2 TRP 51 HH2 TRP 51 18.201 3.096 0.268 395 H SER 52 H SER 52 15.219 -3.894 0.582 396 HA SER 52 HA SER 52 14.198 -6.435 -0.190 397 HB2 SER 52 1HB SER 52 15.662 -5.601 2.336 398 HB3 SER 52 2HB SER 52 15.419 -7.264 1.805 399 HG SER 52 HG SER 52 16.424 -6.377 -0.247 400 H LYS 53 H LYS 53 13.150 -7.941 1.378 401 HA LYS 53 HA LYS 53 10.663 -6.781 2.390 402 HB2 LYS 53 1HB LYS 53 11.681 -9.648 2.265 403 HB3 LYS 53 2HB LYS 53 10.063 -9.183 2.783 404 HG2 LYS 53 1HG LYS 53 9.656 -8.122 0.566 405 HG3 LYS 53 2HG LYS 53 11.267 -8.623 0.042 406 HD2 LYS 53 1HD LYS 53 10.629 -11.006 0.370 407 HD3 LYS 53 2HD LYS 53 9.022 -10.502 0.893 408 HE2 LYS 53 1HE LYS 53 8.630 -9.450 -1.324 409 HE3 LYS 53 2HE LYS 53 10.235 -9.970 -1.848 410 HZ1 LYS 53 3HZ LYS 53 7.936 -11.400 -2.085 411 HZ2 LYS 53 1HZ LYS 53 8.683 -12.102 -0.734 412 HZ3 LYS 53 2HZ LYS 53 9.513 -12.023 -2.215 413 H ASN 54 H ASN 54 13.721 -7.397 3.718 414 HA ASN 54 HA ASN 54 13.027 -8.273 6.343 415 HB2 ASN 54 1HB ASN 54 15.449 -6.672 5.431 416 HB3 ASN 54 2HB ASN 54 15.311 -7.575 6.940 417 HD21 ASN 54 2HD2 ASN 54 16.873 -7.875 4.135 418 HD22 ASN 54 1HD2 ASN 54 16.749 -9.545 3.864 419 H TRP 55 H TRP 55 12.671 -5.270 4.755 420 HA TRP 55 HA TRP 55 12.868 -3.474 6.978 421 HB2 TRP 55 1HB TRP 55 11.433 -3.292 4.295 422 HB3 TRP 55 2HB TRP 55 11.499 -1.951 5.438 423 HD1 TRP 55 HD1 TRP 55 14.068 -4.355 3.784 424 HE1 TRP 55 HE1 TRP 55 16.154 -2.982 3.161 425 HE3 TRP 55 HE3 TRP 55 12.657 0.239 5.523 426 HZ2 TRP 55 HZ2 TRP 55 17.103 -0.296 3.364 427 HZ3 TRP 55 HZ3 TRP 55 14.172 2.188 5.294 428 HH2 TRP 55 HH2 TRP 55 16.392 1.927 4.216 429 H ASP 56 H ASP 56 10.321 -5.482 5.676 430 HA ASP 56 HA ASP 56 8.116 -5.804 6.251 431 HB2 ASP 56 1HB ASP 56 7.860 -6.548 8.589 432 HB3 ASP 56 2HB ASP 56 9.351 -7.169 7.878 433 H GLU 57 H GLU 57 7.466 -3.620 5.535 434 HA GLU 57 HA GLU 57 7.080 -1.552 7.524 435 HB2 GLU 57 1HB GLU 57 7.538 -1.107 5.100 436 HB3 GLU 57 2HB GLU 57 5.961 -1.769 4.705 437 HG2 GLU 57 1HG GLU 57 5.784 0.666 4.779 438 HG3 GLU 57 2HG GLU 57 4.901 0.011 6.148 439 H TRP 58 H TRP 58 5.781 -2.439 9.123 440 HA TRP 58 HA TRP 58 3.103 -3.514 8.494 441 HB2 TRP 58 1HB TRP 58 4.864 -3.326 10.964 442 HB3 TRP 58 2HB TRP 58 3.129 -3.494 11.203 443 HD1 TRP 58 HD1 TRP 58 5.684 -5.250 8.848 444 HE1 TRP 58 HE1 TRP 58 5.270 -7.794 8.993 445 HE3 TRP 58 HE3 TRP 58 1.843 -5.336 12.208 446 HZ2 TRP 58 HZ2 TRP 58 3.532 -9.633 10.362 447 HZ3 TRP 58 HZ3 TRP 58 0.820 -7.482 12.902 448 HH2 TRP 58 HH2 TRP 58 1.659 -9.624 11.988 449 H VAL 59 H VAL 59 1.437 -2.120 8.242 450 HA VAL 59 HA VAL 59 1.233 0.278 9.976 451 HB VAL 59 HB VAL 59 0.677 1.674 7.860 452 HG11 VAL 59 1HG1 VAL 59 3.020 2.215 7.374 453 HG12 VAL 59 2HG1 VAL 59 3.550 0.724 8.135 454 HG13 VAL 59 3HG1 VAL 59 2.798 1.986 9.109 455 HG21 VAL 59 3HG2 VAL 59 1.601 0.884 5.725 456 HG22 VAL 59 1HG2 VAL 59 0.412 -0.274 6.327 457 HG23 VAL 59 2HG2 VAL 59 2.136 -0.613 6.482 458 HA PRO 60 HA PRO 60 -3.108 -0.740 9.897 459 HB2 PRO 60 1HB PRO 60 -4.313 1.630 10.531 460 HB3 PRO 60 2HB PRO 60 -3.278 0.785 11.706 461 HG2 PRO 60 1HG PRO 60 -2.501 3.001 9.796 462 HG3 PRO 60 2HG PRO 60 -2.273 2.944 11.564 463 HD2 PRO 60 1HD PRO 60 -0.239 2.251 9.953 464 HD3 PRO 60 2HD PRO 60 -0.553 1.286 11.406 465 H GLU 61 H GLU 61 -5.136 -0.335 8.776 466 HA GLU 61 HA GLU 61 -4.945 -0.170 6.017 467 HB2 GLU 61 1HB GLU 61 -6.876 -1.107 7.282 468 HB3 GLU 61 2HB GLU 61 -7.389 0.522 7.695 469 HG2 GLU 61 1HG GLU 61 -7.710 1.035 5.285 470 HG3 GLU 61 2HG GLU 61 -7.137 -0.575 4.862 471 H ASN 62 H ASN 62 -5.124 2.414 8.310 472 HA ASN 62 HA ASN 62 -6.142 4.509 6.740 473 HB2 ASN 62 1HB ASN 62 -4.024 4.712 8.909 474 HB3 ASN 62 2HB ASN 62 -5.043 6.025 8.325 475 HD21 ASN 62 2HD2 ASN 62 -4.848 4.533 11.053 476 HD22 ASN 62 1HD2 ASN 62 -6.464 4.139 11.394 477 H ARG 63 H ARG 63 -2.798 3.291 6.967 478 HA ARG 63 HA ARG 63 -1.799 5.334 5.110 479 HB2 ARG 63 1HB ARG 63 -0.531 4.202 7.153 480 HB3 ARG 63 2HB ARG 63 -0.205 2.917 6.010 481 HG2 ARG 63 1HG ARG 63 1.706 4.254 5.623 482 HG3 ARG 63 2HG ARG 63 0.628 4.964 4.432 483 HD2 ARG 63 1HD ARG 63 1.705 6.749 5.702 484 HD3 ARG 63 2HD ARG 63 -0.005 6.711 6.138 485 HE ARG 63 HE ARG 63 1.550 5.059 7.887 486 HH11 ARG 63 1HH2 ARG 63 0.715 8.375 7.224 487 HH12 ARG 63 2HH2 ARG 63 1.050 8.909 8.836 488 HH21 ARG 63 1HH1 ARG 63 1.980 5.777 9.980 489 HH22 ARG 63 2HH1 ARG 63 1.765 7.446 10.389 490 H VAL 64 H VAL 64 -3.504 2.501 4.712 491 HA VAL 64 HA VAL 64 -2.092 1.609 2.258 492 HB VAL 64 HB VAL 64 -4.521 0.394 3.644 493 HG11 VAL 64 1HG1 VAL 64 -2.639 -0.705 1.507 494 HG12 VAL 64 2HG1 VAL 64 -4.321 -0.251 1.248 495 HG13 VAL 64 3HG1 VAL 64 -3.931 -1.616 2.285 496 HG21 VAL 64 3HG2 VAL 64 -2.515 0.357 5.110 497 HG22 VAL 64 1HG2 VAL 64 -1.567 -0.355 3.806 498 HG23 VAL 64 2HG2 VAL 64 -2.890 -1.262 4.539 499 H LEU 65 H LEU 65 -2.739 2.253 0.314 500 HA LEU 65 HA LEU 65 -5.435 3.491 -0.037 501 HB2 LEU 65 1HB LEU 65 -3.527 5.036 -0.376 502 HB3 LEU 65 2HB LEU 65 -2.896 3.979 -1.627 503 HG LEU 65 HG LEU 65 -4.958 4.365 -2.991 504 HD11 LEU 65 1HD1 LEU 65 -5.813 6.065 -0.621 505 HD12 LEU 65 2HD1 LEU 65 -6.734 4.841 -1.495 506 HD13 LEU 65 3HD1 LEU 65 -6.437 6.396 -2.241 507 HD21 LEU 65 3HD2 LEU 65 -2.975 5.819 -3.303 508 HD22 LEU 65 1HD2 LEU 65 -3.601 6.932 -2.084 509 HD23 LEU 65 2HD2 LEU 65 -4.464 6.710 -3.606 510 H LYS 66 H LYS 66 -6.791 2.623 -1.469 511 HA LYS 66 HA LYS 66 -6.315 0.054 -2.596 512 HB2 LYS 66 1HB LYS 66 -8.529 0.452 -3.736 513 HB3 LYS 66 2HB LYS 66 -8.573 0.711 -1.998 514 HG2 LYS 66 1HG LYS 66 -8.413 3.138 -2.291 515 HG3 LYS 66 2HG LYS 66 -8.243 2.967 -4.033 516 HD2 LYS 66 1HD LYS 66 -10.716 1.807 -2.657 517 HD3 LYS 66 2HD LYS 66 -10.646 3.533 -2.993 518 HE2 LYS 66 1HE LYS 66 -10.309 1.364 -5.103 519 HE3 LYS 66 2HE LYS 66 -11.780 2.287 -4.824 520 HZ1 LYS 66 3HZ LYS 66 -10.662 3.387 -6.536 521 HZ2 LYS 66 1HZ LYS 66 -9.157 3.280 -5.760 522 HZ3 LYS 66 2HZ LYS 66 -10.355 4.319 -5.150 523 H TYR 67 H TYR 67 -5.930 -0.581 -4.705 524 HA TYR 67 HA TYR 67 -4.533 1.359 -6.400 525 HB2 TYR 67 1HB TYR 67 -3.664 -0.960 -6.024 526 HB3 TYR 67 2HB TYR 67 -5.071 -1.614 -6.848 527 HD1 TYR 67 HD1 TYR 67 -5.365 -1.291 -9.319 528 HD2 TYR 67 HD2 TYR 67 -1.895 0.263 -7.283 529 HE1 TYR 67 HE1 TYR 67 -4.244 -0.902 -11.502 530 HE2 TYR 67 HE2 TYR 67 -0.788 0.640 -9.472 531 HH TYR 67 HH TYR 67 -1.285 -0.653 -12.038 532 H ASN 68 H ASN 68 -5.576 2.518 -7.878 533 HA ASN 68 HA ASN 68 -7.673 1.348 -9.553 534 HB2 ASN 68 1HB ASN 68 -8.870 2.187 -7.504 535 HB3 ASN 68 2HB ASN 68 -8.276 3.806 -7.855 536 HD21 ASN 68 2HD2 ASN 68 -10.928 1.802 -8.334 537 HD22 ASN 68 1HD2 ASN 68 -11.592 2.563 -9.697 538 H ASP 69 H ASP 69 -8.067 2.516 -11.434 539 HA ASP 69 HA ASP 69 -5.923 3.757 -12.656 540 HB2 ASP 69 1HB ASP 69 -8.852 4.264 -13.279 541 HB3 ASP 69 2HB ASP 69 -7.495 4.479 -14.389 542 H ASP 70 H ASP 70 -8.395 5.263 -10.637 543 HA ASP 70 HA ASP 70 -7.732 7.983 -11.323 544 HB2 ASP 70 1HB ASP 70 -9.120 8.576 -9.356 545 HB3 ASP 70 2HB ASP 70 -9.944 7.423 -10.403 546 H ASN 71 H ASN 71 -6.785 5.773 -8.694 547 HA ASN 71 HA ASN 71 -5.205 7.677 -7.254 548 HB2 ASN 71 1HB ASN 71 -5.023 4.638 -7.343 549 HB3 ASN 71 2HB ASN 71 -4.198 5.672 -6.178 550 HD21 ASN 71 2HD2 ASN 71 -6.742 3.674 -6.203 551 HD22 ASN 71 1HD2 ASN 71 -7.811 4.506 -5.181 552 H VAL 72 H VAL 72 -4.566 5.440 -9.900 553 HA VAL 72 HA VAL 72 -1.719 5.841 -10.029 554 HB VAL 72 HB VAL 72 -3.704 4.963 -12.179 555 HG11 VAL 72 1HG1 VAL 72 -1.650 5.792 -13.276 556 HG12 VAL 72 2HG1 VAL 72 -1.668 4.038 -13.354 557 HG13 VAL 72 3HG1 VAL 72 -0.652 4.852 -12.164 558 HG21 VAL 72 3HG2 VAL 72 -1.808 3.348 -10.419 559 HG22 VAL 72 1HG2 VAL 72 -2.886 2.683 -11.646 560 HG23 VAL 72 2HG2 VAL 72 -3.551 3.442 -10.203 561 H LYS 73 H LYS 73 -4.498 7.287 -11.698 562 HA LYS 73 HA LYS 73 -3.193 9.094 -13.371 563 HB2 LYS 73 1HB LYS 73 -5.633 8.597 -13.394 564 HB3 LYS 73 2HB LYS 73 -5.823 9.509 -11.905 565 HG2 LYS 73 1HG LYS 73 -5.025 11.569 -13.048 566 HG3 LYS 73 2HG LYS 73 -4.822 10.648 -14.540 567 HD2 LYS 73 1HD LYS 73 -7.262 10.125 -14.538 568 HD3 LYS 73 2HD LYS 73 -7.453 11.064 -13.056 569 HE2 LYS 73 1HE LYS 73 -6.504 12.151 -15.737 570 HE3 LYS 73 2HE LYS 73 -8.094 12.416 -15.018 571 HZ1 LYS 73 3HZ LYS 73 -6.723 14.292 -14.558 572 HZ2 LYS 73 1HZ LYS 73 -5.477 13.319 -13.942 573 HZ3 LYS 73 2HZ LYS 73 -6.950 13.447 -13.101 574 H ARG 74 H ARG 74 -4.063 9.423 -9.946 575 HA ARG 74 HA ARG 74 -3.217 12.138 -9.621 576 HB2 ARG 74 1HB ARG 74 -3.573 9.853 -7.642 577 HB3 ARG 74 2HB ARG 74 -3.111 11.479 -7.132 578 HG2 ARG 74 1HG ARG 74 -5.178 12.407 -8.105 579 HG3 ARG 74 2HG ARG 74 -5.643 10.818 -8.696 580 HD2 ARG 74 1HD ARG 74 -6.844 11.310 -6.606 581 HD3 ARG 74 2HD ARG 74 -5.716 9.980 -6.350 582 HE ARG 74 HE ARG 74 -4.550 11.317 -4.860 583 HH11 ARG 74 1HH2 ARG 74 -6.574 13.322 -6.864 584 HH12 ARG 74 2HH2 ARG 74 -6.186 14.782 -6.020 585 HH21 ARG 74 1HH1 ARG 74 -4.062 13.232 -3.758 586 HH22 ARG 74 2HH1 ARG 74 -4.763 14.730 -4.263 587 H ARG 75 H ARG 75 -1.542 9.033 -9.429 588 HA ARG 75 HA ARG 75 0.921 10.076 -8.376 589 HB2 ARG 75 1HB ARG 75 0.310 7.662 -8.247 590 HB3 ARG 75 2HB ARG 75 0.474 7.532 -9.990 591 HG2 ARG 75 1HG ARG 75 2.869 8.171 -9.831 592 HG3 ARG 75 2HG ARG 75 2.706 8.343 -8.085 593 HD2 ARG 75 1HD ARG 75 2.070 5.925 -7.942 594 HD3 ARG 75 2HD ARG 75 2.345 5.769 -9.677 595 HE ARG 75 HE ARG 75 4.345 5.821 -7.607 596 HH11 ARG 75 1HH2 ARG 75 3.711 6.712 -10.906 597 HH12 ARG 75 2HH2 ARG 75 5.378 6.700 -11.371 598 HH21 ARG 75 1HH1 ARG 75 6.533 5.792 -8.232 599 HH22 ARG 75 2HH1 ARG 75 6.971 6.181 -9.861 600 H GLN 76 H GLN 76 -0.416 9.561 -11.595 601 HA GLN 76 HA GLN 76 1.938 10.226 -13.091 602 HB2 GLN 76 1HB GLN 76 -1.008 10.369 -13.839 603 HB3 GLN 76 2HB GLN 76 0.295 10.645 -14.988 604 HG2 GLN 76 1HG GLN 76 -0.060 8.059 -13.402 605 HG3 GLN 76 2HG GLN 76 -0.630 8.287 -15.050 606 HE21 GLN 76 2HE2 GLN 76 1.817 6.782 -13.518 607 HE22 GLN 76 1HE2 GLN 76 3.070 7.005 -14.639 608 H GLU 77 H GLU 77 -0.738 12.106 -11.759 609 HA GLU 77 HA GLU 77 0.004 14.644 -12.900 610 HB2 GLU 77 1HB GLU 77 -1.611 13.926 -10.417 611 HB3 GLU 77 2HB GLU 77 -1.371 15.594 -10.932 612 HG2 GLU 77 1HG GLU 77 -2.500 15.148 -13.062 613 HG3 GLU 77 2HG GLU 77 -2.648 13.447 -12.674 614 H LEU 78 H LEU 78 0.476 13.274 -9.644 615 HA LEU 78 HA LEU 78 2.169 15.255 -8.608 616 HB2 LEU 78 1HB LEU 78 2.007 12.286 -8.006 617 HB3 LEU 78 2HB LEU 78 2.946 13.398 -7.023 618 HG LEU 78 HG LEU 78 -0.043 13.875 -7.502 619 HD11 LEU 78 1HD1 LEU 78 0.151 11.625 -6.536 620 HD12 LEU 78 2HD1 LEU 78 -0.504 12.734 -5.339 621 HD13 LEU 78 3HD1 LEU 78 1.191 12.239 -5.255 622 HD21 LEU 78 3HD2 LEU 78 0.142 15.101 -5.306 623 HD22 LEU 78 1HD2 LEU 78 1.206 15.785 -6.526 624 HD23 LEU 78 2HD2 LEU 78 1.866 14.739 -5.279 625 H ALA 79 H ALA 79 2.906 12.399 -10.557 626 HA ALA 79 HA ALA 79 5.734 12.492 -10.353 627 HB1 ALA 79 3HB ALA 79 4.028 11.466 -12.646 628 HB2 ALA 79 1HB ALA 79 4.550 10.525 -11.246 629 HB3 ALA 79 2HB ALA 79 5.742 11.111 -12.405 630 H ARG 80 H ARG 80 3.435 13.924 -12.592 631 HA ARG 80 HA ARG 80 5.348 15.169 -14.307 632 HB2 ARG 80 1HB ARG 80 3.014 14.622 -14.947 633 HB3 ARG 80 2HB ARG 80 2.421 15.835 -13.814 634 HG2 ARG 80 1HG ARG 80 3.654 17.598 -15.074 635 HG3 ARG 80 2HG ARG 80 4.238 16.377 -16.200 636 HD2 ARG 80 1HD ARG 80 1.872 15.834 -16.788 637 HD3 ARG 80 2HD ARG 80 1.334 17.140 -15.732 638 HE ARG 80 HE ARG 80 2.411 17.409 -18.386 639 HH11 ARG 80 1HH2 ARG 80 2.194 18.962 -15.282 640 HH12 ARG 80 2HH2 ARG 80 2.536 20.542 -15.901 641 HH21 ARG 80 1HH1 ARG 80 2.854 19.476 -19.187 642 HH22 ARG 80 2HH1 ARG 80 2.911 20.832 -18.111 643 H GLN 81 H GLN 81 3.533 16.180 -11.443 644 HA GLN 81 HA GLN 81 4.193 18.917 -11.453 645 HB2 GLN 81 1HB GLN 81 2.451 17.818 -10.020 646 HB3 GLN 81 2HB GLN 81 3.736 17.124 -9.036 647 HG2 GLN 81 1HG GLN 81 4.533 19.414 -8.468 648 HG3 GLN 81 2HG GLN 81 3.248 20.101 -9.459 649 HE21 GLN 81 2HE2 GLN 81 1.487 20.745 -8.206 650 HE22 GLN 81 1HE2 GLN 81 0.986 19.995 -6.768 651 H CYS 82 H CYS 82 5.761 16.241 -9.653 652 HA CYS 82 HA CYS 82 7.941 17.779 -8.683 653 HB2 CYS 82 1HB CYS 82 8.916 15.642 -8.040 654 HB3 CYS 82 2HB CYS 82 7.185 15.583 -7.726 655 HG CYS 82 HG CYS 82 7.116 13.610 -9.205 656 H GLY 83 H GLY 83 7.352 16.106 -11.691 657 HA2 GLY 83 1HA GLY 83 8.448 16.234 -13.711 658 HA3 GLY 83 2HA GLY 83 9.614 17.344 -12.997 659 H GLU 84 H GLU 84 10.401 15.350 -14.747 660 HA GLU 84 HA GLU 84 11.246 12.932 -13.531 661 HB2 GLU 84 1HB GLU 84 11.087 13.334 -15.992 662 HB3 GLU 84 2HB GLU 84 12.494 14.387 -15.896 663 HG2 GLU 84 1HG GLU 84 13.866 12.484 -15.073 664 HG3 GLU 84 2HG GLU 84 12.450 11.439 -15.128 665 H ARG 85 H ARG 85 12.784 16.082 -13.882 666 HA ARG 85 HA ARG 85 15.354 15.389 -12.876 667 HB2 ARG 85 1HB ARG 85 13.897 18.062 -12.845 668 HB3 ARG 85 2HB ARG 85 15.629 17.839 -12.580 669 HG2 ARG 85 1HG ARG 85 15.860 16.888 -14.864 670 HG3 ARG 85 2HG ARG 85 14.127 17.092 -15.129 671 HD2 ARG 85 1HD ARG 85 15.344 18.962 -16.157 672 HD3 ARG 85 2HD ARG 85 14.394 19.558 -14.794 673 HE ARG 85 HE ARG 85 16.998 18.854 -13.904 674 HH11 ARG 85 1HH2 ARG 85 15.358 21.232 -15.839 675 HH12 ARG 85 2HH2 ARG 85 16.511 22.480 -15.513 676 HH21 ARG 85 1HH1 ARG 85 18.497 20.487 -13.486 677 HH22 ARG 85 2HH1 ARG 85 18.288 22.058 -14.179 Start of MODEL 4 1 H1 MET 1 1H MET 1 -24.499 -18.496 0.015 2 H2 MET 1 2H MET 1 -25.969 -17.653 -0.093 3 H3 MET 1 3H MET 1 -25.569 -18.821 -1.260 4 HA MET 1 HA MET 1 -26.428 -19.194 1.533 5 HB2 MET 1 1HB MET 1 -27.179 -20.528 -1.105 6 HB3 MET 1 2HB MET 1 -27.918 -20.869 0.462 7 HG2 MET 1 1HG MET 1 -29.421 -19.323 -0.620 8 HG3 MET 1 2HG MET 1 -28.538 -18.342 0.546 9 HE1 MET 1 3HE MET 1 -29.111 -15.933 -2.444 10 HE2 MET 1 1HE MET 1 -29.328 -16.228 -0.713 11 HE3 MET 1 2HE MET 1 -30.182 -17.219 -1.893 12 H ASN 2 H ASN 2 -23.673 -19.649 0.142 13 HA ASN 2 HA ASN 2 -23.253 -22.516 0.270 14 HB2 ASN 2 1HB ASN 2 -21.958 -21.003 -1.229 15 HB3 ASN 2 2HB ASN 2 -21.230 -20.239 0.180 16 HD21 ASN 2 2HD2 ASN 2 -19.162 -21.072 0.553 17 HD22 ASN 2 1HD2 ASN 2 -18.692 -22.681 0.279 18 H TYR 3 H TYR 3 -23.956 -23.025 2.404 19 HA TYR 3 HA TYR 3 -23.751 -23.381 4.671 20 HB2 TYR 3 1HB TYR 3 -20.802 -22.965 4.041 21 HB3 TYR 3 2HB TYR 3 -21.442 -23.760 5.480 22 HD1 TYR 3 HD2 TYR 3 -22.686 -25.947 5.288 23 HD2 TYR 3 HD1 TYR 3 -20.750 -24.156 1.871 24 HE1 TYR 3 HE2 TYR 3 -22.838 -28.097 4.060 25 HE2 TYR 3 HE1 TYR 3 -20.913 -26.315 0.662 26 HH TYR 3 HH TYR 3 -21.136 -28.996 1.704 27 H SER 4 H SER 4 -22.217 -22.407 6.667 28 HA SER 4 HA SER 4 -23.290 -19.817 7.159 29 HB2 SER 4 1HB SER 4 -21.055 -21.300 8.580 30 HB3 SER 4 2HB SER 4 -21.888 -19.881 9.207 31 HG SER 4 HG SER 4 -22.724 -22.511 8.989 32 H THR 5 H THR 5 -22.272 -17.809 7.249 33 HA THR 5 HA THR 5 -20.328 -17.242 5.248 34 HB THR 5 HB THR 5 -20.411 -14.940 6.117 35 HG1 THR 5 HG1 THR 5 -20.413 -15.459 8.317 36 HG21 THR 5 3HG2 THR 5 -23.148 -16.275 6.202 37 HG22 THR 5 1HG2 THR 5 -22.322 -15.742 4.736 38 HG23 THR 5 2HG2 THR 5 -22.842 -14.558 5.935 39 H GLY 6 H GLY 6 -18.162 -16.850 5.392 40 HA2 GLY 6 1HA GLY 6 -16.651 -16.356 7.724 41 HA3 GLY 6 2HA GLY 6 -16.615 -18.090 7.412 42 H THR 7 H THR 7 -16.886 -17.418 4.446 43 HA THR 7 HA THR 7 -14.126 -17.560 3.761 44 HB THR 7 HB THR 7 -15.778 -18.496 2.236 45 HG1 THR 7 HG1 THR 7 -15.073 -16.296 0.736 46 HG21 THR 7 3HG2 THR 7 -17.396 -17.072 1.033 47 HG22 THR 7 1HG2 THR 7 -16.852 -15.664 1.938 48 HG23 THR 7 2HG2 THR 7 -17.670 -16.981 2.771 49 H ASP 8 H ASP 8 -16.358 -14.940 4.206 50 HA ASP 8 HA ASP 8 -15.018 -12.886 2.804 51 HB2 ASP 8 1HB ASP 8 -16.781 -12.718 5.278 52 HB3 ASP 8 2HB ASP 8 -16.356 -11.361 4.235 53 H ALA 9 H ALA 9 -12.976 -12.269 3.157 54 HA ALA 9 HA ALA 9 -11.541 -12.686 5.613 55 HB1 ALA 9 3HB ALA 9 -10.451 -12.681 3.391 56 HB2 ALA 9 1HB ALA 9 -9.724 -11.477 4.457 57 HB3 ALA 9 2HB ALA 9 -10.854 -10.976 3.193 58 H ASN 10 H ASN 10 -14.005 -10.708 5.273 59 HA ASN 10 HA ASN 10 -14.754 -8.786 6.232 60 HB2 ASN 10 1HB ASN 10 -12.311 -9.038 8.026 61 HB3 ASN 10 2HB ASN 10 -13.753 -8.091 8.358 62 HD21 ASN 10 2HD2 ASN 10 -12.359 -10.908 9.282 63 HD22 ASN 10 1HD2 ASN 10 -13.744 -11.845 9.582 64 H THR 11 H THR 11 -11.253 -8.244 6.585 65 HA THR 11 HA THR 11 -11.321 -5.547 5.757 66 HB THR 11 HB THR 11 -8.856 -5.769 5.538 67 HG1 THR 11 HG1 THR 11 -8.397 -7.689 4.768 68 HG21 THR 11 3HG2 THR 11 -9.822 -5.487 7.795 69 HG22 THR 11 1HG2 THR 11 -8.405 -6.535 7.854 70 HG23 THR 11 2HG2 THR 11 -10.019 -7.236 7.942 71 H LEU 12 H LEU 12 -10.882 -4.562 3.815 72 HA LEU 12 HA LEU 12 -11.550 -6.058 1.415 73 HB2 LEU 12 1HB LEU 12 -12.208 -3.574 2.087 74 HB3 LEU 12 2HB LEU 12 -10.635 -3.156 1.426 75 HG LEU 12 HG LEU 12 -11.486 -4.587 -0.705 76 HD11 LEU 12 1HD1 LEU 12 -13.592 -5.374 0.377 77 HD12 LEU 12 2HD1 LEU 12 -13.922 -4.434 -1.072 78 HD13 LEU 12 3HD1 LEU 12 -14.134 -3.707 0.519 79 HD21 LEU 12 3HD2 LEU 12 -12.445 -2.526 -1.717 80 HD22 LEU 12 1HD2 LEU 12 -10.974 -2.179 -0.809 81 HD23 LEU 12 2HD2 LEU 12 -12.547 -1.799 -0.110 82 H PHE 13 H PHE 13 -8.733 -5.762 3.077 83 HA PHE 13 HA PHE 13 -6.929 -5.606 0.714 84 HB2 PHE 13 1HB PHE 13 -6.294 -5.658 3.698 85 HB3 PHE 13 2HB PHE 13 -5.148 -5.363 2.386 86 HD1 PHE 13 HD1 PHE 13 -5.514 -3.353 0.828 87 HD2 PHE 13 HD2 PHE 13 -7.676 -3.814 4.539 88 HE1 PHE 13 HE1 PHE 13 -6.132 -0.954 0.785 89 HE2 PHE 13 HE2 PHE 13 -8.274 -1.414 4.478 90 HZ PHE 13 HZ PHE 13 -7.500 0.018 2.607 91 H VAL 14 H VAL 14 -6.566 -7.490 -0.243 92 HA VAL 14 HA VAL 14 -6.500 -10.041 1.301 93 HB VAL 14 HB VAL 14 -6.646 -9.589 -1.713 94 HG11 VAL 14 1HG1 VAL 14 -7.079 -12.080 -0.001 95 HG12 VAL 14 2HG1 VAL 14 -5.726 -11.812 -1.098 96 HG13 VAL 14 3HG1 VAL 14 -7.352 -11.989 -1.741 97 HG21 VAL 14 3HG2 VAL 14 -9.052 -10.187 -1.457 98 HG22 VAL 14 1HG2 VAL 14 -8.668 -8.708 -0.583 99 HG23 VAL 14 2HG2 VAL 14 -8.853 -10.226 0.295 100 H ASP 15 H ASP 15 -4.705 -11.334 1.299 101 HA ASP 15 HA ASP 15 -2.151 -10.181 1.038 102 HB2 ASP 15 1HB ASP 15 -1.309 -12.493 1.398 103 HB3 ASP 15 2HB ASP 15 -2.591 -12.076 2.531 104 H GLY 16 H GLY 16 -0.631 -10.216 -0.536 105 HA2 GLY 16 1HA GLY 16 0.454 -10.752 -2.530 106 HA3 GLY 16 2HA GLY 16 -0.857 -11.839 -2.966 107 H GLU 17 H GLU 17 -2.227 -9.006 -1.972 108 HA GLU 17 HA GLU 17 -2.879 -8.166 -4.698 109 HB2 GLU 17 1HB GLU 17 -4.593 -8.289 -2.875 110 HB3 GLU 17 2HB GLU 17 -3.772 -6.976 -2.037 111 HG2 GLU 17 1HG GLU 17 -4.181 -5.466 -3.956 112 HG3 GLU 17 2HG GLU 17 -4.933 -6.782 -4.849 113 H ARG 18 H ARG 18 -2.113 -6.401 -5.716 114 HA ARG 18 HA ARG 18 0.152 -4.934 -4.612 115 HB2 ARG 18 1HB ARG 18 0.138 -5.657 -6.960 116 HB3 ARG 18 2HB ARG 18 -1.308 -4.702 -7.266 117 HG2 ARG 18 1HG ARG 18 -0.137 -2.614 -6.989 118 HG3 ARG 18 2HG ARG 18 1.246 -3.388 -6.212 119 HD2 ARG 18 1HD ARG 18 1.531 -2.684 -8.726 120 HD3 ARG 18 2HD ARG 18 2.057 -4.299 -8.265 121 HE ARG 18 HE ARG 18 0.461 -5.154 -9.683 122 HH11 ARG 18 1HH2 ARG 18 -0.437 -1.924 -8.792 123 HH12 ARG 18 2HH2 ARG 18 -1.870 -1.917 -9.768 124 HH21 ARG 18 1HH1 ARG 18 -1.413 -5.144 -10.936 125 HH22 ARG 18 2HH1 ARG 18 -2.424 -3.736 -10.975 126 H VAL 19 H VAL 19 0.028 -3.049 -3.573 127 HA VAL 19 HA VAL 19 -2.362 -1.276 -3.847 128 HB VAL 19 HB VAL 19 -2.316 -0.872 -1.402 129 HG11 VAL 19 1HG1 VAL 19 -3.200 -3.086 -0.685 130 HG12 VAL 19 2HG1 VAL 19 -2.527 -3.822 -2.138 131 HG13 VAL 19 3HG1 VAL 19 -3.815 -2.626 -2.275 132 HG21 VAL 19 3HG2 VAL 19 -0.119 -2.995 -1.386 133 HG22 VAL 19 1HG2 VAL 19 -0.935 -2.408 0.062 134 HG23 VAL 19 2HG2 VAL 19 0.051 -1.315 -0.899 135 H LEU 20 H LEU 20 -1.901 0.846 -2.726 136 HA LEU 20 HA LEU 20 0.847 1.803 -3.401 137 HB2 LEU 20 1HB LEU 20 -1.812 3.231 -3.696 138 HB3 LEU 20 2HB LEU 20 -0.242 3.902 -4.099 139 HG LEU 20 HG LEU 20 -1.489 1.463 -5.427 140 HD11 LEU 20 1HD1 LEU 20 -1.179 4.315 -6.441 141 HD12 LEU 20 2HD1 LEU 20 -2.691 3.517 -6.006 142 HD13 LEU 20 3HD1 LEU 20 -1.772 2.954 -7.398 143 HD21 LEU 20 3HD2 LEU 20 1.187 2.870 -5.830 144 HD22 LEU 20 1HD2 LEU 20 0.428 2.013 -7.175 145 HD23 LEU 20 2HD2 LEU 20 0.848 1.144 -5.709 146 H CYS 21 H CYS 21 1.792 3.243 -2.058 147 HA CYS 21 HA CYS 21 0.420 3.959 0.507 148 HB2 CYS 21 1HB CYS 21 1.944 2.030 0.851 149 HB3 CYS 21 2HB CYS 21 3.281 2.975 0.191 150 HG CYS 21 HG CYS 21 2.531 3.074 3.012 151 H PHE 22 H PHE 22 0.546 6.037 0.989 152 HA PHE 22 HA PHE 22 1.562 7.964 -0.750 153 HB2 PHE 22 1HB PHE 22 1.073 8.269 2.201 154 HB3 PHE 22 2HB PHE 22 1.127 9.577 1.021 155 HD1 PHE 22 HD2 PHE 22 -0.672 9.787 -0.738 156 HD2 PHE 22 HD1 PHE 22 -0.920 6.806 2.374 157 HE1 PHE 22 HE2 PHE 22 -3.070 9.427 -1.257 158 HE2 PHE 22 HE1 PHE 22 -3.314 6.462 1.842 159 HZ PHE 22 HZ PHE 22 -4.390 7.769 0.031 160 H HIS 23 H HIS 23 2.840 6.941 2.397 161 HA HIS 23 HA HIS 23 4.877 7.102 3.400 162 HB2 HIS 23 1HB HIS 23 5.411 5.519 1.535 163 HB3 HIS 23 2HB HIS 23 5.935 6.883 0.565 164 HD1 HIS 23 HD1 HIS 23 6.748 5.388 3.988 165 HD2 HIS 23 HD2 HIS 23 8.626 7.399 0.855 166 HE1 HIS 23 HE1 HIS 23 9.213 5.476 4.567 167 HE2 HIS 23 HE2 HIS 23 10.371 6.698 2.667 168 H GLY 24 H GLY 24 3.539 9.524 2.061 169 HA2 GLY 24 1HA GLY 24 4.639 11.663 3.113 170 HA3 GLY 24 2HA GLY 24 5.810 11.420 1.822 171 HA PRO 25 HA PRO 25 2.309 14.237 0.348 172 HB2 PRO 25 1HB PRO 25 4.742 15.413 -1.036 173 HB3 PRO 25 2HB PRO 25 3.365 16.263 -0.291 174 HG2 PRO 25 1HG PRO 25 5.676 16.182 1.003 175 HG3 PRO 25 2HG PRO 25 4.172 15.876 1.905 176 HD2 PRO 25 1HD PRO 25 6.178 13.833 0.870 177 HD3 PRO 25 2HD PRO 25 5.374 13.909 2.459 178 H LEU 26 H LEU 26 4.306 11.892 -0.965 179 HA LEU 26 HA LEU 26 3.011 12.051 -3.683 180 HB2 LEU 26 1HB LEU 26 5.752 12.301 -3.198 181 HB3 LEU 26 2HB LEU 26 5.617 10.580 -3.477 182 HG LEU 26 HG LEU 26 4.247 11.282 -5.657 183 HD11 LEU 26 1HD1 LEU 26 5.845 13.832 -5.161 184 HD12 LEU 26 2HD1 LEU 26 4.097 13.710 -5.027 185 HD13 LEU 26 3HD1 LEU 26 4.870 13.471 -6.587 186 HD21 LEU 26 3HD2 LEU 26 7.250 11.743 -5.470 187 HD22 LEU 26 1HD2 LEU 26 6.359 11.474 -6.971 188 HD23 LEU 26 2HD2 LEU 26 6.460 10.195 -5.762 189 H ILE 27 H ILE 27 3.498 9.765 -4.754 190 HA ILE 27 HA ILE 27 2.439 7.654 -2.895 191 HB ILE 27 HB ILE 27 1.578 8.148 -5.777 192 HG12 ILE 27 1HG1 ILE 27 -0.061 8.484 -3.209 193 HG13 ILE 27 2HG1 ILE 27 0.698 9.832 -4.048 194 HG21 ILE 27 1HG2 ILE 27 -0.114 6.356 -5.280 195 HG22 ILE 27 2HG2 ILE 27 0.637 6.127 -3.700 196 HG23 ILE 27 3HG2 ILE 27 1.527 5.738 -5.169 197 HD11 ILE 27 3HD1 ILE 27 -1.673 9.610 -4.690 198 HD12 ILE 27 1HD1 ILE 27 -1.367 7.977 -5.280 199 HD13 ILE 27 2HD1 ILE 27 -0.608 9.357 -6.072 200 H TYR 28 H TYR 28 3.263 5.664 -3.095 201 HA TYR 28 HA TYR 28 5.351 5.102 -5.164 202 HB2 TYR 28 1HB TYR 28 5.459 4.468 -2.184 203 HB3 TYR 28 2HB TYR 28 6.707 4.094 -3.382 204 HD1 TYR 28 HD1 TYR 28 4.864 6.882 -1.664 205 HD2 TYR 28 HD2 TYR 28 8.260 5.846 -4.150 206 HE1 TYR 28 HE1 TYR 28 5.839 9.152 -1.351 207 HE2 TYR 28 HE2 TYR 28 9.187 8.121 -3.819 208 HH TYR 28 HH TYR 28 8.927 10.082 -2.857 209 H GLU 29 H GLU 29 5.754 2.857 -5.505 210 HA GLU 29 HA GLU 29 3.314 1.253 -5.472 211 HB2 GLU 29 1HB GLU 29 4.833 1.408 -7.460 212 HB3 GLU 29 2HB GLU 29 6.075 0.550 -6.552 213 HG2 GLU 29 1HG GLU 29 4.555 -1.402 -6.309 214 HG3 GLU 29 2HG GLU 29 3.292 -0.535 -7.181 215 H ALA 30 H ALA 30 2.869 -0.366 -4.114 216 HA ALA 30 HA ALA 30 4.970 -1.776 -2.582 217 HB1 ALA 30 3HB ALA 30 3.777 -1.388 -0.455 218 HB2 ALA 30 1HB ALA 30 2.615 -0.348 -1.281 219 HB3 ALA 30 2HB ALA 30 4.304 0.139 -1.157 220 H LYS 31 H LYS 31 3.814 -3.555 -1.222 221 HA LYS 31 HA LYS 31 1.364 -4.604 -2.488 222 HB2 LYS 31 1HB LYS 31 3.244 -5.419 -3.893 223 HB3 LYS 31 2HB LYS 31 3.973 -6.156 -2.469 224 HG2 LYS 31 1HG LYS 31 2.086 -7.704 -2.217 225 HG3 LYS 31 2HG LYS 31 1.167 -6.860 -3.457 226 HD2 LYS 31 1HD LYS 31 2.093 -8.911 -4.410 227 HD3 LYS 31 2HD LYS 31 2.872 -7.522 -5.160 228 HE2 LYS 31 1HE LYS 31 4.901 -7.880 -3.897 229 HE3 LYS 31 2HE LYS 31 4.104 -9.012 -2.796 230 HZ1 LYS 31 3HZ LYS 31 5.194 -10.383 -4.262 231 HZ2 LYS 31 1HZ LYS 31 4.893 -9.394 -5.608 232 HZ3 LYS 31 2HZ LYS 31 3.637 -10.322 -4.937 233 H VAL 32 H VAL 32 0.276 -6.111 -1.275 234 HA VAL 32 HA VAL 32 0.953 -6.173 1.596 235 HB VAL 32 HB VAL 32 -1.569 -7.238 0.211 236 HG11 VAL 32 1HG1 VAL 32 -0.992 -6.439 3.105 237 HG12 VAL 32 2HG1 VAL 32 -1.188 -8.089 2.516 238 HG13 VAL 32 3HG1 VAL 32 -2.553 -6.980 2.482 239 HG21 VAL 32 3HG2 VAL 32 -1.034 -4.492 1.433 240 HG22 VAL 32 1HG2 VAL 32 -2.600 -5.069 0.862 241 HG23 VAL 32 2HG2 VAL 32 -1.284 -4.833 -0.273 242 H LEU 33 H LEU 33 2.211 -7.814 2.244 243 HA LEU 33 HA LEU 33 2.278 -10.375 0.796 244 HB2 LEU 33 1HB LEU 33 4.402 -9.360 1.533 245 HB3 LEU 33 2HB LEU 33 3.860 -9.428 3.199 246 HG LEU 33 HG LEU 33 3.815 -11.917 3.100 247 HD11 LEU 33 1HD1 LEU 33 5.020 -12.987 1.048 248 HD12 LEU 33 2HD1 LEU 33 4.618 -11.490 0.205 249 HD13 LEU 33 3HD1 LEU 33 3.339 -12.514 0.858 250 HD21 LEU 33 3HD2 LEU 33 6.273 -12.257 2.971 251 HD22 LEU 33 1HD2 LEU 33 5.854 -10.790 3.854 252 HD23 LEU 33 2HD2 LEU 33 6.433 -10.683 2.194 253 H LYS 34 H LYS 34 1.118 -9.041 3.823 254 HA LYS 34 HA LYS 34 -0.488 -11.445 4.307 255 HB2 LYS 34 1HB LYS 34 1.702 -12.012 5.308 256 HB3 LYS 34 2HB LYS 34 1.622 -10.593 6.329 257 HG2 LYS 34 1HG LYS 34 -0.535 -11.498 7.328 258 HG3 LYS 34 2HG LYS 34 -0.279 -12.977 6.402 259 HD2 LYS 34 1HD LYS 34 1.590 -11.838 8.531 260 HD3 LYS 34 2HD LYS 34 0.520 -13.231 8.732 261 HE2 LYS 34 1HE LYS 34 3.036 -13.033 7.021 262 HE3 LYS 34 2HE LYS 34 2.667 -14.196 8.291 263 HZ1 LYS 34 3HZ LYS 34 1.422 -14.010 5.609 264 HZ2 LYS 34 1HZ LYS 34 0.811 -14.982 6.856 265 HZ3 LYS 34 2HZ LYS 34 2.363 -15.282 6.233 266 H THR 35 H THR 35 -2.226 -11.059 5.588 267 HA THR 35 HA THR 35 -2.607 -8.318 6.728 268 HB THR 35 HB THR 35 -3.777 -8.336 4.598 269 HG1 THR 35 HG1 THR 35 -5.641 -8.909 6.650 270 HG21 THR 35 3HG2 THR 35 -5.114 -10.899 5.550 271 HG22 THR 35 1HG2 THR 35 -3.928 -10.786 4.252 272 HG23 THR 35 2HG2 THR 35 -5.506 -10.022 4.077 273 H LYS 36 H LYS 36 -3.760 -8.187 8.573 274 HA LYS 36 HA LYS 36 -4.560 -10.775 9.862 275 HB2 LYS 36 1HB LYS 36 -2.625 -9.583 10.891 276 HB3 LYS 36 2HB LYS 36 -3.691 -8.257 11.273 277 HG2 LYS 36 1HG LYS 36 -5.120 -9.777 12.640 278 HG3 LYS 36 2HG LYS 36 -4.088 -11.131 12.207 279 HD2 LYS 36 1HD LYS 36 -3.243 -10.562 14.348 280 HD3 LYS 36 2HD LYS 36 -2.130 -9.707 13.285 281 HE2 LYS 36 1HE LYS 36 -2.852 -8.243 15.128 282 HE3 LYS 36 2HE LYS 36 -3.485 -7.625 13.607 283 HZ1 LYS 36 3HZ LYS 36 -4.981 -8.021 15.753 284 HZ2 LYS 36 1HZ LYS 36 -5.157 -9.536 15.011 285 HZ3 LYS 36 2HZ LYS 36 -5.592 -8.125 14.171 286 HA PRO 37 HA PRO 37 -8.456 -8.259 9.631 287 HB2 PRO 37 1HB PRO 37 -10.145 -10.047 8.589 288 HB3 PRO 37 2HB PRO 37 -8.836 -9.400 7.568 289 HG2 PRO 37 1HG PRO 37 -8.888 -12.002 9.109 290 HG3 PRO 37 2HG PRO 37 -8.506 -11.749 7.389 291 HD2 PRO 37 1HD PRO 37 -6.541 -11.904 9.325 292 HD3 PRO 37 2HD PRO 37 -6.336 -10.919 7.860 293 H ASP 38 H ASP 38 -7.273 -10.221 11.808 294 HA ASP 38 HA ASP 38 -9.616 -11.324 13.106 295 HB2 ASP 38 1HB ASP 38 -7.341 -12.332 13.279 296 HB3 ASP 38 2HB ASP 38 -6.802 -10.929 14.196 297 H ALA 39 H ALA 39 -8.944 -8.226 12.671 298 HA ALA 39 HA ALA 39 -10.373 -7.361 15.062 299 HB1 ALA 39 3HB ALA 39 -7.549 -6.350 14.593 300 HB2 ALA 39 1HB ALA 39 -8.035 -7.445 15.882 301 HB3 ALA 39 2HB ALA 39 -8.653 -5.792 15.845 302 H THR 40 H THR 40 -10.918 -5.090 15.021 303 HA THR 40 HA THR 40 -10.731 -3.729 12.391 304 HB THR 40 HB THR 40 -13.152 -3.329 12.341 305 HG1 THR 40 HG1 THR 40 -13.516 -3.461 14.565 306 HG21 THR 40 3HG2 THR 40 -12.153 -5.417 11.253 307 HG22 THR 40 1HG2 THR 40 -13.856 -5.564 11.686 308 HG23 THR 40 2HG2 THR 40 -12.627 -6.308 12.700 309 HA PRO 41 HA PRO 41 -9.807 -1.744 11.830 310 HB2 PRO 41 1HB PRO 41 -7.828 -0.067 13.355 311 HB3 PRO 41 2HB PRO 41 -8.690 0.318 11.847 312 HG2 PRO 41 1HG PRO 41 -9.396 1.543 14.103 313 HG3 PRO 41 2HG PRO 41 -10.657 0.951 12.993 314 HD2 PRO 41 1HD PRO 41 -9.586 -0.442 15.484 315 HD3 PRO 41 2HD PRO 41 -11.284 -0.062 15.075 316 H VAL 42 H VAL 42 -7.179 -1.859 11.544 317 HA VAL 42 HA VAL 42 -5.776 -3.460 13.462 318 HB VAL 42 HB VAL 42 -7.462 -5.105 12.466 319 HG11 VAL 42 1HG1 VAL 42 -7.181 -5.953 10.208 320 HG12 VAL 42 2HG1 VAL 42 -5.752 -4.956 9.958 321 HG13 VAL 42 3HG1 VAL 42 -7.335 -4.197 10.119 322 HG21 VAL 42 3HG2 VAL 42 -6.002 -6.914 12.766 323 HG22 VAL 42 1HG2 VAL 42 -4.945 -5.662 13.389 324 HG23 VAL 42 2HG2 VAL 42 -4.763 -6.224 11.739 325 H GLU 43 H GLU 43 -3.907 -4.714 11.913 326 HA GLU 43 HA GLU 43 -2.593 -2.539 10.363 327 HB2 GLU 43 1HB GLU 43 -0.463 -3.556 11.167 328 HB3 GLU 43 2HB GLU 43 -1.442 -2.921 12.487 329 HG2 GLU 43 1HG GLU 43 -2.296 -5.217 12.948 330 HG3 GLU 43 2HG GLU 43 -1.282 -5.852 11.656 331 H TYR 44 H TYR 44 -1.163 -3.271 8.704 332 HA TYR 44 HA TYR 44 -1.754 -5.953 7.532 333 HB2 TYR 44 1HB TYR 44 -1.757 -3.254 6.118 334 HB3 TYR 44 2HB TYR 44 -1.977 -4.824 5.335 335 HD1 TYR 44 HD2 TYR 44 -3.480 -2.393 7.751 336 HD2 TYR 44 HD1 TYR 44 -4.111 -6.053 5.554 337 HE1 TYR 44 HE2 TYR 44 -5.881 -2.361 8.365 338 HE2 TYR 44 HE1 TYR 44 -6.502 -6.004 6.178 339 HH TYR 44 HH TYR 44 -7.906 -3.260 7.917 340 H TYR 45 H TYR 45 -0.125 -6.869 6.407 341 HA TYR 45 HA TYR 45 2.567 -5.861 6.993 342 HB2 TYR 45 1HB TYR 45 1.759 -8.321 7.115 343 HB3 TYR 45 2HB TYR 45 1.978 -8.360 5.374 344 HD1 TYR 45 HD1 TYR 45 4.324 -7.457 4.456 345 HD2 TYR 45 HD2 TYR 45 3.693 -8.783 8.503 346 HE1 TYR 45 HE1 TYR 45 6.754 -7.843 4.715 347 HE2 TYR 45 HE2 TYR 45 6.125 -9.152 8.753 348 HH TYR 45 HH TYR 45 8.071 -9.344 7.632 349 H ILE 46 H ILE 46 3.066 -4.170 5.741 350 HA ILE 46 HA ILE 46 2.845 -4.372 2.768 351 HB ILE 46 HB ILE 46 2.689 -2.098 4.762 352 HG12 ILE 46 1HG1 ILE 46 0.844 -1.320 3.344 353 HG13 ILE 46 2HG1 ILE 46 1.258 -2.477 2.085 354 HG21 ILE 46 1HG2 ILE 46 3.082 -0.436 2.784 355 HG22 ILE 46 2HG2 ILE 46 3.854 -1.794 1.963 356 HG23 ILE 46 3HG2 ILE 46 4.521 -1.186 3.471 357 HD11 ILE 46 3HD1 ILE 46 -0.731 -3.050 3.558 358 HD12 ILE 46 1HD1 ILE 46 0.420 -3.346 4.862 359 HD13 ILE 46 2HD1 ILE 46 0.487 -4.305 3.380 360 H HIS 47 H HIS 47 4.607 -4.226 1.567 361 HA HIS 47 HA HIS 47 7.244 -3.531 2.713 362 HB2 HIS 47 1HB HIS 47 8.256 -5.553 1.672 363 HB3 HIS 47 2HB HIS 47 7.096 -5.979 2.931 364 HD1 HIS 47 HD1 HIS 47 7.924 -6.713 -0.496 365 HD2 HIS 47 HD2 HIS 47 4.403 -6.598 1.723 366 HE1 HIS 47 HE1 HIS 47 6.212 -8.023 -1.814 367 HE2 HIS 47 HE2 HIS 47 4.043 -7.936 -0.496 368 H TYR 48 H TYR 48 8.493 -2.447 1.314 369 HA TYR 48 HA TYR 48 7.355 -1.435 -1.129 370 HB2 TYR 48 1HB TYR 48 10.158 -1.189 0.028 371 HB3 TYR 48 2HB TYR 48 9.537 -0.245 -1.327 372 HD1 TYR 48 HD2 TYR 48 9.265 -0.823 2.344 373 HD2 TYR 48 HD1 TYR 48 7.828 1.524 -0.980 374 HE1 TYR 48 HE2 TYR 48 8.200 0.775 3.915 375 HE2 TYR 48 HE1 TYR 48 6.768 3.106 0.606 376 HH TYR 48 HH TYR 48 7.014 3.815 2.932 377 H ALA 49 H ALA 49 7.558 -2.193 -3.136 378 HA ALA 49 HA ALA 49 8.795 -4.733 -3.680 379 HB1 ALA 49 3HB ALA 49 7.998 -4.344 -5.986 380 HB2 ALA 49 1HB ALA 49 7.621 -2.668 -5.576 381 HB3 ALA 49 2HB ALA 49 6.731 -3.983 -4.812 382 H GLY 50 H GLY 50 10.598 -5.183 -4.955 383 HA2 GLY 50 1HA GLY 50 12.567 -4.851 -6.127 384 HA3 GLY 50 2HA GLY 50 12.240 -3.122 -6.194 385 H TRP 51 H TRP 51 12.039 -4.582 -3.090 386 HA TRP 51 HA TRP 51 14.843 -3.896 -2.356 387 HB2 TRP 51 1HB TRP 51 12.358 -2.839 -0.948 388 HB3 TRP 51 2HB TRP 51 14.018 -2.618 -0.393 389 HD1 TRP 51 HD1 TRP 51 11.480 -1.046 -2.623 390 HE1 TRP 51 HE1 TRP 51 12.545 0.857 -3.992 391 HE3 TRP 51 HE3 TRP 51 16.411 -1.953 -1.688 392 HZ2 TRP 51 HZ2 TRP 51 15.146 1.865 -4.610 393 HZ3 TRP 51 HZ3 TRP 51 18.168 -0.508 -2.678 394 HH2 TRP 51 HH2 TRP 51 17.542 1.401 -4.139 395 H SER 52 H SER 52 15.193 -4.470 0.010 396 HA SER 52 HA SER 52 14.835 -7.266 0.315 397 HB2 SER 52 1HB SER 52 16.728 -6.046 1.318 398 HB3 SER 52 2HB SER 52 15.623 -5.172 2.374 399 HG SER 52 HG SER 52 16.041 -7.982 2.280 400 H LYS 53 H LYS 53 13.450 -8.453 1.568 401 HA LYS 53 HA LYS 53 10.886 -7.273 2.299 402 HB2 LYS 53 1HB LYS 53 11.927 -10.128 2.466 403 HB3 LYS 53 2HB LYS 53 10.259 -9.625 2.757 404 HG2 LYS 53 1HG LYS 53 10.090 -8.781 0.435 405 HG3 LYS 53 2HG LYS 53 11.775 -9.213 0.144 406 HD2 LYS 53 1HD LYS 53 10.386 -10.968 -0.813 407 HD3 LYS 53 2HD LYS 53 11.182 -11.633 0.611 408 HE2 LYS 53 1HE LYS 53 9.123 -11.512 1.902 409 HE3 LYS 53 2HE LYS 53 8.351 -10.498 0.680 410 HZ1 LYS 53 3HZ LYS 53 7.578 -12.374 -0.162 411 HZ2 LYS 53 1HZ LYS 53 8.590 -13.332 0.809 412 HZ3 LYS 53 2HZ LYS 53 9.160 -12.725 -0.672 413 H ASN 54 H ASN 54 13.827 -7.701 3.896 414 HA ASN 54 HA ASN 54 12.908 -8.454 6.510 415 HB2 ASN 54 1HB ASN 54 15.448 -6.995 5.676 416 HB3 ASN 54 2HB ASN 54 15.167 -7.779 7.231 417 HD21 ASN 54 2HD2 ASN 54 16.873 -8.322 4.530 418 HD22 ASN 54 1HD2 ASN 54 16.728 -10.009 4.394 419 H TRP 55 H TRP 55 12.342 -5.727 4.734 420 HA TRP 55 HA TRP 55 12.717 -3.611 6.591 421 HB2 TRP 55 1HB TRP 55 12.352 -3.381 4.117 422 HB3 TRP 55 2HB TRP 55 10.664 -3.832 4.346 423 HD1 TRP 55 HD1 TRP 55 9.072 -1.836 4.803 424 HE1 TRP 55 HE1 TRP 55 9.366 0.609 5.539 425 HE3 TRP 55 HE3 TRP 55 14.102 -1.766 5.685 426 HZ2 TRP 55 HZ2 TRP 55 11.445 2.377 6.381 427 HZ3 TRP 55 HZ3 TRP 55 15.216 0.314 6.453 428 HH2 TRP 55 HH2 TRP 55 13.894 2.386 6.800 429 H ASP 56 H ASP 56 10.099 -5.871 6.005 430 HA ASP 56 HA ASP 56 7.989 -6.110 6.988 431 HB2 ASP 56 1HB ASP 56 9.642 -7.479 8.245 432 HB3 ASP 56 2HB ASP 56 9.840 -6.164 9.394 433 H GLU 57 H GLU 57 7.151 -3.882 6.571 434 HA GLU 57 HA GLU 57 6.995 -2.204 9.060 435 HB2 GLU 57 1HB GLU 57 8.100 -1.181 7.042 436 HB3 GLU 57 2HB GLU 57 6.568 -1.293 6.188 437 HG2 GLU 57 1HG GLU 57 6.765 0.967 7.095 438 HG3 GLU 57 2HG GLU 57 5.536 0.131 8.030 439 H TRP 58 H TRP 58 5.177 -2.586 10.095 440 HA TRP 58 HA TRP 58 2.688 -3.357 8.769 441 HB2 TRP 58 1HB TRP 58 3.696 -3.192 11.622 442 HB3 TRP 58 2HB TRP 58 1.960 -3.183 11.365 443 HD1 TRP 58 HD1 TRP 58 1.016 -5.316 9.827 444 HE1 TRP 58 HE1 TRP 58 1.724 -7.789 9.958 445 HE3 TRP 58 HE3 TRP 58 5.563 -4.809 12.091 446 HZ2 TRP 58 HZ2 TRP 58 3.923 -9.359 10.891 447 HZ3 TRP 58 HZ3 TRP 58 6.951 -6.807 12.588 448 HH2 TRP 58 HH2 TRP 58 6.138 -9.076 11.991 449 H VAL 59 H VAL 59 1.006 -1.983 8.390 450 HA VAL 59 HA VAL 59 1.025 0.743 9.595 451 HB VAL 59 HB VAL 59 0.624 1.755 7.350 452 HG11 VAL 59 1HG1 VAL 59 3.177 0.085 7.353 453 HG12 VAL 59 2HG1 VAL 59 2.975 1.550 8.305 454 HG13 VAL 59 3HG1 VAL 59 2.921 1.630 6.546 455 HG21 VAL 59 3HG2 VAL 59 1.044 0.364 5.320 456 HG22 VAL 59 1HG2 VAL 59 -0.344 -0.226 6.221 457 HG23 VAL 59 2HG2 VAL 59 1.191 -1.062 6.343 458 HA PRO 60 HA PRO 60 -3.382 -0.033 9.841 459 HB2 PRO 60 1HB PRO 60 -4.388 2.441 10.314 460 HB3 PRO 60 2HB PRO 60 -3.283 1.684 11.493 461 HG2 PRO 60 1HG PRO 60 -2.584 3.636 9.288 462 HG3 PRO 60 2HG PRO 60 -2.215 3.768 11.023 463 HD2 PRO 60 1HD PRO 60 -0.363 2.771 9.311 464 HD3 PRO 60 2HD PRO 60 -0.555 2.055 10.927 465 H GLU 61 H GLU 61 -5.308 0.155 8.618 466 HA GLU 61 HA GLU 61 -5.142 0.288 5.856 467 HB2 GLU 61 1HB GLU 61 -7.661 0.530 5.895 468 HB3 GLU 61 2HB GLU 61 -7.052 -0.766 6.921 469 HG2 GLU 61 1HG GLU 61 -7.198 0.729 8.904 470 HG3 GLU 61 2HG GLU 61 -7.824 2.020 7.881 471 H ASN 62 H ASN 62 -5.304 2.904 8.065 472 HA ASN 62 HA ASN 62 -6.456 4.930 6.443 473 HB2 ASN 62 1HB ASN 62 -6.161 5.117 8.894 474 HB3 ASN 62 2HB ASN 62 -4.419 5.185 8.678 475 HD21 ASN 62 2HD2 ASN 62 -7.435 6.975 8.062 476 HD22 ASN 62 1HD2 ASN 62 -6.686 8.479 7.830 477 H ARG 63 H ARG 63 -3.063 3.893 6.837 478 HA ARG 63 HA ARG 63 -2.112 5.914 4.910 479 HB2 ARG 63 1HB ARG 63 -0.802 5.507 6.940 480 HB3 ARG 63 2HB ARG 63 -0.616 3.808 6.509 481 HG2 ARG 63 1HG ARG 63 0.856 4.289 4.676 482 HG3 ARG 63 2HG ARG 63 0.341 5.973 4.566 483 HD2 ARG 63 1HD ARG 63 2.645 5.659 5.581 484 HD3 ARG 63 2HD ARG 63 1.520 6.549 6.606 485 HE ARG 63 HE ARG 63 1.408 3.769 7.227 486 HH11 ARG 63 1HH2 ARG 63 3.461 6.558 7.533 487 HH12 ARG 63 2HH2 ARG 63 4.182 6.028 9.018 488 HH21 ARG 63 1HH1 ARG 63 2.329 3.108 9.188 489 HH22 ARG 63 2HH1 ARG 63 3.550 4.077 9.945 490 H VAL 64 H VAL 64 -3.496 2.900 4.633 491 HA VAL 64 HA VAL 64 -1.884 2.067 2.272 492 HB VAL 64 HB VAL 64 -4.222 0.633 3.608 493 HG11 VAL 64 1HG1 VAL 64 -3.359 -1.348 2.344 494 HG12 VAL 64 2HG1 VAL 64 -2.158 -0.314 1.569 495 HG13 VAL 64 3HG1 VAL 64 -3.871 -0.068 1.251 496 HG21 VAL 64 3HG2 VAL 64 -1.216 0.202 3.890 497 HG22 VAL 64 1HG2 VAL 64 -2.469 -0.812 4.612 498 HG23 VAL 64 2HG2 VAL 64 -2.278 0.856 5.134 499 H LEU 65 H LEU 65 -2.560 2.408 0.258 500 HA LEU 65 HA LEU 65 -5.372 3.294 -0.239 501 HB2 LEU 65 1HB LEU 65 -3.702 5.133 -0.483 502 HB3 LEU 65 2HB LEU 65 -2.874 4.191 -1.711 503 HG LEU 65 HG LEU 65 -4.991 4.238 -3.106 504 HD11 LEU 65 1HD1 LEU 65 -6.026 5.907 -0.783 505 HD12 LEU 65 2HD1 LEU 65 -6.808 4.561 -1.608 506 HD13 LEU 65 3HD1 LEU 65 -6.688 6.116 -2.406 507 HD21 LEU 65 3HD2 LEU 65 -4.775 6.611 -3.790 508 HD22 LEU 65 1HD2 LEU 65 -3.194 5.894 -3.485 509 HD23 LEU 65 2HD2 LEU 65 -3.924 6.965 -2.288 510 H LYS 66 H LYS 66 -6.482 2.217 -1.725 511 HA LYS 66 HA LYS 66 -5.506 -0.240 -2.803 512 HB2 LYS 66 1HB LYS 66 -7.721 -0.262 -4.010 513 HB3 LYS 66 2HB LYS 66 -7.853 0.001 -2.270 514 HG2 LYS 66 1HG LYS 66 -8.179 2.406 -2.581 515 HG3 LYS 66 2HG LYS 66 -7.863 2.274 -4.309 516 HD2 LYS 66 1HD LYS 66 -10.277 2.439 -3.931 517 HD3 LYS 66 2HD LYS 66 -9.890 0.841 -4.565 518 HE2 LYS 66 1HE LYS 66 -10.235 -0.189 -2.404 519 HE3 LYS 66 2HE LYS 66 -10.193 1.369 -1.572 520 HZ1 LYS 66 3HZ LYS 66 -12.173 1.811 -3.244 521 HZ2 LYS 66 1HZ LYS 66 -12.407 1.112 -1.716 522 HZ3 LYS 66 2HZ LYS 66 -12.334 0.125 -3.097 523 H TYR 67 H TYR 67 -5.390 -0.815 -5.053 524 HA TYR 67 HA TYR 67 -4.018 1.248 -6.647 525 HB2 TYR 67 1HB TYR 67 -3.052 -1.040 -6.390 526 HB3 TYR 67 2HB TYR 67 -4.454 -1.722 -7.209 527 HD1 TYR 67 HD2 TYR 67 -1.420 0.401 -7.632 528 HD2 TYR 67 HD1 TYR 67 -4.769 -1.406 -9.658 529 HE1 TYR 67 HE2 TYR 67 -0.382 0.923 -9.820 530 HE2 TYR 67 HE1 TYR 67 -3.720 -0.876 -11.843 531 HH TYR 67 HH TYR 67 -1.035 -0.457 -12.543 532 H ASN 68 H ASN 68 -5.101 2.411 -8.106 533 HA ASN 68 HA ASN 68 -7.192 1.220 -9.783 534 HB2 ASN 68 1HB ASN 68 -8.412 1.984 -7.747 535 HB3 ASN 68 2HB ASN 68 -7.808 3.616 -8.003 536 HD21 ASN 68 2HD2 ASN 68 -9.511 1.057 -9.909 537 HD22 ASN 68 1HD2 ASN 68 -10.569 2.138 -10.679 538 H ASP 69 H ASP 69 -7.518 2.322 -11.678 539 HA ASP 69 HA ASP 69 -5.464 3.677 -12.879 540 HB2 ASP 69 1HB ASP 69 -7.143 4.400 -14.564 541 HB3 ASP 69 2HB ASP 69 -7.362 2.715 -14.097 542 H ASP 70 H ASP 70 -7.915 5.029 -10.768 543 HA ASP 70 HA ASP 70 -7.442 7.794 -11.442 544 HB2 ASP 70 1HB ASP 70 -9.580 6.970 -10.439 545 HB3 ASP 70 2HB ASP 70 -8.729 6.630 -8.934 546 H ASN 71 H ASN 71 -6.378 5.645 -8.795 547 HA ASN 71 HA ASN 71 -4.863 7.603 -7.382 548 HB2 ASN 71 1HB ASN 71 -4.425 4.592 -7.483 549 HB3 ASN 71 2HB ASN 71 -3.791 5.697 -6.263 550 HD21 ASN 71 2HD2 ASN 71 -5.957 3.402 -6.289 551 HD22 ASN 71 1HD2 ASN 71 -7.237 4.100 -5.418 552 H VAL 72 H VAL 72 -4.108 5.392 -10.016 553 HA VAL 72 HA VAL 72 -1.299 5.933 -10.183 554 HB VAL 72 HB VAL 72 -3.265 5.037 -12.342 555 HG11 VAL 72 1HG1 VAL 72 -1.211 4.142 -13.493 556 HG12 VAL 72 2HG1 VAL 72 -0.214 4.934 -12.274 557 HG13 VAL 72 3HG1 VAL 72 -1.190 5.897 -13.380 558 HG21 VAL 72 3HG2 VAL 72 -1.393 3.422 -10.553 559 HG22 VAL 72 1HG2 VAL 72 -2.432 2.759 -11.813 560 HG23 VAL 72 2HG2 VAL 72 -3.144 3.500 -10.384 561 H LYS 73 H LYS 73 -4.175 7.318 -11.748 562 HA LYS 73 HA LYS 73 -2.949 9.213 -13.409 563 HB2 LYS 73 1HB LYS 73 -5.340 8.542 -13.518 564 HB3 LYS 73 2HB LYS 73 -5.642 9.414 -12.025 565 HG2 LYS 73 1HG LYS 73 -4.955 11.542 -13.111 566 HG3 LYS 73 2HG LYS 73 -4.639 10.663 -14.609 567 HD2 LYS 73 1HD LYS 73 -7.028 9.976 -14.710 568 HD3 LYS 73 2HD LYS 73 -7.343 10.856 -13.214 569 HE2 LYS 73 1HE LYS 73 -6.680 12.972 -14.321 570 HE3 LYS 73 2HE LYS 73 -6.378 12.089 -15.820 571 HZ1 LYS 73 3HZ LYS 73 -8.849 12.978 -14.712 572 HZ2 LYS 73 1HZ LYS 73 -8.881 11.313 -15.028 573 HZ3 LYS 73 2HZ LYS 73 -8.514 12.404 -16.277 574 H ARG 74 H ARG 74 -3.963 9.393 -10.024 575 HA ARG 74 HA ARG 74 -3.356 12.150 -9.587 576 HB2 ARG 74 1HB ARG 74 -3.636 9.783 -7.703 577 HB3 ARG 74 2HB ARG 74 -3.290 11.409 -7.108 578 HG2 ARG 74 1HG ARG 74 -5.368 12.258 -8.124 579 HG3 ARG 74 2HG ARG 74 -5.718 10.671 -8.798 580 HD2 ARG 74 1HD ARG 74 -7.017 11.003 -6.734 581 HD3 ARG 74 2HD ARG 74 -5.827 9.726 -6.499 582 HE ARG 74 HE ARG 74 -4.755 11.059 -4.933 583 HH11 ARG 74 1HH2 ARG 74 -6.909 13.015 -6.838 584 HH12 ARG 74 2HH2 ARG 74 -6.659 14.442 -5.888 585 HH21 ARG 74 1HH1 ARG 74 -4.436 12.924 -3.702 586 HH22 ARG 74 2HH1 ARG 74 -5.262 14.392 -4.116 587 H ARG 75 H ARG 75 -1.450 9.175 -9.218 588 HA ARG 75 HA ARG 75 0.865 10.402 -8.076 589 HB2 ARG 75 1HB ARG 75 0.439 7.957 -7.986 590 HB3 ARG 75 2HB ARG 75 0.670 7.851 -9.732 591 HG2 ARG 75 1HG ARG 75 3.012 8.602 -9.507 592 HG3 ARG 75 2HG ARG 75 2.799 8.852 -7.778 593 HD2 ARG 75 1HD ARG 75 2.376 6.435 -7.477 594 HD3 ARG 75 2HD ARG 75 2.556 6.176 -9.211 595 HE ARG 75 HE ARG 75 4.677 6.496 -7.286 596 HH11 ARG 75 1HH2 ARG 75 3.774 7.046 -10.598 597 HH12 ARG 75 2HH2 ARG 75 5.409 7.095 -11.175 598 HH21 ARG 75 1HH1 ARG 75 6.809 6.550 -8.050 599 HH22 ARG 75 2HH1 ARG 75 7.122 6.817 -9.735 600 H GLN 76 H GLN 76 -0.219 9.715 -11.329 601 HA GLN 76 HA GLN 76 2.110 10.580 -12.725 602 HB2 GLN 76 1HB GLN 76 0.563 9.096 -13.813 603 HB3 GLN 76 2HB GLN 76 -0.791 10.139 -13.437 604 HG2 GLN 76 1HG GLN 76 -0.112 10.250 -15.833 605 HG3 GLN 76 2HG GLN 76 -0.063 11.810 -15.027 606 HE21 GLN 76 2HE2 GLN 76 2.332 9.091 -15.104 607 HE22 GLN 76 1HE2 GLN 76 3.617 10.059 -15.648 608 H GLU 77 H GLU 77 -0.825 12.133 -11.541 609 HA GLU 77 HA GLU 77 -0.440 14.691 -12.795 610 HB2 GLU 77 1HB GLU 77 -2.619 13.870 -11.848 611 HB3 GLU 77 2HB GLU 77 -1.951 14.036 -10.230 612 HG2 GLU 77 1HG GLU 77 -1.641 16.461 -10.583 613 HG3 GLU 77 2HG GLU 77 -2.269 16.307 -12.222 614 H LEU 78 H LEU 78 0.145 13.492 -9.506 615 HA LEU 78 HA LEU 78 1.472 15.759 -8.465 616 HB2 LEU 78 1HB LEU 78 1.646 12.806 -7.791 617 HB3 LEU 78 2HB LEU 78 2.401 14.045 -6.795 618 HG LEU 78 HG LEU 78 -0.597 14.193 -7.413 619 HD11 LEU 78 1HD1 LEU 78 -1.049 12.995 -5.283 620 HD12 LEU 78 2HD1 LEU 78 0.676 12.665 -5.108 621 HD13 LEU 78 3HD1 LEU 78 -0.227 11.957 -6.445 622 HD21 LEU 78 3HD2 LEU 78 0.459 16.200 -6.367 623 HD22 LEU 78 1HD2 LEU 78 1.085 15.196 -5.063 624 HD23 LEU 78 2HD2 LEU 78 -0.651 15.437 -5.241 625 H ALA 79 H ALA 79 2.705 12.888 -10.150 626 HA ALA 79 HA ALA 79 5.481 13.456 -9.887 627 HB1 ALA 79 3HB ALA 79 5.758 11.812 -11.711 628 HB2 ALA 79 1HB ALA 79 4.023 11.869 -12.010 629 HB3 ALA 79 2HB ALA 79 4.634 11.229 -10.481 630 H ARG 80 H ARG 80 3.018 14.401 -12.183 631 HA ARG 80 HA ARG 80 4.808 15.637 -14.071 632 HB2 ARG 80 1HB ARG 80 2.562 14.762 -14.657 633 HB3 ARG 80 2HB ARG 80 1.816 16.004 -13.654 634 HG2 ARG 80 1HG ARG 80 2.805 17.767 -15.082 635 HG3 ARG 80 2HG ARG 80 3.607 16.537 -16.056 636 HD2 ARG 80 1HD ARG 80 1.415 15.617 -16.714 637 HD3 ARG 80 2HD ARG 80 0.601 16.828 -15.723 638 HE ARG 80 HE ARG 80 2.343 18.172 -17.486 639 HH11 ARG 80 1HH2 ARG 80 -0.569 16.273 -17.583 640 HH12 ARG 80 2HH2 ARG 80 -1.160 17.028 -19.027 641 HH21 ARG 80 1HH1 ARG 80 1.566 19.146 -19.360 642 HH22 ARG 80 2HH1 ARG 80 0.047 18.650 -20.032 643 H GLN 81 H GLN 81 2.714 16.787 -11.444 644 HA GLN 81 HA GLN 81 3.430 19.567 -11.715 645 HB2 GLN 81 1HB GLN 81 1.872 17.880 -9.730 646 HB3 GLN 81 2HB GLN 81 2.308 19.527 -9.279 647 HG2 GLN 81 1HG GLN 81 0.032 19.398 -10.311 648 HG3 GLN 81 2HG GLN 81 1.122 20.428 -11.230 649 HE21 GLN 81 2HE2 GLN 81 2.011 19.525 -13.276 650 HE22 GLN 81 1HE2 GLN 81 1.184 18.274 -14.074 651 H CYS 82 H CYS 82 5.043 16.866 -10.486 652 HA CYS 82 HA CYS 82 6.395 17.896 -8.240 653 HB2 CYS 82 1HB CYS 82 6.419 15.506 -9.002 654 HB3 CYS 82 2HB CYS 82 7.578 15.946 -10.251 655 HG CYS 82 HG CYS 82 8.268 15.430 -7.382 656 H GLY 83 H GLY 83 6.937 18.386 -11.663 657 HA2 GLY 83 1HA GLY 83 8.519 20.723 -11.250 658 HA3 GLY 83 2HA GLY 83 9.526 19.355 -11.735 659 H GLU 84 H GLU 84 8.672 21.902 -13.105 660 HA GLU 84 HA GLU 84 6.928 21.323 -15.270 661 HB2 GLU 84 1HB GLU 84 9.204 23.329 -15.082 662 HB3 GLU 84 2HB GLU 84 7.974 23.324 -16.346 663 HG2 GLU 84 1HG GLU 84 6.204 23.629 -14.635 664 HG3 GLU 84 2HG GLU 84 7.423 23.624 -13.364 665 H ARG 85 H ARG 85 7.272 20.548 -17.301 666 HA ARG 85 HA ARG 85 8.169 19.232 -18.947 667 HB2 ARG 85 1HB ARG 85 10.667 20.802 -18.229 668 HB3 ARG 85 2HB ARG 85 10.442 19.874 -19.714 669 HG2 ARG 85 1HG ARG 85 8.521 21.311 -20.338 670 HG3 ARG 85 2HG ARG 85 8.710 22.229 -18.843 671 HD2 ARG 85 1HD ARG 85 9.768 23.439 -20.699 672 HD3 ARG 85 2HD ARG 85 11.005 22.893 -19.564 673 HE ARG 85 HE ARG 85 10.617 20.935 -21.594 674 HH11 ARG 85 1HH2 ARG 85 11.932 24.110 -21.096 675 HH12 ARG 85 2HH2 ARG 85 13.113 23.963 -22.357 676 HH21 ARG 85 1HH1 ARG 85 12.158 20.745 -23.239 677 HH22 ARG 85 2HH1 ARG 85 13.240 22.058 -23.569 Start of MODEL 5 1 H1 MET 1 1H MET 1 -19.397 -11.502 -10.030 2 H2 MET 1 2H MET 1 -20.048 -12.068 -11.494 3 H3 MET 1 3H MET 1 -18.867 -12.976 -10.680 4 HA MET 1 HA MET 1 -21.705 -12.565 -9.966 5 HB2 MET 1 1HB MET 1 -19.878 -14.997 -10.186 6 HB3 MET 1 2HB MET 1 -21.581 -15.059 -9.727 7 HG2 MET 1 1HG MET 1 -22.211 -14.079 -11.917 8 HG3 MET 1 2HG MET 1 -20.508 -14.021 -12.380 9 HE1 MET 1 3HE MET 1 -21.673 -16.851 -14.654 10 HE2 MET 1 1HE MET 1 -20.627 -15.436 -14.483 11 HE3 MET 1 2HE MET 1 -22.370 -15.277 -14.279 12 H ASN 2 H ASN 2 -18.609 -13.797 -8.677 13 HA ASN 2 HA ASN 2 -19.468 -14.031 -5.976 14 HB2 ASN 2 1HB ASN 2 -16.656 -13.631 -7.079 15 HB3 ASN 2 2HB ASN 2 -17.057 -14.221 -5.463 16 HD21 ASN 2 2HD2 ASN 2 -15.633 -15.601 -7.773 17 HD22 ASN 2 1HD2 ASN 2 -16.508 -17.035 -8.017 18 H TYR 3 H TYR 3 -18.692 -12.718 -4.171 19 HA TYR 3 HA TYR 3 -17.884 -9.944 -4.680 20 HB2 TYR 3 1HB TYR 3 -19.845 -9.007 -3.449 21 HB3 TYR 3 2HB TYR 3 -20.310 -9.775 -4.967 22 HD1 TYR 3 HD2 TYR 3 -20.372 -10.111 -1.260 23 HD2 TYR 3 HD1 TYR 3 -21.555 -11.928 -4.991 24 HE1 TYR 3 HE2 TYR 3 -21.889 -11.653 -0.044 25 HE2 TYR 3 HE1 TYR 3 -23.059 -13.461 -3.754 26 HH TYR 3 HH TYR 3 -23.334 -14.377 -1.545 27 H SER 4 H SER 4 -17.277 -8.839 -2.774 28 HA SER 4 HA SER 4 -16.123 -10.586 -0.737 29 HB2 SER 4 1HB SER 4 -15.004 -8.534 0.022 30 HB3 SER 4 2HB SER 4 -14.841 -8.704 -1.726 31 HG SER 4 HG SER 4 -15.970 -6.950 -1.974 32 H THR 5 H THR 5 -16.818 -7.649 0.664 33 HA THR 5 HA THR 5 -18.061 -7.104 2.537 34 HB THR 5 HB THR 5 -20.483 -7.214 2.226 35 HG1 THR 5 HG1 THR 5 -21.311 -8.458 0.511 36 HG21 THR 5 3HG2 THR 5 -19.087 -6.802 -0.449 37 HG22 THR 5 1HG2 THR 5 -19.238 -5.582 0.817 38 HG23 THR 5 2HG2 THR 5 -20.676 -6.184 -0.009 39 H GLY 6 H GLY 6 -17.142 -8.443 4.103 40 HA2 GLY 6 1HA GLY 6 -17.256 -9.949 5.854 41 HA3 GLY 6 2HA GLY 6 -18.860 -10.425 5.307 42 H THR 7 H THR 7 -18.352 -11.373 2.771 43 HA THR 7 HA THR 7 -17.368 -13.991 3.269 44 HB THR 7 HB THR 7 -17.787 -12.658 0.556 45 HG1 THR 7 HG1 THR 7 -19.616 -14.169 2.096 46 HG21 THR 7 3HG2 THR 7 -17.875 -15.579 1.429 47 HG22 THR 7 1HG2 THR 7 -16.621 -14.849 0.425 48 HG23 THR 7 2HG2 THR 7 -18.268 -14.983 -0.181 49 H ASP 8 H ASP 8 -15.380 -14.844 3.094 50 HA ASP 8 HA ASP 8 -13.089 -14.986 2.903 51 HB2 ASP 8 1HB ASP 8 -13.671 -13.426 0.358 52 HB3 ASP 8 2HB ASP 8 -12.182 -14.302 0.694 53 H ALA 9 H ALA 9 -12.287 -13.810 4.606 54 HA ALA 9 HA ALA 9 -11.227 -12.138 5.747 55 HB1 ALA 9 3HB ALA 9 -9.738 -10.667 4.484 56 HB2 ALA 9 1HB ALA 9 -10.588 -11.028 2.983 57 HB3 ALA 9 2HB ALA 9 -9.673 -12.290 3.800 58 H ASN 10 H ASN 10 -12.412 -10.733 6.898 59 HA ASN 10 HA ASN 10 -14.629 -9.257 5.922 60 HB2 ASN 10 1HB ASN 10 -12.967 -8.760 8.425 61 HB3 ASN 10 2HB ASN 10 -14.590 -8.133 8.123 62 HD21 ASN 10 2HD2 ASN 10 -13.167 -10.446 9.923 63 HD22 ASN 10 1HD2 ASN 10 -14.350 -11.661 9.861 64 H THR 11 H THR 11 -11.243 -8.363 6.450 65 HA THR 11 HA THR 11 -11.497 -5.577 5.960 66 HB THR 11 HB THR 11 -9.046 -5.647 5.596 67 HG1 THR 11 HG1 THR 11 -8.040 -7.687 5.599 68 HG21 THR 11 3HG2 THR 11 -8.413 -6.694 7.758 69 HG22 THR 11 1HG2 THR 11 -9.981 -7.493 7.835 70 HG23 THR 11 2HG2 THR 11 -9.882 -5.733 7.924 71 H LEU 12 H LEU 12 -10.838 -4.401 4.083 72 HA LEU 12 HA LEU 12 -11.824 -5.593 1.572 73 HB2 LEU 12 1HB LEU 12 -11.082 -2.785 2.470 74 HB3 LEU 12 2HB LEU 12 -11.324 -3.133 0.757 75 HG LEU 12 HG LEU 12 -13.627 -3.928 1.226 76 HD11 LEU 12 1HD1 LEU 12 -14.589 -3.452 3.559 77 HD12 LEU 12 2HD1 LEU 12 -12.925 -3.283 4.119 78 HD13 LEU 12 3HD1 LEU 12 -13.486 -4.818 3.454 79 HD21 LEU 12 3HD2 LEU 12 -13.261 -1.527 0.710 80 HD22 LEU 12 1HD2 LEU 12 -13.052 -1.186 2.430 81 HD23 LEU 12 2HD2 LEU 12 -14.615 -1.731 1.821 82 H PHE 13 H PHE 13 -8.892 -5.535 3.111 83 HA PHE 13 HA PHE 13 -7.312 -5.569 0.556 84 HB2 PHE 13 1HB PHE 13 -6.448 -4.931 3.411 85 HB3 PHE 13 2HB PHE 13 -5.356 -5.037 2.027 86 HD1 PHE 13 HD2 PHE 13 -5.439 -3.351 0.191 87 HD2 PHE 13 HD1 PHE 13 -8.025 -3.012 3.627 88 HE1 PHE 13 HE2 PHE 13 -5.998 -1.019 -0.447 89 HE2 PHE 13 HE1 PHE 13 -8.577 -0.685 2.973 90 HZ PHE 13 HZ PHE 13 -7.568 0.311 0.937 91 H VAL 14 H VAL 14 -6.230 -7.348 0.052 92 HA VAL 14 HA VAL 14 -5.954 -9.581 2.013 93 HB VAL 14 HB VAL 14 -6.503 -11.169 0.177 94 HG11 VAL 14 1HG1 VAL 14 -8.677 -9.094 0.737 95 HG12 VAL 14 2HG1 VAL 14 -8.268 -10.461 1.778 96 HG13 VAL 14 3HG1 VAL 14 -8.958 -10.746 0.182 97 HG21 VAL 14 3HG2 VAL 14 -5.963 -9.791 -1.780 98 HG22 VAL 14 1HG2 VAL 14 -7.232 -8.637 -1.371 99 HG23 VAL 14 2HG2 VAL 14 -7.648 -10.276 -1.874 100 H ASP 15 H ASP 15 -4.235 -10.991 1.647 101 HA ASP 15 HA ASP 15 -1.819 -9.787 0.859 102 HB2 ASP 15 1HB ASP 15 -0.850 -12.035 1.277 103 HB3 ASP 15 2HB ASP 15 -1.960 -11.547 2.558 104 H GLY 16 H GLY 16 -0.476 -10.135 -0.891 105 HA2 GLY 16 1HA GLY 16 0.217 -10.921 -2.975 106 HA3 GLY 16 2HA GLY 16 -1.295 -11.801 -3.167 107 H GLU 17 H GLU 17 -2.514 -9.056 -2.213 108 HA GLU 17 HA GLU 17 -3.094 -8.071 -4.876 109 HB2 GLU 17 1HB GLU 17 -4.789 -8.107 -3.056 110 HB3 GLU 17 2HB GLU 17 -3.860 -6.913 -2.165 111 HG2 GLU 17 1HG GLU 17 -5.690 -5.803 -3.364 112 HG3 GLU 17 2HG GLU 17 -4.169 -5.301 -4.078 113 H ARG 18 H ARG 18 -2.469 -6.168 -5.799 114 HA ARG 18 HA ARG 18 0.014 -4.936 -4.824 115 HB2 ARG 18 1HB ARG 18 -0.318 -5.559 -7.228 116 HB3 ARG 18 2HB ARG 18 -1.606 -4.364 -7.349 117 HG2 ARG 18 1HG ARG 18 0.016 -2.564 -6.747 118 HG3 ARG 18 2HG ARG 18 1.295 -3.767 -6.614 119 HD2 ARG 18 1HD ARG 18 0.887 -4.369 -9.044 120 HD3 ARG 18 2HD ARG 18 -0.235 -3.009 -9.130 121 HE ARG 18 HE ARG 18 1.583 -1.551 -9.144 122 HH11 ARG 18 1HH2 ARG 18 2.603 -4.726 -8.140 123 HH12 ARG 18 2HH2 ARG 18 4.287 -4.325 -8.133 124 HH21 ARG 18 1HH1 ARG 18 3.788 -1.049 -9.129 125 HH22 ARG 18 2HH1 ARG 18 4.955 -2.248 -8.690 126 H VAL 19 H VAL 19 0.100 -2.977 -3.848 127 HA VAL 19 HA VAL 19 -2.228 -1.121 -3.919 128 HB VAL 19 HB VAL 19 -2.042 -0.753 -1.466 129 HG11 VAL 19 1HG1 VAL 19 -3.110 -2.866 -0.748 130 HG12 VAL 19 2HG1 VAL 19 -2.531 -3.670 -2.203 131 HG13 VAL 19 3HG1 VAL 19 -3.713 -2.370 -2.330 132 HG21 VAL 19 3HG2 VAL 19 0.299 -1.429 -1.097 133 HG22 VAL 19 1HG2 VAL 19 -0.080 -3.081 -1.564 134 HG23 VAL 19 2HG2 VAL 19 -0.755 -2.405 -0.086 135 H LEU 20 H LEU 20 -1.681 0.985 -2.999 136 HA LEU 20 HA LEU 20 1.119 1.775 -3.684 137 HB2 LEU 20 1HB LEU 20 -1.410 3.455 -3.837 138 HB3 LEU 20 2HB LEU 20 0.197 3.891 -4.408 139 HG LEU 20 HG LEU 20 -1.523 1.644 -5.535 140 HD11 LEU 20 1HD1 LEU 20 -1.757 3.089 -7.510 141 HD12 LEU 20 2HD1 LEU 20 -0.769 4.335 -6.743 142 HD13 LEU 20 3HD1 LEU 20 -2.347 3.925 -6.076 143 HD21 LEU 20 3HD2 LEU 20 0.265 1.720 -7.416 144 HD22 LEU 20 1HD2 LEU 20 0.755 0.972 -5.903 145 HD23 LEU 20 2HD2 LEU 20 1.269 2.618 -6.280 146 H CYS 21 H CYS 21 2.167 3.183 -2.378 147 HA CYS 21 HA CYS 21 0.941 3.842 0.285 148 HB2 CYS 21 1HB CYS 21 2.625 2.018 0.443 149 HB3 CYS 21 2HB CYS 21 3.835 3.083 -0.272 150 HG CYS 21 HG CYS 21 2.419 3.776 2.435 151 H PHE 22 H PHE 22 0.862 5.953 0.670 152 HA PHE 22 HA PHE 22 1.719 7.947 -1.063 153 HB2 PHE 22 1HB PHE 22 1.369 8.225 1.907 154 HB3 PHE 22 2HB PHE 22 1.313 9.537 0.732 155 HD1 PHE 22 HD2 PHE 22 -0.564 9.663 -0.952 156 HD2 PHE 22 HD1 PHE 22 -0.566 6.699 2.183 157 HE1 PHE 22 HE2 PHE 22 -2.965 9.215 -1.366 158 HE2 PHE 22 HE1 PHE 22 -2.968 6.259 1.752 159 HZ PHE 22 HZ PHE 22 -4.168 7.515 -0.020 160 H HIS 23 H HIS 23 3.181 7.191 2.089 161 HA HIS 23 HA HIS 23 5.250 7.675 2.980 162 HB2 HIS 23 1HB HIS 23 5.680 5.631 1.635 163 HB3 HIS 23 2HB HIS 23 6.085 6.631 0.248 164 HD1 HIS 23 HD1 HIS 23 7.311 5.875 3.760 165 HD2 HIS 23 HD2 HIS 23 8.714 7.553 0.213 166 HE1 HIS 23 HE1 HIS 23 9.786 6.293 4.096 167 HE2 HIS 23 HE2 HIS 23 10.656 7.318 1.942 168 H GLY 24 H GLY 24 4.492 10.023 2.675 169 HA2 GLY 24 1HA GLY 24 5.660 12.117 2.603 170 HA3 GLY 24 2HA GLY 24 6.560 11.566 1.201 171 HA PRO 25 HA PRO 25 2.855 14.196 -0.107 172 HB2 PRO 25 1HB PRO 25 4.189 16.047 -1.664 173 HB3 PRO 25 2HB PRO 25 4.019 16.221 0.099 174 HG2 PRO 25 1HG PRO 25 6.358 15.118 -1.465 175 HG3 PRO 25 2HG PRO 25 6.369 16.297 -0.132 176 HD2 PRO 25 1HD PRO 25 6.937 13.677 0.321 177 HD3 PRO 25 2HD PRO 25 6.041 14.622 1.529 178 H LEU 26 H LEU 26 4.545 11.828 -1.369 179 HA LEU 26 HA LEU 26 3.337 12.018 -4.110 180 HB2 LEU 26 1HB LEU 26 6.105 11.147 -3.243 181 HB3 LEU 26 2HB LEU 26 5.451 10.581 -4.769 182 HG LEU 26 HG LEU 26 5.467 13.582 -4.178 183 HD11 LEU 26 1HD1 LEU 26 7.808 12.008 -5.319 184 HD12 LEU 26 2HD1 LEU 26 7.788 12.863 -3.777 185 HD13 LEU 26 3HD1 LEU 26 7.681 13.769 -5.284 186 HD21 LEU 26 3HD2 LEU 26 4.236 12.644 -6.196 187 HD22 LEU 26 1HD2 LEU 26 5.767 12.022 -6.793 188 HD23 LEU 26 2HD2 LEU 26 5.520 13.759 -6.625 189 H ILE 27 H ILE 27 3.670 9.694 -5.116 190 HA ILE 27 HA ILE 27 2.528 7.667 -3.216 191 HB ILE 27 HB ILE 27 1.656 8.172 -6.093 192 HG12 ILE 27 1HG1 ILE 27 0.072 8.622 -3.509 193 HG13 ILE 27 2HG1 ILE 27 0.884 9.921 -4.373 194 HG21 ILE 27 1HG2 ILE 27 -0.119 6.483 -5.570 195 HG22 ILE 27 2HG2 ILE 27 0.610 6.240 -3.987 196 HG23 ILE 27 3HG2 ILE 27 1.484 5.778 -5.446 197 HD11 ILE 27 3HD1 ILE 27 -0.480 9.500 -6.372 198 HD12 ILE 27 1HD1 ILE 27 -1.508 9.804 -4.975 199 HD13 ILE 27 2HD1 ILE 27 -1.288 8.160 -5.560 200 H TYR 28 H TYR 28 3.487 5.772 -3.237 201 HA TYR 28 HA TYR 28 5.390 5.021 -5.433 202 HB2 TYR 28 1HB TYR 28 5.662 4.465 -2.446 203 HB3 TYR 28 2HB TYR 28 6.824 4.041 -3.710 204 HD1 TYR 28 HD1 TYR 28 5.132 6.896 -1.979 205 HD2 TYR 28 HD2 TYR 28 8.378 5.746 -4.588 206 HE1 TYR 28 HE1 TYR 28 6.120 9.164 -1.788 207 HE2 TYR 28 HE2 TYR 28 9.334 8.022 -4.393 208 HH TYR 28 HH TYR 28 8.210 10.444 -3.822 209 H GLU 29 H GLU 29 5.692 2.772 -5.734 210 HA GLU 29 HA GLU 29 3.213 1.231 -5.487 211 HB2 GLU 29 1HB GLU 29 5.886 0.678 -6.829 212 HB3 GLU 29 2HB GLU 29 4.531 -0.453 -6.869 213 HG2 GLU 29 1HG GLU 29 3.112 1.229 -7.967 214 HG3 GLU 29 2HG GLU 29 4.406 2.420 -7.865 215 H ALA 30 H ALA 30 2.856 -0.447 -4.200 216 HA ALA 30 HA ALA 30 5.003 -1.818 -2.724 217 HB1 ALA 30 3HB ALA 30 4.365 0.090 -1.263 218 HB2 ALA 30 1HB ALA 30 3.887 -1.452 -0.551 219 HB3 ALA 30 2HB ALA 30 2.680 -0.422 -1.327 220 H LYS 31 H LYS 31 3.938 -3.605 -1.371 221 HA LYS 31 HA LYS 31 1.452 -4.675 -2.608 222 HB2 LYS 31 1HB LYS 31 3.444 -5.548 -3.884 223 HB3 LYS 31 2HB LYS 31 4.017 -6.303 -2.398 224 HG2 LYS 31 1HG LYS 31 1.991 -7.700 -2.283 225 HG3 LYS 31 2HG LYS 31 1.291 -6.867 -3.668 226 HD2 LYS 31 1HD LYS 31 2.210 -9.030 -4.376 227 HD3 LYS 31 2HD LYS 31 3.123 -7.717 -5.115 228 HE2 LYS 31 1HE LYS 31 4.141 -8.898 -2.506 229 HE3 LYS 31 2HE LYS 31 4.434 -9.759 -4.015 230 HZ1 LYS 31 3HZ LYS 31 6.202 -8.415 -4.113 231 HZ2 LYS 31 1HZ LYS 31 5.531 -7.243 -3.088 232 HZ3 LYS 31 2HZ LYS 31 5.095 -7.283 -4.729 233 H VAL 32 H VAL 32 0.406 -6.277 -1.390 234 HA VAL 32 HA VAL 32 0.919 -6.109 1.528 235 HB VAL 32 HB VAL 32 -1.507 -7.332 0.107 236 HG11 VAL 32 1HG1 VAL 32 -1.201 -8.010 2.479 237 HG12 VAL 32 2HG1 VAL 32 -2.608 -6.966 2.305 238 HG13 VAL 32 3HG1 VAL 32 -1.100 -6.315 2.958 239 HG21 VAL 32 3HG2 VAL 32 -2.656 -5.183 0.542 240 HG22 VAL 32 1HG2 VAL 32 -1.272 -4.939 -0.510 241 HG23 VAL 32 2HG2 VAL 32 -1.166 -4.499 1.189 242 H LEU 33 H LEU 33 2.348 -7.633 2.176 243 HA LEU 33 HA LEU 33 2.520 -10.247 0.895 244 HB2 LEU 33 1HB LEU 33 4.391 -8.732 2.211 245 HB3 LEU 33 2HB LEU 33 3.955 -9.805 3.520 246 HG LEU 33 HG LEU 33 4.930 -10.681 0.764 247 HD11 LEU 33 1HD1 LEU 33 6.716 -9.696 2.138 248 HD12 LEU 33 2HD1 LEU 33 6.948 -11.435 1.979 249 HD13 LEU 33 3HD1 LEU 33 6.297 -10.766 3.478 250 HD21 LEU 33 3HD2 LEU 33 4.017 -12.275 3.201 251 HD22 LEU 33 1HD2 LEU 33 5.075 -12.972 1.972 252 HD23 LEU 33 2HD2 LEU 33 3.474 -12.421 1.529 253 H LYS 34 H LYS 34 1.363 -8.962 3.969 254 HA LYS 34 HA LYS 34 -0.322 -11.338 4.368 255 HB2 LYS 34 1HB LYS 34 1.846 -11.927 5.428 256 HB3 LYS 34 2HB LYS 34 1.744 -10.495 6.421 257 HG2 LYS 34 1HG LYS 34 -0.275 -11.333 7.538 258 HG3 LYS 34 2HG LYS 34 -0.341 -12.705 6.443 259 HD2 LYS 34 1HD LYS 34 0.585 -13.447 8.569 260 HD3 LYS 34 2HD LYS 34 1.866 -13.495 7.362 261 HE2 LYS 34 1HE LYS 34 2.525 -12.491 9.636 262 HE3 LYS 34 2HE LYS 34 2.900 -11.485 8.248 263 HZ1 LYS 34 3HZ LYS 34 1.619 -10.578 10.363 264 HZ2 LYS 34 1HZ LYS 34 0.276 -11.114 9.478 265 HZ3 LYS 34 2HZ LYS 34 1.332 -9.965 8.805 266 H THR 35 H THR 35 -1.914 -11.047 5.978 267 HA THR 35 HA THR 35 -2.382 -8.291 6.987 268 HB THR 35 HB THR 35 -3.543 -8.247 4.858 269 HG1 THR 35 HG1 THR 35 -4.695 -7.882 7.084 270 HG21 THR 35 3HG2 THR 35 -3.638 -10.633 4.336 271 HG22 THR 35 1HG2 THR 35 -5.265 -9.967 4.310 272 HG23 THR 35 2HG2 THR 35 -4.741 -10.924 5.679 273 H LYS 36 H LYS 36 -3.654 -8.181 8.778 274 HA LYS 36 HA LYS 36 -4.393 -10.811 10.045 275 HB2 LYS 36 1HB LYS 36 -2.573 -9.565 11.178 276 HB3 LYS 36 2HB LYS 36 -3.681 -8.242 11.453 277 HG2 LYS 36 1HG LYS 36 -5.165 -9.720 12.778 278 HG3 LYS 36 2HG LYS 36 -4.090 -11.080 12.454 279 HD2 LYS 36 1HD LYS 36 -2.251 -9.910 13.655 280 HD3 LYS 36 2HD LYS 36 -3.339 -8.564 13.997 281 HE2 LYS 36 1HE LYS 36 -3.194 -10.123 15.935 282 HE3 LYS 36 2HE LYS 36 -4.829 -10.078 15.276 283 HZ1 LYS 36 3HZ LYS 36 -4.509 -12.120 14.189 284 HZ2 LYS 36 1HZ LYS 36 -3.881 -12.348 15.750 285 HZ3 LYS 36 2HZ LYS 36 -2.829 -12.099 14.439 286 HA PRO 37 HA PRO 37 -8.380 -8.436 9.552 287 HB2 PRO 37 1HB PRO 37 -9.924 -10.270 8.343 288 HB3 PRO 37 2HB PRO 37 -8.593 -9.510 7.429 289 HG2 PRO 37 1HG PRO 37 -8.567 -12.167 8.883 290 HG3 PRO 37 2HG PRO 37 -8.138 -11.836 7.183 291 HD2 PRO 37 1HD PRO 37 -6.225 -11.951 9.147 292 HD3 PRO 37 2HD PRO 37 -6.053 -10.840 7.770 293 H ASP 38 H ASP 38 -7.260 -10.651 11.631 294 HA ASP 38 HA ASP 38 -9.614 -11.807 12.774 295 HB2 ASP 38 1HB ASP 38 -7.318 -12.726 13.086 296 HB3 ASP 38 2HB ASP 38 -6.900 -11.325 14.066 297 H ALA 39 H ALA 39 -8.874 -8.639 12.569 298 HA ALA 39 HA ALA 39 -10.646 -7.894 14.748 299 HB1 ALA 39 3HB ALA 39 -8.494 -8.163 15.951 300 HB2 ALA 39 1HB ALA 39 -9.027 -6.477 15.940 301 HB3 ALA 39 2HB ALA 39 -7.740 -7.009 14.853 302 H THR 40 H THR 40 -11.167 -5.645 14.757 303 HA THR 40 HA THR 40 -10.406 -4.078 12.361 304 HB THR 40 HB THR 40 -12.730 -3.576 11.813 305 HG1 THR 40 HG1 THR 40 -13.235 -5.333 13.980 306 HG21 THR 40 3HG2 THR 40 -11.590 -5.658 10.847 307 HG22 THR 40 1HG2 THR 40 -13.353 -5.735 10.882 308 HG23 THR 40 2HG2 THR 40 -12.414 -6.591 12.098 309 HA PRO 41 HA PRO 41 -9.667 -2.013 11.958 310 HB2 PRO 41 1HB PRO 41 -7.864 -0.185 12.850 311 HB3 PRO 41 2HB PRO 41 -9.540 0.277 12.458 312 HG2 PRO 41 1HG PRO 41 -8.360 -0.373 15.165 313 HG3 PRO 41 2HG PRO 41 -9.350 1.030 14.694 314 HD2 PRO 41 1HD PRO 41 -10.484 -1.141 15.916 315 HD3 PRO 41 2HD PRO 41 -11.368 -0.241 14.661 316 H VAL 42 H VAL 42 -7.156 -2.111 11.690 317 HA VAL 42 HA VAL 42 -5.639 -3.553 13.679 318 HB VAL 42 HB VAL 42 -7.236 -5.328 12.909 319 HG11 VAL 42 1HG1 VAL 42 -7.238 -6.160 10.640 320 HG12 VAL 42 2HG1 VAL 42 -5.828 -5.200 10.206 321 HG13 VAL 42 3HG1 VAL 42 -7.376 -4.411 10.506 322 HG21 VAL 42 3HG2 VAL 42 -5.614 -7.070 12.849 323 HG22 VAL 42 1HG2 VAL 42 -4.722 -5.775 13.623 324 HG23 VAL 42 2HG2 VAL 42 -4.476 -6.113 11.920 325 H GLU 43 H GLU 43 -3.601 -4.562 12.561 326 HA GLU 43 HA GLU 43 -2.450 -2.504 10.789 327 HB2 GLU 43 1HB GLU 43 -0.286 -3.528 11.499 328 HB3 GLU 43 2HB GLU 43 -1.231 -2.937 12.866 329 HG2 GLU 43 1HG GLU 43 -2.029 -5.240 13.321 330 HG3 GLU 43 2HG GLU 43 -1.090 -5.846 11.961 331 H TYR 44 H TYR 44 -1.021 -3.245 9.096 332 HA TYR 44 HA TYR 44 -1.663 -5.891 7.875 333 HB2 TYR 44 1HB TYR 44 -1.737 -3.179 6.488 334 HB3 TYR 44 2HB TYR 44 -1.900 -4.738 5.679 335 HD1 TYR 44 HD2 TYR 44 -3.508 -2.433 8.161 336 HD2 TYR 44 HD1 TYR 44 -4.005 -6.022 5.823 337 HE1 TYR 44 HE2 TYR 44 -5.916 -2.509 8.754 338 HE2 TYR 44 HE1 TYR 44 -6.403 -6.077 6.428 339 HH TYR 44 HH TYR 44 -8.136 -4.656 7.207 340 H TYR 45 H TYR 45 -0.087 -6.778 6.664 341 HA TYR 45 HA TYR 45 2.629 -5.784 7.195 342 HB2 TYR 45 1HB TYR 45 1.848 -8.235 7.369 343 HB3 TYR 45 2HB TYR 45 1.937 -8.276 5.619 344 HD1 TYR 45 HD2 TYR 45 4.145 -7.580 4.455 345 HD2 TYR 45 HD1 TYR 45 3.914 -8.457 8.673 346 HE1 TYR 45 HE2 TYR 45 6.591 -7.905 4.528 347 HE2 TYR 45 HE1 TYR 45 6.367 -8.780 8.720 348 HH TYR 45 HH TYR 45 8.228 -8.916 7.508 349 H ILE 46 H ILE 46 3.116 -4.109 5.910 350 HA ILE 46 HA ILE 46 2.825 -4.367 2.942 351 HB ILE 46 HB ILE 46 3.194 -1.821 4.599 352 HG12 ILE 46 1HG1 ILE 46 1.011 -2.774 5.173 353 HG13 ILE 46 2HG1 ILE 46 0.767 -1.401 4.110 354 HG21 ILE 46 1HG2 ILE 46 3.960 -1.585 2.263 355 HG22 ILE 46 2HG2 ILE 46 2.452 -0.706 2.479 356 HG23 ILE 46 3HG2 ILE 46 2.446 -2.274 1.671 357 HD11 ILE 46 3HD1 ILE 46 0.426 -4.339 3.504 358 HD12 ILE 46 1HD1 ILE 46 0.675 -3.194 2.184 359 HD13 ILE 46 2HD1 ILE 46 -0.709 -3.022 3.251 360 H HIS 47 H HIS 47 4.562 -4.130 1.683 361 HA HIS 47 HA HIS 47 7.192 -3.334 2.789 362 HB2 HIS 47 1HB HIS 47 8.305 -5.326 1.847 363 HB3 HIS 47 2HB HIS 47 7.105 -5.803 3.048 364 HD1 HIS 47 HD1 HIS 47 8.187 -6.721 -0.203 365 HD2 HIS 47 HD2 HIS 47 4.456 -6.319 1.590 366 HE1 HIS 47 HE1 HIS 47 6.559 -7.995 -1.661 367 HE2 HIS 47 HE2 HIS 47 4.262 -7.721 -0.608 368 H TYR 48 H TYR 48 8.534 -2.425 1.283 369 HA TYR 48 HA TYR 48 7.318 -1.385 -1.123 370 HB2 TYR 48 1HB TYR 48 10.168 -1.242 -0.066 371 HB3 TYR 48 2HB TYR 48 9.574 -0.332 -1.457 372 HD1 TYR 48 HD1 TYR 48 7.894 1.492 -1.176 373 HD2 TYR 48 HD2 TYR 48 9.406 -0.661 2.244 374 HE1 TYR 48 HE1 TYR 48 6.927 3.199 0.338 375 HE2 TYR 48 HE2 TYR 48 8.437 1.063 3.743 376 HH TYR 48 HH TYR 48 7.162 4.045 2.542 377 H ALA 49 H ALA 49 7.430 -2.145 -3.137 378 HA ALA 49 HA ALA 49 8.369 -4.774 -3.710 379 HB1 ALA 49 3HB ALA 49 7.567 -2.538 -5.609 380 HB2 ALA 49 1HB ALA 49 6.473 -3.719 -4.889 381 HB3 ALA 49 2HB ALA 49 7.710 -4.247 -6.034 382 H GLY 50 H GLY 50 10.173 -5.477 -4.809 383 HA2 GLY 50 1HA GLY 50 12.224 -5.435 -5.877 384 HA3 GLY 50 2HA GLY 50 12.112 -3.684 -6.026 385 H TRP 51 H TRP 51 11.634 -5.150 -2.916 386 HA TRP 51 HA TRP 51 14.436 -4.707 -2.054 387 HB2 TRP 51 1HB TRP 51 12.038 -3.344 -0.759 388 HB3 TRP 51 2HB TRP 51 13.688 -3.317 -0.136 389 HD1 TRP 51 HD1 TRP 51 11.459 -1.512 -2.526 390 HE1 TRP 51 HE1 TRP 51 12.810 0.239 -3.848 391 HE3 TRP 51 HE3 TRP 51 16.199 -2.941 -1.284 392 HZ2 TRP 51 HZ2 TRP 51 15.539 0.937 -4.324 393 HZ3 TRP 51 HZ3 TRP 51 18.159 -1.720 -2.185 394 HH2 TRP 51 HH2 TRP 51 17.836 0.218 -3.704 395 H SER 52 H SER 52 14.803 -5.442 0.155 396 HA SER 52 HA SER 52 13.821 -8.102 0.512 397 HB2 SER 52 1HB SER 52 15.217 -8.120 2.520 398 HB3 SER 52 2HB SER 52 16.092 -7.326 1.208 399 HG SER 52 HG SER 52 16.056 -5.538 2.309 400 H LYS 53 H LYS 53 12.582 -8.931 2.222 401 HA LYS 53 HA LYS 53 10.397 -7.224 3.128 402 HB2 LYS 53 1HB LYS 53 9.387 -9.329 3.930 403 HB3 LYS 53 2HB LYS 53 9.878 -9.441 2.235 404 HG2 LYS 53 1HG LYS 53 11.961 -10.613 2.919 405 HG3 LYS 53 2HG LYS 53 11.452 -10.532 4.608 406 HD2 LYS 53 1HD LYS 53 9.429 -11.868 4.077 407 HD3 LYS 53 2HD LYS 53 9.914 -11.939 2.381 408 HE2 LYS 53 1HE LYS 53 10.554 -14.015 3.584 409 HE3 LYS 53 2HE LYS 53 11.982 -13.147 3.016 410 HZ1 LYS 53 3HZ LYS 53 12.275 -12.204 5.189 411 HZ2 LYS 53 1HZ LYS 53 12.181 -13.891 5.331 412 HZ3 LYS 53 2HZ LYS 53 10.844 -12.929 5.752 413 H ASN 54 H ASN 54 13.417 -7.780 4.324 414 HA ASN 54 HA ASN 54 12.957 -8.301 7.086 415 HB2 ASN 54 1HB ASN 54 15.280 -6.825 5.779 416 HB3 ASN 54 2HB ASN 54 15.277 -7.536 7.397 417 HD21 ASN 54 2HD2 ASN 54 16.850 -8.212 4.816 418 HD22 ASN 54 1HD2 ASN 54 16.615 -9.883 4.635 419 H TRP 55 H TRP 55 12.426 -5.538 5.161 420 HA TRP 55 HA TRP 55 12.812 -3.452 7.069 421 HB2 TRP 55 1HB TRP 55 11.082 -3.697 4.574 422 HB3 TRP 55 2HB TRP 55 11.190 -2.201 5.500 423 HD1 TRP 55 HD1 TRP 55 13.739 -4.716 3.985 424 HE1 TRP 55 HE1 TRP 55 15.654 -3.363 2.923 425 HE3 TRP 55 HE3 TRP 55 12.178 0.023 5.077 426 HZ2 TRP 55 HZ2 TRP 55 16.424 -0.632 2.579 427 HZ3 TRP 55 HZ3 TRP 55 13.522 1.983 4.372 428 HH2 TRP 55 HH2 TRP 55 15.643 1.662 3.125 429 H ASP 56 H ASP 56 10.164 -5.632 6.364 430 HA ASP 56 HA ASP 56 8.029 -5.846 7.231 431 HB2 ASP 56 1HB ASP 56 9.632 -7.033 8.741 432 HB3 ASP 56 2HB ASP 56 9.657 -5.621 9.790 433 H GLU 57 H GLU 57 7.363 -3.629 6.479 434 HA GLU 57 HA GLU 57 7.113 -1.588 8.619 435 HB2 GLU 57 1HB GLU 57 7.886 -0.957 6.314 436 HB3 GLU 57 2HB GLU 57 6.304 -1.410 5.681 437 HG2 GLU 57 1HG GLU 57 5.236 0.283 7.143 438 HG3 GLU 57 2HG GLU 57 6.801 0.718 7.816 439 H TRP 58 H TRP 58 5.520 -2.328 9.970 440 HA TRP 58 HA TRP 58 2.920 -3.246 8.969 441 HB2 TRP 58 1HB TRP 58 4.282 -3.080 11.664 442 HB3 TRP 58 2HB TRP 58 2.528 -2.991 11.689 443 HD1 TRP 58 HD1 TRP 58 1.409 -5.053 9.961 444 HE1 TRP 58 HE1 TRP 58 1.958 -7.566 10.115 445 HE3 TRP 58 HE3 TRP 58 5.888 -4.837 12.417 446 HZ2 TRP 58 HZ2 TRP 58 4.005 -9.266 11.132 447 HZ3 TRP 58 HZ3 TRP 58 7.114 -6.924 12.973 448 HH2 TRP 58 HH2 TRP 58 6.180 -9.135 12.337 449 H VAL 59 H VAL 59 1.239 -1.936 8.603 450 HA VAL 59 HA VAL 59 1.031 0.661 9.994 451 HB VAL 59 HB VAL 59 0.476 1.680 7.587 452 HG11 VAL 59 1HG1 VAL 59 2.367 2.467 8.959 453 HG12 VAL 59 2HG1 VAL 59 2.846 2.343 7.267 454 HG13 VAL 59 3HG1 VAL 59 3.337 1.103 8.415 455 HG21 VAL 59 3HG2 VAL 59 1.712 0.672 5.739 456 HG22 VAL 59 1HG2 VAL 59 0.631 -0.542 6.423 457 HG23 VAL 59 2HG2 VAL 59 2.358 -0.585 6.793 458 HA PRO 60 HA PRO 60 -3.312 -0.314 9.933 459 HB2 PRO 60 1HB PRO 60 -4.476 2.124 10.288 460 HB3 PRO 60 2HB PRO 60 -3.432 1.425 11.552 461 HG2 PRO 60 1HG PRO 60 -2.635 3.365 9.359 462 HG3 PRO 60 2HG PRO 60 -2.430 3.558 11.121 463 HD2 PRO 60 1HD PRO 60 -0.383 2.630 9.646 464 HD3 PRO 60 2HD PRO 60 -0.727 1.875 11.222 465 H GLU 61 H GLU 61 -5.246 -0.141 8.667 466 HA GLU 61 HA GLU 61 -4.971 -0.129 5.901 467 HB2 GLU 61 1HB GLU 61 -7.490 0.056 5.850 468 HB3 GLU 61 2HB GLU 61 -6.902 -1.170 6.965 469 HG2 GLU 61 1HG GLU 61 -7.150 0.429 8.860 470 HG3 GLU 61 2HG GLU 61 -7.759 1.649 7.746 471 H ASN 62 H ASN 62 -5.229 2.556 8.019 472 HA ASN 62 HA ASN 62 -6.376 4.502 6.312 473 HB2 ASN 62 1HB ASN 62 -4.366 4.900 8.554 474 HB3 ASN 62 2HB ASN 62 -5.394 6.146 7.862 475 HD21 ASN 62 2HD2 ASN 62 -5.286 4.808 10.665 476 HD22 ASN 62 1HD2 ASN 62 -6.902 4.371 10.953 477 H ARG 63 H ARG 63 -2.976 3.528 6.775 478 HA ARG 63 HA ARG 63 -2.019 5.502 4.836 479 HB2 ARG 63 1HB ARG 63 -0.808 4.569 7.029 480 HB3 ARG 63 2HB ARG 63 -0.308 3.263 5.973 481 HG2 ARG 63 1HG ARG 63 1.516 4.753 5.687 482 HG3 ARG 63 2HG ARG 63 0.489 5.258 4.349 483 HD2 ARG 63 1HD ARG 63 -0.488 7.041 5.890 484 HD3 ARG 63 2HD ARG 63 0.738 6.596 7.072 485 HE ARG 63 HE ARG 63 2.000 7.130 4.592 486 HH11 ARG 63 1HH2 ARG 63 0.264 8.752 7.142 487 HH12 ARG 63 2HH2 ARG 63 1.053 10.272 6.889 488 HH21 ARG 63 1HH1 ARG 63 3.015 9.135 4.272 489 HH22 ARG 63 2HH1 ARG 63 2.601 10.486 5.271 490 H VAL 64 H VAL 64 -3.518 2.573 4.527 491 HA VAL 64 HA VAL 64 -1.919 1.637 2.205 492 HB VAL 64 HB VAL 64 -4.357 0.353 3.534 493 HG11 VAL 64 1HG1 VAL 64 -3.590 -1.686 2.297 494 HG12 VAL 64 2HG1 VAL 64 -2.329 -0.729 1.517 495 HG13 VAL 64 3HG1 VAL 64 -4.022 -0.391 1.185 496 HG21 VAL 64 3HG2 VAL 64 -2.684 -1.178 4.561 497 HG22 VAL 64 1HG2 VAL 64 -2.411 0.485 5.071 498 HG23 VAL 64 2HG2 VAL 64 -1.380 -0.233 3.840 499 H LEU 65 H LEU 65 -2.522 2.027 0.185 500 HA LEU 65 HA LEU 65 -5.274 3.053 -0.375 501 HB2 LEU 65 1HB LEU 65 -3.521 4.823 -0.560 502 HB3 LEU 65 2HB LEU 65 -2.706 3.858 -1.780 503 HG LEU 65 HG LEU 65 -4.774 4.018 -3.227 504 HD11 LEU 65 1HD1 LEU 65 -5.817 5.705 -0.918 505 HD12 LEU 65 2HD1 LEU 65 -6.620 4.374 -1.750 506 HD13 LEU 65 3HD1 LEU 65 -6.435 5.914 -2.555 507 HD21 LEU 65 3HD2 LEU 65 -4.489 6.423 -3.821 508 HD22 LEU 65 1HD2 LEU 65 -2.942 5.621 -3.559 509 HD23 LEU 65 2HD2 LEU 65 -3.613 6.675 -2.319 510 H LYS 66 H LYS 66 -6.413 1.997 -1.831 511 HA LYS 66 HA LYS 66 -5.467 -0.457 -2.949 512 HB2 LYS 66 1HB LYS 66 -7.773 -0.252 -4.247 513 HB3 LYS 66 2HB LYS 66 -7.778 -0.514 -2.508 514 HG2 LYS 66 1HG LYS 66 -9.406 1.239 -3.230 515 HG3 LYS 66 2HG LYS 66 -8.236 1.846 -2.063 516 HD2 LYS 66 1HD LYS 66 -6.993 3.011 -3.787 517 HD3 LYS 66 2HD LYS 66 -7.896 2.214 -5.077 518 HE2 LYS 66 1HE LYS 66 -8.674 4.554 -4.710 519 HE3 LYS 66 2HE LYS 66 -9.952 3.392 -4.357 520 HZ1 LYS 66 3HZ LYS 66 -8.427 3.810 -2.035 521 HZ2 LYS 66 1HZ LYS 66 -10.064 4.157 -2.301 522 HZ3 LYS 66 2HZ LYS 66 -8.880 5.323 -2.659 523 H TYR 67 H TYR 67 -5.537 -1.002 -5.246 524 HA TYR 67 HA TYR 67 -4.075 1.011 -6.842 525 HB2 TYR 67 1HB TYR 67 -3.244 -1.332 -6.642 526 HB3 TYR 67 2HB TYR 67 -4.711 -1.921 -7.416 527 HD1 TYR 67 HD1 TYR 67 -1.705 0.278 -7.911 528 HD2 TYR 67 HD2 TYR 67 -4.935 -1.813 -9.865 529 HE1 TYR 67 HE1 TYR 67 -0.707 0.781 -10.125 530 HE2 TYR 67 HE2 TYR 67 -3.916 -1.307 -12.065 531 HH TYR 67 HH TYR 67 -0.786 -0.241 -12.457 532 H ASN 68 H ASN 68 -5.151 2.291 -8.158 533 HA ASN 68 HA ASN 68 -7.343 1.301 -9.846 534 HB2 ASN 68 1HB ASN 68 -8.444 2.023 -7.704 535 HB3 ASN 68 2HB ASN 68 -7.806 3.645 -7.942 536 HD21 ASN 68 2HD2 ASN 68 -10.685 2.582 -7.978 537 HD22 ASN 68 1HD2 ASN 68 -11.314 3.119 -9.460 538 H ASP 69 H ASP 69 -7.285 2.249 -11.778 539 HA ASP 69 HA ASP 69 -5.250 3.786 -12.741 540 HB2 ASP 69 1HB ASP 69 -8.123 3.825 -13.697 541 HB3 ASP 69 2HB ASP 69 -6.719 4.315 -14.652 542 H ASP 70 H ASP 70 -7.749 4.890 -10.685 543 HA ASP 70 HA ASP 70 -7.717 7.693 -11.467 544 HB2 ASP 70 1HB ASP 70 -8.784 6.382 -8.934 545 HB3 ASP 70 2HB ASP 70 -9.128 8.024 -9.487 546 H ASN 71 H ASN 71 -6.437 5.860 -8.651 547 HA ASN 71 HA ASN 71 -5.040 8.127 -7.551 548 HB2 ASN 71 1HB ASN 71 -3.854 6.385 -6.172 549 HB3 ASN 71 2HB ASN 71 -5.610 6.305 -6.060 550 HD21 ASN 71 2HD2 ASN 71 -6.245 4.154 -6.051 551 HD22 ASN 71 1HD2 ASN 71 -5.534 2.931 -6.979 552 H VAL 72 H VAL 72 -4.290 5.646 -9.889 553 HA VAL 72 HA VAL 72 -1.452 6.036 -10.031 554 HB VAL 72 HB VAL 72 -3.404 5.165 -12.188 555 HG11 VAL 72 1HG1 VAL 72 -1.357 4.140 -13.291 556 HG12 VAL 72 2HG1 VAL 72 -0.361 4.994 -12.112 557 HG13 VAL 72 3HG1 VAL 72 -1.323 5.901 -13.278 558 HG21 VAL 72 3HG2 VAL 72 -3.370 3.638 -10.249 559 HG22 VAL 72 1HG2 VAL 72 -1.617 3.540 -10.337 560 HG23 VAL 72 2HG2 VAL 72 -2.614 2.864 -11.626 561 H LYS 73 H LYS 73 -4.226 7.518 -11.672 562 HA LYS 73 HA LYS 73 -2.847 9.268 -13.407 563 HB2 LYS 73 1HB LYS 73 -5.278 8.668 -13.536 564 HB3 LYS 73 2HB LYS 73 -5.577 9.658 -12.117 565 HG2 LYS 73 1HG LYS 73 -4.747 11.667 -13.332 566 HG3 LYS 73 2HG LYS 73 -4.459 10.665 -14.758 567 HD2 LYS 73 1HD LYS 73 -6.886 10.097 -14.844 568 HD3 LYS 73 2HD LYS 73 -7.169 11.111 -13.424 569 HE2 LYS 73 1HE LYS 73 -7.729 12.339 -15.497 570 HE3 LYS 73 2HE LYS 73 -6.347 13.090 -14.695 571 HZ1 LYS 73 3HZ LYS 73 -6.356 12.421 -17.259 572 HZ2 LYS 73 1HZ LYS 73 -5.743 10.981 -16.602 573 HZ3 LYS 73 2HZ LYS 73 -4.943 12.453 -16.316 574 H ARG 74 H ARG 74 -3.915 9.614 -10.044 575 HA ARG 74 HA ARG 74 -3.250 12.370 -9.739 576 HB2 ARG 74 1HB ARG 74 -3.465 10.145 -7.673 577 HB3 ARG 74 2HB ARG 74 -3.203 11.840 -7.252 578 HG2 ARG 74 1HG ARG 74 -5.324 12.458 -8.395 579 HG3 ARG 74 2HG ARG 74 -5.598 10.762 -8.798 580 HD2 ARG 74 1HD ARG 74 -6.884 11.388 -6.789 581 HD3 ARG 74 2HD ARG 74 -5.642 10.210 -6.368 582 HE ARG 74 HE ARG 74 -4.595 12.820 -6.058 583 HH11 ARG 74 1HH2 ARG 74 -6.920 10.666 -4.614 584 HH12 ARG 74 2HH2 ARG 74 -6.753 11.347 -3.032 585 HH21 ARG 74 1HH1 ARG 74 -4.385 13.688 -3.994 586 HH22 ARG 74 2HH1 ARG 74 -5.320 13.055 -2.684 587 H ARG 75 H ARG 75 -1.374 9.391 -9.394 588 HA ARG 75 HA ARG 75 0.974 10.590 -8.288 589 HB2 ARG 75 1HB ARG 75 0.538 8.135 -8.267 590 HB3 ARG 75 2HB ARG 75 0.756 8.086 -10.007 591 HG2 ARG 75 1HG ARG 75 3.093 8.874 -9.775 592 HG3 ARG 75 2HG ARG 75 2.891 9.004 -8.032 593 HD2 ARG 75 1HD ARG 75 2.490 6.567 -7.896 594 HD3 ARG 75 2HD ARG 75 2.643 6.439 -9.653 595 HE ARG 75 HE ARG 75 4.950 7.663 -8.403 596 HH11 ARG 75 1HH2 ARG 75 3.414 4.658 -9.222 597 HH12 ARG 75 2HH2 ARG 75 4.886 3.746 -9.199 598 HH21 ARG 75 1HH1 ARG 75 6.876 6.460 -8.383 599 HH22 ARG 75 2HH1 ARG 75 6.839 4.764 -8.727 600 H GLN 76 H GLN 76 -0.164 9.981 -11.577 601 HA GLN 76 HA GLN 76 2.160 10.961 -12.937 602 HB2 GLN 76 1HB GLN 76 -0.732 10.654 -13.842 603 HB3 GLN 76 2HB GLN 76 0.590 11.084 -14.924 604 HG2 GLN 76 1HG GLN 76 0.482 8.514 -13.282 605 HG3 GLN 76 2HG GLN 76 0.031 8.626 -14.977 606 HE21 GLN 76 2HE2 GLN 76 2.518 7.539 -13.160 607 HE22 GLN 76 1HE2 GLN 76 3.826 7.888 -14.183 608 H GLU 77 H GLU 77 -0.812 12.383 -11.709 609 HA GLU 77 HA GLU 77 -0.496 14.990 -12.876 610 HB2 GLU 77 1HB GLU 77 -2.626 14.058 -11.819 611 HB3 GLU 77 2HB GLU 77 -1.891 14.334 -10.243 612 HG2 GLU 77 1HG GLU 77 -1.668 16.752 -10.767 613 HG3 GLU 77 2HG GLU 77 -2.429 16.477 -12.333 614 H LEU 78 H LEU 78 0.203 13.693 -9.648 615 HA LEU 78 HA LEU 78 1.486 15.948 -8.561 616 HB2 LEU 78 1HB LEU 78 1.725 12.989 -7.979 617 HB3 LEU 78 2HB LEU 78 2.506 14.202 -6.971 618 HG LEU 78 HG LEU 78 -0.514 14.331 -7.478 619 HD11 LEU 78 1HD1 LEU 78 -0.089 12.078 -6.576 620 HD12 LEU 78 2HD1 LEU 78 -0.865 13.080 -5.353 621 HD13 LEU 78 3HD1 LEU 78 0.870 12.763 -5.263 622 HD21 LEU 78 3HD2 LEU 78 -0.515 15.535 -5.296 623 HD22 LEU 78 1HD2 LEU 78 0.574 16.331 -6.421 624 HD23 LEU 78 2HD2 LEU 78 1.226 15.303 -5.156 625 H ALA 79 H ALA 79 2.766 13.168 -10.340 626 HA ALA 79 HA ALA 79 5.524 13.821 -10.104 627 HB1 ALA 79 3HB ALA 79 5.847 12.259 -11.979 628 HB2 ALA 79 1HB ALA 79 4.118 12.289 -12.312 629 HB3 ALA 79 2HB ALA 79 4.707 11.592 -10.805 630 H ARG 80 H ARG 80 3.030 14.695 -12.431 631 HA ARG 80 HA ARG 80 4.766 16.165 -14.185 632 HB2 ARG 80 1HB ARG 80 2.489 15.093 -14.745 633 HB3 ARG 80 2HB ARG 80 1.738 16.445 -13.919 634 HG2 ARG 80 1HG ARG 80 1.755 17.259 -16.136 635 HG3 ARG 80 2HG ARG 80 3.296 17.896 -15.580 636 HD2 ARG 80 1HD ARG 80 4.395 15.781 -16.515 637 HD3 ARG 80 2HD ARG 80 2.840 15.374 -17.222 638 HE ARG 80 HE ARG 80 3.537 18.004 -18.007 639 HH11 ARG 80 1HH2 ARG 80 4.531 14.698 -18.471 640 HH12 ARG 80 2HH2 ARG 80 5.202 14.983 -20.042 641 HH21 ARG 80 1HH1 ARG 80 4.435 18.358 -20.068 642 HH22 ARG 80 2HH1 ARG 80 5.149 17.042 -20.937 643 H GLN 81 H GLN 81 2.574 16.967 -11.541 644 HA GLN 81 HA GLN 81 2.748 19.786 -11.712 645 HB2 GLN 81 1HB GLN 81 1.033 18.431 -10.408 646 HB3 GLN 81 2HB GLN 81 2.274 18.131 -9.195 647 HG2 GLN 81 1HG GLN 81 2.509 20.591 -8.854 648 HG3 GLN 81 2HG GLN 81 1.246 20.863 -10.049 649 HE21 GLN 81 2HE2 GLN 81 1.111 21.667 -7.237 650 HE22 GLN 81 1HE2 GLN 81 -0.192 20.827 -6.546 651 H CYS 82 H CYS 82 4.656 17.372 -9.955 652 HA CYS 82 HA CYS 82 6.286 19.134 -8.467 653 HB2 CYS 82 1HB CYS 82 6.028 16.711 -7.994 654 HB3 CYS 82 2HB CYS 82 6.909 16.333 -9.473 655 HG CYS 82 HG CYS 82 8.191 17.825 -7.035 656 H GLY 83 H GLY 83 6.285 18.210 -11.802 657 HA2 GLY 83 1HA GLY 83 7.459 19.061 -13.581 658 HA3 GLY 83 2HA GLY 83 8.370 20.092 -12.482 659 H GLU 84 H GLU 84 9.952 19.231 -14.259 660 HA GLU 84 HA GLU 84 10.991 16.605 -14.134 661 HB2 GLU 84 1HB GLU 84 12.971 17.606 -15.289 662 HB3 GLU 84 2HB GLU 84 11.442 18.082 -16.028 663 HG2 GLU 84 1HG GLU 84 11.507 20.241 -14.806 664 HG3 GLU 84 2HG GLU 84 13.033 19.781 -14.058 665 H ARG 85 H ARG 85 13.251 16.116 -13.443 666 HA ARG 85 HA ARG 85 14.491 17.565 -11.295 667 HB2 ARG 85 1HB ARG 85 12.508 16.596 -10.103 668 HB3 ARG 85 2HB ARG 85 13.044 14.978 -10.554 669 HG2 ARG 85 1HG ARG 85 15.162 15.320 -9.297 670 HG3 ARG 85 2HG ARG 85 14.651 16.953 -8.871 671 HD2 ARG 85 1HD ARG 85 13.190 14.399 -8.086 672 HD3 ARG 85 2HD ARG 85 14.235 15.337 -7.018 673 HE ARG 85 HE ARG 85 11.511 15.942 -7.722 674 HH11 ARG 85 1HH2 ARG 85 14.567 17.366 -6.848 675 HH12 ARG 85 2HH2 ARG 85 13.857 18.832 -6.261 676 HH21 ARG 85 1HH1 ARG 85 10.605 17.858 -6.945 677 HH22 ARG 85 2HH1 ARG 85 11.623 19.110 -6.319 Start of MODEL 6 1 H1 MET 1 1H MET 1 -31.335 -25.485 1.924 2 H2 MET 1 2H MET 1 -32.233 -24.348 1.037 3 H3 MET 1 3H MET 1 -31.447 -23.883 2.470 4 HA MET 1 HA MET 1 -30.340 -24.354 -0.201 5 HB2 MET 1 1HB MET 1 -29.753 -22.424 2.084 6 HB3 MET 1 2HB MET 1 -28.954 -22.386 0.513 7 HG2 MET 1 1HG MET 1 -31.154 -22.003 -0.590 8 HG3 MET 1 2HG MET 1 -31.938 -22.025 0.987 9 HE1 MET 1 3HE MET 1 -29.326 -18.714 -0.827 10 HE2 MET 1 1HE MET 1 -30.443 -19.780 -1.686 11 HE3 MET 1 2HE MET 1 -28.967 -20.429 -0.983 12 H ASN 2 H ASN 2 -27.739 -24.033 0.132 13 HA ASN 2 HA ASN 2 -26.522 -25.480 2.284 14 HB2 ASN 2 1HB ASN 2 -25.821 -27.487 0.984 15 HB3 ASN 2 2HB ASN 2 -27.569 -27.420 1.183 16 HD21 ASN 2 2HD2 ASN 2 -25.413 -28.265 -1.106 17 HD22 ASN 2 1HD2 ASN 2 -26.233 -27.762 -2.506 18 H TYR 3 H TYR 3 -26.206 -23.023 0.668 19 HA TYR 3 HA TYR 3 -23.324 -23.139 0.315 20 HB2 TYR 3 1HB TYR 3 -23.341 -22.418 -2.054 21 HB3 TYR 3 2HB TYR 3 -24.059 -24.017 -1.867 22 HD1 TYR 3 HD2 TYR 3 -24.808 -20.409 -2.463 23 HD2 TYR 3 HD1 TYR 3 -26.479 -24.383 -2.255 24 HE1 TYR 3 HE2 TYR 3 -26.916 -19.588 -3.477 25 HE2 TYR 3 HE1 TYR 3 -28.578 -23.541 -3.269 26 HH TYR 3 HH TYR 3 -29.620 -21.805 -4.167 27 H SER 4 H SER 4 -22.437 -21.011 -0.227 28 HA SER 4 HA SER 4 -24.101 -18.638 0.000 29 HB2 SER 4 1HB SER 4 -23.167 -17.854 2.129 30 HB3 SER 4 2HB SER 4 -23.961 -19.409 2.373 31 HG SER 4 HG SER 4 -22.092 -19.955 3.173 32 H THR 5 H THR 5 -22.805 -16.671 -0.068 33 HA THR 5 HA THR 5 -20.782 -16.776 -2.036 34 HB THR 5 HB THR 5 -21.336 -14.490 -0.097 35 HG1 THR 5 HG1 THR 5 -22.512 -14.736 -2.619 36 HG21 THR 5 3HG2 THR 5 -20.269 -14.526 -2.949 37 HG22 THR 5 1HG2 THR 5 -19.322 -14.166 -1.503 38 HG23 THR 5 2HG2 THR 5 -20.614 -13.078 -2.005 39 H GLY 6 H GLY 6 -20.617 -16.340 1.475 40 HA2 GLY 6 1HA GLY 6 -18.904 -16.612 2.990 41 HA3 GLY 6 2HA GLY 6 -18.108 -17.618 1.784 42 H THR 7 H THR 7 -18.873 -14.174 2.281 43 HA THR 7 HA THR 7 -16.739 -13.133 0.742 44 HB THR 7 HB THR 7 -18.440 -11.545 1.237 45 HG1 THR 7 HG1 THR 7 -17.323 -9.958 2.147 46 HG21 THR 7 3HG2 THR 7 -19.156 -11.037 3.600 47 HG22 THR 7 1HG2 THR 7 -18.206 -12.413 4.152 48 HG23 THR 7 2HG2 THR 7 -19.580 -12.664 3.076 49 H ASP 8 H ASP 8 -14.892 -14.343 1.267 50 HA ASP 8 HA ASP 8 -13.803 -14.691 3.841 51 HB2 ASP 8 1HB ASP 8 -13.158 -15.984 1.814 52 HB3 ASP 8 2HB ASP 8 -12.350 -14.561 1.168 53 H ALA 9 H ALA 9 -12.119 -13.624 4.915 54 HA ALA 9 HA ALA 9 -11.056 -11.791 5.784 55 HB1 ALA 9 3HB ALA 9 -10.666 -11.106 2.845 56 HB2 ALA 9 1HB ALA 9 -9.636 -12.179 3.791 57 HB3 ALA 9 2HB ALA 9 -9.727 -10.463 4.193 58 H ASN 10 H ASN 10 -12.522 -10.532 6.845 59 HA ASN 10 HA ASN 10 -14.637 -9.053 5.681 60 HB2 ASN 10 1HB ASN 10 -13.215 -8.574 8.329 61 HB3 ASN 10 2HB ASN 10 -14.806 -7.953 7.885 62 HD21 ASN 10 2HD2 ASN 10 -13.833 -10.029 9.996 63 HD22 ASN 10 1HD2 ASN 10 -14.868 -11.351 9.744 64 H THR 11 H THR 11 -11.278 -8.257 6.334 65 HA THR 11 HA THR 11 -11.417 -5.445 6.003 66 HB THR 11 HB THR 11 -8.980 -5.590 5.586 67 HG1 THR 11 HG1 THR 11 -8.115 -7.772 5.557 68 HG21 THR 11 3HG2 THR 11 -9.795 -5.811 7.920 69 HG22 THR 11 1HG2 THR 11 -8.346 -6.785 7.659 70 HG23 THR 11 2HG2 THR 11 -9.928 -7.560 7.708 71 H LEU 12 H LEU 12 -10.667 -4.197 4.177 72 HA LEU 12 HA LEU 12 -11.811 -5.137 1.640 73 HB2 LEU 12 1HB LEU 12 -10.739 -2.488 2.668 74 HB3 LEU 12 2HB LEU 12 -11.056 -2.704 0.946 75 HG LEU 12 HG LEU 12 -13.424 -3.265 1.439 76 HD11 LEU 12 1HD1 LEU 12 -14.283 -2.825 3.809 77 HD12 LEU 12 2HD1 LEU 12 -12.600 -2.846 4.341 78 HD13 LEU 12 3HD1 LEU 12 -13.320 -4.283 3.614 79 HD21 LEU 12 3HD2 LEU 12 -12.508 -0.674 2.752 80 HD22 LEU 12 1HD2 LEU 12 -14.142 -1.005 2.174 81 HD23 LEU 12 2HD2 LEU 12 -12.805 -0.904 1.029 82 H PHE 13 H PHE 13 -8.794 -5.322 3.113 83 HA PHE 13 HA PHE 13 -7.293 -5.420 0.526 84 HB2 PHE 13 1HB PHE 13 -6.305 -5.142 3.395 85 HB3 PHE 13 2HB PHE 13 -5.284 -5.171 1.955 86 HD1 PHE 13 HD2 PHE 13 -5.402 -3.309 0.264 87 HD2 PHE 13 HD1 PHE 13 -7.636 -3.126 3.953 88 HE1 PHE 13 HE2 PHE 13 -5.799 -0.885 -0.082 89 HE2 PHE 13 HE1 PHE 13 -8.028 -0.708 3.584 90 HZ PHE 13 HZ PHE 13 -7.109 0.413 1.573 91 H VAL 14 H VAL 14 -6.318 -7.248 -0.092 92 HA VAL 14 HA VAL 14 -6.478 -9.700 1.633 93 HB VAL 14 HB VAL 14 -6.883 -9.553 -1.385 94 HG11 VAL 14 1HG1 VAL 14 -7.189 -11.851 0.598 95 HG12 VAL 14 2HG1 VAL 14 -5.934 -11.719 -0.634 96 HG13 VAL 14 3HG1 VAL 14 -7.612 -11.928 -1.113 97 HG21 VAL 14 3HG2 VAL 14 -8.790 -8.526 -0.177 98 HG22 VAL 14 1HG2 VAL 14 -8.913 -9.951 0.857 99 HG23 VAL 14 2HG2 VAL 14 -9.263 -10.075 -0.868 100 H ASP 15 H ASP 15 -4.746 -11.058 1.588 101 HA ASP 15 HA ASP 15 -2.189 -10.044 1.116 102 HB2 ASP 15 1HB ASP 15 -1.423 -12.364 1.515 103 HB3 ASP 15 2HB ASP 15 -2.677 -11.898 2.664 104 H GLY 16 H GLY 16 -0.764 -10.160 -0.553 105 HA2 GLY 16 1HA GLY 16 0.176 -10.870 -2.591 106 HA3 GLY 16 2HA GLY 16 -1.262 -11.805 -2.951 107 H GLU 17 H GLU 17 -2.490 -8.992 -1.960 108 HA GLU 17 HA GLU 17 -3.113 -8.060 -4.636 109 HB2 GLU 17 1HB GLU 17 -4.753 -8.051 -2.756 110 HB3 GLU 17 2HB GLU 17 -3.796 -6.821 -1.936 111 HG2 GLU 17 1HG GLU 17 -4.156 -5.257 -3.826 112 HG3 GLU 17 2HG GLU 17 -5.051 -6.497 -4.696 113 H ARG 18 H ARG 18 -2.274 -6.356 -5.696 114 HA ARG 18 HA ARG 18 0.130 -5.030 -4.666 115 HB2 ARG 18 1HB ARG 18 -0.018 -5.842 -7.016 116 HB3 ARG 18 2HB ARG 18 -1.322 -4.701 -7.328 117 HG2 ARG 18 1HG ARG 18 0.184 -2.796 -6.863 118 HG3 ARG 18 2HG ARG 18 1.486 -3.901 -6.423 119 HD2 ARG 18 1HD ARG 18 0.191 -3.778 -9.177 120 HD3 ARG 18 2HD ARG 18 1.724 -3.017 -8.753 121 HE ARG 18 HE ARG 18 1.897 -5.726 -8.034 122 HH11 ARG 18 1HH2 ARG 18 1.591 -3.771 -10.894 123 HH12 ARG 18 2HH2 ARG 18 2.419 -4.902 -11.911 124 HH21 ARG 18 1HH1 ARG 18 2.979 -7.191 -9.372 125 HH22 ARG 18 2HH1 ARG 18 3.203 -6.832 -11.051 126 H VAL 19 H VAL 19 0.107 -3.075 -3.703 127 HA VAL 19 HA VAL 19 -2.159 -1.168 -4.126 128 HB VAL 19 HB VAL 19 -2.197 -0.657 -1.719 129 HG11 VAL 19 1HG1 VAL 19 -2.496 -3.639 -2.265 130 HG12 VAL 19 2HG1 VAL 19 -3.722 -2.410 -2.571 131 HG13 VAL 19 3HG1 VAL 19 -3.222 -2.765 -0.918 132 HG21 VAL 19 3HG2 VAL 19 0.091 -1.140 -1.022 133 HG22 VAL 19 1HG2 VAL 19 -0.034 -2.821 -1.536 134 HG23 VAL 19 2HG2 VAL 19 -0.939 -2.255 -0.131 135 H LEU 20 H LEU 20 -1.559 0.960 -2.975 136 HA LEU 20 HA LEU 20 1.240 1.711 -3.725 137 HB2 LEU 20 1HB LEU 20 -1.270 3.415 -3.764 138 HB3 LEU 20 2HB LEU 20 0.327 3.896 -4.327 139 HG LEU 20 HG LEU 20 -1.387 1.671 -5.535 140 HD11 LEU 20 1HD1 LEU 20 -0.705 4.438 -6.595 141 HD12 LEU 20 2HD1 LEU 20 -2.277 3.914 -5.992 142 HD13 LEU 20 3HD1 LEU 20 -1.625 3.205 -7.462 143 HD21 LEU 20 3HD2 LEU 20 1.397 2.697 -6.248 144 HD22 LEU 20 1HD2 LEU 20 0.389 1.873 -7.442 145 HD23 LEU 20 2HD2 LEU 20 0.880 1.031 -5.983 146 H CYS 21 H CYS 21 2.392 2.967 -2.358 147 HA CYS 21 HA CYS 21 1.223 3.627 0.334 148 HB2 CYS 21 1HB CYS 21 2.732 1.648 0.402 149 HB3 CYS 21 2HB CYS 21 4.037 2.627 -0.263 150 HG CYS 21 HG CYS 21 4.470 3.201 2.118 151 H PHE 22 H PHE 22 1.101 5.770 0.462 152 HA PHE 22 HA PHE 22 3.066 7.499 -0.912 153 HB2 PHE 22 1HB PHE 22 1.542 9.323 -0.453 154 HB3 PHE 22 2HB PHE 22 0.642 7.980 -1.151 155 HD1 PHE 22 HD1 PHE 22 1.304 9.902 1.961 156 HD2 PHE 22 HD2 PHE 22 -0.990 6.688 0.226 157 HE1 PHE 22 HE1 PHE 22 -0.190 9.893 3.937 158 HE2 PHE 22 HE2 PHE 22 -2.477 6.691 2.211 159 HZ PHE 22 HZ PHE 22 -2.079 8.292 4.064 160 H HIS 23 H HIS 23 4.296 9.050 0.149 161 HA HIS 23 HA HIS 23 4.718 8.632 3.080 162 HB2 HIS 23 1HB HIS 23 6.606 7.869 1.615 163 HB3 HIS 23 2HB HIS 23 6.746 9.503 0.975 164 HD1 HIS 23 HD1 HIS 23 6.561 7.968 4.479 165 HD2 HIS 23 HD2 HIS 23 8.668 10.901 2.395 166 HE1 HIS 23 HE1 HIS 23 8.185 8.991 6.130 167 HE2 HIS 23 HE2 HIS 23 9.476 10.782 4.876 168 H GLY 24 H GLY 24 4.349 10.951 0.459 169 HA2 GLY 24 1HA GLY 24 3.108 13.001 1.653 170 HA3 GLY 24 2HA GLY 24 4.767 13.291 2.177 171 HA PRO 25 HA PRO 25 5.799 15.275 -1.603 172 HB2 PRO 25 1HB PRO 25 8.094 14.056 -2.581 173 HB3 PRO 25 2HB PRO 25 8.084 15.063 -1.113 174 HG2 PRO 25 1HG PRO 25 7.826 12.054 -1.306 175 HG3 PRO 25 2HG PRO 25 8.960 13.002 -0.311 176 HD2 PRO 25 1HD PRO 25 6.728 12.073 0.822 177 HD3 PRO 25 2HD PRO 25 7.214 13.750 1.164 178 H LEU 26 H LEU 26 5.828 11.734 -2.137 179 HA LEU 26 HA LEU 26 4.051 12.027 -4.460 180 HB2 LEU 26 1HB LEU 26 6.752 12.135 -5.065 181 HB3 LEU 26 2HB LEU 26 6.516 10.397 -5.095 182 HG LEU 26 HG LEU 26 4.424 10.967 -6.667 183 HD11 LEU 26 1HD1 LEU 26 4.593 13.005 -7.950 184 HD12 LEU 26 2HD1 LEU 26 6.154 13.409 -7.237 185 HD13 LEU 26 3HD1 LEU 26 4.699 13.490 -6.260 186 HD21 LEU 26 3HD2 LEU 26 5.859 10.868 -8.689 187 HD22 LEU 26 1HD2 LEU 26 6.419 9.732 -7.462 188 HD23 LEU 26 2HD2 LEU 26 7.274 11.256 -7.706 189 H ILE 27 H ILE 27 3.345 9.963 -5.327 190 HA ILE 27 HA ILE 27 2.901 8.004 -3.208 191 HB ILE 27 HB ILE 27 1.841 8.101 -6.057 192 HG12 ILE 27 1HG1 ILE 27 0.457 8.916 -3.447 193 HG13 ILE 27 2HG1 ILE 27 1.180 10.066 -4.557 194 HG21 ILE 27 1HG2 ILE 27 0.112 6.497 -5.183 195 HG22 ILE 27 2HG2 ILE 27 0.961 6.449 -3.640 196 HG23 ILE 27 3HG2 ILE 27 1.728 5.811 -5.091 197 HD11 ILE 27 3HD1 ILE 27 -0.333 9.275 -6.357 198 HD12 ILE 27 1HD1 ILE 27 -1.210 9.930 -4.976 199 HD13 ILE 27 2HD1 ILE 27 -1.105 8.187 -5.204 200 H TYR 28 H TYR 28 3.871 6.054 -3.075 201 HA TYR 28 HA TYR 28 5.748 5.173 -5.239 202 HB2 TYR 28 1HB TYR 28 5.868 4.694 -2.234 203 HB3 TYR 28 2HB TYR 28 7.032 4.099 -3.416 204 HD1 TYR 28 HD1 TYR 28 8.538 5.682 -4.638 205 HD2 TYR 28 HD2 TYR 28 5.801 7.109 -1.617 206 HE1 TYR 28 HE1 TYR 28 9.731 7.854 -4.567 207 HE2 TYR 28 HE2 TYR 28 7.023 9.271 -1.558 208 HH TYR 28 HH TYR 28 8.877 10.401 -3.800 209 H GLU 29 H GLU 29 5.970 2.922 -5.555 210 HA GLU 29 HA GLU 29 3.424 1.477 -5.355 211 HB2 GLU 29 1HB GLU 29 4.736 1.593 -7.480 212 HB3 GLU 29 2HB GLU 29 6.034 0.681 -6.718 213 HG2 GLU 29 1HG GLU 29 4.496 -1.233 -6.357 214 HG3 GLU 29 2HG GLU 29 3.168 -0.311 -7.055 215 H ALA 30 H ALA 30 3.085 -0.342 -4.195 216 HA ALA 30 HA ALA 30 5.234 -1.789 -2.826 217 HB1 ALA 30 3HB ALA 30 4.218 -1.471 -0.593 218 HB2 ALA 30 1HB ALA 30 3.028 -0.363 -1.287 219 HB3 ALA 30 2HB ALA 30 4.736 0.072 -1.272 220 H LYS 31 H LYS 31 4.129 -3.583 -1.441 221 HA LYS 31 HA LYS 31 1.599 -4.542 -2.662 222 HB2 LYS 31 1HB LYS 31 3.550 -5.430 -3.963 223 HB3 LYS 31 2HB LYS 31 4.136 -6.213 -2.507 224 HG2 LYS 31 1HG LYS 31 1.261 -6.855 -3.206 225 HG3 LYS 31 2HG LYS 31 2.425 -7.436 -4.374 226 HD2 LYS 31 1HD LYS 31 2.802 -8.014 -1.407 227 HD3 LYS 31 2HD LYS 31 1.748 -9.014 -2.380 228 HE2 LYS 31 1HE LYS 31 4.687 -8.533 -2.999 229 HE3 LYS 31 2HE LYS 31 4.037 -9.977 -2.228 230 HZ1 LYS 31 3HZ LYS 31 3.728 -10.758 -4.263 231 HZ2 LYS 31 1HZ LYS 31 4.057 -9.260 -4.987 232 HZ3 LYS 31 2HZ LYS 31 2.486 -9.614 -4.449 233 H VAL 32 H VAL 32 0.544 -6.163 -1.485 234 HA VAL 32 HA VAL 32 1.021 -6.028 1.448 235 HB VAL 32 HB VAL 32 -1.381 -7.190 -0.063 236 HG11 VAL 32 1HG1 VAL 32 -1.143 -7.991 2.283 237 HG12 VAL 32 2HG1 VAL 32 -2.523 -6.914 2.133 238 HG13 VAL 32 3HG1 VAL 32 -1.019 -6.325 2.843 239 HG21 VAL 32 3HG2 VAL 32 -1.036 -4.420 1.167 240 HG22 VAL 32 1HG2 VAL 32 -2.519 -5.055 0.451 241 HG23 VAL 32 2HG2 VAL 32 -1.110 -4.774 -0.558 242 H LEU 33 H LEU 33 2.452 -7.591 2.077 243 HA LEU 33 HA LEU 33 2.617 -10.163 0.766 244 HB2 LEU 33 1HB LEU 33 4.446 -8.764 2.224 245 HB3 LEU 33 2HB LEU 33 3.863 -9.817 3.500 246 HG LEU 33 HG LEU 33 5.015 -10.717 0.822 247 HD11 LEU 33 1HD1 LEU 33 6.118 -10.912 3.649 248 HD12 LEU 33 2HD1 LEU 33 6.711 -9.845 2.376 249 HD13 LEU 33 3HD1 LEU 33 6.870 -11.592 2.205 250 HD21 LEU 33 3HD2 LEU 33 3.437 -12.408 1.382 251 HD22 LEU 33 1HD2 LEU 33 3.760 -12.289 3.115 252 HD23 LEU 33 2HD2 LEU 33 4.938 -13.038 2.034 253 H LYS 34 H LYS 34 1.225 -8.960 3.783 254 HA LYS 34 HA LYS 34 -0.662 -11.163 3.852 255 HB2 LYS 34 1HB LYS 34 0.028 -12.080 6.060 256 HB3 LYS 34 2HB LYS 34 1.263 -12.339 4.829 257 HG2 LYS 34 1HG LYS 34 2.501 -10.359 5.650 258 HG3 LYS 34 2HG LYS 34 1.274 -10.111 6.897 259 HD2 LYS 34 1HD LYS 34 1.820 -12.323 7.873 260 HD3 LYS 34 2HD LYS 34 3.054 -12.560 6.639 261 HE2 LYS 34 1HE LYS 34 4.265 -10.553 7.450 262 HE3 LYS 34 2HE LYS 34 3.031 -10.312 8.689 263 HZ1 LYS 34 3HZ LYS 34 5.013 -11.489 9.500 264 HZ2 LYS 34 1HZ LYS 34 4.691 -12.756 8.417 265 HZ3 LYS 34 2HZ LYS 34 3.593 -12.407 9.665 266 H THR 35 H THR 35 -2.223 -10.949 5.558 267 HA THR 35 HA THR 35 -2.347 -8.284 6.894 268 HB THR 35 HB THR 35 -3.611 -7.943 4.856 269 HG1 THR 35 HG1 THR 35 -5.793 -7.905 5.780 270 HG21 THR 35 3HG2 THR 35 -5.478 -9.474 4.212 271 HG22 THR 35 1HG2 THR 35 -4.970 -10.600 5.468 272 HG23 THR 35 2HG2 THR 35 -3.902 -10.256 4.107 273 H LYS 36 H LYS 36 -3.710 -8.186 8.681 274 HA LYS 36 HA LYS 36 -4.398 -10.864 9.875 275 HB2 LYS 36 1HB LYS 36 -2.617 -9.585 11.036 276 HB3 LYS 36 2HB LYS 36 -3.764 -8.300 11.338 277 HG2 LYS 36 1HG LYS 36 -5.200 -9.846 12.641 278 HG3 LYS 36 2HG LYS 36 -4.090 -11.168 12.287 279 HD2 LYS 36 1HD LYS 36 -2.280 -9.975 13.502 280 HD3 LYS 36 2HD LYS 36 -3.402 -8.666 13.876 281 HE2 LYS 36 1HE LYS 36 -4.846 -10.257 15.124 282 HE3 LYS 36 2HE LYS 36 -3.728 -11.569 14.744 283 HZ1 LYS 36 3HZ LYS 36 -2.388 -9.322 15.876 284 HZ2 LYS 36 1HZ LYS 36 -2.373 -10.946 16.365 285 HZ3 LYS 36 2HZ LYS 36 -3.602 -9.907 16.909 286 HA PRO 37 HA PRO 37 -8.454 -8.599 9.445 287 HB2 PRO 37 1HB PRO 37 -9.956 -10.447 8.218 288 HB3 PRO 37 2HB PRO 37 -8.642 -9.655 7.310 289 HG2 PRO 37 1HG PRO 37 -8.572 -12.326 8.730 290 HG3 PRO 37 2HG PRO 37 -8.138 -11.966 7.041 291 HD2 PRO 37 1HD PRO 37 -6.239 -12.066 9.031 292 HD3 PRO 37 2HD PRO 37 -6.076 -10.962 7.647 293 H ASP 38 H ASP 38 -7.257 -10.764 11.507 294 HA ASP 38 HA ASP 38 -9.532 -12.074 12.617 295 HB2 ASP 38 1HB ASP 38 -7.182 -12.824 12.952 296 HB3 ASP 38 2HB ASP 38 -6.872 -11.392 13.928 297 H ALA 39 H ALA 39 -8.944 -8.853 12.454 298 HA ALA 39 HA ALA 39 -10.850 -8.210 14.555 299 HB1 ALA 39 3HB ALA 39 -9.327 -6.764 15.857 300 HB2 ALA 39 1HB ALA 39 -7.974 -7.253 14.831 301 HB3 ALA 39 2HB ALA 39 -8.762 -8.436 15.871 302 H THR 40 H THR 40 -11.400 -5.946 14.598 303 HA THR 40 HA THR 40 -10.574 -4.328 12.257 304 HB THR 40 HB THR 40 -12.903 -3.845 11.679 305 HG1 THR 40 HG1 THR 40 -13.786 -4.148 13.734 306 HG21 THR 40 3HG2 THR 40 -13.479 -6.000 10.697 307 HG22 THR 40 1HG2 THR 40 -12.510 -6.858 11.891 308 HG23 THR 40 2HG2 THR 40 -11.722 -5.865 10.664 309 HA PRO 41 HA PRO 41 -9.889 -2.195 11.895 310 HB2 PRO 41 1HB PRO 41 -8.141 -0.362 12.900 311 HB3 PRO 41 2HB PRO 41 -9.825 0.085 12.523 312 HG2 PRO 41 1HG PRO 41 -8.680 -0.753 15.195 313 HG3 PRO 41 2HG PRO 41 -9.616 0.715 14.806 314 HD2 PRO 41 1HD PRO 41 -10.884 -1.428 15.846 315 HD3 PRO 41 2HD PRO 41 -11.654 -0.507 14.532 316 H VAL 42 H VAL 42 -7.353 -2.216 11.700 317 HA VAL 42 HA VAL 42 -5.860 -3.694 13.672 318 HB VAL 42 HB VAL 42 -7.387 -5.493 12.822 319 HG11 VAL 42 1HG1 VAL 42 -7.573 -4.526 10.473 320 HG12 VAL 42 2HG1 VAL 42 -7.302 -6.261 10.517 321 HG13 VAL 42 3HG1 VAL 42 -5.968 -5.176 10.143 322 HG21 VAL 42 3HG2 VAL 42 -5.718 -7.190 12.743 323 HG22 VAL 42 1HG2 VAL 42 -4.865 -5.888 13.555 324 HG23 VAL 42 2HG2 VAL 42 -4.597 -6.184 11.845 325 H GLU 43 H GLU 43 -3.773 -4.634 12.550 326 HA GLU 43 HA GLU 43 -2.624 -2.491 10.871 327 HB2 GLU 43 1HB GLU 43 -0.451 -3.464 11.615 328 HB3 GLU 43 2HB GLU 43 -1.447 -2.940 12.969 329 HG2 GLU 43 1HG GLU 43 -2.201 -5.291 13.316 330 HG3 GLU 43 2HG GLU 43 -1.177 -5.820 11.987 331 H TYR 44 H TYR 44 -1.102 -3.151 9.215 332 HA TYR 44 HA TYR 44 -1.663 -5.761 7.891 333 HB2 TYR 44 1HB TYR 44 -1.620 -3.023 6.540 334 HB3 TYR 44 2HB TYR 44 -1.867 -4.576 5.745 335 HD1 TYR 44 HD1 TYR 44 -3.360 -2.123 8.138 336 HD2 TYR 44 HD2 TYR 44 -4.032 -5.765 5.931 337 HE1 TYR 44 HE1 TYR 44 -5.773 -2.037 8.701 338 HE2 TYR 44 HE2 TYR 44 -6.439 -5.660 6.503 339 HH TYR 44 HH TYR 44 -7.980 -3.028 7.528 340 H TYR 45 H TYR 45 -0.065 -6.468 6.484 341 HA TYR 45 HA TYR 45 2.667 -5.468 7.174 342 HB2 TYR 45 1HB TYR 45 2.044 -7.885 7.525 343 HB3 TYR 45 2HB TYR 45 1.942 -8.049 5.779 344 HD1 TYR 45 HD1 TYR 45 3.997 -7.582 4.336 345 HD2 TYR 45 HD2 TYR 45 4.243 -7.798 8.626 346 HE1 TYR 45 HE1 TYR 45 6.447 -7.903 4.186 347 HE2 TYR 45 HE2 TYR 45 6.692 -8.110 8.463 348 HH TYR 45 HH TYR 45 8.428 -7.543 5.634 349 H ILE 46 H ILE 46 3.251 -3.932 5.819 350 HA ILE 46 HA ILE 46 2.931 -4.270 2.868 351 HB ILE 46 HB ILE 46 3.382 -1.703 4.457 352 HG12 ILE 46 1HG1 ILE 46 1.179 -2.605 5.053 353 HG13 ILE 46 2HG1 ILE 46 0.967 -1.223 3.992 354 HG21 ILE 46 1HG2 ILE 46 2.593 -2.169 1.551 355 HG22 ILE 46 2HG2 ILE 46 4.157 -1.573 2.107 356 HG23 ILE 46 3HG2 ILE 46 2.713 -0.594 2.333 357 HD11 ILE 46 3HD1 ILE 46 0.807 -3.023 2.073 358 HD12 ILE 46 1HD1 ILE 46 -0.565 -2.791 3.154 359 HD13 ILE 46 2HD1 ILE 46 0.527 -4.148 3.402 360 H HIS 47 H HIS 47 4.677 -4.084 1.584 361 HA HIS 47 HA HIS 47 7.334 -3.371 2.678 362 HB2 HIS 47 1HB HIS 47 8.397 -5.396 1.820 363 HB3 HIS 47 2HB HIS 47 7.124 -5.852 2.947 364 HD1 HIS 47 HD1 HIS 47 8.371 -6.635 -0.318 365 HD2 HIS 47 HD2 HIS 47 4.573 -6.455 1.375 366 HE1 HIS 47 HE1 HIS 47 6.840 -7.931 -1.861 367 HE2 HIS 47 HE2 HIS 47 4.525 -7.833 -0.838 368 H TYR 48 H TYR 48 8.596 -2.351 1.202 369 HA TYR 48 HA TYR 48 7.410 -1.427 -1.250 370 HB2 TYR 48 1HB TYR 48 10.288 -1.221 -0.268 371 HB3 TYR 48 2HB TYR 48 9.578 -0.287 -1.585 372 HD1 TYR 48 HD1 TYR 48 7.564 1.234 -1.107 373 HD2 TYR 48 HD2 TYR 48 9.936 -0.497 2.057 374 HE1 TYR 48 HE1 TYR 48 6.645 2.883 0.499 375 HE2 TYR 48 HE2 TYR 48 9.009 1.165 3.644 376 HH TYR 48 HH TYR 48 7.295 3.914 2.650 377 H ALA 49 H ALA 49 7.599 -2.208 -3.269 378 HA ALA 49 HA ALA 49 8.569 -4.849 -3.756 379 HB1 ALA 49 3HB ALA 49 7.793 -2.669 -5.733 380 HB2 ALA 49 1HB ALA 49 6.693 -3.846 -5.015 381 HB3 ALA 49 2HB ALA 49 7.967 -4.386 -6.110 382 H GLY 50 H GLY 50 10.492 -5.557 -4.569 383 HA2 GLY 50 1HA GLY 50 12.568 -5.539 -5.617 384 HA3 GLY 50 2HA GLY 50 12.405 -3.816 -5.930 385 H TRP 51 H TRP 51 11.837 -4.927 -2.705 386 HA TRP 51 HA TRP 51 14.603 -4.278 -1.801 387 HB2 TRP 51 1HB TRP 51 12.052 -3.019 -0.710 388 HB3 TRP 51 2HB TRP 51 13.663 -2.819 -0.017 389 HD1 TRP 51 HD1 TRP 51 11.440 -1.447 -2.716 390 HE1 TRP 51 HE1 TRP 51 12.712 0.339 -4.070 391 HE3 TRP 51 HE3 TRP 51 16.161 -2.212 -0.946 392 HZ2 TRP 51 HZ2 TRP 51 15.382 1.314 -4.363 393 HZ3 TRP 51 HZ3 TRP 51 18.057 -0.843 -1.778 394 HH2 TRP 51 HH2 TRP 51 17.673 0.919 -3.484 395 H SER 52 H SER 52 14.960 -4.842 0.443 396 HA SER 52 HA SER 52 14.258 -7.531 0.974 397 HB2 SER 52 1HB SER 52 15.441 -7.209 3.096 398 HB3 SER 52 2HB SER 52 16.323 -6.403 1.798 399 HG SER 52 HG SER 52 15.295 -5.361 4.029 400 H LYS 53 H LYS 53 12.592 -8.405 2.075 401 HA LYS 53 HA LYS 53 10.410 -6.741 3.050 402 HB2 LYS 53 1HB LYS 53 9.226 -8.893 3.355 403 HB3 LYS 53 2HB LYS 53 9.886 -8.729 1.729 404 HG2 LYS 53 1HG LYS 53 11.827 -10.140 2.366 405 HG3 LYS 53 2HG LYS 53 11.171 -10.321 3.992 406 HD2 LYS 53 1HD LYS 53 9.150 -11.413 3.079 407 HD3 LYS 53 2HD LYS 53 9.769 -11.218 1.437 408 HE2 LYS 53 1HE LYS 53 10.200 -13.506 2.269 409 HE3 LYS 53 2HE LYS 53 11.721 -12.646 2.021 410 HZ1 LYS 53 3HZ LYS 53 10.378 -12.586 4.644 411 HZ2 LYS 53 1HZ LYS 53 12.017 -12.350 4.278 412 HZ3 LYS 53 2HZ LYS 53 11.348 -13.910 4.208 413 H ASN 54 H ASN 54 13.240 -7.850 4.435 414 HA ASN 54 HA ASN 54 12.316 -8.693 7.015 415 HB2 ASN 54 1HB ASN 54 15.018 -7.563 6.184 416 HB3 ASN 54 2HB ASN 54 14.680 -8.434 7.682 417 HD21 ASN 54 2HD2 ASN 54 16.452 -9.153 5.282 418 HD22 ASN 54 1HD2 ASN 54 15.925 -10.701 4.828 419 H TRP 55 H TRP 55 12.370 -5.683 5.501 420 HA TRP 55 HA TRP 55 12.962 -3.963 7.705 421 HB2 TRP 55 1HB TRP 55 12.987 -3.305 5.268 422 HB3 TRP 55 2HB TRP 55 11.229 -3.371 5.262 423 HD1 TRP 55 HD1 TRP 55 10.010 -1.669 7.112 424 HE1 TRP 55 HE1 TRP 55 10.700 0.721 7.783 425 HE3 TRP 55 HE3 TRP 55 14.871 -1.700 5.569 426 HZ2 TRP 55 HZ2 TRP 55 13.013 2.399 7.679 427 HZ3 TRP 55 HZ3 TRP 55 16.301 0.306 5.865 428 HH2 TRP 55 HH2 TRP 55 15.378 2.356 6.919 429 H ASP 56 H ASP 56 10.154 -5.717 6.688 430 HA ASP 56 HA ASP 56 7.960 -5.800 7.400 431 HB2 ASP 56 1HB ASP 56 7.783 -6.270 9.825 432 HB3 ASP 56 2HB ASP 56 9.158 -7.099 9.101 433 H GLU 57 H GLU 57 7.424 -3.630 6.503 434 HA GLU 57 HA GLU 57 7.230 -1.412 8.431 435 HB2 GLU 57 1HB GLU 57 7.905 -1.109 5.990 436 HB3 GLU 57 2HB GLU 57 6.252 -1.483 5.544 437 HG2 GLU 57 1HG GLU 57 5.462 0.422 6.933 438 HG3 GLU 57 2HG GLU 57 7.124 0.812 7.346 439 H TRP 58 H TRP 58 5.703 -2.272 9.909 440 HA TRP 58 HA TRP 58 3.049 -3.128 9.114 441 HB2 TRP 58 1HB TRP 58 4.243 -2.359 11.813 442 HB3 TRP 58 2HB TRP 58 2.610 -2.981 11.610 443 HD1 TRP 58 HD1 TRP 58 6.280 -4.084 11.348 444 HE1 TRP 58 HE1 TRP 58 6.361 -6.660 11.417 445 HE3 TRP 58 HE3 TRP 58 1.295 -5.130 11.092 446 HZ2 TRP 58 HZ2 TRP 58 4.544 -8.881 11.363 447 HZ3 TRP 58 HZ3 TRP 58 0.491 -7.476 11.106 448 HH2 TRP 58 HH2 TRP 58 2.110 -9.352 11.242 449 H VAL 59 H VAL 59 1.437 -1.763 8.540 450 HA VAL 59 HA VAL 59 1.251 0.925 9.779 451 HB VAL 59 HB VAL 59 0.744 1.853 7.360 452 HG11 VAL 59 1HG1 VAL 59 3.561 1.107 8.225 453 HG12 VAL 59 2HG1 VAL 59 2.716 2.600 8.584 454 HG13 VAL 59 3HG1 VAL 59 3.200 2.236 6.931 455 HG21 VAL 59 3HG2 VAL 59 0.664 -0.410 6.295 456 HG22 VAL 59 1HG2 VAL 59 2.385 -0.616 6.627 457 HG23 VAL 59 2HG2 VAL 59 1.848 0.650 5.529 458 HA PRO 60 HA PRO 60 -3.104 -0.005 9.735 459 HB2 PRO 60 1HB PRO 60 -4.235 2.440 10.088 460 HB3 PRO 60 2HB PRO 60 -3.171 1.754 11.345 461 HG2 PRO 60 1HG PRO 60 -2.410 3.665 9.121 462 HG3 PRO 60 2HG PRO 60 -2.168 3.872 10.873 463 HD2 PRO 60 1HD PRO 60 -0.160 2.905 9.347 464 HD3 PRO 60 2HD PRO 60 -0.460 2.208 10.956 465 H GLU 61 H GLU 61 -5.053 0.242 8.484 466 HA GLU 61 HA GLU 61 -4.754 0.232 5.710 467 HB2 GLU 61 1HB GLU 61 -7.276 0.423 5.652 468 HB3 GLU 61 2HB GLU 61 -6.684 -0.818 6.751 469 HG2 GLU 61 1HG GLU 61 -6.939 0.748 8.667 470 HG3 GLU 61 2HG GLU 61 -7.537 1.991 7.572 471 H ASN 62 H ASN 62 -4.968 2.925 7.815 472 HA ASN 62 HA ASN 62 -6.139 4.876 6.129 473 HB2 ASN 62 1HB ASN 62 -5.787 5.157 8.571 474 HB3 ASN 62 2HB ASN 62 -4.056 5.270 8.302 475 HD21 ASN 62 2HD2 ASN 62 -3.865 7.479 9.011 476 HD22 ASN 62 1HD2 ASN 62 -4.555 8.769 8.150 477 H ARG 63 H ARG 63 -2.719 3.884 6.469 478 HA ARG 63 HA ARG 63 -1.836 5.845 4.472 479 HB2 ARG 63 1HB ARG 63 -0.492 5.171 6.540 480 HB3 ARG 63 2HB ARG 63 -0.171 3.630 5.753 481 HG2 ARG 63 1HG ARG 63 0.925 4.817 3.861 482 HG3 ARG 63 2HG ARG 63 0.561 6.367 4.608 483 HD2 ARG 63 1HD ARG 63 2.304 4.201 5.822 484 HD3 ARG 63 2HD ARG 63 2.903 5.655 5.031 485 HE ARG 63 HE ARG 63 1.113 6.435 7.061 486 HH11 ARG 63 1HH2 ARG 63 4.228 4.945 6.673 487 HH12 ARG 63 2HH2 ARG 63 4.829 5.497 8.201 488 HH21 ARG 63 1HH1 ARG 63 1.902 7.150 9.054 489 HH22 ARG 63 2HH1 ARG 63 3.512 6.743 9.548 490 H VAL 64 H VAL 64 -3.331 2.887 4.264 491 HA VAL 64 HA VAL 64 -1.979 2.137 1.704 492 HB VAL 64 HB VAL 64 -3.743 0.393 3.474 493 HG11 VAL 64 1HG1 VAL 64 -1.923 -0.272 1.117 494 HG12 VAL 64 2HG1 VAL 64 -3.681 -0.297 1.083 495 HG13 VAL 64 3HG1 VAL 64 -2.812 -1.451 2.082 496 HG21 VAL 64 3HG2 VAL 64 -1.636 0.984 4.643 497 HG22 VAL 64 1HG2 VAL 64 -0.706 0.499 3.225 498 HG23 VAL 64 2HG2 VAL 64 -1.611 -0.704 4.144 499 H LEU 65 H LEU 65 -3.137 2.079 -0.137 500 HA LEU 65 HA LEU 65 -6.096 2.496 -0.069 501 HB2 LEU 65 1HB LEU 65 -5.898 4.149 -1.883 502 HB3 LEU 65 2HB LEU 65 -5.095 4.700 -0.423 503 HG LEU 65 HG LEU 65 -3.185 3.232 -2.193 504 HD11 LEU 65 1HD1 LEU 65 -4.468 4.057 -4.051 505 HD12 LEU 65 2HD1 LEU 65 -3.038 5.075 -3.924 506 HD13 LEU 65 3HD1 LEU 65 -4.593 5.668 -3.347 507 HD21 LEU 65 3HD2 LEU 65 -3.189 6.111 -1.167 508 HD22 LEU 65 1HD2 LEU 65 -1.796 5.234 -1.809 509 HD23 LEU 65 2HD2 LEU 65 -2.534 4.727 -0.291 510 H LYS 66 H LYS 66 -7.194 1.853 -1.962 511 HA LYS 66 HA LYS 66 -6.219 -0.607 -3.062 512 HB2 LYS 66 1HB LYS 66 -8.363 -0.555 -4.357 513 HB3 LYS 66 2HB LYS 66 -8.588 -0.306 -2.627 514 HG2 LYS 66 1HG LYS 66 -8.837 2.114 -2.944 515 HG3 LYS 66 2HG LYS 66 -8.454 1.971 -4.656 516 HD2 LYS 66 1HD LYS 66 -10.878 2.187 -4.400 517 HD3 LYS 66 2HD LYS 66 -10.503 0.570 -4.985 518 HE2 LYS 66 1HE LYS 66 -10.979 -0.410 -2.823 519 HE3 LYS 66 2HE LYS 66 -10.933 1.163 -2.020 520 HZ1 LYS 66 3HZ LYS 66 -12.906 0.427 -4.112 521 HZ2 LYS 66 1HZ LYS 66 -12.917 1.810 -3.129 522 HZ3 LYS 66 2HZ LYS 66 -13.193 0.280 -2.444 523 H TYR 67 H TYR 67 -5.688 -1.096 -5.186 524 HA TYR 67 HA TYR 67 -4.367 1.050 -6.681 525 HB2 TYR 67 1HB TYR 67 -3.280 -1.165 -6.360 526 HB3 TYR 67 2HB TYR 67 -4.586 -1.941 -7.249 527 HD1 TYR 67 HD2 TYR 67 -4.851 -1.559 -9.719 528 HD2 TYR 67 HD1 TYR 67 -1.580 0.218 -7.541 529 HE1 TYR 67 HE2 TYR 67 -3.704 -1.029 -11.853 530 HE2 TYR 67 HE1 TYR 67 -0.450 0.745 -9.685 531 HH TYR 67 HH TYR 67 -0.435 0.019 -11.981 532 H ASN 68 H ASN 68 -5.455 2.194 -8.127 533 HA ASN 68 HA ASN 68 -7.251 0.920 -10.063 534 HB2 ASN 68 1HB ASN 68 -9.147 2.464 -9.540 535 HB3 ASN 68 2HB ASN 68 -8.806 1.348 -8.220 536 HD21 ASN 68 2HD2 ASN 68 -10.027 3.195 -7.001 537 HD22 ASN 68 1HD2 ASN 68 -9.068 4.456 -6.391 538 H ASP 69 H ASP 69 -7.613 2.168 -11.890 539 HA ASP 69 HA ASP 69 -5.571 3.736 -12.831 540 HB2 ASP 69 1HB ASP 69 -8.488 3.952 -13.646 541 HB3 ASP 69 2HB ASP 69 -7.101 4.442 -14.619 542 H ASP 70 H ASP 70 -8.051 4.711 -10.641 543 HA ASP 70 HA ASP 70 -7.926 7.556 -11.157 544 HB2 ASP 70 1HB ASP 70 -9.909 6.435 -10.138 545 HB3 ASP 70 2HB ASP 70 -8.961 6.095 -8.693 546 H ASN 71 H ASN 71 -6.623 5.442 -8.575 547 HA ASN 71 HA ASN 71 -5.173 7.528 -7.241 548 HB2 ASN 71 1HB ASN 71 -4.794 4.513 -7.184 549 HB3 ASN 71 2HB ASN 71 -3.986 5.650 -6.109 550 HD21 ASN 71 2HD2 ASN 71 -6.139 7.441 -5.570 551 HD22 ASN 71 1HD2 ASN 71 -7.329 6.597 -4.701 552 H VAL 72 H VAL 72 -4.479 5.397 -9.913 553 HA VAL 72 HA VAL 72 -1.644 5.902 -10.084 554 HB VAL 72 HB VAL 72 -3.641 5.069 -12.226 555 HG11 VAL 72 1HG1 VAL 72 -0.594 5.042 -12.278 556 HG12 VAL 72 2HG1 VAL 72 -1.641 6.000 -13.324 557 HG13 VAL 72 3HG1 VAL 72 -1.613 4.251 -13.482 558 HG21 VAL 72 3HG2 VAL 72 -1.679 3.422 -10.576 559 HG22 VAL 72 1HG2 VAL 72 -2.754 2.787 -11.823 560 HG23 VAL 72 2HG2 VAL 72 -3.424 3.454 -10.338 561 H LYS 73 H LYS 73 -4.544 7.356 -11.500 562 HA LYS 73 HA LYS 73 -3.344 9.292 -13.154 563 HB2 LYS 73 1HB LYS 73 -5.761 8.660 -13.187 564 HB3 LYS 73 2HB LYS 73 -5.985 9.492 -11.662 565 HG2 LYS 73 1HG LYS 73 -5.297 11.638 -12.716 566 HG3 LYS 73 2HG LYS 73 -5.080 10.798 -14.253 567 HD2 LYS 73 1HD LYS 73 -7.487 10.163 -14.245 568 HD3 LYS 73 2HD LYS 73 -7.702 10.998 -12.706 569 HE2 LYS 73 1HE LYS 73 -8.455 12.431 -14.563 570 HE3 LYS 73 2HE LYS 73 -7.030 13.139 -13.799 571 HZ1 LYS 73 3HZ LYS 73 -6.670 11.297 -16.053 572 HZ2 LYS 73 1HZ LYS 73 -5.710 12.609 -15.569 573 HZ3 LYS 73 2HZ LYS 73 -7.181 12.885 -16.373 574 H ARG 74 H ARG 74 -4.171 9.361 -9.703 575 HA ARG 74 HA ARG 74 -3.553 12.093 -9.222 576 HB2 ARG 74 1HB ARG 74 -3.537 9.681 -7.362 577 HB3 ARG 74 2HB ARG 74 -3.268 11.330 -6.798 578 HG2 ARG 74 1HG ARG 74 -5.492 11.998 -7.691 579 HG3 ARG 74 2HG ARG 74 -5.765 10.347 -8.235 580 HD2 ARG 74 1HD ARG 74 -5.613 9.550 -5.883 581 HD3 ARG 74 2HD ARG 74 -5.357 11.211 -5.348 582 HE ARG 74 HE ARG 74 -7.718 11.148 -6.882 583 HH11 ARG 74 1HH2 ARG 74 -6.495 9.942 -3.857 584 HH12 ARG 74 2HH2 ARG 74 -8.051 9.915 -3.096 585 HH21 ARG 74 1HH1 ARG 74 -9.736 11.109 -5.878 586 HH22 ARG 74 2HH1 ARG 74 -9.880 10.574 -4.236 587 H ARG 75 H ARG 75 -1.565 9.153 -9.208 588 HA ARG 75 HA ARG 75 0.837 10.380 -8.245 589 HB2 ARG 75 1HB ARG 75 0.487 7.910 -8.288 590 HB3 ARG 75 2HB ARG 75 0.565 7.937 -10.048 591 HG2 ARG 75 1HG ARG 75 2.891 8.783 -9.961 592 HG3 ARG 75 2HG ARG 75 2.814 8.858 -8.202 593 HD2 ARG 75 1HD ARG 75 3.990 6.815 -8.902 594 HD3 ARG 75 2HD ARG 75 2.457 6.383 -8.141 595 HE ARG 75 HE ARG 75 2.091 6.658 -10.946 596 HH11 ARG 75 1HH2 ARG 75 3.580 4.558 -8.604 597 HH12 ARG 75 2HH2 ARG 75 3.433 3.143 -9.593 598 HH21 ARG 75 1HH1 ARG 75 1.911 4.808 -12.223 599 HH22 ARG 75 2HH1 ARG 75 2.492 3.285 -11.637 600 H GLN 76 H GLN 76 -0.525 9.862 -11.465 601 HA GLN 76 HA GLN 76 1.651 10.987 -12.959 602 HB2 GLN 76 1HB GLN 76 -1.296 10.637 -13.634 603 HB3 GLN 76 2HB GLN 76 -0.085 11.181 -14.799 604 HG2 GLN 76 1HG GLN 76 1.178 9.074 -14.487 605 HG3 GLN 76 2HG GLN 76 -0.009 8.525 -13.309 606 HE21 GLN 76 2HE2 GLN 76 0.800 8.307 -16.575 607 HE22 GLN 76 1HE2 GLN 76 -0.714 7.836 -17.182 608 H GLU 77 H GLU 77 -1.262 12.266 -11.452 609 HA GLU 77 HA GLU 77 -1.101 14.924 -12.512 610 HB2 GLU 77 1HB GLU 77 -3.135 13.859 -11.378 611 HB3 GLU 77 2HB GLU 77 -2.313 14.092 -9.840 612 HG2 GLU 77 1HG GLU 77 -3.809 15.981 -10.133 613 HG3 GLU 77 2HG GLU 77 -2.175 16.584 -10.374 614 H LEU 78 H LEU 78 -0.075 13.484 -9.430 615 HA LEU 78 HA LEU 78 1.222 15.752 -8.345 616 HB2 LEU 78 1HB LEU 78 1.565 12.772 -7.892 617 HB3 LEU 78 2HB LEU 78 2.397 13.967 -6.909 618 HG LEU 78 HG LEU 78 -0.655 14.068 -7.169 619 HD11 LEU 78 1HD1 LEU 78 0.901 12.444 -5.114 620 HD12 LEU 78 2HD1 LEU 78 -0.104 11.775 -6.398 621 HD13 LEU 78 3HD1 LEU 78 -0.844 12.711 -5.103 622 HD21 LEU 78 3HD2 LEU 78 1.269 14.951 -4.954 623 HD22 LEU 78 1HD2 LEU 78 -0.483 15.160 -4.922 624 HD23 LEU 78 2HD2 LEU 78 0.482 16.029 -6.103 625 H ALA 79 H ALA 79 2.320 13.148 -10.446 626 HA ALA 79 HA ALA 79 5.097 13.694 -10.378 627 HB1 ALA 79 3HB ALA 79 3.476 12.584 -12.686 628 HB2 ALA 79 1HB ALA 79 4.155 11.636 -11.363 629 HB3 ALA 79 2HB ALA 79 5.224 12.459 -12.502 630 H ARG 80 H ARG 80 2.501 15.078 -12.356 631 HA ARG 80 HA ARG 80 4.155 16.698 -14.027 632 HB2 ARG 80 1HB ARG 80 1.249 16.999 -13.186 633 HB3 ARG 80 2HB ARG 80 2.007 17.996 -14.418 634 HG2 ARG 80 1HG ARG 80 2.169 14.965 -14.732 635 HG3 ARG 80 2HG ARG 80 0.645 15.756 -15.110 636 HD2 ARG 80 1HD ARG 80 3.315 16.515 -16.339 637 HD3 ARG 80 2HD ARG 80 2.112 15.485 -17.115 638 HE ARG 80 HE ARG 80 2.016 18.368 -16.865 639 HH11 ARG 80 1HH2 ARG 80 0.104 15.476 -17.163 640 HH12 ARG 80 2HH2 ARG 80 -1.291 16.303 -17.771 641 HH21 ARG 80 1HH1 ARG 80 0.177 19.439 -17.653 642 HH22 ARG 80 2HH1 ARG 80 -1.251 18.541 -18.047 643 H GLN 81 H GLN 81 2.534 17.278 -10.920 644 HA GLN 81 HA GLN 81 3.259 20.013 -10.621 645 HB2 GLN 81 1HB GLN 81 2.619 17.871 -8.556 646 HB3 GLN 81 2HB GLN 81 2.761 19.591 -8.182 647 HG2 GLN 81 1HG GLN 81 0.907 20.093 -9.744 648 HG3 GLN 81 2HG GLN 81 0.769 18.385 -10.148 649 HE21 GLN 81 2HE2 GLN 81 -1.132 17.665 -9.144 650 HE22 GLN 81 1HE2 GLN 81 -1.541 17.970 -7.524 651 H CYS 82 H CYS 82 4.823 16.977 -9.645 652 HA CYS 82 HA CYS 82 6.947 18.066 -8.145 653 HB2 CYS 82 1HB CYS 82 6.273 15.684 -8.133 654 HB3 CYS 82 2HB CYS 82 6.894 15.501 -9.770 655 HG CYS 82 HG CYS 82 9.295 16.180 -8.776 656 H GLY 83 H GLY 83 6.589 17.427 -11.605 657 HA2 GLY 83 1HA GLY 83 9.256 17.883 -12.403 658 HA3 GLY 83 2HA GLY 83 7.833 18.045 -13.427 659 H GLU 84 H GLU 84 6.501 20.086 -12.007 660 HA GLU 84 HA GLU 84 6.318 22.357 -11.955 661 HB2 GLU 84 1HB GLU 84 7.865 22.024 -10.037 662 HB3 GLU 84 2HB GLU 84 9.238 22.230 -11.113 663 HG2 GLU 84 1HG GLU 84 8.499 24.541 -11.638 664 HG3 GLU 84 2HG GLU 84 7.093 24.329 -10.600 665 H ARG 85 H ARG 85 9.704 22.292 -12.931 666 HA ARG 85 HA ARG 85 9.418 24.243 -14.960 667 HB2 ARG 85 1HB ARG 85 11.550 23.617 -13.768 668 HB3 ARG 85 2HB ARG 85 11.613 22.140 -14.726 669 HG2 ARG 85 1HG ARG 85 11.679 23.508 -16.812 670 HG3 ARG 85 2HG ARG 85 11.622 24.980 -15.841 671 HD2 ARG 85 1HD ARG 85 13.943 24.494 -16.490 672 HD3 ARG 85 2HD ARG 85 13.763 24.308 -14.745 673 HE ARG 85 HE ARG 85 13.299 21.813 -16.019 674 HH11 ARG 85 1HH2 ARG 85 15.861 24.058 -15.326 675 HH12 ARG 85 2HH2 ARG 85 17.093 22.841 -15.288 676 HH21 ARG 85 1HH1 ARG 85 14.906 20.234 -15.967 677 HH22 ARG 85 2HH1 ARG 85 16.551 20.676 -15.651 Start of MODEL 7 1 H1 MET 1 1H MET 1 -18.543 -20.133 9.656 2 H2 MET 1 2H MET 1 -18.662 -19.805 7.993 3 H3 MET 1 3H MET 1 -17.977 -18.657 9.040 4 HA MET 1 HA MET 1 -16.077 -19.546 8.189 5 HB2 MET 1 1HB MET 1 -16.869 -21.414 10.456 6 HB3 MET 1 2HB MET 1 -15.225 -21.241 9.844 7 HG2 MET 1 1HG MET 1 -15.255 -18.831 10.441 8 HG3 MET 1 2HG MET 1 -16.891 -19.005 11.075 9 HE1 MET 1 3HE MET 1 -17.345 -19.491 13.547 10 HE2 MET 1 1HE MET 1 -16.566 -20.858 14.350 11 HE3 MET 1 2HE MET 1 -17.407 -21.094 12.824 12 H ASN 2 H ASN 2 -18.678 -20.836 7.106 13 HA ASN 2 HA ASN 2 -18.146 -23.577 6.538 14 HB2 ASN 2 1HB ASN 2 -19.838 -21.572 4.993 15 HB3 ASN 2 2HB ASN 2 -19.919 -23.327 4.835 16 HD21 ASN 2 2HD2 ASN 2 -19.625 -23.858 7.737 17 HD22 ASN 2 1HD2 ASN 2 -21.082 -23.369 8.457 18 H TYR 3 H TYR 3 -17.745 -24.416 4.317 19 HA TYR 3 HA TYR 3 -15.272 -23.506 3.278 20 HB2 TYR 3 1HB TYR 3 -16.059 -25.841 3.056 21 HB3 TYR 3 2HB TYR 3 -17.349 -25.316 1.984 22 HD1 TYR 3 HD1 TYR 3 -13.604 -25.317 2.369 23 HD2 TYR 3 HD2 TYR 3 -16.895 -25.096 -0.417 24 HE1 TYR 3 HE1 TYR 3 -12.021 -25.443 0.466 25 HE2 TYR 3 HE2 TYR 3 -15.291 -25.226 -2.304 26 HH TYR 3 HH TYR 3 -11.854 -25.804 -1.763 27 H SER 4 H SER 4 -18.598 -23.099 2.087 28 HA SER 4 HA SER 4 -19.517 -21.716 0.499 29 HB2 SER 4 1HB SER 4 -17.236 -19.899 1.346 30 HB3 SER 4 2HB SER 4 -18.704 -19.390 0.511 31 HG SER 4 HG SER 4 -18.811 -20.835 2.936 32 H THR 5 H THR 5 -18.506 -19.942 -1.326 33 HA THR 5 HA THR 5 -17.586 -21.607 -3.415 34 HB THR 5 HB THR 5 -17.387 -18.568 -3.270 35 HG1 THR 5 HG1 THR 5 -19.476 -19.727 -2.777 36 HG21 THR 5 3HG2 THR 5 -16.258 -19.568 -5.234 37 HG22 THR 5 1HG2 THR 5 -17.724 -18.722 -5.726 38 HG23 THR 5 2HG2 THR 5 -17.717 -20.479 -5.618 39 H GLY 6 H GLY 6 -15.884 -19.253 -1.381 40 HA2 GLY 6 1HA GLY 6 -13.407 -20.655 -1.413 41 HA3 GLY 6 2HA GLY 6 -13.356 -19.332 -2.576 42 H THR 7 H THR 7 -11.598 -18.688 -1.060 43 HA THR 7 HA THR 7 -12.103 -17.781 1.580 44 HB THR 7 HB THR 7 -9.815 -18.172 0.874 45 HG1 THR 7 HG1 THR 7 -10.689 -15.767 1.777 46 HG21 THR 7 3HG2 THR 7 -10.072 -17.657 -1.540 47 HG22 THR 7 1HG2 THR 7 -8.722 -16.766 -0.842 48 HG23 THR 7 2HG2 THR 7 -10.244 -15.944 -1.160 49 H ASP 8 H ASP 8 -12.359 -15.668 2.376 50 HA ASP 8 HA ASP 8 -12.824 -13.383 0.684 51 HB2 ASP 8 1HB ASP 8 -15.254 -13.152 1.167 52 HB3 ASP 8 2HB ASP 8 -14.911 -14.592 0.210 53 H ALA 9 H ALA 9 -11.205 -12.728 2.235 54 HA ALA 9 HA ALA 9 -11.640 -12.546 5.028 55 HB1 ALA 9 3HB ALA 9 -9.921 -10.803 3.224 56 HB2 ALA 9 1HB ALA 9 -9.416 -12.317 3.973 57 HB3 ALA 9 2HB ALA 9 -9.778 -10.914 4.980 58 H ASN 10 H ASN 10 -12.342 -10.826 6.316 59 HA ASN 10 HA ASN 10 -14.538 -9.292 5.367 60 HB2 ASN 10 1HB ASN 10 -14.289 -10.001 7.728 61 HB3 ASN 10 2HB ASN 10 -12.892 -8.945 7.904 62 HD21 ASN 10 2HD2 ASN 10 -16.344 -8.722 6.847 63 HD22 ASN 10 1HD2 ASN 10 -16.614 -7.206 7.562 64 H THR 11 H THR 11 -11.131 -8.487 5.962 65 HA THR 11 HA THR 11 -11.339 -5.680 5.518 66 HB THR 11 HB THR 11 -8.879 -5.773 5.238 67 HG1 THR 11 HG1 THR 11 -8.327 -8.260 5.672 68 HG21 THR 11 3HG2 THR 11 -8.329 -6.848 7.406 69 HG22 THR 11 1HG2 THR 11 -9.910 -7.627 7.421 70 HG23 THR 11 2HG2 THR 11 -9.793 -5.869 7.531 71 H LEU 12 H LEU 12 -10.676 -4.483 3.685 72 HA LEU 12 HA LEU 12 -11.543 -5.625 1.134 73 HB2 LEU 12 1HB LEU 12 -10.466 -2.829 1.704 74 HB3 LEU 12 2HB LEU 12 -11.435 -3.337 0.321 75 HG LEU 12 HG LEU 12 -12.366 -3.262 3.228 76 HD11 LEU 12 1HD1 LEU 12 -13.826 -1.415 2.476 77 HD12 LEU 12 2HD1 LEU 12 -13.137 -1.524 0.856 78 HD13 LEU 12 3HD1 LEU 12 -12.127 -1.020 2.210 79 HD21 LEU 12 3HD2 LEU 12 -13.797 -4.155 0.683 80 HD22 LEU 12 1HD2 LEU 12 -14.678 -3.667 2.135 81 HD23 LEU 12 2HD2 LEU 12 -13.603 -5.049 2.194 82 H PHE 13 H PHE 13 -8.631 -5.439 2.801 83 HA PHE 13 HA PHE 13 -6.930 -5.364 0.359 84 HB2 PHE 13 1HB PHE 13 -6.225 -5.232 3.316 85 HB3 PHE 13 2HB PHE 13 -5.079 -5.088 1.982 86 HD1 PHE 13 HD2 PHE 13 -8.000 -3.469 3.657 87 HD2 PHE 13 HD1 PHE 13 -4.947 -3.014 0.641 88 HE1 PHE 13 HE2 PHE 13 -8.564 -1.066 3.439 89 HE2 PHE 13 HE1 PHE 13 -5.529 -0.612 0.430 90 HZ PHE 13 HZ PHE 13 -7.328 0.362 1.829 91 H VAL 14 H VAL 14 -6.006 -7.146 -0.396 92 HA VAL 14 HA VAL 14 -5.996 -9.677 1.226 93 HB VAL 14 HB VAL 14 -6.440 -9.404 -1.774 94 HG11 VAL 14 1HG1 VAL 14 -7.055 -11.827 -1.614 95 HG12 VAL 14 2HG1 VAL 14 -6.587 -11.812 0.086 96 HG13 VAL 14 3HG1 VAL 14 -5.375 -11.551 -1.164 97 HG21 VAL 14 3HG2 VAL 14 -8.421 -10.028 0.458 98 HG22 VAL 14 1HG2 VAL 14 -8.782 -10.079 -1.268 99 HG23 VAL 14 2HG2 VAL 14 -8.388 -8.546 -0.498 100 H ASP 15 H ASP 15 -4.155 -10.873 1.175 101 HA ASP 15 HA ASP 15 -1.683 -9.665 0.572 102 HB2 ASP 15 1HB ASP 15 -0.717 -11.915 1.017 103 HB3 ASP 15 2HB ASP 15 -1.899 -11.453 2.239 104 H GLY 16 H GLY 16 -0.290 -9.818 -1.123 105 HA2 GLY 16 1HA GLY 16 0.630 -10.571 -3.144 106 HA3 GLY 16 2HA GLY 16 -0.779 -11.582 -3.427 107 H GLU 17 H GLU 17 -2.089 -8.774 -2.510 108 HA GLU 17 HA GLU 17 -2.669 -7.917 -5.261 109 HB2 GLU 17 1HB GLU 17 -4.486 -8.209 -3.574 110 HB3 GLU 17 2HB GLU 17 -3.790 -6.905 -2.620 111 HG2 GLU 17 1HG GLU 17 -4.169 -5.304 -4.438 112 HG3 GLU 17 2HG GLU 17 -4.746 -6.585 -5.493 113 H ARG 18 H ARG 18 -2.285 -5.901 -6.075 114 HA ARG 18 HA ARG 18 0.067 -4.508 -5.186 115 HB2 ARG 18 1HB ARG 18 -2.005 -4.046 -7.364 116 HB3 ARG 18 2HB ARG 18 -0.857 -2.764 -6.994 117 HG2 ARG 18 1HG ARG 18 0.061 -4.048 -8.824 118 HG3 ARG 18 2HG ARG 18 1.026 -4.417 -7.410 119 HD2 ARG 18 1HD ARG 18 -0.221 -6.524 -7.094 120 HD3 ARG 18 2HD ARG 18 -1.246 -6.135 -8.476 121 HE ARG 18 HE ARG 18 1.386 -6.053 -9.397 122 HH11 ARG 18 1HH2 ARG 18 -0.790 -8.371 -7.986 123 HH12 ARG 18 2HH2 ARG 18 -0.062 -9.731 -8.773 124 HH21 ARG 18 1HH1 ARG 18 2.334 -7.837 -10.421 125 HH22 ARG 18 2HH1 ARG 18 1.705 -9.428 -10.151 126 H VAL 19 H VAL 19 0.213 -2.449 -4.293 127 HA VAL 19 HA VAL 19 -2.161 -0.977 -3.480 128 HB VAL 19 HB VAL 19 -1.799 -2.872 -1.785 129 HG11 VAL 19 1HG1 VAL 19 0.450 -1.107 -0.754 130 HG12 VAL 19 2HG1 VAL 19 0.687 -2.622 -1.601 131 HG13 VAL 19 3HG1 VAL 19 -0.118 -2.608 -0.049 132 HG21 VAL 19 3HG2 VAL 19 -1.850 -0.062 -0.666 133 HG22 VAL 19 1HG2 VAL 19 -2.433 -1.522 0.141 134 HG23 VAL 19 2HG2 VAL 19 -3.247 -0.939 -1.303 135 H LEU 20 H LEU 20 -1.728 1.102 -2.788 136 HA LEU 20 HA LEU 20 1.008 2.097 -3.422 137 HB2 LEU 20 1HB LEU 20 -1.644 3.587 -3.314 138 HB3 LEU 20 2HB LEU 20 -0.104 4.211 -3.898 139 HG LEU 20 HG LEU 20 -1.666 1.910 -5.147 140 HD11 LEU 20 1HD1 LEU 20 -2.070 3.489 -7.013 141 HD12 LEU 20 2HD1 LEU 20 -1.253 4.761 -6.102 142 HD13 LEU 20 3HD1 LEU 20 -2.757 4.070 -5.498 143 HD21 LEU 20 3HD2 LEU 20 0.607 1.450 -5.689 144 HD22 LEU 20 1HD2 LEU 20 1.024 3.157 -5.857 145 HD23 LEU 20 2HD2 LEU 20 0.047 2.350 -7.087 146 H CYS 21 H CYS 21 2.179 3.103 -1.936 147 HA CYS 21 HA CYS 21 1.007 3.677 0.761 148 HB2 CYS 21 1HB CYS 21 2.497 1.697 0.735 149 HB3 CYS 21 2HB CYS 21 3.800 2.689 0.075 150 HG CYS 21 HG CYS 21 3.269 4.189 2.400 151 H PHE 22 H PHE 22 0.878 5.821 0.962 152 HA PHE 22 HA PHE 22 2.904 7.612 -0.269 153 HB2 PHE 22 1HB PHE 22 1.298 9.408 0.237 154 HB3 PHE 22 2HB PHE 22 0.542 8.137 -0.719 155 HD1 PHE 22 HD2 PHE 22 0.715 9.698 2.654 156 HD2 PHE 22 HD1 PHE 22 -1.186 6.644 0.276 157 HE1 PHE 22 HE2 PHE 22 -1.023 9.412 4.398 158 HE2 PHE 22 HE1 PHE 22 -2.920 6.368 2.028 159 HZ PHE 22 HZ PHE 22 -2.842 7.755 4.084 160 H HIS 23 H HIS 23 3.914 9.225 0.987 161 HA HIS 23 HA HIS 23 3.711 9.324 3.864 162 HB2 HIS 23 1HB HIS 23 6.024 8.479 4.321 163 HB3 HIS 23 2HB HIS 23 4.966 7.215 3.694 164 HD1 HIS 23 HD1 HIS 23 7.505 9.723 2.332 165 HD2 HIS 23 HD2 HIS 23 6.012 5.921 1.493 166 HE1 HIS 23 HE1 HIS 23 8.843 8.844 0.369 167 HE2 HIS 23 HE2 HIS 23 7.944 6.528 -0.154 168 H GLY 24 H GLY 24 3.851 10.955 1.318 169 HA2 GLY 24 1HA GLY 24 5.121 13.254 2.382 170 HA3 GLY 24 2HA GLY 24 6.203 12.469 1.242 171 HA PRO 25 HA PRO 25 3.345 15.160 -1.245 172 HB2 PRO 25 1HB PRO 25 5.122 16.466 -2.811 173 HB3 PRO 25 2HB PRO 25 4.952 16.882 -1.089 174 HG2 PRO 25 1HG PRO 25 7.030 15.124 -2.395 175 HG3 PRO 25 2HG PRO 25 7.265 16.430 -1.210 176 HD2 PRO 25 1HD PRO 25 7.147 13.746 -0.493 177 HD3 PRO 25 2HD PRO 25 6.663 15.048 0.620 178 H LEU 26 H LEU 26 5.038 12.411 -1.855 179 HA LEU 26 HA LEU 26 3.818 12.064 -4.553 180 HB2 LEU 26 1HB LEU 26 6.684 11.521 -3.741 181 HB3 LEU 26 2HB LEU 26 5.971 10.655 -5.096 182 HG LEU 26 HG LEU 26 5.940 13.723 -5.005 183 HD11 LEU 26 1HD1 LEU 26 8.301 13.013 -4.812 184 HD12 LEU 26 2HD1 LEU 26 7.993 13.697 -6.405 185 HD13 LEU 26 3HD1 LEU 26 8.103 11.945 -6.203 186 HD21 LEU 26 3HD2 LEU 26 5.782 13.461 -7.498 187 HD22 LEU 26 1HD2 LEU 26 4.450 12.635 -6.708 188 HD23 LEU 26 2HD2 LEU 26 5.814 11.710 -7.313 189 H ILE 27 H ILE 27 3.304 9.998 -5.136 190 HA ILE 27 HA ILE 27 2.781 8.126 -2.885 191 HB ILE 27 HB ILE 27 1.587 8.231 -5.691 192 HG12 ILE 27 1HG1 ILE 27 0.353 9.084 -3.026 193 HG13 ILE 27 2HG1 ILE 27 1.005 10.217 -4.202 194 HG21 ILE 27 1HG2 ILE 27 0.808 6.619 -3.225 195 HG22 ILE 27 2HG2 ILE 27 1.511 5.954 -4.698 196 HG23 ILE 27 3HG2 ILE 27 -0.098 6.646 -4.735 197 HD11 ILE 27 3HD1 ILE 27 -1.402 10.078 -4.491 198 HD12 ILE 27 1HD1 ILE 27 -1.325 8.325 -4.648 199 HD13 ILE 27 2HD1 ILE 27 -0.621 9.356 -5.895 200 H TYR 28 H TYR 28 3.868 6.273 -2.757 201 HA TYR 28 HA TYR 28 5.624 5.355 -4.998 202 HB2 TYR 28 1HB TYR 28 5.747 4.838 -1.999 203 HB3 TYR 28 2HB TYR 28 6.916 4.263 -3.193 204 HD1 TYR 28 HD1 TYR 28 5.556 7.287 -1.483 205 HD2 TYR 28 HD2 TYR 28 8.518 5.832 -4.264 206 HE1 TYR 28 HE1 TYR 28 6.727 9.471 -1.396 207 HE2 TYR 28 HE2 TYR 28 9.680 8.021 -4.156 208 HH TYR 28 HH TYR 28 8.440 10.721 -3.250 209 H GLU 29 H GLU 29 5.722 3.144 -5.468 210 HA GLU 29 HA GLU 29 3.193 1.702 -5.173 211 HB2 GLU 29 1HB GLU 29 4.430 1.825 -7.335 212 HB3 GLU 29 2HB GLU 29 5.751 0.903 -6.626 213 HG2 GLU 29 1HG GLU 29 4.230 -1.019 -6.242 214 HG3 GLU 29 2HG GLU 29 2.875 -0.088 -6.870 215 H ALA 30 H ALA 30 2.898 -0.242 -4.134 216 HA ALA 30 HA ALA 30 5.069 -1.657 -2.778 217 HB1 ALA 30 3HB ALA 30 2.793 -0.372 -1.218 218 HB2 ALA 30 1HB ALA 30 4.484 0.127 -1.160 219 HB3 ALA 30 2HB ALA 30 4.013 -1.460 -0.552 220 H LYS 31 H LYS 31 3.956 -3.503 -1.424 221 HA LYS 31 HA LYS 31 1.475 -4.538 -2.661 222 HB2 LYS 31 1HB LYS 31 3.256 -5.256 -4.189 223 HB3 LYS 31 2HB LYS 31 4.128 -5.955 -2.849 224 HG2 LYS 31 1HG LYS 31 2.350 -7.614 -2.469 225 HG3 LYS 31 2HG LYS 31 1.328 -6.818 -3.658 226 HD2 LYS 31 1HD LYS 31 2.267 -8.786 -4.717 227 HD3 LYS 31 2HD LYS 31 3.053 -7.385 -5.433 228 HE2 LYS 31 1HE LYS 31 5.067 -7.780 -4.106 229 HE3 LYS 31 2HE LYS 31 4.252 -9.027 -3.157 230 HZ1 LYS 31 3HZ LYS 31 3.918 -9.736 -5.796 231 HZ2 LYS 31 1HZ LYS 31 4.950 -10.467 -4.665 232 HZ3 LYS 31 2HZ LYS 31 5.536 -9.232 -5.674 233 H VAL 32 H VAL 32 0.388 -5.914 -1.400 234 HA VAL 32 HA VAL 32 1.190 -6.103 1.410 235 HB VAL 32 HB VAL 32 -1.343 -7.212 0.107 236 HG11 VAL 32 1HG1 VAL 32 -0.868 -8.073 2.392 237 HG12 VAL 32 2HG1 VAL 32 -2.263 -7.000 2.413 238 HG13 VAL 32 3HG1 VAL 32 -0.698 -6.420 2.985 239 HG21 VAL 32 3HG2 VAL 32 -1.154 -4.794 -0.369 240 HG22 VAL 32 1HG2 VAL 32 -0.873 -4.471 1.343 241 HG23 VAL 32 2HG2 VAL 32 -2.431 -5.095 0.803 242 H LEU 33 H LEU 33 2.287 -7.833 2.179 243 HA LEU 33 HA LEU 33 2.370 -10.348 0.624 244 HB2 LEU 33 1HB LEU 33 4.528 -9.381 1.359 245 HB3 LEU 33 2HB LEU 33 4.010 -9.468 3.021 246 HG LEU 33 HG LEU 33 3.956 -11.938 2.920 247 HD11 LEU 33 1HD1 LEU 33 4.609 -11.532 -0.023 248 HD12 LEU 33 2HD1 LEU 33 3.342 -12.527 0.700 249 HD13 LEU 33 3HD1 LEU 33 5.015 -13.038 0.805 250 HD21 LEU 33 3HD2 LEU 33 6.385 -12.325 2.661 251 HD22 LEU 33 1HD2 LEU 33 6.077 -10.813 3.514 252 HD23 LEU 33 2HD2 LEU 33 6.544 -10.787 1.811 253 H LYS 34 H LYS 34 1.277 -9.029 3.682 254 HA LYS 34 HA LYS 34 -0.313 -11.447 4.175 255 HB2 LYS 34 1HB LYS 34 1.907 -11.958 5.169 256 HB3 LYS 34 2HB LYS 34 1.784 -10.543 6.190 257 HG2 LYS 34 1HG LYS 34 -0.355 -11.532 7.174 258 HG3 LYS 34 2HG LYS 34 -0.035 -12.991 6.245 259 HD2 LYS 34 1HD LYS 34 1.773 -11.795 8.389 260 HD3 LYS 34 2HD LYS 34 0.763 -13.223 8.578 261 HE2 LYS 34 1HE LYS 34 2.127 -14.207 6.563 262 HE3 LYS 34 2HE LYS 34 3.290 -12.926 6.923 263 HZ1 LYS 34 3HZ LYS 34 2.273 -14.683 9.058 264 HZ2 LYS 34 1HZ LYS 34 3.707 -13.775 9.005 265 HZ3 LYS 34 2HZ LYS 34 3.556 -15.178 8.058 266 H THR 35 H THR 35 -2.046 -11.086 5.481 267 HA THR 35 HA THR 35 -2.468 -8.353 6.625 268 HB THR 35 HB THR 35 -3.600 -8.350 4.473 269 HG1 THR 35 HG1 THR 35 -5.283 -8.820 6.699 270 HG21 THR 35 3HG2 THR 35 -5.317 -10.041 3.910 271 HG22 THR 35 1HG2 THR 35 -4.935 -10.938 5.375 272 HG23 THR 35 2HG2 THR 35 -3.736 -10.798 4.090 273 H LYS 36 H LYS 36 -3.735 -8.254 8.425 274 HA LYS 36 HA LYS 36 -4.459 -10.886 9.694 275 HB2 LYS 36 1HB LYS 36 -2.680 -9.586 10.838 276 HB3 LYS 36 2HB LYS 36 -3.816 -8.281 11.082 277 HG2 LYS 36 1HG LYS 36 -5.282 -9.752 12.429 278 HG3 LYS 36 2HG LYS 36 -4.206 -11.112 12.119 279 HD2 LYS 36 1HD LYS 36 -2.369 -9.923 13.304 280 HD3 LYS 36 2HD LYS 36 -3.464 -8.585 13.645 281 HE2 LYS 36 1HE LYS 36 -4.932 -10.110 14.936 282 HE3 LYS 36 2HE LYS 36 -3.849 -11.457 14.582 283 HZ1 LYS 36 3HZ LYS 36 -3.668 -9.767 16.707 284 HZ2 LYS 36 1HZ LYS 36 -2.470 -9.197 15.649 285 HZ3 LYS 36 2HZ LYS 36 -2.450 -10.818 16.157 286 HA PRO 37 HA PRO 37 -8.500 -8.627 9.192 287 HB2 PRO 37 1HB PRO 37 -10.019 -10.512 8.058 288 HB3 PRO 37 2HB PRO 37 -8.672 -9.811 7.121 289 HG2 PRO 37 1HG PRO 37 -8.694 -12.391 8.702 290 HG3 PRO 37 2HG PRO 37 -8.213 -12.142 7.006 291 HD2 PRO 37 1HD PRO 37 -6.375 -12.159 9.085 292 HD3 PRO 37 2HD PRO 37 -6.118 -11.204 7.608 293 H ASP 38 H ASP 38 -7.324 -10.628 11.388 294 HA ASP 38 HA ASP 38 -9.693 -11.760 12.617 295 HB2 ASP 38 1HB ASP 38 -6.851 -11.389 13.619 296 HB3 ASP 38 2HB ASP 38 -8.091 -12.342 14.436 297 H ALA 39 H ALA 39 -9.036 -8.663 12.241 298 HA ALA 39 HA ALA 39 -10.519 -7.829 14.594 299 HB1 ALA 39 3HB ALA 39 -8.751 -6.359 15.525 300 HB2 ALA 39 1HB ALA 39 -7.609 -6.990 14.338 301 HB3 ALA 39 2HB ALA 39 -8.263 -8.054 15.575 302 H THR 40 H THR 40 -11.104 -5.606 14.550 303 HA THR 40 HA THR 40 -10.586 -4.099 12.050 304 HB THR 40 HB THR 40 -12.980 -3.677 11.725 305 HG1 THR 40 HG1 THR 40 -13.258 -5.463 13.911 306 HG21 THR 40 3HG2 THR 40 -13.634 -5.883 10.932 307 HG22 THR 40 1HG2 THR 40 -12.517 -6.672 12.038 308 HG23 THR 40 2HG2 THR 40 -11.894 -5.735 10.678 309 HA PRO 41 HA PRO 41 -9.779 -2.052 11.606 310 HB2 PRO 41 1HB PRO 41 -7.930 -0.239 12.440 311 HB3 PRO 41 2HB PRO 41 -9.613 0.251 12.132 312 HG2 PRO 41 1HG PRO 41 -8.368 -0.543 14.778 313 HG3 PRO 41 2HG PRO 41 -9.246 0.957 14.381 314 HD2 PRO 41 1HD PRO 41 -10.580 -1.066 15.559 315 HD3 PRO 41 2HD PRO 41 -11.357 -0.176 14.224 316 H VAL 42 H VAL 42 -7.241 -2.143 11.321 317 HA VAL 42 HA VAL 42 -5.722 -3.602 13.289 318 HB VAL 42 HB VAL 42 -7.337 -5.364 12.508 319 HG11 VAL 42 1HG1 VAL 42 -7.516 -4.448 10.141 320 HG12 VAL 42 2HG1 VAL 42 -7.327 -6.191 10.236 321 HG13 VAL 42 3HG1 VAL 42 -5.947 -5.187 9.806 322 HG21 VAL 42 3HG2 VAL 42 -4.856 -5.853 13.240 323 HG22 VAL 42 1HG2 VAL 42 -4.570 -6.136 11.528 324 HG23 VAL 42 2HG2 VAL 42 -5.724 -7.125 12.408 325 H GLU 43 H GLU 43 -3.686 -4.600 12.155 326 HA GLU 43 HA GLU 43 -2.543 -2.537 10.364 327 HB2 GLU 43 1HB GLU 43 -0.360 -3.546 11.084 328 HB3 GLU 43 2HB GLU 43 -1.297 -2.903 12.433 329 HG2 GLU 43 1HG GLU 43 -2.117 -5.189 12.960 330 HG3 GLU 43 2HG GLU 43 -1.189 -5.844 11.617 331 H TYR 44 H TYR 44 -1.075 -3.274 8.697 332 HA TYR 44 HA TYR 44 -1.655 -5.941 7.505 333 HB2 TYR 44 1HB TYR 44 -1.739 -3.239 6.113 334 HB3 TYR 44 2HB TYR 44 -1.869 -4.799 5.301 335 HD1 TYR 44 HD2 TYR 44 -3.521 -2.547 7.805 336 HD2 TYR 44 HD1 TYR 44 -3.981 -6.067 5.356 337 HE1 TYR 44 HE2 TYR 44 -5.938 -2.637 8.352 338 HE2 TYR 44 HE1 TYR 44 -6.394 -6.133 5.923 339 HH TYR 44 HH TYR 44 -8.094 -3.723 7.001 340 H TYR 45 H TYR 45 -0.057 -6.794 6.281 341 HA TYR 45 HA TYR 45 2.653 -5.808 6.872 342 HB2 TYR 45 1HB TYR 45 1.867 -8.266 6.962 343 HB3 TYR 45 2HB TYR 45 2.023 -8.268 5.220 344 HD1 TYR 45 HD1 TYR 45 4.326 -7.403 4.210 345 HD2 TYR 45 HD2 TYR 45 3.851 -8.724 8.284 346 HE1 TYR 45 HE1 TYR 45 6.755 -7.833 4.364 347 HE2 TYR 45 HE2 TYR 45 6.288 -9.136 8.420 348 HH TYR 45 HH TYR 45 8.468 -8.114 5.925 349 H ILE 46 H ILE 46 3.127 -4.093 5.660 350 HA ILE 46 HA ILE 46 2.837 -4.170 2.689 351 HB ILE 46 HB ILE 46 2.872 -1.986 4.805 352 HG12 ILE 46 1HG1 ILE 46 0.950 -1.100 3.598 353 HG13 ILE 46 2HG1 ILE 46 1.261 -2.131 2.204 354 HG21 ILE 46 1HG2 ILE 46 3.807 -1.571 1.934 355 HG22 ILE 46 2HG2 ILE 46 4.670 -1.126 3.410 356 HG23 ILE 46 3HG2 ILE 46 3.222 -0.245 2.940 357 HD11 ILE 46 3HD1 ILE 46 -0.634 -2.821 3.762 358 HD12 ILE 46 1HD1 ILE 46 0.606 -3.282 4.925 359 HD13 ILE 46 2HD1 ILE 46 0.532 -4.071 3.345 360 H HIS 47 H HIS 47 4.571 -4.031 1.413 361 HA HIS 47 HA HIS 47 7.271 -3.516 2.515 362 HB2 HIS 47 1HB HIS 47 8.195 -5.531 1.517 363 HB3 HIS 47 2HB HIS 47 6.860 -6.006 2.563 364 HD1 HIS 47 HD1 HIS 47 5.050 -7.405 1.482 365 HD2 HIS 47 HD2 HIS 47 7.354 -5.399 -1.337 366 HE1 HIS 47 HE1 HIS 47 4.357 -8.286 -0.795 367 HE2 HIS 47 HE2 HIS 47 5.827 -7.141 -2.500 368 H TYR 48 H TYR 48 8.650 -2.584 1.033 369 HA TYR 48 HA TYR 48 7.441 -1.380 -1.331 370 HB2 TYR 48 1HB TYR 48 10.299 -1.285 -0.274 371 HB3 TYR 48 2HB TYR 48 9.645 -0.269 -1.559 372 HD1 TYR 48 HD2 TYR 48 7.715 1.324 -1.065 373 HD2 TYR 48 HD1 TYR 48 9.830 -0.732 2.085 374 HE1 TYR 48 HE2 TYR 48 6.790 2.905 0.607 375 HE2 TYR 48 HE1 TYR 48 8.891 0.860 3.739 376 HH TYR 48 HH TYR 48 6.401 3.149 2.882 377 H ALA 49 H ALA 49 7.642 -2.043 -3.395 378 HA ALA 49 HA ALA 49 8.549 -4.654 -4.045 379 HB1 ALA 49 3HB ALA 49 7.969 -2.303 -5.888 380 HB2 ALA 49 1HB ALA 49 6.782 -3.470 -5.305 381 HB3 ALA 49 2HB ALA 49 8.077 -3.995 -6.381 382 H GLY 50 H GLY 50 10.486 -5.398 -4.740 383 HA2 GLY 50 1HA GLY 50 12.617 -5.426 -5.675 384 HA3 GLY 50 2HA GLY 50 12.534 -3.688 -5.934 385 H TRP 51 H TRP 51 11.804 -5.018 -2.800 386 HA TRP 51 HA TRP 51 14.518 -4.443 -1.730 387 HB2 TRP 51 1HB TRP 51 11.947 -3.173 -0.700 388 HB3 TRP 51 2HB TRP 51 13.529 -3.044 0.073 389 HD1 TRP 51 HD1 TRP 51 11.462 -1.505 -2.653 390 HE1 TRP 51 HE1 TRP 51 12.820 0.316 -3.867 391 HE3 TRP 51 HE3 TRP 51 16.091 -2.447 -0.728 392 HZ2 TRP 51 HZ2 TRP 51 15.517 1.250 -4.004 393 HZ3 TRP 51 HZ3 TRP 51 18.042 -1.077 -1.417 394 HH2 TRP 51 HH2 TRP 51 17.761 0.769 -3.051 395 H SER 52 H SER 52 14.782 -5.159 0.472 396 HA SER 52 HA SER 52 13.889 -7.834 0.846 397 HB2 SER 52 1HB SER 52 15.223 -5.923 2.792 398 HB3 SER 52 2HB SER 52 15.072 -7.667 3.022 399 HG SER 52 HG SER 52 16.268 -6.480 0.740 400 H LYS 53 H LYS 53 12.326 -8.682 2.162 401 HA LYS 53 HA LYS 53 10.188 -6.929 3.105 402 HB2 LYS 53 1HB LYS 53 8.943 -9.029 3.483 403 HB3 LYS 53 2HB LYS 53 9.585 -8.938 1.842 404 HG2 LYS 53 1HG LYS 53 11.489 -10.395 2.512 405 HG3 LYS 53 2HG LYS 53 10.822 -10.514 4.142 406 HD2 LYS 53 1HD LYS 53 8.751 -11.542 3.229 407 HD3 LYS 53 2HD LYS 53 9.414 -11.426 1.596 408 HE2 LYS 53 1HE LYS 53 10.631 -13.032 3.875 409 HE3 LYS 53 2HE LYS 53 9.729 -13.704 2.516 410 HZ1 LYS 53 3HZ LYS 53 12.411 -12.537 2.576 411 HZ2 LYS 53 1HZ LYS 53 11.488 -12.321 1.170 412 HZ3 LYS 53 2HZ LYS 53 11.834 -13.889 1.725 413 H ASN 54 H ASN 54 13.015 -8.077 4.458 414 HA ASN 54 HA ASN 54 12.161 -8.873 7.055 415 HB2 ASN 54 1HB ASN 54 14.417 -9.352 6.103 416 HB3 ASN 54 2HB ASN 54 14.826 -7.646 6.234 417 HD21 ASN 54 2HD2 ASN 54 16.456 -7.860 7.891 418 HD22 ASN 54 1HD2 ASN 54 16.104 -8.418 9.455 419 H TRP 55 H TRP 55 12.088 -5.871 5.529 420 HA TRP 55 HA TRP 55 12.594 -4.127 7.770 421 HB2 TRP 55 1HB TRP 55 11.178 -3.722 5.102 422 HB3 TRP 55 2HB TRP 55 11.416 -2.420 6.266 423 HD1 TRP 55 HD1 TRP 55 13.678 -5.098 4.576 424 HE1 TRP 55 HE1 TRP 55 15.909 -3.974 3.954 425 HE3 TRP 55 HE3 TRP 55 12.827 -0.383 6.360 426 HZ2 TRP 55 HZ2 TRP 55 17.171 -1.423 4.178 427 HZ3 TRP 55 HZ3 TRP 55 14.564 1.373 6.143 428 HH2 TRP 55 HH2 TRP 55 16.735 0.860 5.055 429 H ASP 56 H ASP 56 9.875 -5.944 6.626 430 HA ASP 56 HA ASP 56 7.641 -6.049 7.242 431 HB2 ASP 56 1HB ASP 56 8.994 -5.895 9.957 432 HB3 ASP 56 2HB ASP 56 7.400 -6.581 9.640 433 H GLU 57 H GLU 57 7.218 -3.786 6.387 434 HA GLU 57 HA GLU 57 6.946 -1.660 8.386 435 HB2 GLU 57 1HB GLU 57 7.679 -1.232 6.011 436 HB3 GLU 57 2HB GLU 57 6.062 -1.654 5.476 437 HG2 GLU 57 1HG GLU 57 5.119 0.180 6.860 438 HG3 GLU 57 2HG GLU 57 6.741 0.605 7.396 439 H TRP 58 H TRP 58 5.415 -2.668 9.785 440 HA TRP 58 HA TRP 58 2.735 -3.335 8.856 441 HB2 TRP 58 1HB TRP 58 4.199 -3.342 11.508 442 HB3 TRP 58 2HB TRP 58 2.442 -3.338 11.549 443 HD1 TRP 58 HD1 TRP 58 1.432 -5.320 9.646 444 HE1 TRP 58 HE1 TRP 58 2.079 -7.812 9.661 445 HE3 TRP 58 HE3 TRP 58 5.866 -5.064 12.167 446 HZ2 TRP 58 HZ2 TRP 58 4.188 -9.489 10.610 447 HZ3 TRP 58 HZ3 TRP 58 7.174 -7.125 12.620 448 HH2 TRP 58 HH2 TRP 58 6.341 -9.333 11.846 449 H VAL 59 H VAL 59 1.165 -1.844 8.550 450 HA VAL 59 HA VAL 59 1.148 0.599 10.222 451 HB VAL 59 HB VAL 59 0.649 1.966 8.064 452 HG11 VAL 59 1HG1 VAL 59 3.437 0.863 8.522 453 HG12 VAL 59 2HG1 VAL 59 2.741 2.273 9.307 454 HG13 VAL 59 3HG1 VAL 59 3.070 2.301 7.573 455 HG21 VAL 59 3HG2 VAL 59 2.038 -0.441 6.803 456 HG22 VAL 59 1HG2 VAL 59 1.584 1.048 5.979 457 HG23 VAL 59 2HG2 VAL 59 0.336 -0.034 6.590 458 HA PRO 60 HA PRO 60 -3.243 0.054 10.209 459 HB2 PRO 60 1HB PRO 60 -3.721 3.013 10.309 460 HB3 PRO 60 2HB PRO 60 -4.011 1.801 11.577 461 HG2 PRO 60 1HG PRO 60 -2.018 3.583 11.830 462 HG3 PRO 60 2HG PRO 60 -1.792 1.893 12.347 463 HD2 PRO 60 1HD PRO 60 -0.971 3.134 9.686 464 HD3 PRO 60 2HD PRO 60 0.035 2.257 10.852 465 H GLU 61 H GLU 61 -5.188 0.347 8.991 466 HA GLU 61 HA GLU 61 -4.932 0.384 6.222 467 HB2 GLU 61 1HB GLU 61 -6.864 -0.547 7.457 468 HB3 GLU 61 2HB GLU 61 -7.417 1.075 7.835 469 HG2 GLU 61 1HG GLU 61 -7.019 0.184 4.933 470 HG3 GLU 61 2HG GLU 61 -8.520 -0.146 5.782 471 H ASN 62 H ASN 62 -5.366 3.070 8.400 472 HA ASN 62 HA ASN 62 -6.309 5.045 6.624 473 HB2 ASN 62 1HB ASN 62 -4.486 5.391 9.036 474 HB3 ASN 62 2HB ASN 62 -5.460 6.660 8.289 475 HD21 ASN 62 2HD2 ASN 62 -7.826 4.974 7.803 476 HD22 ASN 62 1HD2 ASN 62 -8.505 4.640 9.322 477 H ARG 63 H ARG 63 -2.954 4.075 7.374 478 HA ARG 63 HA ARG 63 -1.813 6.084 5.588 479 HB2 ARG 63 1HB ARG 63 -0.812 5.036 7.824 480 HB3 ARG 63 2HB ARG 63 -0.257 3.766 6.756 481 HG2 ARG 63 1HG ARG 63 1.623 5.214 6.707 482 HG3 ARG 63 2HG ARG 63 0.738 5.794 5.302 483 HD2 ARG 63 1HD ARG 63 -0.309 7.565 6.762 484 HD3 ARG 63 2HD ARG 63 0.694 7.011 8.095 485 HE ARG 63 HE ARG 63 2.358 7.580 5.876 486 HH11 ARG 63 1HH2 ARG 63 0.340 9.161 8.229 487 HH12 ARG 63 2HH2 ARG 63 1.188 10.669 8.143 488 HH21 ARG 63 1HH1 ARG 63 3.461 9.570 5.764 489 HH22 ARG 63 2HH1 ARG 63 2.949 10.898 6.750 490 H VAL 64 H VAL 64 -3.371 3.252 4.979 491 HA VAL 64 HA VAL 64 -1.688 2.500 2.620 492 HB VAL 64 HB VAL 64 -3.838 0.901 4.066 493 HG11 VAL 64 1HG1 VAL 64 -2.939 -1.004 2.721 494 HG12 VAL 64 2HG1 VAL 64 -1.867 0.118 1.881 495 HG13 VAL 64 3HG1 VAL 64 -3.609 0.250 1.685 496 HG21 VAL 64 3HG2 VAL 64 -1.795 1.234 5.451 497 HG22 VAL 64 1HG2 VAL 64 -0.800 0.645 4.127 498 HG23 VAL 64 2HG2 VAL 64 -1.936 -0.439 4.933 499 H LEU 65 H LEU 65 -2.547 2.528 0.606 500 HA LEU 65 HA LEU 65 -5.364 3.459 0.261 501 HB2 LEU 65 1HB LEU 65 -3.749 5.289 -0.155 502 HB3 LEU 65 2HB LEU 65 -2.938 4.294 -1.352 503 HG LEU 65 HG LEU 65 -4.990 4.280 -2.762 504 HD11 LEU 65 1HD1 LEU 65 -6.835 6.019 -2.085 505 HD12 LEU 65 2HD1 LEU 65 -6.198 5.846 -0.450 506 HD13 LEU 65 3HD1 LEU 65 -6.856 4.447 -1.301 507 HD21 LEU 65 3HD2 LEU 65 -3.313 6.076 -3.083 508 HD22 LEU 65 1HD2 LEU 65 -4.156 7.077 -1.898 509 HD23 LEU 65 2HD2 LEU 65 -4.938 6.666 -3.425 510 H LYS 66 H LYS 66 -6.578 2.375 -1.146 511 HA LYS 66 HA LYS 66 -5.765 -0.157 -2.133 512 HB2 LYS 66 1HB LYS 66 -8.105 0.469 -1.524 513 HB3 LYS 66 2HB LYS 66 -8.181 1.506 -2.945 514 HG2 LYS 66 1HG LYS 66 -7.879 -0.438 -4.430 515 HG3 LYS 66 2HG LYS 66 -7.625 -1.494 -3.044 516 HD2 LYS 66 1HD LYS 66 -9.914 -1.777 -3.868 517 HD3 LYS 66 2HD LYS 66 -9.956 -1.034 -2.274 518 HE2 LYS 66 1HE LYS 66 -10.551 1.116 -3.195 519 HE3 LYS 66 2HE LYS 66 -10.076 0.633 -4.827 520 HZ1 LYS 66 3HZ LYS 66 -11.875 -1.116 -4.610 521 HZ2 LYS 66 1HZ LYS 66 -12.385 0.493 -4.785 522 HZ3 LYS 66 2HZ LYS 66 -12.418 -0.245 -3.257 523 H TYR 67 H TYR 67 -5.473 -0.878 -4.262 524 HA TYR 67 HA TYR 67 -4.127 1.026 -6.041 525 HB2 TYR 67 1HB TYR 67 -3.225 -1.254 -5.666 526 HB3 TYR 67 2HB TYR 67 -4.686 -1.961 -6.335 527 HD1 TYR 67 HD1 TYR 67 -1.915 0.461 -7.165 528 HD2 TYR 67 HD2 TYR 67 -4.778 -2.358 -8.742 529 HE1 TYR 67 HE1 TYR 67 -0.925 0.695 -9.425 530 HE2 TYR 67 HE2 TYR 67 -3.765 -2.114 -10.989 531 HH TYR 67 HH TYR 67 -0.922 -1.088 -11.626 532 H ASN 68 H ASN 68 -5.258 2.191 -7.452 533 HA ASN 68 HA ASN 68 -7.343 0.959 -9.110 534 HB2 ASN 68 1HB ASN 68 -8.554 1.795 -7.097 535 HB3 ASN 68 2HB ASN 68 -7.937 3.413 -7.405 536 HD21 ASN 68 2HD2 ASN 68 -9.609 0.815 -9.286 537 HD22 ASN 68 1HD2 ASN 68 -10.680 1.875 -10.068 538 H ASP 69 H ASP 69 -7.463 1.863 -11.081 539 HA ASP 69 HA ASP 69 -5.415 3.282 -12.214 540 HB2 ASP 69 1HB ASP 69 -7.001 3.778 -14.062 541 HB3 ASP 69 2HB ASP 69 -7.143 2.113 -13.498 542 H ASP 70 H ASP 70 -8.116 4.600 -10.397 543 HA ASP 70 HA ASP 70 -7.808 7.335 -11.218 544 HB2 ASP 70 1HB ASP 70 -9.912 6.404 -10.232 545 HB3 ASP 70 2HB ASP 70 -9.093 6.229 -8.684 546 H ASN 71 H ASN 71 -6.701 5.476 -8.367 547 HA ASN 71 HA ASN 71 -5.372 7.658 -7.085 548 HB2 ASN 71 1HB ASN 71 -4.775 4.679 -6.848 549 HB3 ASN 71 2HB ASN 71 -4.283 5.944 -5.718 550 HD21 ASN 71 2HD2 ASN 71 -6.191 3.540 -5.424 551 HD22 ASN 71 1HD2 ASN 71 -7.604 4.226 -4.785 552 H VAL 72 H VAL 72 -4.439 5.295 -9.498 553 HA VAL 72 HA VAL 72 -1.631 5.898 -9.577 554 HB VAL 72 HB VAL 72 -3.473 4.767 -11.732 555 HG11 VAL 72 1HG1 VAL 72 -0.427 4.819 -11.574 556 HG12 VAL 72 2HG1 VAL 72 -1.414 5.640 -12.782 557 HG13 VAL 72 3HG1 VAL 72 -1.346 3.885 -12.754 558 HG21 VAL 72 3HG2 VAL 72 -1.589 3.385 -9.773 559 HG22 VAL 72 1HG2 VAL 72 -2.550 2.576 -11.011 560 HG23 VAL 72 2HG2 VAL 72 -3.346 3.384 -9.664 561 H LYS 73 H LYS 73 -4.468 7.093 -11.320 562 HA LYS 73 HA LYS 73 -3.243 8.861 -13.104 563 HB2 LYS 73 1HB LYS 73 -5.732 8.216 -12.930 564 HB3 LYS 73 2HB LYS 73 -5.878 9.432 -11.684 565 HG2 LYS 73 1HG LYS 73 -6.484 10.734 -13.563 566 HG3 LYS 73 2HG LYS 73 -4.761 11.053 -13.506 567 HD2 LYS 73 1HD LYS 73 -5.050 10.511 -15.792 568 HD3 LYS 73 2HD LYS 73 -4.579 8.950 -15.139 569 HE2 LYS 73 1HE LYS 73 -7.012 8.335 -14.966 570 HE3 LYS 73 2HE LYS 73 -7.427 9.879 -15.702 571 HZ1 LYS 73 3HZ LYS 73 -6.827 7.539 -16.999 572 HZ2 LYS 73 1HZ LYS 73 -5.445 8.499 -17.206 573 HZ3 LYS 73 2HZ LYS 73 -6.964 9.080 -17.701 574 H ARG 74 H ARG 74 -4.160 9.326 -9.729 575 HA ARG 74 HA ARG 74 -3.517 12.093 -9.556 576 HB2 ARG 74 1HB ARG 74 -3.644 9.927 -7.422 577 HB3 ARG 74 2HB ARG 74 -3.397 11.632 -7.049 578 HG2 ARG 74 1HG ARG 74 -5.557 12.192 -8.128 579 HG3 ARG 74 2HG ARG 74 -5.808 10.493 -8.528 580 HD2 ARG 74 1HD ARG 74 -7.065 11.083 -6.490 581 HD3 ARG 74 2HD ARG 74 -5.785 9.931 -6.102 582 HE ARG 74 HE ARG 74 -4.809 12.578 -5.775 583 HH11 ARG 74 1HH2 ARG 74 -7.044 10.329 -4.343 584 HH12 ARG 74 2HH2 ARG 74 -6.865 10.969 -2.744 585 HH21 ARG 74 1HH1 ARG 74 -4.580 13.406 -3.678 586 HH22 ARG 74 2HH1 ARG 74 -5.473 12.707 -2.369 587 H ARG 75 H ARG 75 -1.609 9.133 -9.076 588 HA ARG 75 HA ARG 75 0.769 10.411 -8.117 589 HB2 ARG 75 1HB ARG 75 0.352 7.961 -7.887 590 HB3 ARG 75 2HB ARG 75 0.517 7.771 -9.628 591 HG2 ARG 75 1HG ARG 75 2.857 8.579 -9.519 592 HG3 ARG 75 2HG ARG 75 2.700 8.850 -7.788 593 HD2 ARG 75 1HD ARG 75 2.299 6.426 -7.452 594 HD3 ARG 75 2HD ARG 75 2.453 6.154 -9.186 595 HE ARG 75 HE ARG 75 4.601 6.501 -7.301 596 HH11 ARG 75 1HH2 ARG 75 3.650 7.059 -10.600 597 HH12 ARG 75 2HH2 ARG 75 5.274 7.106 -11.197 598 HH21 ARG 75 1HH1 ARG 75 6.719 6.557 -8.096 599 HH22 ARG 75 2HH1 ARG 75 7.007 6.823 -9.782 600 H GLN 76 H GLN 76 -0.438 9.543 -11.317 601 HA GLN 76 HA GLN 76 1.848 10.397 -12.815 602 HB2 GLN 76 1HB GLN 76 -1.078 10.049 -13.582 603 HB3 GLN 76 2HB GLN 76 0.192 10.423 -14.751 604 HG2 GLN 76 1HG GLN 76 1.384 8.338 -14.140 605 HG3 GLN 76 2HG GLN 76 0.141 7.961 -12.952 606 HE21 GLN 76 2HE2 GLN 76 1.059 7.320 -16.128 607 HE22 GLN 76 1HE2 GLN 76 -0.446 6.824 -16.733 608 H GLU 77 H GLU 77 -1.089 11.951 -11.642 609 HA GLU 77 HA GLU 77 -0.770 14.449 -13.001 610 HB2 GLU 77 1HB GLU 77 -2.892 13.616 -11.858 611 HB3 GLU 77 2HB GLU 77 -2.136 13.977 -10.314 612 HG2 GLU 77 1HG GLU 77 -3.523 15.886 -10.879 613 HG3 GLU 77 2HG GLU 77 -1.857 16.392 -11.108 614 H LEU 78 H LEU 78 0.074 13.367 -9.727 615 HA LEU 78 HA LEU 78 1.412 15.709 -8.873 616 HB2 LEU 78 1HB LEU 78 1.637 12.799 -8.045 617 HB3 LEU 78 2HB LEU 78 2.480 14.079 -7.183 618 HG LEU 78 HG LEU 78 -0.563 14.171 -7.560 619 HD11 LEU 78 1HD1 LEU 78 0.952 12.909 -5.236 620 HD12 LEU 78 2HD1 LEU 78 -0.042 12.044 -6.408 621 HD13 LEU 78 3HD1 LEU 78 -0.792 13.179 -5.291 622 HD21 LEU 78 3HD2 LEU 78 1.317 15.455 -5.515 623 HD22 LEU 78 1HD2 LEU 78 -0.439 15.597 -5.483 624 HD23 LEU 78 2HD2 LEU 78 0.471 16.302 -6.806 625 H ALA 79 H ALA 79 2.525 12.808 -10.552 626 HA ALA 79 HA ALA 79 5.294 13.289 -10.462 627 HB1 ALA 79 3HB ALA 79 5.456 11.782 -12.382 628 HB2 ALA 79 1HB ALA 79 3.729 11.961 -12.691 629 HB3 ALA 79 2HB ALA 79 4.282 11.164 -11.218 630 H ARG 80 H ARG 80 2.847 14.367 -12.800 631 HA ARG 80 HA ARG 80 4.653 15.833 -14.491 632 HB2 ARG 80 1HB ARG 80 1.631 15.908 -14.111 633 HB3 ARG 80 2HB ARG 80 2.462 16.887 -15.322 634 HG2 ARG 80 1HG ARG 80 3.356 14.848 -16.393 635 HG3 ARG 80 2HG ARG 80 2.593 13.843 -15.171 636 HD2 ARG 80 1HD ARG 80 0.362 14.644 -15.895 637 HD3 ARG 80 2HD ARG 80 1.127 15.655 -17.123 638 HE ARG 80 HE ARG 80 2.029 13.023 -17.519 639 HH11 ARG 80 1HH2 ARG 80 -0.931 14.843 -17.647 640 HH12 ARG 80 2HH2 ARG 80 -1.649 13.846 -18.869 641 HH21 ARG 80 1HH1 ARG 80 1.078 11.720 -19.123 642 HH22 ARG 80 2HH1 ARG 80 -0.513 12.084 -19.702 643 H GLN 81 H GLN 81 2.664 16.593 -11.677 644 HA GLN 81 HA GLN 81 2.911 19.401 -11.714 645 HB2 GLN 81 1HB GLN 81 1.397 17.829 -10.240 646 HB3 GLN 81 2HB GLN 81 2.753 17.782 -9.126 647 HG2 GLN 81 1HG GLN 81 1.335 20.313 -10.070 648 HG3 GLN 81 2HG GLN 81 1.114 19.549 -8.501 649 HE21 GLN 81 2HE2 GLN 81 3.027 19.528 -7.022 650 HE22 GLN 81 1HE2 GLN 81 4.226 20.715 -7.196 651 H CYS 82 H CYS 82 4.830 16.997 -9.885 652 HA CYS 82 HA CYS 82 6.730 18.874 -8.882 653 HB2 CYS 82 1HB CYS 82 8.025 16.908 -8.215 654 HB3 CYS 82 2HB CYS 82 6.320 16.627 -7.875 655 HG CYS 82 HG CYS 82 7.401 14.541 -9.138 656 H GLY 83 H GLY 83 6.377 17.252 -11.917 657 HA2 GLY 83 1HA GLY 83 9.034 17.218 -12.854 658 HA3 GLY 83 2HA GLY 83 7.592 17.265 -13.859 659 H GLU 84 H GLU 84 6.531 19.736 -13.006 660 HA GLU 84 HA GLU 84 7.901 21.561 -14.668 661 HB2 GLU 84 1HB GLU 84 5.822 22.042 -12.500 662 HB3 GLU 84 2HB GLU 84 6.297 23.229 -13.715 663 HG2 GLU 84 1HG GLU 84 5.546 21.695 -15.513 664 HG3 GLU 84 2HG GLU 84 5.079 20.502 -14.307 665 H ARG 85 H ARG 85 9.297 23.188 -14.244 666 HA ARG 85 HA ARG 85 9.984 24.178 -11.645 667 HB2 ARG 85 1HB ARG 85 11.086 21.931 -11.536 668 HB3 ARG 85 2HB ARG 85 12.030 22.340 -12.962 669 HG2 ARG 85 1HG ARG 85 13.078 24.232 -11.744 670 HG3 ARG 85 2HG ARG 85 12.088 23.873 -10.327 671 HD2 ARG 85 1HD ARG 85 14.343 22.925 -10.051 672 HD3 ARG 85 2HD ARG 85 13.156 21.625 -10.181 673 HE ARG 85 HE ARG 85 14.172 22.252 -12.760 674 HH11 ARG 85 1HH2 ARG 85 15.119 20.801 -9.747 675 HH12 ARG 85 2HH2 ARG 85 16.276 19.735 -10.472 676 HH21 ARG 85 1HH1 ARG 85 15.684 20.858 -13.702 677 HH22 ARG 85 2HH1 ARG 85 16.595 19.769 -12.711 Start of MODEL 8 1 H1 MET 1 1H MET 1 -29.156 -12.898 15.429 2 H2 MET 1 2H MET 1 -28.532 -11.728 16.494 3 H3 MET 1 3H MET 1 -28.405 -13.380 16.872 4 HA MET 1 HA MET 1 -26.868 -11.770 14.974 5 HB2 MET 1 1HB MET 1 -26.038 -12.445 17.264 6 HB3 MET 1 2HB MET 1 -26.163 -14.133 16.780 7 HG2 MET 1 1HG MET 1 -23.844 -13.460 16.490 8 HG3 MET 1 2HG MET 1 -24.529 -13.599 14.877 9 HE1 MET 1 3HE MET 1 -21.871 -11.952 15.952 10 HE2 MET 1 1HE MET 1 -21.945 -10.653 14.751 11 HE3 MET 1 2HE MET 1 -22.312 -12.311 14.283 12 H ASN 2 H ASN 2 -28.099 -12.449 13.095 13 HA ASN 2 HA ASN 2 -28.469 -15.151 12.308 14 HB2 ASN 2 1HB ASN 2 -28.910 -14.188 10.064 15 HB3 ASN 2 2HB ASN 2 -29.752 -13.294 11.328 16 HD21 ASN 2 2HD2 ASN 2 -29.339 -11.055 11.445 17 HD22 ASN 2 1HD2 ASN 2 -28.114 -10.270 10.572 18 H TYR 3 H TYR 3 -25.813 -12.884 11.848 19 HA TYR 3 HA TYR 3 -24.348 -14.377 9.912 20 HB2 TYR 3 1HB TYR 3 -23.360 -12.382 11.995 21 HB3 TYR 3 2HB TYR 3 -22.455 -12.918 10.581 22 HD1 TYR 3 HD2 TYR 3 -23.228 -12.305 8.259 23 HD2 TYR 3 HD1 TYR 3 -25.217 -10.759 11.764 24 HE1 TYR 3 HE2 TYR 3 -24.345 -10.574 6.877 25 HE2 TYR 3 HE1 TYR 3 -26.320 -9.035 10.365 26 HH TYR 3 HH TYR 3 -26.103 -9.081 6.865 27 H SER 4 H SER 4 -22.769 -15.911 10.151 28 HA SER 4 HA SER 4 -21.626 -16.682 12.703 29 HB2 SER 4 1HB SER 4 -23.573 -18.589 11.355 30 HB3 SER 4 2HB SER 4 -22.568 -18.967 12.754 31 HG SER 4 HG SER 4 -23.689 -16.896 13.564 32 H THR 5 H THR 5 -22.413 -18.461 9.713 33 HA THR 5 HA THR 5 -19.811 -19.588 9.447 34 HB THR 5 HB THR 5 -20.617 -20.367 7.253 35 HG1 THR 5 HG1 THR 5 -22.998 -18.941 7.676 36 HG21 THR 5 3HG2 THR 5 -22.653 -21.551 7.995 37 HG22 THR 5 1HG2 THR 5 -22.828 -20.431 9.344 38 HG23 THR 5 2HG2 THR 5 -21.453 -21.534 9.287 39 H GLY 6 H GLY 6 -18.074 -18.931 8.290 40 HA2 GLY 6 1HA GLY 6 -17.999 -17.096 6.164 41 HA3 GLY 6 2HA GLY 6 -17.697 -16.189 7.644 42 H THR 7 H THR 7 -15.798 -16.573 8.813 43 HA THR 7 HA THR 7 -13.541 -16.916 9.029 44 HB THR 7 HB THR 7 -14.168 -19.599 7.716 45 HG1 THR 7 HG1 THR 7 -15.104 -20.089 9.512 46 HG21 THR 7 3HG2 THR 7 -12.246 -20.393 9.077 47 HG22 THR 7 1HG2 THR 7 -11.960 -18.746 9.634 48 HG23 THR 7 2HG2 THR 7 -11.736 -19.156 7.932 49 H ASP 8 H ASP 8 -13.227 -15.209 7.451 50 HA ASP 8 HA ASP 8 -11.432 -15.983 5.340 51 HB2 ASP 8 1HB ASP 8 -12.768 -15.067 3.456 52 HB3 ASP 8 2HB ASP 8 -13.554 -16.465 4.186 53 H ALA 9 H ALA 9 -10.709 -14.063 4.078 54 HA ALA 9 HA ALA 9 -9.943 -11.956 5.835 55 HB1 ALA 9 3HB ALA 9 -8.921 -10.960 3.814 56 HB2 ALA 9 1HB ALA 9 -9.811 -12.098 2.799 57 HB3 ALA 9 2HB ALA 9 -8.574 -12.689 3.907 58 H ASN 10 H ASN 10 -12.013 -11.191 6.624 59 HA ASN 10 HA ASN 10 -14.032 -10.048 4.971 60 HB2 ASN 10 1HB ASN 10 -14.828 -8.991 7.083 61 HB3 ASN 10 2HB ASN 10 -14.479 -10.705 7.292 62 HD21 ASN 10 2HD2 ASN 10 -13.640 -7.514 8.384 63 HD22 ASN 10 1HD2 ASN 10 -12.406 -7.987 9.449 64 H THR 11 H THR 11 -10.939 -8.915 5.998 65 HA THR 11 HA THR 11 -11.349 -6.109 5.836 66 HB THR 11 HB THR 11 -8.846 -6.039 5.554 67 HG1 THR 11 HG1 THR 11 -8.116 -8.445 5.944 68 HG21 THR 11 3HG2 THR 11 -9.798 -6.192 7.821 69 HG22 THR 11 1HG2 THR 11 -8.313 -7.140 7.721 70 HG23 THR 11 2HG2 THR 11 -9.880 -7.950 7.691 71 H LEU 12 H LEU 12 -11.044 -4.677 4.148 72 HA LEU 12 HA LEU 12 -11.804 -5.513 1.546 73 HB2 LEU 12 1HB LEU 12 -12.060 -3.169 2.689 74 HB3 LEU 12 2HB LEU 12 -10.425 -2.864 2.139 75 HG LEU 12 HG LEU 12 -11.404 -3.634 -0.260 76 HD11 LEU 12 1HD1 LEU 12 -13.645 -4.303 0.601 77 HD12 LEU 12 2HD1 LEU 12 -13.779 -3.014 -0.580 78 HD13 LEU 12 3HD1 LEU 12 -13.930 -2.654 1.141 79 HD21 LEU 12 3HD2 LEU 12 -10.539 -1.368 0.188 80 HD22 LEU 12 1HD2 LEU 12 -12.065 -0.920 0.953 81 HD23 LEU 12 2HD2 LEU 12 -12.009 -1.274 -0.777 82 H PHE 13 H PHE 13 -8.737 -5.367 3.087 83 HA PHE 13 HA PHE 13 -7.193 -5.454 0.553 84 HB2 PHE 13 1HB PHE 13 -6.292 -5.353 3.464 85 HB3 PHE 13 2HB PHE 13 -5.240 -5.227 2.051 86 HD1 PHE 13 HD2 PHE 13 -5.335 -3.217 0.558 87 HD2 PHE 13 HD1 PHE 13 -7.789 -3.469 4.098 88 HE1 PHE 13 HE2 PHE 13 -5.835 -0.795 0.396 89 HE2 PHE 13 HE1 PHE 13 -8.285 -1.049 3.914 90 HZ PHE 13 HZ PHE 13 -7.305 0.289 2.072 91 H VAL 14 H VAL 14 -6.460 -7.294 -0.257 92 HA VAL 14 HA VAL 14 -6.483 -9.820 1.359 93 HB VAL 14 HB VAL 14 -6.900 -9.493 -1.645 94 HG11 VAL 14 1HG1 VAL 14 -7.174 -11.913 0.195 95 HG12 VAL 14 2HG1 VAL 14 -5.928 -11.690 -1.031 96 HG13 VAL 14 3HG1 VAL 14 -7.605 -11.890 -1.514 97 HG21 VAL 14 3HG2 VAL 14 -8.916 -10.049 0.579 98 HG22 VAL 14 1HG2 VAL 14 -9.275 -10.073 -1.149 99 HG23 VAL 14 2HG2 VAL 14 -8.814 -8.564 -0.370 100 H ASP 15 H ASP 15 -4.744 -11.168 1.211 101 HA ASP 15 HA ASP 15 -2.185 -10.088 0.779 102 HB2 ASP 15 1HB ASP 15 -2.654 -12.019 2.260 103 HB3 ASP 15 2HB ASP 15 -3.023 -13.010 0.857 104 H GLY 16 H GLY 16 -0.798 -10.106 -0.918 105 HA2 GLY 16 1HA GLY 16 0.138 -10.689 -2.983 106 HA3 GLY 16 2HA GLY 16 -1.244 -11.720 -3.335 107 H GLU 17 H GLU 17 -2.458 -8.866 -2.224 108 HA GLU 17 HA GLU 17 -3.246 -7.964 -4.891 109 HB2 GLU 17 1HB GLU 17 -4.842 -8.061 -2.963 110 HB3 GLU 17 2HB GLU 17 -3.925 -6.790 -2.158 111 HG2 GLU 17 1HG GLU 17 -4.404 -5.238 -4.031 112 HG3 GLU 17 2HG GLU 17 -5.267 -6.515 -4.884 113 H ARG 18 H ARG 18 -2.438 -6.256 -5.951 114 HA ARG 18 HA ARG 18 -0.072 -4.875 -4.961 115 HB2 ARG 18 1HB ARG 18 -0.330 -5.581 -7.338 116 HB3 ARG 18 2HB ARG 18 -1.663 -4.445 -7.525 117 HG2 ARG 18 1HG ARG 18 -0.156 -2.545 -7.042 118 HG3 ARG 18 2HG ARG 18 1.180 -3.657 -6.732 119 HD2 ARG 18 1HD ARG 18 -0.269 -3.399 -9.400 120 HD3 ARG 18 2HD ARG 18 1.286 -2.657 -9.021 121 HE ARG 18 HE ARG 18 1.503 -5.401 -8.459 122 HH11 ARG 18 1HH2 ARG 18 1.041 -3.297 -11.188 123 HH12 ARG 18 2HH2 ARG 18 1.805 -4.369 -12.310 124 HH21 ARG 18 1HH1 ARG 18 2.501 -6.791 -9.936 125 HH22 ARG 18 2HH1 ARG 18 2.630 -6.344 -11.602 126 H VAL 19 H VAL 19 -0.096 -2.967 -3.892 127 HA VAL 19 HA VAL 19 -2.416 -1.101 -4.128 128 HB VAL 19 HB VAL 19 -2.365 -0.706 -1.695 129 HG11 VAL 19 1HG1 VAL 19 -2.658 -3.657 -2.391 130 HG12 VAL 19 2HG1 VAL 19 -3.909 -2.428 -2.584 131 HG13 VAL 19 3HG1 VAL 19 -3.342 -2.865 -0.972 132 HG21 VAL 19 3HG2 VAL 19 -1.053 -2.292 -0.219 133 HG22 VAL 19 1HG2 VAL 19 -0.019 -1.234 -1.171 134 HG23 VAL 19 2HG2 VAL 19 -0.254 -2.903 -1.659 135 H LEU 20 H LEU 20 -1.871 1.019 -3.066 136 HA LEU 20 HA LEU 20 0.906 1.849 -3.818 137 HB2 LEU 20 1HB LEU 20 -1.643 3.498 -3.788 138 HB3 LEU 20 2HB LEU 20 -0.060 4.022 -4.366 139 HG LEU 20 HG LEU 20 -1.737 1.776 -5.581 140 HD11 LEU 20 1HD1 LEU 20 -2.703 3.979 -5.998 141 HD12 LEU 20 2HD1 LEU 20 -2.028 3.332 -7.487 142 HD13 LEU 20 3HD1 LEU 20 -1.156 4.581 -6.595 143 HD21 LEU 20 3HD2 LEU 20 0.019 2.056 -7.508 144 HD22 LEU 20 1HD2 LEU 20 0.523 1.181 -6.072 145 HD23 LEU 20 2HD2 LEU 20 1.022 2.857 -6.302 146 H CYS 21 H CYS 21 2.108 2.969 -2.415 147 HA CYS 21 HA CYS 21 1.004 3.564 0.318 148 HB2 CYS 21 1HB CYS 21 2.591 1.663 0.270 149 HB3 CYS 21 2HB CYS 21 3.822 2.708 -0.436 150 HG CYS 21 HG CYS 21 4.187 3.795 1.790 151 H PHE 22 H PHE 22 0.754 5.704 0.453 152 HA PHE 22 HA PHE 22 2.709 7.545 -0.815 153 HB2 PHE 22 1HB PHE 22 1.042 9.275 -0.506 154 HB3 PHE 22 2HB PHE 22 0.297 7.889 -1.296 155 HD1 PHE 22 HD2 PHE 22 -1.337 6.444 -0.065 156 HD2 PHE 22 HD1 PHE 22 0.482 9.860 1.843 157 HE1 PHE 22 HE2 PHE 22 -3.012 6.331 1.759 158 HE2 PHE 22 HE1 PHE 22 -1.200 9.732 3.656 159 HZ PHE 22 HZ PHE 22 -2.944 7.972 3.616 160 H HIS 23 H HIS 23 2.941 9.637 0.570 161 HA HIS 23 HA HIS 23 3.254 9.106 3.455 162 HB2 HIS 23 1HB HIS 23 5.594 9.894 1.669 163 HB3 HIS 23 2HB HIS 23 5.637 9.750 3.428 164 HD1 HIS 23 HD1 HIS 23 4.449 7.164 4.095 165 HD2 HIS 23 HD2 HIS 23 6.698 7.598 0.614 166 HE1 HIS 23 HE1 HIS 23 5.200 4.838 3.433 167 HE2 HIS 23 HE2 HIS 23 6.581 5.086 1.318 168 H GLY 24 H GLY 24 3.337 11.313 0.724 169 HA2 GLY 24 1HA GLY 24 1.869 13.375 1.643 170 HA3 GLY 24 2HA GLY 24 3.431 13.719 2.389 171 HA PRO 25 HA PRO 25 4.989 15.578 -1.259 172 HB2 PRO 25 1HB PRO 25 7.380 14.303 -1.895 173 HB3 PRO 25 2HB PRO 25 7.192 15.380 -0.493 174 HG2 PRO 25 1HG PRO 25 6.949 12.365 -0.574 175 HG3 PRO 25 2HG PRO 25 7.942 13.366 0.520 176 HD2 PRO 25 1HD PRO 25 5.582 12.482 1.389 177 HD3 PRO 25 2HD PRO 25 6.015 14.177 1.706 178 H LEU 26 H LEU 26 5.372 12.035 -1.797 179 HA LEU 26 HA LEU 26 3.772 12.219 -4.284 180 HB2 LEU 26 1HB LEU 26 6.570 12.363 -4.504 181 HB3 LEU 26 2HB LEU 26 6.299 10.642 -4.669 182 HG LEU 26 HG LEU 26 4.466 11.313 -6.471 183 HD11 LEU 26 1HD1 LEU 26 6.169 13.836 -6.440 184 HD12 LEU 26 2HD1 LEU 26 4.501 13.760 -5.920 185 HD13 LEU 26 3HD1 LEU 26 4.899 13.471 -7.606 186 HD21 LEU 26 3HD2 LEU 26 6.177 11.413 -8.276 187 HD22 LEU 26 1HD2 LEU 26 6.595 10.192 -7.072 188 HD23 LEU 26 2HD2 LEU 26 7.423 11.749 -7.070 189 H ILE 27 H ILE 27 3.352 10.103 -5.236 190 HA ILE 27 HA ILE 27 2.720 8.134 -3.149 191 HB ILE 27 HB ILE 27 1.854 8.286 -6.065 192 HG12 ILE 27 1HG1 ILE 27 0.256 8.978 -3.540 193 HG13 ILE 27 2HG1 ILE 27 1.042 10.188 -4.547 194 HG21 ILE 27 1HG2 ILE 27 0.109 6.613 -5.340 195 HG22 ILE 27 2HG2 ILE 27 0.881 6.530 -3.761 196 HG23 ILE 27 3HG2 ILE 27 1.736 5.966 -5.191 197 HD11 ILE 27 3HD1 ILE 27 -0.301 9.495 -6.481 198 HD12 ILE 27 1HD1 ILE 27 -1.332 9.979 -5.136 199 HD13 ILE 27 2HD1 ILE 27 -1.105 8.270 -5.500 200 H TYR 28 H TYR 28 3.450 6.039 -3.179 201 HA TYR 28 HA TYR 28 5.552 5.268 -5.172 202 HB2 TYR 28 1HB TYR 28 5.594 4.785 -2.165 203 HB3 TYR 28 2HB TYR 28 6.808 4.230 -3.317 204 HD1 TYR 28 HD2 TYR 28 8.331 5.853 -4.455 205 HD2 TYR 28 HD1 TYR 28 5.437 7.193 -1.545 206 HE1 TYR 28 HE2 TYR 28 9.477 8.049 -4.309 207 HE2 TYR 28 HE1 TYR 28 6.602 9.380 -1.413 208 HH TYR 28 HH TYR 28 8.623 10.525 -3.617 209 H GLU 29 H GLU 29 5.804 3.038 -5.513 210 HA GLU 29 HA GLU 29 3.289 1.557 -5.403 211 HB2 GLU 29 1HB GLU 29 4.942 1.758 -7.416 212 HB3 GLU 29 2HB GLU 29 5.924 0.555 -6.587 213 HG2 GLU 29 1HG GLU 29 3.004 0.190 -7.408 214 HG3 GLU 29 2HG GLU 29 4.387 -0.484 -8.256 215 H ALA 30 H ALA 30 2.861 -0.168 -4.161 216 HA ALA 30 HA ALA 30 4.952 -1.612 -2.670 217 HB1 ALA 30 3HB ALA 30 2.619 -0.224 -1.297 218 HB2 ALA 30 1HB ALA 30 4.307 0.271 -1.187 219 HB3 ALA 30 2HB ALA 30 3.801 -1.281 -0.514 220 H LYS 31 H LYS 31 3.817 -3.422 -1.360 221 HA LYS 31 HA LYS 31 1.342 -4.416 -2.657 222 HB2 LYS 31 1HB LYS 31 3.286 -5.272 -3.966 223 HB3 LYS 31 2HB LYS 31 3.900 -6.051 -2.511 224 HG2 LYS 31 1HG LYS 31 1.927 -7.505 -2.375 225 HG3 LYS 31 2HG LYS 31 1.124 -6.624 -3.672 226 HD2 LYS 31 1HD LYS 31 2.042 -8.722 -4.546 227 HD3 LYS 31 2HD LYS 31 2.886 -7.354 -5.266 228 HE2 LYS 31 1HE LYS 31 4.063 -8.664 -2.790 229 HE3 LYS 31 2HE LYS 31 4.307 -9.395 -4.373 230 HZ1 LYS 31 3HZ LYS 31 5.940 -7.965 -4.674 231 HZ2 LYS 31 1HZ LYS 31 5.546 -7.084 -3.278 232 HZ3 LYS 31 2HZ LYS 31 4.788 -6.720 -4.755 233 H VAL 32 H VAL 32 0.283 -6.062 -1.509 234 HA VAL 32 HA VAL 32 0.740 -5.982 1.412 235 HB VAL 32 HB VAL 32 -1.588 -7.193 -0.158 236 HG11 VAL 32 1HG1 VAL 32 -2.775 -7.044 2.035 237 HG12 VAL 32 2HG1 VAL 32 -1.291 -6.455 2.789 238 HG13 VAL 32 3HG1 VAL 32 -1.365 -8.091 2.145 239 HG21 VAL 32 3HG2 VAL 32 -1.408 -4.753 -0.557 240 HG22 VAL 32 1HG2 VAL 32 -1.351 -4.456 1.179 241 HG23 VAL 32 2HG2 VAL 32 -2.811 -5.114 0.435 242 H LEU 33 H LEU 33 2.263 -7.435 1.972 243 HA LEU 33 HA LEU 33 2.521 -10.007 0.665 244 HB2 LEU 33 1HB LEU 33 4.357 -8.486 1.908 245 HB3 LEU 33 2HB LEU 33 3.874 -9.408 3.301 246 HG LEU 33 HG LEU 33 5.831 -10.445 2.279 247 HD11 LEU 33 1HD1 LEU 33 5.143 -12.687 2.192 248 HD12 LEU 33 2HD1 LEU 33 3.554 -12.306 1.554 249 HD13 LEU 33 3HD1 LEU 33 3.950 -11.924 3.230 250 HD21 LEU 33 3HD2 LEU 33 6.086 -11.016 0.052 251 HD22 LEU 33 1HD2 LEU 33 5.143 -9.550 -0.127 252 HD23 LEU 33 2HD2 LEU 33 4.371 -11.125 -0.279 253 H LYS 34 H LYS 34 1.327 -8.864 3.783 254 HA LYS 34 HA LYS 34 -0.338 -11.270 4.035 255 HB2 LYS 34 1HB LYS 34 1.906 -11.846 4.960 256 HB3 LYS 34 2HB LYS 34 1.717 -10.594 6.160 257 HG2 LYS 34 1HG LYS 34 -0.376 -11.733 6.972 258 HG3 LYS 34 2HG LYS 34 -0.067 -13.042 5.835 259 HD2 LYS 34 1HD LYS 34 1.762 -12.184 8.123 260 HD3 LYS 34 2HD LYS 34 0.720 -13.607 8.121 261 HE2 LYS 34 1HE LYS 34 3.215 -13.125 6.421 262 HE3 LYS 34 2HE LYS 34 2.922 -14.421 7.572 263 HZ1 LYS 34 3HZ LYS 34 2.576 -15.356 5.482 264 HZ2 LYS 34 1HZ LYS 34 1.676 -14.029 4.922 265 HZ3 LYS 34 2HZ LYS 34 1.015 -15.072 6.090 266 H THR 35 H THR 35 -1.981 -11.056 5.532 267 HA THR 35 HA THR 35 -2.438 -8.357 6.726 268 HB THR 35 HB THR 35 -3.657 -8.339 4.617 269 HG1 THR 35 HG1 THR 35 -5.680 -9.081 6.380 270 HG21 THR 35 3HG2 THR 35 -3.734 -10.777 4.185 271 HG22 THR 35 1HG2 THR 35 -5.340 -10.061 4.070 272 HG23 THR 35 2HG2 THR 35 -4.886 -10.977 5.504 273 H LYS 36 H LYS 36 -3.586 -8.323 8.587 274 HA LYS 36 HA LYS 36 -4.211 -10.973 9.841 275 HB2 LYS 36 1HB LYS 36 -2.422 -9.698 10.942 276 HB3 LYS 36 2HB LYS 36 -3.531 -8.367 11.191 277 HG2 LYS 36 1HG LYS 36 -4.913 -9.657 12.727 278 HG3 LYS 36 2HG LYS 36 -4.150 -11.170 12.254 279 HD2 LYS 36 1HD LYS 36 -3.319 -10.474 14.455 280 HD3 LYS 36 2HD LYS 36 -2.011 -10.422 13.274 281 HE2 LYS 36 1HE LYS 36 -2.116 -8.006 13.153 282 HE3 LYS 36 2HE LYS 36 -3.652 -7.965 14.024 283 HZ1 LYS 36 3HZ LYS 36 -2.094 -7.451 15.626 284 HZ2 LYS 36 1HZ LYS 36 -0.966 -8.585 15.060 285 HZ3 LYS 36 2HZ LYS 36 -2.358 -9.112 15.878 286 HA PRO 37 HA PRO 37 -8.319 -8.824 9.557 287 HB2 PRO 37 1HB PRO 37 -9.834 -10.735 8.485 288 HB3 PRO 37 2HB PRO 37 -8.531 -10.028 7.494 289 HG2 PRO 37 1HG PRO 37 -8.452 -12.584 9.112 290 HG3 PRO 37 2HG PRO 37 -8.049 -12.361 7.389 291 HD2 PRO 37 1HD PRO 37 -6.115 -12.305 9.369 292 HD3 PRO 37 2HD PRO 37 -5.964 -11.360 7.878 293 H ASP 38 H ASP 38 -6.999 -10.878 11.660 294 HA ASP 38 HA ASP 38 -9.232 -12.135 12.952 295 HB2 ASP 38 1HB ASP 38 -6.429 -11.485 13.926 296 HB3 ASP 38 2HB ASP 38 -7.562 -12.544 14.769 297 H ALA 39 H ALA 39 -8.892 -8.990 12.554 298 HA ALA 39 HA ALA 39 -10.432 -8.294 14.921 299 HB1 ALA 39 3HB ALA 39 -8.143 -8.225 15.852 300 HB2 ALA 39 1HB ALA 39 -8.861 -6.614 15.808 301 HB3 ALA 39 2HB ALA 39 -7.665 -7.087 14.603 302 H THR 40 H THR 40 -11.183 -6.095 14.904 303 HA THR 40 HA THR 40 -10.986 -4.632 12.335 304 HB THR 40 HB THR 40 -13.432 -4.447 12.174 305 HG1 THR 40 HG1 THR 40 -14.373 -6.267 13.660 306 HG21 THR 40 3HG2 THR 40 -12.638 -7.375 12.439 307 HG22 THR 40 1HG2 THR 40 -12.187 -6.378 11.053 308 HG23 THR 40 2HG2 THR 40 -13.886 -6.706 11.395 309 HA PRO 41 HA PRO 41 -10.228 -2.562 11.875 310 HB2 PRO 41 1HB PRO 41 -8.449 -0.665 12.684 311 HB3 PRO 41 2HB PRO 41 -10.152 -0.256 12.350 312 HG2 PRO 41 1HG PRO 41 -8.882 -0.910 15.021 313 HG3 PRO 41 2HG PRO 41 -9.848 0.524 14.578 314 HD2 PRO 41 1HD PRO 41 -11.053 -1.550 15.811 315 HD3 PRO 41 2HD PRO 41 -11.884 -0.728 14.468 316 H VAL 42 H VAL 42 -7.619 -2.437 11.676 317 HA VAL 42 HA VAL 42 -6.129 -3.930 13.639 318 HB VAL 42 HB VAL 42 -7.637 -5.688 12.596 319 HG11 VAL 42 1HG1 VAL 42 -7.317 -6.439 10.320 320 HG12 VAL 42 2HG1 VAL 42 -5.915 -5.396 10.109 321 HG13 VAL 42 3HG1 VAL 42 -7.525 -4.692 10.256 322 HG21 VAL 42 3HG2 VAL 42 -6.023 -7.400 12.788 323 HG22 VAL 42 1HG2 VAL 42 -5.166 -6.096 13.582 324 HG23 VAL 42 2HG2 VAL 42 -4.804 -6.500 11.916 325 H GLU 43 H GLU 43 -4.057 -4.941 12.275 326 HA GLU 43 HA GLU 43 -2.915 -2.684 10.723 327 HB2 GLU 43 1HB GLU 43 -0.702 -3.567 11.544 328 HB3 GLU 43 2HB GLU 43 -1.733 -2.964 12.838 329 HG2 GLU 43 1HG GLU 43 -2.465 -5.295 13.337 330 HG3 GLU 43 2HG GLU 43 -1.403 -5.890 12.065 331 H TYR 44 H TYR 44 -1.364 -3.278 9.133 332 HA TYR 44 HA TYR 44 -1.710 -5.967 7.878 333 HB2 TYR 44 1HB TYR 44 -1.907 -3.254 6.503 334 HB3 TYR 44 2HB TYR 44 -1.957 -4.815 5.695 335 HD1 TYR 44 HD2 TYR 44 -3.733 -2.663 8.216 336 HD2 TYR 44 HD1 TYR 44 -4.043 -6.116 5.650 337 HE1 TYR 44 HE2 TYR 44 -6.155 -2.835 8.720 338 HE2 TYR 44 HE1 TYR 44 -6.462 -6.262 6.156 339 HH TYR 44 HH TYR 44 -8.091 -3.812 8.139 340 H TYR 45 H TYR 45 0.027 -6.713 6.729 341 HA TYR 45 HA TYR 45 2.598 -5.352 7.305 342 HB2 TYR 45 1HB TYR 45 2.660 -7.691 7.938 343 HB3 TYR 45 2HB TYR 45 2.017 -8.172 6.376 344 HD1 TYR 45 HD1 TYR 45 4.736 -5.536 6.688 345 HD2 TYR 45 HD2 TYR 45 3.909 -9.685 5.811 346 HE1 TYR 45 HE1 TYR 45 6.976 -5.798 5.735 347 HE2 TYR 45 HE2 TYR 45 6.182 -9.920 4.895 348 HH TYR 45 HH TYR 45 8.615 -7.935 5.474 349 H ILE 46 H ILE 46 3.185 -3.939 5.815 350 HA ILE 46 HA ILE 46 2.854 -4.505 2.911 351 HB ILE 46 HB ILE 46 3.298 -1.839 4.335 352 HG12 ILE 46 1HG1 ILE 46 1.129 -2.724 5.045 353 HG13 ILE 46 2HG1 ILE 46 0.864 -1.430 3.900 354 HG21 ILE 46 1HG2 ILE 46 2.451 -2.491 1.482 355 HG22 ILE 46 2HG2 ILE 46 4.012 -1.839 1.969 356 HG23 ILE 46 3HG2 ILE 46 2.558 -0.871 2.167 357 HD11 ILE 46 3HD1 ILE 46 0.461 -4.389 3.542 358 HD12 ILE 46 1HD1 ILE 46 0.691 -3.369 2.122 359 HD13 ILE 46 2HD1 ILE 46 -0.655 -3.072 3.211 360 H HIS 47 H HIS 47 4.575 -4.212 1.577 361 HA HIS 47 HA HIS 47 7.243 -3.516 2.654 362 HB2 HIS 47 1HB HIS 47 8.302 -5.541 1.928 363 HB3 HIS 47 2HB HIS 47 6.851 -6.077 2.772 364 HD1 HIS 47 HD1 HIS 47 8.649 -6.646 -0.255 365 HD2 HIS 47 HD2 HIS 47 4.611 -6.389 0.691 366 HE1 HIS 47 HE1 HIS 47 7.395 -7.687 -2.194 367 HE2 HIS 47 HE2 HIS 47 4.926 -7.523 -1.629 368 H TYR 48 H TYR 48 8.604 -2.634 1.133 369 HA TYR 48 HA TYR 48 7.370 -1.520 -1.236 370 HB2 TYR 48 1HB TYR 48 10.253 -1.435 -0.268 371 HB3 TYR 48 2HB TYR 48 9.584 -0.450 -1.565 372 HD1 TYR 48 HD1 TYR 48 7.632 1.140 -1.070 373 HD2 TYR 48 HD2 TYR 48 9.915 -0.746 2.069 374 HE1 TYR 48 HE1 TYR 48 6.777 2.802 0.562 375 HE2 TYR 48 HE2 TYR 48 9.055 0.926 3.682 376 HH TYR 48 HH TYR 48 6.568 3.263 2.772 377 H ALA 49 H ALA 49 7.598 -2.149 -3.325 378 HA ALA 49 HA ALA 49 8.398 -4.823 -3.930 379 HB1 ALA 49 3HB ALA 49 7.818 -2.494 -5.804 380 HB2 ALA 49 1HB ALA 49 6.623 -3.632 -5.179 381 HB3 ALA 49 2HB ALA 49 7.891 -4.196 -6.269 382 H GLY 50 H GLY 50 10.383 -5.585 -4.419 383 HA2 GLY 50 1HA GLY 50 12.483 -5.683 -5.449 384 HA3 GLY 50 2HA GLY 50 12.403 -3.966 -5.814 385 H TRP 51 H TRP 51 11.746 -5.167 -2.598 386 HA TRP 51 HA TRP 51 14.460 -4.409 -1.620 387 HB2 TRP 51 1HB TRP 51 11.829 -3.360 -0.496 388 HB3 TRP 51 2HB TRP 51 13.427 -3.083 0.202 389 HD1 TRP 51 HD1 TRP 51 11.188 -1.976 -2.656 390 HE1 TRP 51 HE1 TRP 51 12.275 0.025 -3.863 391 HE3 TRP 51 HE3 TRP 51 15.760 -1.974 -0.393 392 HZ2 TRP 51 HZ2 TRP 51 14.760 1.441 -3.867 393 HZ3 TRP 51 HZ3 TRP 51 17.474 -0.288 -1.015 394 HH2 TRP 51 HH2 TRP 51 16.979 1.418 -2.748 395 H SER 52 H SER 52 14.836 -5.066 0.590 396 HA SER 52 HA SER 52 14.151 -7.814 0.997 397 HB2 SER 52 1HB SER 52 15.501 -5.836 2.868 398 HB3 SER 52 2HB SER 52 15.469 -7.588 3.075 399 HG SER 52 HG SER 52 16.737 -7.828 1.332 400 H LYS 53 H LYS 53 13.014 -8.731 2.752 401 HA LYS 53 HA LYS 53 10.622 -7.269 3.587 402 HB2 LYS 53 1HB LYS 53 11.467 -10.172 3.935 403 HB3 LYS 53 2HB LYS 53 9.892 -9.516 4.378 404 HG2 LYS 53 1HG LYS 53 9.532 -8.813 2.002 405 HG3 LYS 53 2HG LYS 53 11.086 -9.543 1.574 406 HD2 LYS 53 1HD LYS 53 10.233 -11.762 2.341 407 HD3 LYS 53 2HD LYS 53 8.680 -11.019 2.728 408 HE2 LYS 53 1HE LYS 53 8.439 -10.329 0.333 409 HE3 LYS 53 2HE LYS 53 9.952 -11.157 -0.035 410 HZ1 LYS 53 3HZ LYS 53 7.642 -12.513 1.235 411 HZ2 LYS 53 1HZ LYS 53 9.015 -13.227 0.537 412 HZ3 LYS 53 2HZ LYS 53 7.867 -12.453 -0.447 413 H ASN 54 H ASN 54 13.698 -7.646 4.854 414 HA ASN 54 HA ASN 54 13.118 -8.129 7.619 415 HB2 ASN 54 1HB ASN 54 15.435 -7.359 8.009 416 HB3 ASN 54 2HB ASN 54 15.363 -8.500 6.670 417 HD21 ASN 54 2HD2 ASN 54 16.894 -7.801 5.147 418 HD22 ASN 54 1HD2 ASN 54 17.066 -6.196 4.623 419 H TRP 55 H TRP 55 12.587 -5.451 5.621 420 HA TRP 55 HA TRP 55 12.973 -3.295 7.467 421 HB2 TRP 55 1HB TRP 55 11.248 -3.581 4.972 422 HB3 TRP 55 2HB TRP 55 11.411 -2.064 5.858 423 HD1 TRP 55 HD1 TRP 55 13.846 -4.702 4.361 424 HE1 TRP 55 HE1 TRP 55 15.809 -3.443 3.275 425 HE3 TRP 55 HE3 TRP 55 12.503 0.114 5.422 426 HZ2 TRP 55 HZ2 TRP 55 16.701 -0.755 2.902 427 HZ3 TRP 55 HZ3 TRP 55 13.931 2.006 4.689 428 HH2 TRP 55 HH2 TRP 55 16.027 1.578 3.430 429 H ASP 56 H ASP 56 10.379 -5.553 6.865 430 HA ASP 56 HA ASP 56 8.262 -5.809 7.752 431 HB2 ASP 56 1HB ASP 56 8.309 -6.041 10.209 432 HB3 ASP 56 2HB ASP 56 9.739 -6.758 9.466 433 H GLU 57 H GLU 57 7.491 -3.730 6.658 434 HA GLU 57 HA GLU 57 7.050 -1.457 8.511 435 HB2 GLU 57 1HB GLU 57 7.865 -1.059 6.183 436 HB3 GLU 57 2HB GLU 57 6.357 -1.711 5.558 437 HG2 GLU 57 1HG GLU 57 5.093 0.068 6.737 438 HG3 GLU 57 2HG GLU 57 6.594 0.711 7.396 439 H TRP 58 H TRP 58 5.511 -2.331 9.910 440 HA TRP 58 HA TRP 58 2.906 -3.268 8.862 441 HB2 TRP 58 1HB TRP 58 4.132 -3.130 11.655 442 HB3 TRP 58 2HB TRP 58 2.460 -3.611 11.373 443 HD1 TRP 58 HD1 TRP 58 5.986 -4.679 10.151 444 HE1 TRP 58 HE1 TRP 58 5.992 -7.243 9.875 445 HE3 TRP 58 HE3 TRP 58 1.126 -5.703 11.332 446 HZ2 TRP 58 HZ2 TRP 58 4.171 -9.449 10.124 447 HZ3 TRP 58 HZ3 TRP 58 0.285 -8.036 11.306 448 HH2 TRP 58 HH2 TRP 58 1.800 -9.908 10.707 449 H VAL 59 H VAL 59 1.267 -1.834 8.604 450 HA VAL 59 HA VAL 59 1.082 0.526 10.371 451 HB VAL 59 HB VAL 59 0.714 2.066 8.400 452 HG11 VAL 59 1HG1 VAL 59 3.082 2.351 7.835 453 HG12 VAL 59 2HG1 VAL 59 3.451 0.737 8.413 454 HG13 VAL 59 3HG1 VAL 59 2.929 1.971 9.549 455 HG21 VAL 59 3HG2 VAL 59 1.507 1.290 6.170 456 HG22 VAL 59 1HG2 VAL 59 0.142 0.326 6.721 457 HG23 VAL 59 2HG2 VAL 59 1.775 -0.324 6.826 458 HA PRO 60 HA PRO 60 -3.305 -0.308 10.190 459 HB2 PRO 60 1HB PRO 60 -3.762 2.687 10.173 460 HB3 PRO 60 2HB PRO 60 -4.430 1.462 11.279 461 HG2 PRO 60 1HG PRO 60 -2.500 3.045 12.141 462 HG3 PRO 60 2HG PRO 60 -2.414 1.300 12.495 463 HD2 PRO 60 1HD PRO 60 -0.959 2.820 10.291 464 HD3 PRO 60 2HD PRO 60 -0.307 1.680 11.489 465 H GLU 61 H GLU 61 -5.173 -0.119 8.827 466 HA GLU 61 HA GLU 61 -4.727 -0.139 6.075 467 HB2 GLU 61 1HB GLU 61 -7.246 0.053 5.875 468 HB3 GLU 61 2HB GLU 61 -6.718 -1.183 7.010 469 HG2 GLU 61 1HG GLU 61 -7.078 0.391 8.902 470 HG3 GLU 61 2HG GLU 61 -7.610 1.627 7.769 471 H ASN 62 H ASN 62 -5.169 2.571 8.154 472 HA ASN 62 HA ASN 62 -6.187 4.499 6.355 473 HB2 ASN 62 1HB ASN 62 -4.322 4.897 8.721 474 HB3 ASN 62 2HB ASN 62 -5.311 6.149 7.965 475 HD21 ASN 62 2HD2 ASN 62 -5.305 4.351 10.682 476 HD22 ASN 62 1HD2 ASN 62 -6.969 4.097 10.893 477 H ARG 63 H ARG 63 -2.823 3.544 7.060 478 HA ARG 63 HA ARG 63 -1.709 5.523 5.257 479 HB2 ARG 63 1HB ARG 63 -0.663 4.425 7.439 480 HB3 ARG 63 2HB ARG 63 -0.161 3.146 6.352 481 HG2 ARG 63 1HG ARG 63 1.739 4.571 6.269 482 HG3 ARG 63 2HG ARG 63 0.835 5.165 4.884 483 HD2 ARG 63 1HD ARG 63 -0.153 6.958 6.377 484 HD3 ARG 63 2HD ARG 63 0.891 6.398 7.674 485 HE ARG 63 HE ARG 63 1.635 8.051 5.442 486 HH11 ARG 63 1HH2 ARG 63 2.818 5.573 7.582 487 HH12 ARG 63 2HH2 ARG 63 4.475 6.051 7.425 488 HH21 ARG 63 1HH1 ARG 63 3.791 8.677 5.262 489 HH22 ARG 63 2HH1 ARG 63 5.026 7.811 6.111 490 H VAL 64 H VAL 64 -3.323 2.698 4.685 491 HA VAL 64 HA VAL 64 -1.716 1.935 2.291 492 HB VAL 64 HB VAL 64 -4.063 0.440 3.558 493 HG11 VAL 64 1HG1 VAL 64 -1.890 -0.434 1.598 494 HG12 VAL 64 2HG1 VAL 64 -3.577 -0.150 1.186 495 HG13 VAL 64 3HG1 VAL 64 -3.149 -1.476 2.260 496 HG21 VAL 64 3HG2 VAL 64 -2.272 -1.030 4.550 497 HG22 VAL 64 1HG2 VAL 64 -2.232 0.606 5.205 498 HG23 VAL 64 2HG2 VAL 64 -1.056 0.114 3.987 499 H LEU 65 H LEU 65 -2.423 2.414 0.313 500 HA LEU 65 HA LEU 65 -5.206 3.449 -0.065 501 HB2 LEU 65 1HB LEU 65 -3.420 5.146 -0.399 502 HB3 LEU 65 2HB LEU 65 -2.710 4.141 -1.651 503 HG LEU 65 HG LEU 65 -4.821 4.365 -3.001 504 HD11 LEU 65 1HD1 LEU 65 -6.610 4.730 -1.511 505 HD12 LEU 65 2HD1 LEU 65 -6.402 6.323 -2.205 506 HD13 LEU 65 3HD1 LEU 65 -5.756 5.973 -0.601 507 HD21 LEU 65 3HD2 LEU 65 -3.614 7.015 -2.115 508 HD22 LEU 65 1HD2 LEU 65 -4.497 6.746 -3.619 509 HD23 LEU 65 2HD2 LEU 65 -2.951 5.945 -3.352 510 H LYS 66 H LYS 66 -6.477 2.500 -1.520 511 HA LYS 66 HA LYS 66 -5.763 -0.040 -2.642 512 HB2 LYS 66 1HB LYS 66 -8.039 0.054 -3.655 513 HB3 LYS 66 2HB LYS 66 -8.054 0.426 -1.930 514 HG2 LYS 66 1HG LYS 66 -8.099 2.861 -2.457 515 HG3 LYS 66 2HG LYS 66 -8.121 2.485 -4.179 516 HD2 LYS 66 1HD LYS 66 -10.270 1.275 -3.896 517 HD3 LYS 66 2HD LYS 66 -10.252 1.645 -2.172 518 HE2 LYS 66 1HE LYS 66 -10.329 4.066 -2.681 519 HE3 LYS 66 2HE LYS 66 -10.319 3.709 -4.410 520 HZ1 LYS 66 3HZ LYS 66 -12.501 3.457 -4.331 521 HZ2 LYS 66 1HZ LYS 66 -12.514 3.779 -2.665 522 HZ3 LYS 66 2HZ LYS 66 -12.335 2.182 -3.221 523 H TYR 67 H TYR 67 -5.694 -0.625 -4.860 524 HA TYR 67 HA TYR 67 -4.349 1.366 -6.549 525 HB2 TYR 67 1HB TYR 67 -3.530 -0.995 -6.340 526 HB3 TYR 67 2HB TYR 67 -5.003 -1.565 -7.116 527 HD1 TYR 67 HD2 TYR 67 -1.819 0.290 -7.622 528 HD2 TYR 67 HD1 TYR 67 -5.405 -1.136 -9.546 529 HE1 TYR 67 HE2 TYR 67 -0.815 0.749 -9.843 530 HE2 TYR 67 HE1 TYR 67 -4.389 -0.668 -11.762 531 HH TYR 67 HH TYR 67 -1.160 0.815 -12.038 532 H ASN 68 H ASN 68 -5.435 2.605 -7.921 533 HA ASN 68 HA ASN 68 -7.700 1.575 -9.472 534 HB2 ASN 68 1HB ASN 68 -8.720 2.394 -7.343 535 HB3 ASN 68 2HB ASN 68 -8.038 3.989 -7.641 536 HD21 ASN 68 2HD2 ASN 68 -10.124 5.022 -7.902 537 HD22 ASN 68 1HD2 ASN 68 -11.128 4.702 -9.231 538 H ASP 69 H ASP 69 -7.915 2.584 -11.398 539 HA ASP 69 HA ASP 69 -5.868 3.900 -12.636 540 HB2 ASP 69 1HB ASP 69 -7.847 2.959 -13.790 541 HB3 ASP 69 2HB ASP 69 -8.827 4.297 -13.202 542 H ASP 70 H ASP 70 -8.294 5.351 -10.547 543 HA ASP 70 HA ASP 70 -7.782 8.091 -11.231 544 HB2 ASP 70 1HB ASP 70 -8.981 6.885 -8.705 545 HB3 ASP 70 2HB ASP 70 -9.071 8.583 -9.181 546 H ASN 71 H ASN 71 -6.664 5.976 -8.570 547 HA ASN 71 HA ASN 71 -5.028 7.942 -7.298 548 HB2 ASN 71 1HB ASN 71 -4.702 4.912 -7.267 549 HB3 ASN 71 2HB ASN 71 -3.995 6.054 -6.121 550 HD21 ASN 71 2HD2 ASN 71 -6.230 7.778 -5.714 551 HD22 ASN 71 1HD2 ASN 71 -7.456 6.889 -4.950 552 H VAL 72 H VAL 72 -4.490 5.633 -9.888 553 HA VAL 72 HA VAL 72 -1.662 6.026 -10.179 554 HB VAL 72 HB VAL 72 -3.751 5.165 -12.231 555 HG11 VAL 72 1HG1 VAL 72 -1.685 5.900 -13.377 556 HG12 VAL 72 2HG1 VAL 72 -1.784 4.147 -13.434 557 HG13 VAL 72 3HG1 VAL 72 -0.707 4.927 -12.277 558 HG21 VAL 72 3HG2 VAL 72 -1.882 3.512 -10.472 559 HG22 VAL 72 1HG2 VAL 72 -2.997 2.864 -11.676 560 HG23 VAL 72 2HG2 VAL 72 -3.622 3.670 -10.240 561 H LYS 73 H LYS 73 -4.526 7.479 -11.685 562 HA LYS 73 HA LYS 73 -3.255 9.287 -13.425 563 HB2 LYS 73 1HB LYS 73 -5.683 8.713 -13.459 564 HB3 LYS 73 2HB LYS 73 -5.910 9.630 -11.980 565 HG2 LYS 73 1HG LYS 73 -5.163 11.705 -13.132 566 HG3 LYS 73 2HG LYS 73 -4.917 10.779 -14.615 567 HD2 LYS 73 1HD LYS 73 -7.339 10.187 -14.641 568 HD3 LYS 73 2HD LYS 73 -7.578 11.122 -13.161 569 HE2 LYS 73 1HE LYS 73 -6.630 12.237 -15.831 570 HE3 LYS 73 2HE LYS 73 -8.239 12.448 -15.135 571 HZ1 LYS 73 3HZ LYS 73 -5.761 13.775 -14.485 572 HZ2 LYS 73 1HZ LYS 73 -6.641 13.255 -13.130 573 HZ3 LYS 73 2HZ LYS 73 -7.364 14.290 -14.266 574 H ARG 74 H ARG 74 -4.142 9.583 -9.999 575 HA ARG 74 HA ARG 74 -3.423 12.321 -9.670 576 HB2 ARG 74 1HB ARG 74 -3.631 10.021 -7.690 577 HB3 ARG 74 2HB ARG 74 -3.197 11.654 -7.180 578 HG2 ARG 74 1HG ARG 74 -5.321 12.529 -8.104 579 HG3 ARG 74 2HG ARG 74 -5.767 10.919 -8.647 580 HD2 ARG 74 1HD ARG 74 -5.769 10.123 -6.307 581 HD3 ARG 74 2HD ARG 74 -5.294 11.729 -5.751 582 HE ARG 74 HE ARG 74 -7.943 10.883 -6.515 583 HH11 ARG 74 1HH2 ARG 74 -5.778 13.603 -6.399 584 HH12 ARG 74 2HH2 ARG 74 -7.047 14.780 -6.426 585 HH21 ARG 74 1HH1 ARG 74 -9.591 12.434 -6.553 586 HH22 ARG 74 2HH1 ARG 74 -9.199 14.119 -6.513 587 H ARG 75 H ARG 75 -1.560 9.310 -9.430 588 HA ARG 75 HA ARG 75 0.859 10.485 -8.454 589 HB2 ARG 75 1HB ARG 75 0.395 8.038 -8.384 590 HB3 ARG 75 2HB ARG 75 0.525 7.967 -10.137 591 HG2 ARG 75 1HG ARG 75 2.886 8.702 -10.022 592 HG3 ARG 75 2HG ARG 75 2.765 8.881 -8.277 593 HD2 ARG 75 1HD ARG 75 2.305 6.447 -8.066 594 HD3 ARG 75 2HD ARG 75 2.455 6.275 -9.815 595 HE ARG 75 HE ARG 75 4.807 7.499 -8.881 596 HH11 ARG 75 1HH2 ARG 75 3.125 4.467 -8.590 597 HH12 ARG 75 2HH2 ARG 75 4.566 3.547 -8.328 598 HH21 ARG 75 1HH1 ARG 75 6.677 6.283 -8.532 599 HH22 ARG 75 2HH1 ARG 75 6.571 4.573 -8.294 600 H GLN 76 H GLN 76 -0.427 9.859 -11.685 601 HA GLN 76 HA GLN 76 1.838 10.797 -13.174 602 HB2 GLN 76 1HB GLN 76 -1.109 10.581 -13.900 603 HB3 GLN 76 2HB GLN 76 0.148 10.994 -15.064 604 HG2 GLN 76 1HG GLN 76 0.115 8.402 -13.447 605 HG3 GLN 76 2HG GLN 76 -0.495 8.541 -15.091 606 HE21 GLN 76 2HE2 GLN 76 1.071 8.803 -16.829 607 HE22 GLN 76 1HE2 GLN 76 2.729 8.546 -16.573 608 H GLU 77 H GLU 77 -1.067 12.307 -11.856 609 HA GLU 77 HA GLU 77 -0.721 14.900 -13.027 610 HB2 GLU 77 1HB GLU 77 -2.852 14.055 -11.964 611 HB3 GLU 77 2HB GLU 77 -2.085 14.212 -10.387 612 HG2 GLU 77 1HG GLU 77 -1.768 16.649 -10.783 613 HG3 GLU 77 2HG GLU 77 -2.543 16.487 -12.356 614 H LEU 78 H LEU 78 0.015 13.644 -9.783 615 HA LEU 78 HA LEU 78 1.387 15.875 -8.759 616 HB2 LEU 78 1HB LEU 78 1.630 12.909 -8.191 617 HB3 LEU 78 2HB LEU 78 2.454 14.108 -7.214 618 HG LEU 78 HG LEU 78 -0.574 14.303 -7.605 619 HD11 LEU 78 1HD1 LEU 78 0.840 12.646 -5.476 620 HD12 LEU 78 2HD1 LEU 78 -0.167 12.013 -6.776 621 HD13 LEU 78 3HD1 LEU 78 -0.891 12.997 -5.510 622 HD21 LEU 78 3HD2 LEU 78 1.284 15.146 -5.325 623 HD22 LEU 78 1HD2 LEU 78 -0.454 15.441 -5.386 624 HD23 LEU 78 2HD2 LEU 78 0.611 16.229 -6.536 625 H ALA 79 H ALA 79 2.515 13.123 -10.660 626 HA ALA 79 HA ALA 79 5.307 13.726 -10.517 627 HB1 ALA 79 3HB ALA 79 5.539 12.150 -12.390 628 HB2 ALA 79 1HB ALA 79 3.794 12.176 -12.640 629 HB3 ALA 79 2HB ALA 79 4.458 11.499 -11.152 630 H ARG 80 H ARG 80 2.694 14.747 -12.615 631 HA ARG 80 HA ARG 80 4.232 15.995 -14.634 632 HB2 ARG 80 1HB ARG 80 1.675 15.444 -14.542 633 HB3 ARG 80 2HB ARG 80 1.497 16.967 -13.716 634 HG2 ARG 80 1HG ARG 80 1.259 17.854 -15.850 635 HG3 ARG 80 2HG ARG 80 3.013 17.796 -15.887 636 HD2 ARG 80 1HD ARG 80 1.184 15.587 -16.894 637 HD3 ARG 80 2HD ARG 80 1.990 16.774 -17.918 638 HE ARG 80 HE ARG 80 3.982 15.534 -16.402 639 HH11 ARG 80 1HH2 ARG 80 1.657 14.718 -18.847 640 HH12 ARG 80 2HH2 ARG 80 2.563 13.370 -19.443 641 HH21 ARG 80 1HH1 ARG 80 5.156 13.766 -17.179 642 HH22 ARG 80 2HH1 ARG 80 4.540 12.829 -18.496 643 H GLN 81 H GLN 81 2.852 17.188 -11.598 644 HA GLN 81 HA GLN 81 3.641 19.893 -11.802 645 HB2 GLN 81 1HB GLN 81 3.165 18.112 -9.376 646 HB3 GLN 81 2HB GLN 81 3.342 19.870 -9.290 647 HG2 GLN 81 1HG GLN 81 1.375 20.145 -10.775 648 HG3 GLN 81 2HG GLN 81 1.199 18.395 -10.877 649 HE21 GLN 81 2HE2 GLN 81 -0.074 21.020 -9.294 650 HE22 GLN 81 1HE2 GLN 81 -0.597 20.261 -7.868 651 H CYS 82 H CYS 82 5.299 17.030 -10.521 652 HA CYS 82 HA CYS 82 7.544 18.333 -9.398 653 HB2 CYS 82 1HB CYS 82 7.253 15.535 -10.530 654 HB3 CYS 82 2HB CYS 82 8.597 16.085 -9.524 655 HG CYS 82 HG CYS 82 7.166 15.930 -7.511 656 H GLY 83 H GLY 83 6.837 17.204 -12.667 657 HA2 GLY 83 1HA GLY 83 9.430 17.487 -13.773 658 HA3 GLY 83 2HA GLY 83 7.914 17.487 -14.669 659 H GLU 84 H GLU 84 10.014 19.114 -15.411 660 HA GLU 84 HA GLU 84 10.025 21.730 -14.366 661 HB2 GLU 84 1HB GLU 84 10.567 20.767 -17.200 662 HB3 GLU 84 2HB GLU 84 11.021 22.352 -16.567 663 HG2 GLU 84 1HG GLU 84 12.440 21.259 -14.845 664 HG3 GLU 84 2HG GLU 84 11.988 19.675 -15.471 665 H ARG 85 H ARG 85 8.731 23.445 -14.634 666 HA ARG 85 HA ARG 85 6.852 24.696 -15.109 667 HB2 ARG 85 1HB ARG 85 7.259 23.448 -17.854 668 HB3 ARG 85 2HB ARG 85 6.274 24.874 -17.517 669 HG2 ARG 85 1HG ARG 85 8.283 26.064 -16.664 670 HG3 ARG 85 2HG ARG 85 9.271 24.641 -17.000 671 HD2 ARG 85 1HD ARG 85 8.702 24.820 -19.411 672 HD3 ARG 85 2HD ARG 85 7.744 26.265 -19.071 673 HE ARG 85 HE ARG 85 10.334 26.660 -18.030 674 HH11 ARG 85 1HH2 ARG 85 8.733 26.290 -21.093 675 HH12 ARG 85 2HH2 ARG 85 9.893 27.236 -21.961 676 HH21 ARG 85 1HH1 ARG 85 11.841 27.889 -19.167 677 HH22 ARG 85 2HH1 ARG 85 11.656 28.142 -20.869 Start of MODEL 9 1 H1 MET 1 1H MET 1 -21.960 -24.513 10.712 2 H2 MET 1 2H MET 1 -20.872 -23.742 9.659 3 H3 MET 1 3H MET 1 -21.769 -25.085 9.126 4 HA MET 1 HA MET 1 -23.670 -23.919 8.842 5 HB2 MET 1 1HB MET 1 -23.662 -23.227 11.269 6 HB3 MET 1 2HB MET 1 -22.622 -21.873 10.853 7 HG2 MET 1 1HG MET 1 -24.892 -21.018 10.943 8 HG3 MET 1 2HG MET 1 -24.467 -21.100 9.241 9 HE1 MET 1 3HE MET 1 -27.496 -23.662 11.548 10 HE2 MET 1 1HE MET 1 -27.211 -21.929 11.749 11 HE3 MET 1 2HE MET 1 -25.964 -23.089 12.199 12 H ASN 2 H ASN 2 -23.951 -22.581 7.082 13 HA ASN 2 HA ASN 2 -22.270 -20.333 6.463 14 HB2 ASN 2 1HB ASN 2 -20.701 -22.197 5.924 15 HB3 ASN 2 2HB ASN 2 -21.874 -22.850 4.788 16 HD21 ASN 2 2HD2 ASN 2 -20.070 -19.791 5.452 17 HD22 ASN 2 1HD2 ASN 2 -19.895 -19.371 3.817 18 H TYR 3 H TYR 3 -23.714 -19.011 5.541 19 HA TYR 3 HA TYR 3 -26.214 -19.777 4.460 20 HB2 TYR 3 1HB TYR 3 -24.631 -17.216 3.989 21 HB3 TYR 3 2HB TYR 3 -26.355 -17.426 3.677 22 HD1 TYR 3 HD2 TYR 3 -27.979 -17.635 5.562 23 HD2 TYR 3 HD1 TYR 3 -23.768 -17.098 6.329 24 HE1 TYR 3 HE2 TYR 3 -28.468 -17.097 7.934 25 HE2 TYR 3 HE1 TYR 3 -24.279 -16.566 8.697 26 HH TYR 3 HH TYR 3 -25.863 -16.551 10.277 27 H SER 4 H SER 4 -23.191 -18.821 2.840 28 HA SER 4 HA SER 4 -23.633 -20.569 0.594 29 HB2 SER 4 1HB SER 4 -23.904 -18.846 -1.139 30 HB3 SER 4 2HB SER 4 -25.223 -18.735 0.023 31 HG SER 4 HG SER 4 -23.405 -16.892 -0.646 32 H THR 5 H THR 5 -21.893 -20.425 -0.975 33 HA THR 5 HA THR 5 -19.347 -20.111 0.240 34 HB THR 5 HB THR 5 -20.001 -20.330 -2.731 35 HG1 THR 5 HG1 THR 5 -20.847 -22.112 -1.993 36 HG21 THR 5 3HG2 THR 5 -17.630 -19.763 -2.300 37 HG22 THR 5 1HG2 THR 5 -17.773 -21.434 -2.839 38 HG23 THR 5 2HG2 THR 5 -17.518 -21.081 -1.134 39 H GLY 6 H GLY 6 -17.985 -18.415 0.310 40 HA2 GLY 6 1HA GLY 6 -17.724 -16.332 -1.561 41 HA3 GLY 6 2HA GLY 6 -18.809 -15.768 -0.292 42 H THR 7 H THR 7 -16.690 -14.318 -0.453 43 HA THR 7 HA THR 7 -14.340 -15.209 0.905 44 HB THR 7 HB THR 7 -14.199 -13.261 -0.542 45 HG1 THR 7 HG1 THR 7 -13.750 -11.693 1.440 46 HG21 THR 7 3HG2 THR 7 -15.371 -11.153 -0.006 47 HG22 THR 7 1HG2 THR 7 -16.184 -11.931 1.348 48 HG23 THR 7 2HG2 THR 7 -16.530 -12.445 -0.300 49 H ASP 8 H ASP 8 -13.592 -14.473 2.972 50 HA ASP 8 HA ASP 8 -15.587 -13.620 4.977 51 HB2 ASP 8 1HB ASP 8 -14.044 -16.237 5.208 52 HB3 ASP 8 2HB ASP 8 -15.087 -15.542 6.451 53 H ALA 9 H ALA 9 -12.768 -13.033 3.646 54 HA ALA 9 HA ALA 9 -10.913 -12.957 5.823 55 HB1 ALA 9 3HB ALA 9 -10.968 -11.353 3.240 56 HB2 ALA 9 1HB ALA 9 -10.215 -12.933 3.449 57 HB3 ALA 9 2HB ALA 9 -9.576 -11.532 4.312 58 H ASN 10 H ASN 10 -13.747 -11.353 5.547 59 HA ASN 10 HA ASN 10 -14.676 -9.481 6.472 60 HB2 ASN 10 1HB ASN 10 -12.200 -9.470 8.234 61 HB3 ASN 10 2HB ASN 10 -13.719 -8.652 8.571 62 HD21 ASN 10 2HD2 ASN 10 -15.565 -10.695 7.831 63 HD22 ASN 10 1HD2 ASN 10 -15.358 -12.014 8.879 64 H THR 11 H THR 11 -11.240 -8.559 6.772 65 HA THR 11 HA THR 11 -11.597 -5.901 5.906 66 HB THR 11 HB THR 11 -9.138 -5.851 5.633 67 HG1 THR 11 HG1 THR 11 -9.208 -8.077 4.720 68 HG21 THR 11 3HG2 THR 11 -10.051 -5.744 7.927 69 HG22 THR 11 1HG2 THR 11 -8.514 -6.610 7.906 70 HG23 THR 11 2HG2 THR 11 -10.028 -7.506 8.027 71 H LEU 12 H LEU 12 -10.893 -4.912 3.934 72 HA LEU 12 HA LEU 12 -11.694 -6.423 1.548 73 HB2 LEU 12 1HB LEU 12 -10.837 -3.502 1.745 74 HB3 LEU 12 2HB LEU 12 -11.768 -4.262 0.451 75 HG LEU 12 HG LEU 12 -12.697 -3.869 3.337 76 HD11 LEU 12 1HD1 LEU 12 -13.589 -2.540 0.754 77 HD12 LEU 12 2HD1 LEU 12 -12.666 -1.778 2.051 78 HD13 LEU 12 3HD1 LEU 12 -14.329 -2.288 2.339 79 HD21 LEU 12 3HD2 LEU 12 -13.778 -5.881 2.576 80 HD22 LEU 12 1HD2 LEU 12 -14.055 -5.224 0.962 81 HD23 LEU 12 2HD2 LEU 12 -14.969 -4.617 2.344 82 H PHE 13 H PHE 13 -8.865 -6.141 3.188 83 HA PHE 13 HA PHE 13 -7.100 -6.056 0.783 84 HB2 PHE 13 1HB PHE 13 -6.439 -5.865 3.750 85 HB3 PHE 13 2HB PHE 13 -5.291 -5.693 2.419 86 HD1 PHE 13 HD2 PHE 13 -5.449 -3.744 0.834 87 HD2 PHE 13 HD1 PHE 13 -8.030 -4.041 4.279 88 HE1 PHE 13 HE2 PHE 13 -6.085 -1.361 0.577 89 HE2 PHE 13 HE1 PHE 13 -8.657 -1.664 4.005 90 HZ PHE 13 HZ PHE 13 -7.686 -0.319 2.161 91 H VAL 14 H VAL 14 -6.045 -7.807 0.126 92 HA VAL 14 HA VAL 14 -5.903 -10.274 1.809 93 HB VAL 14 HB VAL 14 -6.680 -10.165 -1.143 94 HG11 VAL 14 1HG1 VAL 14 -7.172 -12.608 -0.794 95 HG12 VAL 14 2HG1 VAL 14 -6.489 -12.490 0.826 96 HG13 VAL 14 3HG1 VAL 14 -5.463 -12.241 -0.586 97 HG21 VAL 14 3HG2 VAL 14 -8.365 -10.746 1.334 98 HG22 VAL 14 1HG2 VAL 14 -8.915 -10.936 -0.331 99 HG23 VAL 14 2HG2 VAL 14 -8.519 -9.338 0.282 100 H ASP 15 H ASP 15 -4.163 -11.624 1.366 101 HA ASP 15 HA ASP 15 -1.709 -10.429 0.735 102 HB2 ASP 15 1HB ASP 15 -1.976 -12.460 2.132 103 HB3 ASP 15 2HB ASP 15 -2.453 -13.377 0.711 104 H GLY 16 H GLY 16 -0.467 -10.348 -1.083 105 HA2 GLY 16 1HA GLY 16 0.264 -10.788 -3.261 106 HA3 GLY 16 2HA GLY 16 -1.141 -11.805 -3.544 107 H GLU 17 H GLU 17 -2.380 -9.130 -2.178 108 HA GLU 17 HA GLU 17 -3.403 -8.063 -4.674 109 HB2 GLU 17 1HB GLU 17 -4.767 -8.243 -2.598 110 HB3 GLU 17 2HB GLU 17 -3.746 -7.032 -1.825 111 HG2 GLU 17 1HG GLU 17 -4.413 -5.361 -3.533 112 HG3 GLU 17 2HG GLU 17 -5.378 -6.577 -4.361 113 H ARG 18 H ARG 18 -2.595 -6.411 -5.812 114 HA ARG 18 HA ARG 18 -0.189 -4.997 -4.984 115 HB2 ARG 18 1HB ARG 18 -0.596 -5.731 -7.332 116 HB3 ARG 18 2HB ARG 18 -1.947 -4.604 -7.443 117 HG2 ARG 18 1HG ARG 18 -0.405 -2.698 -7.036 118 HG3 ARG 18 2HG ARG 18 0.945 -3.822 -6.872 119 HD2 ARG 18 1HD ARG 18 0.907 -2.840 -9.135 120 HD3 ARG 18 2HD ARG 18 0.589 -4.575 -9.214 121 HE ARG 18 HE ARG 18 -1.865 -3.155 -9.001 122 HH11 ARG 18 1HH2 ARG 18 0.731 -3.758 -11.237 123 HH12 ARG 18 2HH2 ARG 18 -0.268 -3.588 -12.641 124 HH21 ARG 18 1HH1 ARG 18 -3.157 -2.937 -10.842 125 HH22 ARG 18 2HH1 ARG 18 -2.462 -3.124 -12.417 126 H VAL 19 H VAL 19 -0.154 -3.074 -3.952 127 HA VAL 19 HA VAL 19 -2.461 -1.188 -4.091 128 HB VAL 19 HB VAL 19 -2.402 -0.842 -1.652 129 HG11 VAL 19 1HG1 VAL 19 -3.962 -2.543 -2.588 130 HG12 VAL 19 2HG1 VAL 19 -3.443 -2.958 -0.954 131 HG13 VAL 19 3HG1 VAL 19 -2.742 -3.793 -2.334 132 HG21 VAL 19 3HG2 VAL 19 -0.259 -3.027 -1.705 133 HG22 VAL 19 1HG2 VAL 19 -1.106 -2.559 -0.229 134 HG23 VAL 19 2HG2 VAL 19 -0.099 -1.389 -1.076 135 H LEU 20 H LEU 20 -1.892 0.930 -3.097 136 HA LEU 20 HA LEU 20 0.921 1.690 -3.763 137 HB2 LEU 20 1HB LEU 20 -1.555 3.464 -3.674 138 HB3 LEU 20 2HB LEU 20 0.035 3.879 -4.314 139 HG LEU 20 HG LEU 20 -1.882 1.788 -5.457 140 HD11 LEU 20 1HD1 LEU 20 -0.971 4.477 -6.549 141 HD12 LEU 20 2HD1 LEU 20 -2.573 4.111 -5.908 142 HD13 LEU 20 3HD1 LEU 20 -2.024 3.336 -7.389 143 HD21 LEU 20 3HD2 LEU 20 0.302 0.938 -5.957 144 HD22 LEU 20 1HD2 LEU 20 0.961 2.545 -6.274 145 HD23 LEU 20 2HD2 LEU 20 -0.161 1.799 -7.413 146 H CYS 21 H CYS 21 2.137 2.752 -2.308 147 HA CYS 21 HA CYS 21 0.983 3.423 0.378 148 HB2 CYS 21 1HB CYS 21 2.308 1.319 0.414 149 HB3 CYS 21 2HB CYS 21 3.705 2.191 -0.216 150 HG CYS 21 HG CYS 21 2.588 2.405 2.656 151 H PHE 22 H PHE 22 1.184 5.524 0.775 152 HA PHE 22 HA PHE 22 3.292 7.156 -0.561 153 HB2 PHE 22 1HB PHE 22 1.886 9.081 -0.001 154 HB3 PHE 22 2HB PHE 22 0.956 7.882 -0.890 155 HD1 PHE 22 HD1 PHE 22 1.471 9.460 2.434 156 HD2 PHE 22 HD2 PHE 22 -0.851 6.576 0.222 157 HE1 PHE 22 HE1 PHE 22 -0.191 9.379 4.270 158 HE2 PHE 22 HE2 PHE 22 -2.506 6.505 2.068 159 HZ PHE 22 HZ PHE 22 -2.179 7.908 4.087 160 H HIS 23 H HIS 23 4.259 8.877 0.754 161 HA HIS 23 HA HIS 23 4.268 8.716 3.627 162 HB2 HIS 23 1HB HIS 23 5.620 6.678 3.013 163 HB3 HIS 23 2HB HIS 23 6.778 7.721 2.197 164 HD1 HIS 23 HD1 HIS 23 5.214 7.341 5.665 165 HD2 HIS 23 HD2 HIS 23 8.760 8.655 3.909 166 HE1 HIS 23 HE1 HIS 23 6.794 7.887 7.566 167 HE2 HIS 23 HE2 HIS 23 8.959 8.691 6.513 168 H GLY 24 H GLY 24 4.308 10.475 1.066 169 HA2 GLY 24 1HA GLY 24 5.313 12.827 2.249 170 HA3 GLY 24 2HA GLY 24 6.550 12.191 1.164 171 HA PRO 25 HA PRO 25 3.608 15.010 -1.222 172 HB2 PRO 25 1HB PRO 25 6.297 15.582 -2.522 173 HB3 PRO 25 2HB PRO 25 4.979 16.722 -2.146 174 HG2 PRO 25 1HG PRO 25 7.085 16.692 -0.569 175 HG3 PRO 25 2HG PRO 25 5.470 16.669 0.183 176 HD2 PRO 25 1HD PRO 25 7.334 14.306 -0.283 177 HD3 PRO 25 2HD PRO 25 6.468 14.760 1.207 178 H LEU 26 H LEU 26 5.321 12.216 -1.804 179 HA LEU 26 HA LEU 26 4.171 11.873 -4.538 180 HB2 LEU 26 1HB LEU 26 6.973 11.263 -3.572 181 HB3 LEU 26 2HB LEU 26 6.312 10.396 -4.950 182 HG LEU 26 HG LEU 26 6.309 13.462 -4.923 183 HD11 LEU 26 1HD1 LEU 26 8.569 11.668 -5.881 184 HD12 LEU 26 2HD1 LEU 26 8.641 12.787 -4.520 185 HD13 LEU 26 3HD1 LEU 26 8.465 13.410 -6.158 186 HD21 LEU 26 3HD2 LEU 26 4.963 12.323 -6.702 187 HD22 LEU 26 1HD2 LEU 26 6.381 11.399 -7.186 188 HD23 LEU 26 2HD2 LEU 26 6.340 13.148 -7.407 189 H ILE 27 H ILE 27 3.702 9.795 -5.155 190 HA ILE 27 HA ILE 27 3.064 7.916 -2.924 191 HB ILE 27 HB ILE 27 1.844 8.097 -5.710 192 HG12 ILE 27 1HG1 ILE 27 0.673 9.032 -3.048 193 HG13 ILE 27 2HG1 ILE 27 1.351 10.118 -4.249 194 HG21 ILE 27 1HG2 ILE 27 1.680 5.832 -4.681 195 HG22 ILE 27 2HG2 ILE 27 0.100 6.586 -4.744 196 HG23 ILE 27 3HG2 ILE 27 0.993 6.547 -3.227 197 HD11 ILE 27 3HD1 ILE 27 -1.051 10.088 -4.523 198 HD12 ILE 27 1HD1 ILE 27 -1.070 8.328 -4.604 199 HD13 ILE 27 2HD1 ILE 27 -0.337 9.265 -5.907 200 H TYR 28 H TYR 28 4.065 6.006 -2.882 201 HA TYR 28 HA TYR 28 5.729 5.087 -5.200 202 HB2 TYR 28 1HB TYR 28 6.017 4.533 -2.215 203 HB3 TYR 28 2HB TYR 28 7.105 3.965 -3.484 204 HD1 TYR 28 HD1 TYR 28 8.576 5.565 -4.722 205 HD2 TYR 28 HD2 TYR 28 5.990 6.932 -1.549 206 HE1 TYR 28 HE1 TYR 28 9.779 7.731 -4.661 207 HE2 TYR 28 HE2 TYR 28 7.214 9.089 -1.499 208 HH TYR 28 HH TYR 28 9.651 9.836 -2.174 209 H GLU 29 H GLU 29 5.774 2.863 -5.664 210 HA GLU 29 HA GLU 29 3.230 1.500 -5.324 211 HB2 GLU 29 1HB GLU 29 4.511 1.509 -7.469 212 HB3 GLU 29 2HB GLU 29 5.777 0.554 -6.705 213 HG2 GLU 29 1HG GLU 29 4.157 -1.282 -6.286 214 HG3 GLU 29 2HG GLU 29 2.865 -0.312 -6.988 215 H ALA 30 H ALA 30 2.869 -0.424 -4.275 216 HA ALA 30 HA ALA 30 4.974 -1.830 -2.804 217 HB1 ALA 30 3HB ALA 30 2.666 -0.458 -1.368 218 HB2 ALA 30 1HB ALA 30 4.361 0.008 -1.260 219 HB3 ALA 30 2HB ALA 30 3.835 -1.550 -0.622 220 H LYS 31 H LYS 31 3.876 -3.675 -1.524 221 HA LYS 31 HA LYS 31 1.374 -4.653 -2.778 222 HB2 LYS 31 1HB LYS 31 3.288 -5.479 -4.173 223 HB3 LYS 31 2HB LYS 31 3.951 -6.277 -2.752 224 HG2 LYS 31 1HG LYS 31 1.966 -7.727 -2.580 225 HG3 LYS 31 2HG LYS 31 1.161 -6.839 -3.869 226 HD2 LYS 31 1HD LYS 31 2.029 -8.913 -4.800 227 HD3 LYS 31 2HD LYS 31 2.967 -7.580 -5.460 228 HE2 LYS 31 1HE LYS 31 4.859 -8.116 -4.045 229 HE3 LYS 31 2HE LYS 31 3.888 -9.198 -3.040 230 HZ1 LYS 31 3HZ LYS 31 5.251 -10.408 -4.622 231 HZ2 LYS 31 1HZ LYS 31 4.504 -9.603 -5.913 232 HZ3 LYS 31 2HZ LYS 31 3.599 -10.650 -4.931 233 H VAL 32 H VAL 32 0.347 -6.289 -1.638 234 HA VAL 32 HA VAL 32 0.863 -6.275 1.261 235 HB VAL 32 HB VAL 32 -1.470 -7.458 -0.322 236 HG11 VAL 32 1HG1 VAL 32 -1.184 -6.713 2.624 237 HG12 VAL 32 2HG1 VAL 32 -1.241 -8.354 1.992 238 HG13 VAL 32 3HG1 VAL 32 -2.654 -7.317 1.859 239 HG21 VAL 32 3HG2 VAL 32 -1.289 -5.021 -0.721 240 HG22 VAL 32 1HG2 VAL 32 -1.183 -4.729 1.016 241 HG23 VAL 32 2HG2 VAL 32 -2.669 -5.366 0.309 242 H LEU 33 H LEU 33 2.077 -7.870 2.102 243 HA LEU 33 HA LEU 33 2.328 -10.486 0.713 244 HB2 LEU 33 1HB LEU 33 4.440 -9.363 1.276 245 HB3 LEU 33 2HB LEU 33 3.964 -9.277 2.958 246 HG LEU 33 HG LEU 33 4.027 -11.761 3.129 247 HD11 LEU 33 1HD1 LEU 33 3.451 -12.579 0.961 248 HD12 LEU 33 2HD1 LEU 33 5.137 -13.019 1.148 249 HD13 LEU 33 3HD1 LEU 33 4.699 -11.619 0.165 250 HD21 LEU 33 3HD2 LEU 33 6.078 -10.468 3.603 251 HD22 LEU 33 1HD2 LEU 33 6.542 -10.586 1.905 252 HD23 LEU 33 2HD2 LEU 33 6.472 -12.037 2.904 253 H LYS 34 H LYS 34 1.241 -9.035 3.740 254 HA LYS 34 HA LYS 34 -0.221 -11.506 4.372 255 HB2 LYS 34 1HB LYS 34 2.027 -11.891 5.338 256 HB3 LYS 34 2HB LYS 34 1.882 -10.441 6.302 257 HG2 LYS 34 1HG LYS 34 -0.178 -11.426 7.396 258 HG3 LYS 34 2HG LYS 34 0.117 -12.914 6.507 259 HD2 LYS 34 1HD LYS 34 1.989 -11.625 8.546 260 HD3 LYS 34 2HD LYS 34 0.993 -13.052 8.821 261 HE2 LYS 34 1HE LYS 34 3.455 -12.805 7.044 262 HE3 LYS 34 2HE LYS 34 3.162 -13.947 8.347 263 HZ1 LYS 34 3HZ LYS 34 2.760 -15.224 6.511 264 HZ2 LYS 34 1HZ LYS 34 2.100 -13.947 5.609 265 HZ3 LYS 34 2HZ LYS 34 1.189 -14.669 6.848 266 H THR 35 H THR 35 -1.938 -11.177 5.706 267 HA THR 35 HA THR 35 -2.509 -8.406 6.682 268 HB THR 35 HB THR 35 -4.802 -8.608 5.832 269 HG1 THR 35 HG1 THR 35 -4.416 -10.788 4.279 270 HG21 THR 35 3HG2 THR 35 -3.068 -7.720 4.277 271 HG22 THR 35 1HG2 THR 35 -4.367 -8.553 3.420 272 HG23 THR 35 2HG2 THR 35 -2.814 -9.350 3.659 273 H LYS 36 H LYS 36 -3.652 -8.274 8.546 274 HA LYS 36 HA LYS 36 -4.301 -10.846 9.961 275 HB2 LYS 36 1HB LYS 36 -2.397 -9.604 10.939 276 HB3 LYS 36 2HB LYS 36 -3.438 -8.224 11.197 277 HG2 LYS 36 1HG LYS 36 -4.887 -9.554 12.711 278 HG3 LYS 36 2HG LYS 36 -3.922 -10.993 12.382 279 HD2 LYS 36 1HD LYS 36 -1.933 -9.874 13.383 280 HD3 LYS 36 2HD LYS 36 -2.921 -8.460 13.745 281 HE2 LYS 36 1HE LYS 36 -4.386 -9.856 15.190 282 HE3 LYS 36 2HE LYS 36 -3.387 -11.267 14.829 283 HZ1 LYS 36 3HZ LYS 36 -2.747 -10.259 16.921 284 HZ2 LYS 36 1HZ LYS 36 -2.462 -8.774 16.152 285 HZ3 LYS 36 2HZ LYS 36 -1.488 -10.119 15.788 286 HA PRO 37 HA PRO 37 -8.273 -8.408 9.608 287 HB2 PRO 37 1HB PRO 37 -9.874 -10.219 8.467 288 HB3 PRO 37 2HB PRO 37 -8.581 -9.475 7.498 289 HG2 PRO 37 1HG PRO 37 -8.544 -12.137 8.933 290 HG3 PRO 37 2HG PRO 37 -8.161 -11.799 7.224 291 HD2 PRO 37 1HD PRO 37 -6.198 -11.953 9.141 292 HD3 PRO 37 2HD PRO 37 -6.041 -10.868 7.753 293 H ASP 38 H ASP 38 -7.077 -10.533 11.659 294 HA ASP 38 HA ASP 38 -9.358 -11.775 12.883 295 HB2 ASP 38 1HB ASP 38 -6.557 -11.178 13.887 296 HB3 ASP 38 2HB ASP 38 -7.713 -12.212 14.728 297 H ALA 39 H ALA 39 -8.950 -8.625 12.534 298 HA ALA 39 HA ALA 39 -10.564 -7.915 14.825 299 HB1 ALA 39 3HB ALA 39 -8.947 -6.367 15.877 300 HB2 ALA 39 1HB ALA 39 -7.707 -6.876 14.729 301 HB3 ALA 39 2HB ALA 39 -8.338 -8.023 15.906 302 H THR 40 H THR 40 -11.161 -5.649 14.835 303 HA THR 40 HA THR 40 -10.665 -4.127 12.337 304 HB THR 40 HB THR 40 -13.057 -3.726 12.006 305 HG1 THR 40 HG1 THR 40 -14.178 -3.967 13.750 306 HG21 THR 40 3HG2 THR 40 -12.581 -6.713 12.332 307 HG22 THR 40 1HG2 THR 40 -11.964 -5.780 10.966 308 HG23 THR 40 2HG2 THR 40 -13.703 -5.938 11.223 309 HA PRO 41 HA PRO 41 -9.841 -2.062 11.917 310 HB2 PRO 41 1HB PRO 41 -7.971 -0.289 12.812 311 HB3 PRO 41 2HB PRO 41 -9.644 0.229 12.484 312 HG2 PRO 41 1HG PRO 41 -8.455 -0.630 15.136 313 HG3 PRO 41 2HG PRO 41 -9.301 0.892 14.751 314 HD2 PRO 41 1HD PRO 41 -10.694 -1.114 15.871 315 HD3 PRO 41 2HD PRO 41 -11.424 -0.205 14.523 316 H VAL 42 H VAL 42 -7.257 -2.119 11.710 317 HA VAL 42 HA VAL 42 -5.820 -3.674 13.660 318 HB VAL 42 HB VAL 42 -7.457 -5.357 12.659 319 HG11 VAL 42 1HG1 VAL 42 -7.157 -6.193 10.406 320 HG12 VAL 42 2HG1 VAL 42 -5.736 -5.185 10.167 321 HG13 VAL 42 3HG1 VAL 42 -7.330 -4.442 10.312 322 HG21 VAL 42 3HG2 VAL 42 -4.747 -6.430 11.938 323 HG22 VAL 42 1HG2 VAL 42 -5.980 -7.141 12.959 324 HG23 VAL 42 2HG2 VAL 42 -4.943 -5.881 13.589 325 H GLU 43 H GLU 43 -3.906 -4.893 12.089 326 HA GLU 43 HA GLU 43 -2.621 -2.655 10.602 327 HB2 GLU 43 1HB GLU 43 -0.467 -3.659 11.373 328 HB3 GLU 43 2HB GLU 43 -1.463 -3.092 12.715 329 HG2 GLU 43 1HG GLU 43 -2.273 -5.421 13.089 330 HG3 GLU 43 2HG GLU 43 -1.245 -5.985 11.775 331 H TYR 44 H TYR 44 -1.220 -3.280 8.896 332 HA TYR 44 HA TYR 44 -1.729 -5.942 7.644 333 HB2 TYR 44 1HB TYR 44 -1.777 -3.236 6.246 334 HB3 TYR 44 2HB TYR 44 -2.003 -4.806 5.482 335 HD1 TYR 44 HD1 TYR 44 -3.556 -2.287 7.751 336 HD2 TYR 44 HD2 TYR 44 -4.097 -6.114 5.842 337 HE1 TYR 44 HE1 TYR 44 -5.968 -2.257 8.341 338 HE2 TYR 44 HE2 TYR 44 -6.504 -6.061 6.437 339 HH TYR 44 HH TYR 44 -7.917 -3.290 8.170 340 H TYR 45 H TYR 45 -0.123 -6.711 6.323 341 HA TYR 45 HA TYR 45 2.590 -5.667 6.930 342 HB2 TYR 45 1HB TYR 45 1.872 -8.153 7.135 343 HB3 TYR 45 2HB TYR 45 2.018 -8.219 5.388 344 HD1 TYR 45 HD2 TYR 45 4.280 -7.345 4.333 345 HD2 TYR 45 HD1 TYR 45 3.889 -8.443 8.481 346 HE1 TYR 45 HE2 TYR 45 6.727 -7.654 4.486 347 HE2 TYR 45 HE1 TYR 45 6.346 -8.734 8.620 348 HH TYR 45 HH TYR 45 8.385 -8.639 5.784 349 H ILE 46 H ILE 46 3.049 -4.025 5.619 350 HA ILE 46 HA ILE 46 2.717 -4.310 2.665 351 HB ILE 46 HB ILE 46 3.159 -1.782 4.323 352 HG12 ILE 46 1HG1 ILE 46 0.987 -2.744 4.953 353 HG13 ILE 46 2HG1 ILE 46 0.722 -1.333 3.949 354 HG21 ILE 46 1HG2 ILE 46 3.856 -1.572 1.959 355 HG22 ILE 46 2HG2 ILE 46 2.396 -0.631 2.249 356 HG23 ILE 46 3HG2 ILE 46 2.291 -2.189 1.433 357 HD11 ILE 46 3HD1 ILE 46 0.534 -3.058 1.967 358 HD12 ILE 46 1HD1 ILE 46 -0.802 -2.914 3.101 359 HD13 ILE 46 2HD1 ILE 46 0.333 -4.246 3.253 360 H HIS 47 H HIS 47 4.463 -4.200 1.389 361 HA HIS 47 HA HIS 47 7.118 -3.417 2.469 362 HB2 HIS 47 1HB HIS 47 8.162 -5.439 1.503 363 HB3 HIS 47 2HB HIS 47 6.990 -5.869 2.748 364 HD1 HIS 47 HD1 HIS 47 7.892 -6.625 -0.664 365 HD2 HIS 47 HD2 HIS 47 4.341 -6.576 1.511 366 HE1 HIS 47 HE1 HIS 47 6.225 -7.989 -1.992 367 HE2 HIS 47 HE2 HIS 47 4.040 -7.941 -0.697 368 H TYR 48 H TYR 48 8.306 -2.311 1.024 369 HA TYR 48 HA TYR 48 7.098 -1.464 -1.466 370 HB2 TYR 48 1HB TYR 48 9.874 -0.936 -0.320 371 HB3 TYR 48 2HB TYR 48 9.139 -0.081 -1.675 372 HD1 TYR 48 HD2 TYR 48 7.222 1.482 -1.321 373 HD2 TYR 48 HD1 TYR 48 9.040 -0.567 2.010 374 HE1 TYR 48 HE2 TYR 48 6.057 2.996 0.261 375 HE2 TYR 48 HE1 TYR 48 7.861 0.955 3.575 376 HH TYR 48 HH TYR 48 5.641 3.471 2.381 377 H ALA 49 H ALA 49 7.492 -2.194 -3.479 378 HA ALA 49 HA ALA 49 8.814 -4.700 -3.914 379 HB1 ALA 49 3HB ALA 49 7.795 -2.640 -5.911 380 HB2 ALA 49 1HB ALA 49 6.855 -3.967 -5.231 381 HB3 ALA 49 2HB ALA 49 8.224 -4.311 -6.289 382 H GLY 50 H GLY 50 10.824 -5.135 -4.722 383 HA2 GLY 50 1HA GLY 50 12.883 -4.807 -5.759 384 HA3 GLY 50 2HA GLY 50 12.519 -3.099 -5.964 385 H TRP 51 H TRP 51 11.893 -4.109 -2.803 386 HA TRP 51 HA TRP 51 14.607 -3.334 -1.794 387 HB2 TRP 51 1HB TRP 51 11.905 -2.386 -0.750 388 HB3 TRP 51 2HB TRP 51 13.472 -2.021 -0.024 389 HD1 TRP 51 HD1 TRP 51 11.173 -0.905 -2.787 390 HE1 TRP 51 HE1 TRP 51 12.238 1.055 -4.071 391 HE3 TRP 51 HE3 TRP 51 15.887 -1.053 -0.844 392 HZ2 TRP 51 HZ2 TRP 51 14.761 2.386 -4.254 393 HZ3 TRP 51 HZ3 TRP 51 17.609 0.572 -1.590 394 HH2 TRP 51 HH2 TRP 51 17.050 2.292 -3.291 395 H SER 52 H SER 52 14.892 -3.887 0.495 396 HA SER 52 HA SER 52 14.490 -6.662 0.927 397 HB2 SER 52 1HB SER 52 16.383 -5.439 1.909 398 HB3 SER 52 2HB SER 52 15.279 -4.476 2.888 399 HG SER 52 HG SER 52 16.248 -6.967 3.311 400 H LYS 53 H LYS 53 12.898 -7.756 1.945 401 HA LYS 53 HA LYS 53 10.470 -6.376 2.814 402 HB2 LYS 53 1HB LYS 53 11.182 -9.329 2.630 403 HB3 LYS 53 2HB LYS 53 9.575 -8.690 2.991 404 HG2 LYS 53 1HG LYS 53 9.553 -7.510 0.798 405 HG3 LYS 53 2HG LYS 53 11.147 -8.174 0.428 406 HD2 LYS 53 1HD LYS 53 10.231 -10.471 0.537 407 HD3 LYS 53 2HD LYS 53 8.645 -9.825 0.947 408 HE2 LYS 53 1HE LYS 53 8.746 -10.363 -1.459 409 HE3 LYS 53 2HE LYS 53 8.578 -8.620 -1.231 410 HZ1 LYS 53 3HZ LYS 53 11.187 -9.984 -1.588 411 HZ2 LYS 53 1HZ LYS 53 10.885 -8.315 -1.613 412 HZ3 LYS 53 2HZ LYS 53 10.303 -9.303 -2.868 413 H ASN 54 H ASN 54 13.332 -7.414 4.314 414 HA ASN 54 HA ASN 54 12.324 -8.312 6.832 415 HB2 ASN 54 1HB ASN 54 14.630 -8.769 6.012 416 HB3 ASN 54 2HB ASN 54 15.022 -7.062 6.177 417 HD21 ASN 54 2HD2 ASN 54 13.655 -9.735 8.200 418 HD22 ASN 54 1HD2 ASN 54 14.469 -9.269 9.615 419 H TRP 55 H TRP 55 12.297 -5.283 5.375 420 HA TRP 55 HA TRP 55 12.732 -3.562 7.620 421 HB2 TRP 55 1HB TRP 55 12.818 -2.844 5.213 422 HB3 TRP 55 2HB TRP 55 11.073 -3.036 5.109 423 HD1 TRP 55 HD1 TRP 55 9.635 -1.450 6.905 424 HE1 TRP 55 HE1 TRP 55 10.113 0.971 7.642 425 HE3 TRP 55 HE3 TRP 55 14.568 -1.105 5.635 426 HZ2 TRP 55 HZ2 TRP 55 12.297 2.813 7.687 427 HZ3 TRP 55 HZ3 TRP 55 15.826 0.996 6.034 428 HH2 TRP 55 HH2 TRP 55 14.697 2.955 7.058 429 H ASP 56 H ASP 56 10.053 -5.438 6.488 430 HA ASP 56 HA ASP 56 7.847 -5.664 7.140 431 HB2 ASP 56 1HB ASP 56 9.188 -5.333 9.845 432 HB3 ASP 56 2HB ASP 56 7.632 -6.111 9.559 433 H GLU 57 H GLU 57 7.292 -3.455 6.203 434 HA GLU 57 HA GLU 57 6.932 -1.270 8.113 435 HB2 GLU 57 1HB GLU 57 7.566 -0.938 5.668 436 HB3 GLU 57 2HB GLU 57 5.947 -1.434 5.240 437 HG2 GLU 57 1HG GLU 57 5.992 0.994 5.277 438 HG3 GLU 57 2HG GLU 57 5.040 0.450 6.645 439 H TRP 58 H TRP 58 5.518 -2.290 9.603 440 HA TRP 58 HA TRP 58 2.847 -3.165 8.827 441 HB2 TRP 58 1HB TRP 58 4.452 -2.983 11.384 442 HB3 TRP 58 2HB TRP 58 2.705 -2.941 11.570 443 HD1 TRP 58 HD1 TRP 58 1.493 -5.028 9.933 444 HE1 TRP 58 HE1 TRP 58 2.110 -7.527 10.050 445 HE3 TRP 58 HE3 TRP 58 6.171 -4.695 11.965 446 HZ2 TRP 58 HZ2 TRP 58 4.283 -9.174 10.883 447 HZ3 TRP 58 HZ3 TRP 58 7.493 -6.748 12.417 448 HH2 TRP 58 HH2 TRP 58 6.555 -8.985 11.880 449 H VAL 59 H VAL 59 1.250 -1.759 8.388 450 HA VAL 59 HA VAL 59 1.006 0.731 9.971 451 HB VAL 59 HB VAL 59 0.557 2.010 7.760 452 HG11 VAL 59 1HG1 VAL 59 2.588 2.422 9.086 453 HG12 VAL 59 2HG1 VAL 59 2.958 2.468 7.362 454 HG13 VAL 59 3HG1 VAL 59 3.375 1.054 8.313 455 HG21 VAL 59 3HG2 VAL 59 1.606 1.095 5.733 456 HG22 VAL 59 1HG2 VAL 59 0.382 -0.028 6.325 457 HG23 VAL 59 2HG2 VAL 59 2.094 -0.353 6.608 458 HA PRO 60 HA PRO 60 -3.329 -0.257 9.677 459 HB2 PRO 60 1HB PRO 60 -4.515 2.094 10.362 460 HB3 PRO 60 2HB PRO 60 -3.487 1.227 11.529 461 HG2 PRO 60 1HG PRO 60 -2.690 3.483 9.676 462 HG3 PRO 60 2HG PRO 60 -2.496 3.395 11.444 463 HD2 PRO 60 1HD PRO 60 -0.440 2.725 9.820 464 HD3 PRO 60 2HD PRO 60 -0.751 1.780 11.295 465 H GLU 61 H GLU 61 -5.329 0.352 8.526 466 HA GLU 61 HA GLU 61 -5.070 0.495 5.775 467 HB2 GLU 61 1HB GLU 61 -7.103 -0.235 6.996 468 HB3 GLU 61 2HB GLU 61 -7.442 1.438 7.427 469 HG2 GLU 61 1HG GLU 61 -7.693 2.015 5.023 470 HG3 GLU 61 2HG GLU 61 -7.295 0.359 4.581 471 H ASN 62 H ASN 62 -5.142 3.141 8.043 472 HA ASN 62 HA ASN 62 -5.876 5.283 6.405 473 HB2 ASN 62 1HB ASN 62 -5.551 5.397 8.879 474 HB3 ASN 62 2HB ASN 62 -3.811 5.374 8.630 475 HD21 ASN 62 2HD2 ASN 62 -6.672 7.383 8.500 476 HD22 ASN 62 1HD2 ASN 62 -5.878 8.822 8.077 477 H ARG 63 H ARG 63 -2.711 3.696 6.644 478 HA ARG 63 HA ARG 63 -1.446 5.653 4.828 479 HB2 ARG 63 1HB ARG 63 -0.344 4.414 6.901 480 HB3 ARG 63 2HB ARG 63 -0.126 3.094 5.769 481 HG2 ARG 63 1HG ARG 63 1.920 4.227 5.418 482 HG3 ARG 63 2HG ARG 63 0.942 5.035 4.198 483 HD2 ARG 63 1HD ARG 63 2.129 6.751 5.448 484 HD3 ARG 63 2HD ARG 63 0.438 6.829 5.943 485 HE ARG 63 HE ARG 63 1.068 6.146 8.070 486 HH11 ARG 63 1HH2 ARG 63 3.631 5.484 5.813 487 HH12 ARG 63 2HH2 ARG 63 4.735 4.930 7.027 488 HH21 ARG 63 1HH1 ARG 63 2.516 5.398 9.648 489 HH22 ARG 63 2HH1 ARG 63 4.104 4.882 9.192 490 H VAL 64 H VAL 64 -3.360 2.938 4.447 491 HA VAL 64 HA VAL 64 -2.148 2.207 1.801 492 HB VAL 64 HB VAL 64 -3.943 0.501 3.581 493 HG11 VAL 64 1HG1 VAL 64 -2.300 -0.180 1.105 494 HG12 VAL 64 2HG1 VAL 64 -4.056 -0.084 1.171 495 HG13 VAL 64 3HG1 VAL 64 -3.214 -1.340 2.069 496 HG21 VAL 64 3HG2 VAL 64 -1.867 -0.779 4.091 497 HG22 VAL 64 1HG2 VAL 64 -1.749 0.880 4.670 498 HG23 VAL 64 2HG2 VAL 64 -0.922 0.405 3.189 499 H LEU 65 H LEU 65 -3.433 2.200 0.019 500 HA LEU 65 HA LEU 65 -6.324 2.884 0.272 501 HB2 LEU 65 1HB LEU 65 -6.117 4.504 -1.562 502 HB3 LEU 65 2HB LEU 65 -5.177 4.997 -0.169 503 HG LEU 65 HG LEU 65 -3.528 3.385 -2.089 504 HD11 LEU 65 1HD1 LEU 65 -4.708 6.010 -3.068 505 HD12 LEU 65 2HD1 LEU 65 -4.961 4.422 -3.789 506 HD13 LEU 65 3HD1 LEU 65 -3.362 5.162 -3.830 507 HD21 LEU 65 3HD2 LEU 65 -3.195 6.227 -1.018 508 HD22 LEU 65 1HD2 LEU 65 -1.942 5.240 -1.779 509 HD23 LEU 65 2HD2 LEU 65 -2.605 4.770 -0.215 510 H LYS 66 H LYS 66 -7.566 2.407 -1.600 511 HA LYS 66 HA LYS 66 -7.029 -0.151 -2.728 512 HB2 LYS 66 1HB LYS 66 -9.104 1.984 -3.337 513 HB3 LYS 66 2HB LYS 66 -9.185 0.330 -3.937 514 HG2 LYS 66 1HG LYS 66 -9.817 -0.564 -1.848 515 HG3 LYS 66 2HG LYS 66 -8.862 0.590 -0.929 516 HD2 LYS 66 1HD LYS 66 -10.549 2.358 -1.379 517 HD3 LYS 66 2HD LYS 66 -11.517 1.200 -2.291 518 HE2 LYS 66 1HE LYS 66 -10.773 0.906 0.648 519 HE3 LYS 66 2HE LYS 66 -12.335 1.475 0.057 520 HZ1 LYS 66 3HZ LYS 66 -11.128 -1.205 -0.240 521 HZ2 LYS 66 1HZ LYS 66 -12.388 -0.683 -1.250 522 HZ3 LYS 66 2HZ LYS 66 -12.633 -0.784 0.427 523 H TYR 67 H TYR 67 -6.358 -0.698 -4.792 524 HA TYR 67 HA TYR 67 -4.931 1.303 -6.354 525 HB2 TYR 67 1HB TYR 67 -4.048 -1.001 -6.055 526 HB3 TYR 67 2HB TYR 67 -5.437 -1.652 -6.916 527 HD1 TYR 67 HD2 TYR 67 -5.743 -1.173 -9.380 528 HD2 TYR 67 HD1 TYR 67 -2.210 0.130 -7.278 529 HE1 TYR 67 HE2 TYR 67 -4.591 -0.771 -11.539 530 HE2 TYR 67 HE1 TYR 67 -1.076 0.530 -9.447 531 HH TYR 67 HH TYR 67 -1.554 0.885 -11.732 532 H ASN 68 H ASN 68 -5.789 2.432 -7.983 533 HA ASN 68 HA ASN 68 -7.951 1.347 -9.677 534 HB2 ASN 68 1HB ASN 68 -8.258 3.923 -8.078 535 HB3 ASN 68 2HB ASN 68 -9.394 3.328 -9.291 536 HD21 ASN 68 2HD2 ASN 68 -8.756 3.306 -5.953 537 HD22 ASN 68 1HD2 ASN 68 -9.713 1.971 -5.533 538 H ASP 69 H ASP 69 -8.279 2.553 -11.595 539 HA ASP 69 HA ASP 69 -5.915 3.522 -12.797 540 HB2 ASP 69 1HB ASP 69 -7.433 4.123 -14.691 541 HB3 ASP 69 2HB ASP 69 -7.684 2.478 -14.114 542 H ASP 70 H ASP 70 -8.320 5.105 -10.865 543 HA ASP 70 HA ASP 70 -7.678 7.812 -11.834 544 HB2 ASP 70 1HB ASP 70 -10.032 7.142 -11.291 545 HB3 ASP 70 2HB ASP 70 -9.564 6.928 -9.609 546 H ASN 71 H ASN 71 -6.920 5.669 -9.159 547 HA ASN 71 HA ASN 71 -5.840 7.758 -7.421 548 HB2 ASN 71 1HB ASN 71 -5.554 4.732 -7.334 549 HB3 ASN 71 2HB ASN 71 -5.010 5.834 -6.069 550 HD21 ASN 71 2HD2 ASN 71 -7.511 7.586 -6.579 551 HD22 ASN 71 1HD2 ASN 71 -8.757 6.738 -5.802 552 H VAL 72 H VAL 72 -4.495 5.206 -9.504 553 HA VAL 72 HA VAL 72 -1.760 5.809 -9.094 554 HB VAL 72 HB VAL 72 -2.612 3.725 -10.171 555 HG11 VAL 72 1HG1 VAL 72 -3.371 3.690 -12.477 556 HG12 VAL 72 2HG1 VAL 72 -3.013 5.404 -12.690 557 HG13 VAL 72 3HG1 VAL 72 -4.324 4.904 -11.628 558 HG21 VAL 72 3HG2 VAL 72 -0.819 3.537 -11.875 559 HG22 VAL 72 1HG2 VAL 72 -0.233 4.379 -10.441 560 HG23 VAL 72 2HG2 VAL 72 -0.642 5.291 -11.893 561 H LYS 73 H LYS 73 -4.257 7.267 -10.971 562 HA LYS 73 HA LYS 73 -2.701 8.860 -12.740 563 HB2 LYS 73 1HB LYS 73 -5.133 8.352 -12.990 564 HB3 LYS 73 2HB LYS 73 -5.475 9.418 -11.651 565 HG2 LYS 73 1HG LYS 73 -4.406 11.310 -12.920 566 HG3 LYS 73 2HG LYS 73 -4.232 10.233 -14.301 567 HD2 LYS 73 1HD LYS 73 -6.903 10.939 -12.987 568 HD3 LYS 73 2HD LYS 73 -6.276 11.718 -14.431 569 HE2 LYS 73 1HE LYS 73 -6.223 9.425 -15.548 570 HE3 LYS 73 2HE LYS 73 -7.114 8.804 -14.159 571 HZ1 LYS 73 3HZ LYS 73 -8.226 11.213 -15.241 572 HZ2 LYS 73 1HZ LYS 73 -8.981 9.751 -14.832 573 HZ3 LYS 73 2HZ LYS 73 -8.222 9.920 -16.342 574 H ARG 74 H ARG 74 -3.856 9.333 -9.413 575 HA ARG 74 HA ARG 74 -3.194 12.059 -9.108 576 HB2 ARG 74 1HB ARG 74 -3.081 9.871 -6.991 577 HB3 ARG 74 2HB ARG 74 -3.073 11.599 -6.667 578 HG2 ARG 74 1HG ARG 74 -5.306 11.832 -7.687 579 HG3 ARG 74 2HG ARG 74 -5.320 10.115 -8.079 580 HD2 ARG 74 1HD ARG 74 -6.614 10.486 -6.029 581 HD3 ARG 74 2HD ARG 74 -5.154 9.575 -5.639 582 HE ARG 74 HE ARG 74 -4.645 12.355 -5.341 583 HH11 ARG 74 1HH2 ARG 74 -6.477 9.778 -3.883 584 HH12 ARG 74 2HH2 ARG 74 -6.393 10.446 -2.288 585 HH21 ARG 74 1HH1 ARG 74 -4.548 13.216 -3.240 586 HH22 ARG 74 2HH1 ARG 74 -5.305 12.381 -1.927 587 H ARG 75 H ARG 75 -1.237 9.133 -8.954 588 HA ARG 75 HA ARG 75 1.153 10.387 -7.951 589 HB2 ARG 75 1HB ARG 75 0.747 7.905 -7.879 590 HB3 ARG 75 2HB ARG 75 0.927 7.845 -9.622 591 HG2 ARG 75 1HG ARG 75 3.247 8.676 -9.459 592 HG3 ARG 75 2HG ARG 75 3.083 8.850 -7.712 593 HD2 ARG 75 1HD ARG 75 4.273 6.765 -8.237 594 HD3 ARG 75 2HD ARG 75 2.703 6.392 -7.524 595 HE ARG 75 HE ARG 75 2.475 6.495 -10.356 596 HH11 ARG 75 1HH2 ARG 75 3.829 4.541 -7.809 597 HH12 ARG 75 2HH2 ARG 75 3.704 3.065 -8.704 598 HH21 ARG 75 1HH1 ARG 75 2.323 4.561 -11.506 599 HH22 ARG 75 2HH1 ARG 75 2.854 3.078 -10.790 600 H GLN 76 H GLN 76 -0.175 9.703 -11.141 601 HA GLN 76 HA GLN 76 2.059 10.614 -12.683 602 HB2 GLN 76 1HB GLN 76 -0.888 10.468 -13.431 603 HB3 GLN 76 2HB GLN 76 0.418 10.772 -14.567 604 HG2 GLN 76 1HG GLN 76 1.425 8.583 -14.035 605 HG3 GLN 76 2HG GLN 76 0.164 8.270 -12.850 606 HE21 GLN 76 2HE2 GLN 76 0.016 6.291 -14.502 607 HE22 GLN 76 1HE2 GLN 76 -1.098 6.493 -15.765 608 H GLU 77 H GLU 77 -0.806 12.193 -11.335 609 HA GLU 77 HA GLU 77 -0.410 14.776 -12.518 610 HB2 GLU 77 1HB GLU 77 -1.801 13.929 -9.943 611 HB3 GLU 77 2HB GLU 77 -1.824 15.591 -10.523 612 HG2 GLU 77 1HG GLU 77 -2.866 13.218 -12.132 613 HG3 GLU 77 2HG GLU 77 -3.884 14.272 -11.163 614 H LEU 78 H LEU 78 0.514 13.442 -9.353 615 HA LEU 78 HA LEU 78 1.985 15.681 -8.424 616 HB2 LEU 78 1HB LEU 78 2.129 12.722 -7.773 617 HB3 LEU 78 2HB LEU 78 3.048 13.919 -6.870 618 HG LEU 78 HG LEU 78 -0.003 14.130 -7.135 619 HD11 LEU 78 1HD1 LEU 78 1.548 12.698 -4.937 620 HD12 LEU 78 2HD1 LEU 78 0.491 11.930 -6.121 621 HD13 LEU 78 3HD1 LEU 78 -0.189 13.019 -4.919 622 HD21 LEU 78 3HD2 LEU 78 1.128 16.183 -6.298 623 HD22 LEU 78 1HD2 LEU 78 1.985 15.236 -5.086 624 HD23 LEU 78 2HD2 LEU 78 0.237 15.437 -4.989 625 H ALA 79 H ALA 79 2.842 12.947 -10.448 626 HA ALA 79 HA ALA 79 5.672 13.282 -10.411 627 HB1 ALA 79 3HB ALA 79 5.685 11.880 -12.413 628 HB2 ALA 79 1HB ALA 79 3.961 12.151 -12.649 629 HB3 ALA 79 2HB ALA 79 4.523 11.243 -11.248 630 H ARG 80 H ARG 80 3.127 14.701 -12.430 631 HA ARG 80 HA ARG 80 4.873 16.110 -14.224 632 HB2 ARG 80 1HB ARG 80 1.951 16.485 -13.450 633 HB3 ARG 80 2HB ARG 80 2.737 17.491 -14.668 634 HG2 ARG 80 1HG ARG 80 3.247 15.497 -16.029 635 HG3 ARG 80 2HG ARG 80 2.538 14.449 -14.809 636 HD2 ARG 80 1HD ARG 80 0.338 15.527 -15.143 637 HD3 ARG 80 2HD ARG 80 1.038 16.607 -16.349 638 HE ARG 80 HE ARG 80 0.251 13.855 -16.739 639 HH11 ARG 80 1HH2 ARG 80 2.468 16.325 -17.776 640 HH12 ARG 80 2HH2 ARG 80 2.726 15.624 -19.338 641 HH21 ARG 80 1HH1 ARG 80 0.598 12.946 -18.788 642 HH22 ARG 80 2HH1 ARG 80 1.668 13.716 -19.908 643 H GLN 81 H GLN 81 3.182 17.008 -11.231 644 HA GLN 81 HA GLN 81 4.048 19.719 -11.132 645 HB2 GLN 81 1HB GLN 81 3.194 17.803 -8.928 646 HB3 GLN 81 2HB GLN 81 3.425 19.539 -8.689 647 HG2 GLN 81 1HG GLN 81 1.674 20.021 -10.365 648 HG3 GLN 81 2HG GLN 81 1.454 18.301 -10.658 649 HE21 GLN 81 2HE2 GLN 81 -0.443 20.406 -9.475 650 HE22 GLN 81 1HE2 GLN 81 -0.950 19.724 -8.006 651 H CYS 82 H CYS 82 5.408 16.710 -9.824 652 HA CYS 82 HA CYS 82 7.527 17.857 -8.335 653 HB2 CYS 82 1HB CYS 82 6.751 15.520 -8.068 654 HB3 CYS 82 2HB CYS 82 7.385 15.128 -9.665 655 HG CYS 82 HG CYS 82 9.806 15.774 -8.708 656 H GLY 83 H GLY 83 7.332 16.734 -11.699 657 HA2 GLY 83 1HA GLY 83 9.235 18.569 -12.690 658 HA3 GLY 83 2HA GLY 83 10.037 17.022 -12.411 659 H GLU 84 H GLU 84 10.247 17.443 -14.848 660 HA GLU 84 HA GLU 84 8.563 15.580 -16.235 661 HB2 GLU 84 1HB GLU 84 7.591 17.199 -17.893 662 HB3 GLU 84 2HB GLU 84 6.950 17.418 -16.266 663 HG2 GLU 84 1HG GLU 84 8.553 19.287 -15.886 664 HG3 GLU 84 2HG GLU 84 9.166 19.089 -17.526 665 H ARG 85 H ARG 85 11.345 17.223 -15.816 666 HA ARG 85 HA ARG 85 13.340 17.404 -16.953 667 HB2 ARG 85 1HB ARG 85 12.190 15.035 -18.479 668 HB3 ARG 85 2HB ARG 85 13.887 15.516 -18.472 669 HG2 ARG 85 1HG ARG 85 13.988 15.148 -16.019 670 HG3 ARG 85 2HG ARG 85 12.290 14.679 -16.015 671 HD2 ARG 85 1HD ARG 85 12.811 12.779 -17.532 672 HD3 ARG 85 2HD ARG 85 14.510 13.245 -17.517 673 HE ARG 85 HE ARG 85 14.724 12.286 -15.415 674 HH11 ARG 85 1HH2 ARG 85 11.359 12.766 -16.146 675 HH12 ARG 85 2HH2 ARG 85 10.798 11.916 -14.745 676 HH21 ARG 85 1HH1 ARG 85 13.980 11.183 -13.586 677 HH22 ARG 85 2HH1 ARG 85 12.280 11.023 -13.300 Start of MODEL 10 1 H1 MET 1 1H MET 1 -25.988 -8.293 5.709 2 H2 MET 1 2H MET 1 -26.802 -8.992 7.023 3 H3 MET 1 3H MET 1 -27.679 -8.226 5.787 4 HA MET 1 HA MET 1 -26.444 -10.872 5.840 5 HB2 MET 1 1HB MET 1 -28.901 -9.643 4.521 6 HB3 MET 1 2HB MET 1 -28.481 -11.355 4.438 7 HG2 MET 1 1HG MET 1 -28.627 -11.510 6.910 8 HG3 MET 1 2HG MET 1 -29.061 -9.800 6.991 9 HE1 MET 1 3HE MET 1 -30.819 -11.720 8.416 10 HE2 MET 1 1HE MET 1 -32.448 -11.299 7.867 11 HE3 MET 1 2HE MET 1 -31.266 -10.032 8.184 12 H ASN 2 H ASN 2 -24.819 -8.783 4.775 13 HA ASN 2 HA ASN 2 -24.954 -8.558 1.946 14 HB2 ASN 2 1HB ASN 2 -22.580 -7.801 2.153 15 HB3 ASN 2 2HB ASN 2 -23.643 -7.000 3.307 16 HD21 ASN 2 2HD2 ASN 2 -22.295 -6.684 5.115 17 HD22 ASN 2 1HD2 ASN 2 -21.424 -7.920 5.884 18 H TYR 3 H TYR 3 -23.672 -9.598 0.347 19 HA TYR 3 HA TYR 3 -22.015 -11.881 0.882 20 HB2 TYR 3 1HB TYR 3 -24.262 -12.884 1.333 21 HB3 TYR 3 2HB TYR 3 -24.777 -12.441 -0.288 22 HD1 TYR 3 HD2 TYR 3 -22.515 -14.654 1.682 23 HD2 TYR 3 HD1 TYR 3 -23.920 -13.670 -2.274 24 HE1 TYR 3 HE2 TYR 3 -21.476 -16.720 0.788 25 HE2 TYR 3 HE1 TYR 3 -22.871 -15.740 -3.151 26 HH TYR 3 HH TYR 3 -20.734 -17.687 -1.211 27 H SER 4 H SER 4 -23.442 -9.560 -1.138 28 HA SER 4 HA SER 4 -22.852 -10.518 -3.726 29 HB2 SER 4 1HB SER 4 -22.995 -8.163 -4.419 30 HB3 SER 4 2HB SER 4 -24.265 -8.527 -3.249 31 HG SER 4 HG SER 4 -23.276 -7.327 -1.786 32 H THR 5 H THR 5 -20.853 -8.966 -1.295 33 HA THR 5 HA THR 5 -18.622 -8.271 -2.886 34 HB THR 5 HB THR 5 -17.380 -8.218 -0.753 35 HG1 THR 5 HG1 THR 5 -19.687 -9.561 0.204 36 HG21 THR 5 3HG2 THR 5 -20.249 -7.256 -0.424 37 HG22 THR 5 1HG2 THR 5 -18.960 -6.360 -1.229 38 HG23 THR 5 2HG2 THR 5 -18.861 -6.690 0.503 39 H GLY 6 H GLY 6 -19.323 -11.210 -1.012 40 HA2 GLY 6 1HA GLY 6 -18.455 -13.345 -1.086 41 HA3 GLY 6 2HA GLY 6 -18.127 -13.029 -2.786 42 H THR 7 H THR 7 -16.838 -12.755 0.475 43 HA THR 7 HA THR 7 -14.114 -13.200 -0.494 44 HB THR 7 HB THR 7 -14.172 -10.784 -0.714 45 HG1 THR 7 HG1 THR 7 -13.031 -11.279 1.821 46 HG21 THR 7 3HG2 THR 7 -16.165 -10.323 0.688 47 HG22 THR 7 1HG2 THR 7 -14.805 -9.314 1.172 48 HG23 THR 7 2HG2 THR 7 -15.241 -10.718 2.136 49 H ASP 8 H ASP 8 -12.819 -14.113 1.014 50 HA ASP 8 HA ASP 8 -14.004 -15.331 3.311 51 HB2 ASP 8 1HB ASP 8 -11.083 -15.079 2.524 52 HB3 ASP 8 2HB ASP 8 -11.727 -16.200 3.724 53 H ALA 9 H ALA 9 -11.162 -13.194 3.236 54 HA ALA 9 HA ALA 9 -11.278 -12.544 5.998 55 HB1 ALA 9 3HB ALA 9 -9.219 -12.364 4.641 56 HB2 ALA 9 1HB ALA 9 -9.587 -10.831 5.434 57 HB3 ALA 9 2HB ALA 9 -9.936 -11.045 3.716 58 H ASN 10 H ASN 10 -12.192 -10.845 7.079 59 HA ASN 10 HA ASN 10 -14.486 -9.542 6.014 60 HB2 ASN 10 1HB ASN 10 -14.189 -10.009 8.430 61 HB3 ASN 10 2HB ASN 10 -12.861 -8.854 8.494 62 HD21 ASN 10 2HD2 ASN 10 -16.268 -8.849 7.247 63 HD22 ASN 10 1HD2 ASN 10 -16.649 -7.332 7.907 64 H THR 11 H THR 11 -11.139 -8.468 6.524 65 HA THR 11 HA THR 11 -11.546 -5.734 5.808 66 HB THR 11 HB THR 11 -9.087 -5.655 5.598 67 HG1 THR 11 HG1 THR 11 -8.219 -7.397 4.859 68 HG21 THR 11 3HG2 THR 11 -10.063 -5.651 7.875 69 HG22 THR 11 1HG2 THR 11 -8.505 -6.479 7.855 70 HG23 THR 11 2HG2 THR 11 -9.999 -7.415 7.906 71 H LEU 12 H LEU 12 -10.735 -4.702 3.871 72 HA LEU 12 HA LEU 12 -11.499 -6.154 1.424 73 HB2 LEU 12 1HB LEU 12 -10.671 -3.236 1.730 74 HB3 LEU 12 2HB LEU 12 -11.547 -3.961 0.382 75 HG LEU 12 HG LEU 12 -12.583 -3.668 3.241 76 HD11 LEU 12 1HD1 LEU 12 -13.408 -2.253 0.681 77 HD12 LEU 12 2HD1 LEU 12 -12.491 -1.533 2.007 78 HD13 LEU 12 3HD1 LEU 12 -14.160 -2.041 2.264 79 HD21 LEU 12 3HD2 LEU 12 -13.626 -5.647 2.384 80 HD22 LEU 12 1HD2 LEU 12 -13.833 -4.958 0.774 81 HD23 LEU 12 2HD2 LEU 12 -14.813 -4.384 2.125 82 H PHE 13 H PHE 13 -8.697 -5.794 3.150 83 HA PHE 13 HA PHE 13 -6.873 -5.595 0.814 84 HB2 PHE 13 1HB PHE 13 -6.277 -5.747 3.800 85 HB3 PHE 13 2HB PHE 13 -5.102 -5.442 2.521 86 HD1 PHE 13 HD1 PHE 13 -5.423 -3.398 0.991 87 HD2 PHE 13 HD2 PHE 13 -7.603 -3.879 4.684 88 HE1 PHE 13 HE1 PHE 13 -5.990 -0.984 0.989 89 HE2 PHE 13 HE2 PHE 13 -8.149 -1.464 4.670 90 HZ PHE 13 HZ PHE 13 -7.343 -0.015 2.825 91 H VAL 14 H VAL 14 -6.458 -7.433 -0.209 92 HA VAL 14 HA VAL 14 -6.359 -10.037 1.273 93 HB VAL 14 HB VAL 14 -6.656 -9.559 -1.724 94 HG11 VAL 14 1HG1 VAL 14 -7.363 -11.953 -1.738 95 HG12 VAL 14 2HG1 VAL 14 -7.025 -12.053 -0.012 96 HG13 VAL 14 3HG1 VAL 14 -5.711 -11.780 -1.151 97 HG21 VAL 14 3HG2 VAL 14 -9.052 -10.154 -1.361 98 HG22 VAL 14 1HG2 VAL 14 -8.623 -8.673 -0.509 99 HG23 VAL 14 2HG2 VAL 14 -8.772 -10.188 0.380 100 H ASP 15 H ASP 15 -4.531 -11.225 1.267 101 HA ASP 15 HA ASP 15 -2.025 -10.040 0.795 102 HB2 ASP 15 1HB ASP 15 -1.127 -12.319 1.246 103 HB3 ASP 15 2HB ASP 15 -2.349 -11.840 2.423 104 H GLY 16 H GLY 16 -0.529 -10.254 -0.813 105 HA2 GLY 16 1HA GLY 16 0.433 -10.965 -2.837 106 HA3 GLY 16 2HA GLY 16 -0.984 -11.937 -3.183 107 H GLU 17 H GLU 17 -2.212 -9.086 -2.242 108 HA GLU 17 HA GLU 17 -2.774 -8.217 -4.985 109 HB2 GLU 17 1HB GLU 17 -4.545 -8.352 -3.196 110 HB3 GLU 17 2HB GLU 17 -3.743 -7.037 -2.346 111 HG2 GLU 17 1HG GLU 17 -5.580 -6.100 -3.658 112 HG3 GLU 17 2HG GLU 17 -4.075 -5.581 -4.393 113 H ARG 18 H ARG 18 -1.984 -6.451 -5.963 114 HA ARG 18 HA ARG 18 0.293 -5.039 -4.823 115 HB2 ARG 18 1HB ARG 18 0.178 -5.709 -7.218 116 HB3 ARG 18 2HB ARG 18 -1.167 -4.598 -7.461 117 HG2 ARG 18 1HG ARG 18 0.287 -2.682 -6.829 118 HG3 ARG 18 2HG ARG 18 1.626 -3.792 -6.534 119 HD2 ARG 18 1HD ARG 18 1.821 -2.747 -8.772 120 HD3 ARG 18 2HD ARG 18 1.571 -4.488 -8.915 121 HE ARG 18 HE ARG 18 -0.940 -3.181 -8.958 122 HH11 ARG 18 1HH2 ARG 18 1.921 -3.561 -10.899 123 HH12 ARG 18 2HH2 ARG 18 1.078 -3.382 -12.401 124 HH21 ARG 18 1HH1 ARG 18 -2.027 -2.956 -10.921 125 HH22 ARG 18 2HH1 ARG 18 -1.152 -3.042 -12.413 126 H VAL 19 H VAL 19 0.273 -3.032 -3.931 127 HA VAL 19 HA VAL 19 -2.125 -1.273 -4.153 128 HB VAL 19 HB VAL 19 -2.073 -0.830 -1.708 129 HG11 VAL 19 1HG1 VAL 19 -3.643 -2.520 -2.598 130 HG12 VAL 19 2HG1 VAL 19 -3.099 -2.966 -0.982 131 HG13 VAL 19 3HG1 VAL 19 -2.427 -3.776 -2.391 132 HG21 VAL 19 3HG2 VAL 19 -0.790 -2.430 -0.226 133 HG22 VAL 19 1HG2 VAL 19 0.263 -1.400 -1.191 134 HG23 VAL 19 2HG2 VAL 19 -0.004 -3.071 -1.665 135 H LEU 20 H LEU 20 -1.677 0.874 -3.137 136 HA LEU 20 HA LEU 20 1.089 1.775 -3.839 137 HB2 LEU 20 1HB LEU 20 -1.491 3.379 -3.919 138 HB3 LEU 20 2HB LEU 20 0.085 3.884 -4.499 139 HG LEU 20 HG LEU 20 -1.605 1.614 -5.634 140 HD11 LEU 20 1HD1 LEU 20 -1.805 3.069 -7.625 141 HD12 LEU 20 2HD1 LEU 20 -0.881 4.326 -6.801 142 HD13 LEU 20 3HD1 LEU 20 -2.461 3.845 -6.189 143 HD21 LEU 20 3HD2 LEU 20 0.584 0.874 -6.080 144 HD22 LEU 20 1HD2 LEU 20 1.224 2.499 -6.275 145 HD23 LEU 20 2HD2 LEU 20 0.230 1.789 -7.540 146 H CYS 21 H CYS 21 2.196 3.001 -2.436 147 HA CYS 21 HA CYS 21 0.959 3.718 0.203 148 HB2 CYS 21 1HB CYS 21 2.442 1.732 0.380 149 HB3 CYS 21 2HB CYS 21 3.777 2.675 -0.279 150 HG CYS 21 HG CYS 21 2.703 4.195 2.047 151 H PHE 22 H PHE 22 1.055 5.815 0.603 152 HA PHE 22 HA PHE 22 3.092 7.531 -0.766 153 HB2 PHE 22 1HB PHE 22 1.523 9.362 -0.561 154 HB3 PHE 22 2HB PHE 22 0.717 8.001 -1.328 155 HD1 PHE 22 HD2 PHE 22 -1.012 6.679 -0.099 156 HD2 PHE 22 HD1 PHE 22 0.896 10.075 1.738 157 HE1 PHE 22 HE2 PHE 22 -2.756 6.712 1.661 158 HE2 PHE 22 HE1 PHE 22 -0.849 10.098 3.498 159 HZ PHE 22 HZ PHE 22 -2.676 8.420 3.459 160 H HIS 23 H HIS 23 3.404 9.626 0.581 161 HA HIS 23 HA HIS 23 3.542 9.181 3.488 162 HB2 HIS 23 1HB HIS 23 6.045 9.617 1.801 163 HB3 HIS 23 2HB HIS 23 5.984 9.550 3.564 164 HD1 HIS 23 HD1 HIS 23 5.562 7.390 0.499 165 HD2 HIS 23 HD2 HIS 23 5.794 6.931 4.636 166 HE1 HIS 23 HE1 HIS 23 5.723 4.901 0.935 167 HE2 HIS 23 HE2 HIS 23 5.869 4.604 3.452 168 H GLY 24 H GLY 24 3.937 11.205 0.667 169 HA2 GLY 24 1HA GLY 24 2.671 13.434 1.400 170 HA3 GLY 24 2HA GLY 24 4.219 13.702 2.183 171 HA PRO 25 HA PRO 25 6.201 15.054 -1.532 172 HB2 PRO 25 1HB PRO 25 7.834 12.514 -1.850 173 HB3 PRO 25 2HB PRO 25 8.400 14.198 -1.793 174 HG2 PRO 25 1HG PRO 25 8.728 12.631 0.330 175 HG3 PRO 25 2HG PRO 25 8.186 14.312 0.553 176 HD2 PRO 25 1HD PRO 25 6.506 11.778 0.622 177 HD3 PRO 25 2HD PRO 25 6.462 13.186 1.708 178 H LEU 26 H LEU 26 5.766 11.540 -2.064 179 HA LEU 26 HA LEU 26 3.982 11.971 -4.355 180 HB2 LEU 26 1HB LEU 26 6.679 12.025 -4.987 181 HB3 LEU 26 2HB LEU 26 6.383 10.302 -5.097 182 HG LEU 26 HG LEU 26 4.295 11.024 -6.611 183 HD11 LEU 26 1HD1 LEU 26 4.680 13.511 -6.086 184 HD12 LEU 26 2HD1 LEU 26 4.494 13.104 -7.784 185 HD13 LEU 26 3HD1 LEU 26 6.097 13.426 -7.126 186 HD21 LEU 26 3HD2 LEU 26 7.147 11.247 -7.665 187 HD22 LEU 26 1HD2 LEU 26 5.712 10.954 -8.650 188 HD23 LEU 26 2HD2 LEU 26 6.234 9.748 -7.481 189 H ILE 27 H ILE 27 3.194 9.972 -5.260 190 HA ILE 27 HA ILE 27 2.716 7.966 -3.182 191 HB ILE 27 HB ILE 27 1.644 8.073 -6.040 192 HG12 ILE 27 1HG1 ILE 27 0.345 9.114 -3.474 193 HG13 ILE 27 2HG1 ILE 27 1.083 10.135 -4.687 194 HG21 ILE 27 1HG2 ILE 27 -0.137 6.587 -5.126 195 HG22 ILE 27 2HG2 ILE 27 0.653 6.610 -3.552 196 HG23 ILE 27 3HG2 ILE 27 1.447 5.853 -4.925 197 HD11 ILE 27 3HD1 ILE 27 -1.293 8.315 -5.145 198 HD12 ILE 27 1HD1 ILE 27 -0.513 9.308 -6.374 199 HD13 ILE 27 2HD1 ILE 27 -1.333 10.068 -5.012 200 H TYR 28 H TYR 28 3.798 6.091 -3.027 201 HA TYR 28 HA TYR 28 5.532 5.128 -5.277 202 HB2 TYR 28 1HB TYR 28 5.781 4.678 -2.273 203 HB3 TYR 28 2HB TYR 28 6.887 4.060 -3.503 204 HD1 TYR 28 HD2 TYR 28 8.311 5.638 -4.855 205 HD2 TYR 28 HD1 TYR 28 5.829 7.072 -1.629 206 HE1 TYR 28 HE2 TYR 28 9.526 7.801 -4.867 207 HE2 TYR 28 HE1 TYR 28 7.054 9.228 -1.663 208 HH TYR 28 HH TYR 28 9.840 9.754 -2.755 209 H GLU 29 H GLU 29 5.781 2.830 -5.472 210 HA GLU 29 HA GLU 29 3.214 1.416 -5.225 211 HB2 GLU 29 1HB GLU 29 5.840 0.703 -6.595 212 HB3 GLU 29 2HB GLU 29 4.397 -0.315 -6.636 213 HG2 GLU 29 1HG GLU 29 3.119 1.511 -7.699 214 HG3 GLU 29 2HG GLU 29 4.546 2.548 -7.640 215 H ALA 30 H ALA 30 2.888 -0.440 -4.128 216 HA ALA 30 HA ALA 30 5.008 -1.751 -2.590 217 HB1 ALA 30 3HB ALA 30 2.615 -0.440 -1.236 218 HB2 ALA 30 1HB ALA 30 4.289 0.108 -1.109 219 HB3 ALA 30 2HB ALA 30 3.822 -1.458 -0.443 220 H LYS 31 H LYS 31 3.968 -3.612 -1.327 221 HA LYS 31 HA LYS 31 1.533 -4.697 -2.644 222 HB2 LYS 31 1HB LYS 31 3.518 -5.441 -3.944 223 HB3 LYS 31 2HB LYS 31 4.167 -6.198 -2.505 224 HG2 LYS 31 1HG LYS 31 1.335 -7.018 -3.213 225 HG3 LYS 31 2HG LYS 31 2.552 -7.524 -4.365 226 HD2 LYS 31 1HD LYS 31 2.964 -8.074 -1.391 227 HD3 LYS 31 2HD LYS 31 1.947 -9.127 -2.348 228 HE2 LYS 31 1HE LYS 31 4.848 -8.502 -3.011 229 HE3 LYS 31 2HE LYS 31 4.284 -9.978 -2.233 230 HZ1 LYS 31 3HZ LYS 31 4.119 -9.173 -5.005 231 HZ2 LYS 31 1HZ LYS 31 2.686 -9.841 -4.388 232 HZ3 LYS 31 2HZ LYS 31 4.134 -10.727 -4.321 233 H VAL 32 H VAL 32 0.377 -6.121 -1.435 234 HA VAL 32 HA VAL 32 0.920 -6.152 1.452 235 HB VAL 32 HB VAL 32 -1.501 -7.297 -0.041 236 HG11 VAL 32 1HG1 VAL 32 -2.621 -7.020 2.164 237 HG12 VAL 32 2HG1 VAL 32 -1.110 -6.435 2.860 238 HG13 VAL 32 3HG1 VAL 32 -1.233 -8.099 2.297 239 HG21 VAL 32 3HG2 VAL 32 -1.226 -4.882 -0.549 240 HG22 VAL 32 1HG2 VAL 32 -1.119 -4.524 1.171 241 HG23 VAL 32 2HG2 VAL 32 -2.621 -5.148 0.484 242 H LEU 33 H LEU 33 2.221 -7.731 2.168 243 HA LEU 33 HA LEU 33 2.351 -10.351 0.811 244 HB2 LEU 33 1HB LEU 33 4.477 -9.270 1.460 245 HB3 LEU 33 2HB LEU 33 3.966 -9.261 3.133 246 HG LEU 33 HG LEU 33 3.953 -11.755 3.150 247 HD11 LEU 33 1HD1 LEU 33 3.483 -12.448 0.940 248 HD12 LEU 33 2HD1 LEU 33 5.170 -12.884 1.141 249 HD13 LEU 33 3HD1 LEU 33 4.740 -11.431 0.236 250 HD21 LEU 33 3HD2 LEU 33 6.563 -10.541 2.166 251 HD22 LEU 33 1HD2 LEU 33 6.407 -12.064 3.043 252 HD23 LEU 33 2HD2 LEU 33 5.989 -10.546 3.836 253 H LYS 34 H LYS 34 1.320 -8.939 3.878 254 HA LYS 34 HA LYS 34 -0.292 -11.339 4.423 255 HB2 LYS 34 1HB LYS 34 1.956 -11.808 5.411 256 HB3 LYS 34 2HB LYS 34 1.790 -10.408 6.438 257 HG2 LYS 34 1HG LYS 34 -0.378 -11.473 7.354 258 HG3 LYS 34 2HG LYS 34 0.080 -12.928 6.476 259 HD2 LYS 34 1HD LYS 34 1.673 -11.570 8.703 260 HD3 LYS 34 2HD LYS 34 0.798 -13.091 8.825 261 HE2 LYS 34 1HE LYS 34 2.348 -13.951 6.923 262 HE3 LYS 34 2HE LYS 34 3.352 -12.536 7.281 263 HZ1 LYS 34 3HZ LYS 34 2.587 -13.849 9.669 264 HZ2 LYS 34 1HZ LYS 34 4.142 -13.534 9.069 265 HZ3 LYS 34 2HZ LYS 34 3.325 -14.952 8.608 266 H THR 35 H THR 35 -2.045 -10.940 5.664 267 HA THR 35 HA THR 35 -2.484 -8.171 6.730 268 HB THR 35 HB THR 35 -3.680 -8.243 4.630 269 HG1 THR 35 HG1 THR 35 -4.878 -8.096 6.973 270 HG21 THR 35 3HG2 THR 35 -5.321 -10.038 4.120 271 HG22 THR 35 1HG2 THR 35 -4.817 -10.910 5.566 272 HG23 THR 35 2HG2 THR 35 -3.683 -10.678 4.234 273 H LYS 36 H LYS 36 -3.671 -8.009 8.554 274 HA LYS 36 HA LYS 36 -4.363 -10.580 9.949 275 HB2 LYS 36 1HB LYS 36 -2.537 -9.283 10.990 276 HB3 LYS 36 2HB LYS 36 -3.628 -7.932 11.198 277 HG2 LYS 36 1HG LYS 36 -5.099 -9.281 12.662 278 HG3 LYS 36 2HG LYS 36 -4.093 -10.703 12.377 279 HD2 LYS 36 1HD LYS 36 -2.170 -9.561 13.452 280 HD3 LYS 36 2HD LYS 36 -3.178 -8.142 13.747 281 HE2 LYS 36 1HE LYS 36 -3.034 -9.588 15.769 282 HE3 LYS 36 2HE LYS 36 -4.689 -9.493 15.166 283 HZ1 LYS 36 3HZ LYS 36 -2.824 -11.669 14.411 284 HZ2 LYS 36 1HZ LYS 36 -4.503 -11.609 14.177 285 HZ3 LYS 36 2HZ LYS 36 -3.870 -11.772 15.745 286 HA PRO 37 HA PRO 37 -8.390 -8.317 9.538 287 HB2 PRO 37 1HB PRO 37 -9.952 -10.210 8.484 288 HB3 PRO 37 2HB PRO 37 -8.633 -9.532 7.493 289 HG2 PRO 37 1HG PRO 37 -8.625 -12.088 9.112 290 HG3 PRO 37 2HG PRO 37 -8.182 -11.861 7.401 291 HD2 PRO 37 1HD PRO 37 -6.301 -11.856 9.446 292 HD3 PRO 37 2HD PRO 37 -6.070 -10.942 7.942 293 H ASP 38 H ASP 38 -7.181 -10.468 11.663 294 HA ASP 38 HA ASP 38 -9.493 -11.542 12.968 295 HB2 ASP 38 1HB ASP 38 -6.665 -11.064 13.970 296 HB3 ASP 38 2HB ASP 38 -7.876 -12.036 14.806 297 H ALA 39 H ALA 39 -8.960 -8.431 12.521 298 HA ALA 39 HA ALA 39 -10.492 -7.586 14.818 299 HB1 ALA 39 3HB ALA 39 -8.800 -6.071 15.791 300 HB2 ALA 39 1HB ALA 39 -7.601 -6.660 14.633 301 HB3 ALA 39 2HB ALA 39 -8.252 -7.748 15.857 302 H THR 40 H THR 40 -11.096 -5.365 14.733 303 HA THR 40 HA THR 40 -10.539 -3.897 12.223 304 HB THR 40 HB THR 40 -12.906 -3.517 11.787 305 HG1 THR 40 HG1 THR 40 -14.423 -4.254 13.122 306 HG21 THR 40 3HG2 THR 40 -13.511 -5.749 11.041 307 HG22 THR 40 1HG2 THR 40 -12.471 -6.493 12.249 308 HG23 THR 40 2HG2 THR 40 -11.759 -5.624 10.888 309 HA PRO 41 HA PRO 41 -9.811 -1.846 11.721 310 HB2 PRO 41 1HB PRO 41 -7.997 0.030 12.507 311 HB3 PRO 41 2HB PRO 41 -9.686 0.465 12.157 312 HG2 PRO 41 1HG PRO 41 -8.435 -0.130 14.840 313 HG3 PRO 41 2HG PRO 41 -9.412 1.281 14.360 314 HD2 PRO 41 1HD PRO 41 -10.571 -0.809 15.656 315 HD3 PRO 41 2HD PRO 41 -11.446 0.033 14.354 316 H VAL 42 H VAL 42 -7.278 -1.896 11.427 317 HA VAL 42 HA VAL 42 -5.721 -3.269 13.424 318 HB VAL 42 HB VAL 42 -7.299 -5.094 12.738 319 HG11 VAL 42 1HG1 VAL 42 -7.397 -5.964 10.502 320 HG12 VAL 42 2HG1 VAL 42 -5.962 -5.073 10.003 321 HG13 VAL 42 3HG1 VAL 42 -7.474 -4.218 10.303 322 HG21 VAL 42 3HG2 VAL 42 -4.790 -5.486 13.438 323 HG22 VAL 42 1HG2 VAL 42 -4.529 -5.837 11.736 324 HG23 VAL 42 2HG2 VAL 42 -5.640 -6.815 12.680 325 H GLU 43 H GLU 43 -3.669 -4.248 12.348 326 HA GLU 43 HA GLU 43 -2.587 -2.253 10.466 327 HB2 GLU 43 1HB GLU 43 -0.384 -3.171 11.206 328 HB3 GLU 43 2HB GLU 43 -1.334 -2.533 12.549 329 HG2 GLU 43 1HG GLU 43 -2.069 -4.840 13.119 330 HG3 GLU 43 2HG GLU 43 -1.107 -5.480 11.791 331 H TYR 44 H TYR 44 -0.992 -3.117 8.899 332 HA TYR 44 HA TYR 44 -1.625 -5.799 7.789 333 HB2 TYR 44 1HB TYR 44 -1.675 -3.174 6.243 334 HB3 TYR 44 2HB TYR 44 -1.859 -4.781 5.539 335 HD1 TYR 44 HD1 TYR 44 -3.475 -2.211 7.700 336 HD2 TYR 44 HD2 TYR 44 -3.939 -6.102 5.901 337 HE1 TYR 44 HE1 TYR 44 -5.886 -2.202 8.276 338 HE2 TYR 44 HE2 TYR 44 -6.350 -6.072 6.477 339 HH TYR 44 HH TYR 44 -8.103 -4.474 6.989 340 H TYR 45 H TYR 45 -0.048 -6.667 6.487 341 HA TYR 45 HA TYR 45 2.675 -5.677 7.079 342 HB2 TYR 45 1HB TYR 45 1.884 -8.142 7.270 343 HB3 TYR 45 2HB TYR 45 2.058 -8.211 5.525 344 HD1 TYR 45 HD1 TYR 45 4.352 -7.376 4.508 345 HD2 TYR 45 HD2 TYR 45 3.868 -8.503 8.633 346 HE1 TYR 45 HE1 TYR 45 6.787 -7.731 4.701 347 HE2 TYR 45 HE2 TYR 45 6.315 -8.839 8.817 348 HH TYR 45 HH TYR 45 8.409 -8.635 5.983 349 H ILE 46 H ILE 46 3.188 -4.038 5.759 350 HA ILE 46 HA ILE 46 2.894 -4.361 2.804 351 HB ILE 46 HB ILE 46 3.351 -1.795 4.397 352 HG12 ILE 46 1HG1 ILE 46 1.162 -2.695 5.030 353 HG13 ILE 46 2HG1 ILE 46 0.925 -1.325 3.961 354 HG21 ILE 46 1HG2 ILE 46 4.087 -1.667 2.038 355 HG22 ILE 46 2HG2 ILE 46 2.638 -0.697 2.276 356 HG23 ILE 46 3HG2 ILE 46 2.520 -2.277 1.506 357 HD11 ILE 46 3HD1 ILE 46 0.498 -4.258 3.402 358 HD12 ILE 46 1HD1 ILE 46 0.746 -3.142 2.060 359 HD13 ILE 46 2HD1 ILE 46 -0.607 -2.914 3.158 360 H HIS 47 H HIS 47 4.642 -4.163 1.520 361 HA HIS 47 HA HIS 47 7.288 -3.441 2.619 362 HB2 HIS 47 1HB HIS 47 8.364 -5.482 1.882 363 HB3 HIS 47 2HB HIS 47 6.989 -5.951 2.881 364 HD1 HIS 47 HD1 HIS 47 8.423 -6.332 -0.474 365 HD2 HIS 47 HD2 HIS 47 4.671 -6.824 1.265 366 HE1 HIS 47 HE1 HIS 47 7.041 -7.653 -2.130 367 HE2 HIS 47 HE2 HIS 47 4.761 -7.982 -1.077 368 H TYR 48 H TYR 48 8.639 -2.544 1.105 369 HA TYR 48 HA TYR 48 7.439 -1.568 -1.339 370 HB2 TYR 48 1HB TYR 48 10.313 -1.393 -0.336 371 HB3 TYR 48 2HB TYR 48 9.631 -0.465 -1.671 372 HD1 TYR 48 HD1 TYR 48 7.513 0.969 -1.214 373 HD2 TYR 48 HD2 TYR 48 10.056 -0.517 1.940 374 HE1 TYR 48 HE1 TYR 48 6.573 2.643 0.348 375 HE2 TYR 48 HE2 TYR 48 9.105 1.171 3.484 376 HH TYR 48 HH TYR 48 6.299 2.792 2.935 377 H ALA 49 H ALA 49 7.686 -2.302 -3.376 378 HA ALA 49 HA ALA 49 8.550 -4.974 -3.866 379 HB1 ALA 49 3HB ALA 49 7.963 -2.726 -5.831 380 HB2 ALA 49 1HB ALA 49 6.780 -3.859 -5.178 381 HB3 ALA 49 2HB ALA 49 8.068 -4.443 -6.234 382 H GLY 50 H GLY 50 10.521 -5.750 -4.408 383 HA2 GLY 50 1HA GLY 50 12.637 -5.853 -5.372 384 HA3 GLY 50 2HA GLY 50 12.548 -4.144 -5.780 385 H TRP 51 H TRP 51 11.835 -5.217 -2.542 386 HA TRP 51 HA TRP 51 14.546 -4.488 -1.539 387 HB2 TRP 51 1HB TRP 51 11.928 -3.291 -0.535 388 HB3 TRP 51 2HB TRP 51 13.514 -3.046 0.200 389 HD1 TRP 51 HD1 TRP 51 11.374 -1.870 -2.680 390 HE1 TRP 51 HE1 TRP 51 12.611 -0.017 -3.973 391 HE3 TRP 51 HE3 TRP 51 15.977 -2.224 -0.513 392 HZ2 TRP 51 HZ2 TRP 51 15.214 1.159 -4.076 393 HZ3 TRP 51 HZ3 TRP 51 17.823 -0.728 -1.228 394 HH2 TRP 51 HH2 TRP 51 17.447 0.962 -3.006 395 H SER 52 H SER 52 14.880 -5.081 0.678 396 HA SER 52 HA SER 52 14.152 -7.769 1.204 397 HB2 SER 52 1HB SER 52 15.335 -5.676 3.061 398 HB3 SER 52 2HB SER 52 15.299 -7.414 3.375 399 HG SER 52 HG SER 52 16.876 -5.932 1.659 400 H LYS 53 H LYS 53 12.544 -8.643 2.403 401 HA LYS 53 HA LYS 53 10.336 -6.970 3.320 402 HB2 LYS 53 1HB LYS 53 9.162 -9.116 3.666 403 HB3 LYS 53 2HB LYS 53 9.845 -9.000 2.042 404 HG2 LYS 53 1HG LYS 53 11.791 -10.373 2.769 405 HG3 LYS 53 2HG LYS 53 11.084 -10.518 4.379 406 HD2 LYS 53 1HD LYS 53 9.098 -11.648 3.421 407 HD3 LYS 53 2HD LYS 53 9.781 -11.490 1.800 408 HE2 LYS 53 1HE LYS 53 10.192 -13.754 2.731 409 HE3 LYS 53 2HE LYS 53 11.711 -12.891 2.471 410 HZ1 LYS 53 3HZ LYS 53 10.284 -12.897 5.067 411 HZ2 LYS 53 1HZ LYS 53 11.870 -12.387 4.754 412 HZ3 LYS 53 2HZ LYS 53 11.477 -14.038 4.667 413 H ASN 54 H ASN 54 13.171 -8.007 4.727 414 HA ASN 54 HA ASN 54 12.285 -8.781 7.338 415 HB2 ASN 54 1HB ASN 54 14.667 -8.385 7.969 416 HB3 ASN 54 2HB ASN 54 14.514 -9.380 6.525 417 HD21 ASN 54 2HD2 ASN 54 16.802 -8.601 6.090 418 HD22 ASN 54 1HD2 ASN 54 17.008 -7.099 5.328 419 H TRP 55 H TRP 55 12.344 -5.797 5.728 420 HA TRP 55 HA TRP 55 12.848 -4.023 7.908 421 HB2 TRP 55 1HB TRP 55 12.963 -3.419 5.460 422 HB3 TRP 55 2HB TRP 55 11.207 -3.500 5.386 423 HD1 TRP 55 HD1 TRP 55 9.907 -1.768 7.159 424 HE1 TRP 55 HE1 TRP 55 10.551 0.641 7.800 425 HE3 TRP 55 HE3 TRP 55 14.819 -1.785 5.784 426 HZ2 TRP 55 HZ2 TRP 55 12.849 2.340 7.739 427 HZ3 TRP 55 HZ3 TRP 55 16.218 0.241 6.086 428 HH2 TRP 55 HH2 TRP 55 15.240 2.305 7.062 429 H ASP 56 H ASP 56 10.077 -5.779 6.790 430 HA ASP 56 HA ASP 56 7.863 -5.876 7.421 431 HB2 ASP 56 1HB ASP 56 9.179 -5.580 10.141 432 HB3 ASP 56 2HB ASP 56 7.586 -6.272 9.842 433 H GLU 57 H GLU 57 7.440 -3.672 6.438 434 HA GLU 57 HA GLU 57 7.145 -1.438 8.315 435 HB2 GLU 57 1HB GLU 57 7.890 -1.138 5.913 436 HB3 GLU 57 2HB GLU 57 6.275 -1.580 5.399 437 HG2 GLU 57 1HG GLU 57 5.343 0.321 6.698 438 HG3 GLU 57 2HG GLU 57 6.965 0.769 7.204 439 H TRP 58 H TRP 58 5.602 -2.382 9.754 440 HA TRP 58 HA TRP 58 2.945 -3.131 8.851 441 HB2 TRP 58 1HB TRP 58 4.392 -2.964 11.499 442 HB3 TRP 58 2HB TRP 58 2.643 -2.804 11.574 443 HD1 TRP 58 HD1 TRP 58 1.353 -4.846 10.007 444 HE1 TRP 58 HE1 TRP 58 1.810 -7.374 10.174 445 HE3 TRP 58 HE3 TRP 58 6.009 -4.763 12.102 446 HZ2 TRP 58 HZ2 TRP 58 3.869 -9.138 11.066 447 HZ3 TRP 58 HZ3 TRP 58 7.198 -6.882 12.604 448 HH2 TRP 58 HH2 TRP 58 6.135 -9.067 12.093 449 H VAL 59 H VAL 59 1.407 -1.682 8.326 450 HA VAL 59 HA VAL 59 1.264 0.909 9.762 451 HB VAL 59 HB VAL 59 0.852 2.013 7.386 452 HG11 VAL 59 1HG1 VAL 59 2.800 2.586 8.769 453 HG12 VAL 59 2HG1 VAL 59 3.298 2.421 7.086 454 HG13 VAL 59 3HG1 VAL 59 3.634 1.131 8.238 455 HG21 VAL 59 3HG2 VAL 59 1.999 0.921 5.517 456 HG22 VAL 59 1HG2 VAL 59 0.775 -0.173 6.160 457 HG23 VAL 59 2HG2 VAL 59 2.478 -0.429 6.540 458 HA PRO 60 HA PRO 60 -3.105 0.141 9.614 459 HB2 PRO 60 1HB PRO 60 -4.171 2.644 9.911 460 HB3 PRO 60 2HB PRO 60 -3.220 1.891 11.215 461 HG2 PRO 60 1HG PRO 60 -2.246 3.795 9.074 462 HG3 PRO 60 2HG PRO 60 -2.088 3.956 10.842 463 HD2 PRO 60 1HD PRO 60 -0.044 2.938 9.421 464 HD3 PRO 60 2HD PRO 60 -0.481 2.188 10.972 465 H GLU 61 H GLU 61 -5.036 0.488 8.333 466 HA GLU 61 HA GLU 61 -4.670 0.415 5.571 467 HB2 GLU 61 1HB GLU 61 -7.175 0.685 5.449 468 HB3 GLU 61 2HB GLU 61 -6.655 -0.545 6.605 469 HG2 GLU 61 1HG GLU 61 -6.898 1.095 8.463 470 HG3 GLU 61 2HG GLU 61 -7.437 2.314 7.314 471 H ASN 62 H ASN 62 -4.763 3.132 7.624 472 HA ASN 62 HA ASN 62 -5.857 5.124 5.941 473 HB2 ASN 62 1HB ASN 62 -3.691 5.461 8.044 474 HB3 ASN 62 2HB ASN 62 -4.733 6.729 7.412 475 HD21 ASN 62 2HD2 ASN 62 -4.417 5.010 10.146 476 HD22 ASN 62 1HD2 ASN 62 -6.045 4.795 10.578 477 H ARG 63 H ARG 63 -2.515 3.916 6.197 478 HA ARG 63 HA ARG 63 -1.543 5.807 4.153 479 HB2 ARG 63 1HB ARG 63 -0.164 3.592 5.718 480 HB3 ARG 63 2HB ARG 63 0.655 4.661 4.575 481 HG2 ARG 63 1HG ARG 63 -0.005 6.630 5.928 482 HG3 ARG 63 2HG ARG 63 -0.829 5.572 7.074 483 HD2 ARG 63 1HD ARG 63 1.324 4.446 7.581 484 HD3 ARG 63 2HD ARG 63 2.147 5.520 6.445 485 HE ARG 63 HE ARG 63 0.750 7.118 8.290 486 HH11 ARG 63 1HH2 ARG 63 3.410 4.880 8.207 487 HH12 ARG 63 2HH2 ARG 63 4.233 5.612 9.542 488 HH21 ARG 63 1HH1 ARG 63 1.832 8.062 10.031 489 HH22 ARG 63 2HH1 ARG 63 3.342 7.410 10.572 490 H VAL 64 H VAL 64 -3.214 2.937 4.049 491 HA VAL 64 HA VAL 64 -1.935 2.079 1.481 492 HB VAL 64 HB VAL 64 -3.622 0.365 3.358 493 HG11 VAL 64 1HG1 VAL 64 -3.607 -0.371 0.984 494 HG12 VAL 64 2HG1 VAL 64 -2.719 -1.503 1.990 495 HG13 VAL 64 3HG1 VAL 64 -1.847 -0.347 0.985 496 HG21 VAL 64 3HG2 VAL 64 -0.590 0.485 3.047 497 HG22 VAL 64 1HG2 VAL 64 -1.471 -0.693 4.021 498 HG23 VAL 64 2HG2 VAL 64 -1.494 1.010 4.468 499 H LEU 65 H LEU 65 -3.162 1.932 -0.289 500 HA LEU 65 HA LEU 65 -6.116 2.278 -0.131 501 HB2 LEU 65 1HB LEU 65 -6.025 3.956 -1.956 502 HB3 LEU 65 2HB LEU 65 -5.283 4.540 -0.478 503 HG LEU 65 HG LEU 65 -3.374 3.185 -2.398 504 HD11 LEU 65 1HD1 LEU 65 -4.717 4.396 -3.996 505 HD12 LEU 65 2HD1 LEU 65 -3.158 5.192 -3.840 506 HD13 LEU 65 3HD1 LEU 65 -4.587 5.882 -3.063 507 HD21 LEU 65 3HD2 LEU 65 -1.874 4.990 -1.698 508 HD22 LEU 65 1HD2 LEU 65 -2.637 4.293 -0.269 509 HD23 LEU 65 2HD2 LEU 65 -3.203 5.840 -0.903 510 H LYS 66 H LYS 66 -7.218 1.688 -2.055 511 HA LYS 66 HA LYS 66 -6.229 -0.740 -3.210 512 HB2 LYS 66 1HB LYS 66 -8.628 0.989 -3.933 513 HB3 LYS 66 2HB LYS 66 -8.328 -0.643 -4.537 514 HG2 LYS 66 1HG LYS 66 -8.435 -1.544 -2.243 515 HG3 LYS 66 2HG LYS 66 -8.629 0.081 -1.592 516 HD2 LYS 66 1HD LYS 66 -10.822 -0.998 -1.678 517 HD3 LYS 66 2HD LYS 66 -10.784 0.312 -2.851 518 HE2 LYS 66 1HE LYS 66 -10.606 -1.245 -4.699 519 HE3 LYS 66 2HE LYS 66 -10.200 -2.584 -3.621 520 HZ1 LYS 66 3HZ LYS 66 -12.491 -2.003 -2.585 521 HZ2 LYS 66 1HZ LYS 66 -12.406 -2.940 -3.996 522 HZ3 LYS 66 2HZ LYS 66 -12.788 -1.288 -4.098 523 H TYR 67 H TYR 67 -5.809 -1.165 -5.402 524 HA TYR 67 HA TYR 67 -4.408 1.002 -6.819 525 HB2 TYR 67 1HB TYR 67 -3.375 -1.255 -6.549 526 HB3 TYR 67 2HB TYR 67 -4.687 -1.964 -7.484 527 HD1 TYR 67 HD2 TYR 67 -4.898 -1.505 -9.936 528 HD2 TYR 67 HD1 TYR 67 -1.647 0.159 -7.651 529 HE1 TYR 67 HE2 TYR 67 -3.726 -0.893 -12.033 530 HE2 TYR 67 HE1 TYR 67 -0.491 0.775 -9.757 531 HH TYR 67 HH TYR 67 -1.944 0.949 -12.668 532 H ASN 68 H ASN 68 -5.526 2.233 -8.191 533 HA ASN 68 HA ASN 68 -7.353 1.039 -10.170 534 HB2 ASN 68 1HB ASN 68 -8.288 3.189 -8.224 535 HB3 ASN 68 2HB ASN 68 -9.204 2.595 -9.607 536 HD21 ASN 68 2HD2 ASN 68 -9.222 -0.053 -9.535 537 HD22 ASN 68 1HD2 ASN 68 -9.697 -0.677 -8.030 538 H ASP 69 H ASP 69 -7.698 2.333 -11.961 539 HA ASP 69 HA ASP 69 -5.633 3.875 -12.899 540 HB2 ASP 69 1HB ASP 69 -7.467 2.931 -14.285 541 HB3 ASP 69 2HB ASP 69 -8.558 4.166 -13.668 542 H ASP 70 H ASP 70 -8.183 4.879 -10.753 543 HA ASP 70 HA ASP 70 -7.918 7.723 -11.160 544 HB2 ASP 70 1HB ASP 70 -9.098 6.174 -8.820 545 HB3 ASP 70 2HB ASP 70 -9.329 7.894 -9.147 546 H ASN 71 H ASN 71 -6.727 5.440 -8.669 547 HA ASN 71 HA ASN 71 -5.302 7.393 -7.158 548 HB2 ASN 71 1HB ASN 71 -4.740 4.411 -7.388 549 HB3 ASN 71 2HB ASN 71 -4.219 5.496 -6.098 550 HD21 ASN 71 2HD2 ASN 71 -6.544 3.214 -6.754 551 HD22 ASN 71 1HD2 ASN 71 -7.777 3.772 -5.730 552 H VAL 72 H VAL 72 -4.526 5.433 -9.957 553 HA VAL 72 HA VAL 72 -1.711 5.996 -10.070 554 HB VAL 72 HB VAL 72 -3.673 5.223 -12.275 555 HG11 VAL 72 1HG1 VAL 72 -0.621 5.246 -12.278 556 HG12 VAL 72 2HG1 VAL 72 -1.666 6.232 -13.301 557 HG13 VAL 72 3HG1 VAL 72 -1.606 4.491 -13.529 558 HG21 VAL 72 3HG2 VAL 72 -1.709 3.537 -10.666 559 HG22 VAL 72 1HG2 VAL 72 -2.758 2.942 -11.953 560 HG23 VAL 72 2HG2 VAL 72 -3.457 3.540 -10.451 561 H LYS 73 H LYS 73 -4.629 7.495 -11.392 562 HA LYS 73 HA LYS 73 -3.493 9.487 -12.993 563 HB2 LYS 73 1HB LYS 73 -5.905 8.846 -12.960 564 HB3 LYS 73 2HB LYS 73 -6.079 9.672 -11.424 565 HG2 LYS 73 1HG LYS 73 -5.419 11.819 -12.476 566 HG3 LYS 73 2HG LYS 73 -5.240 10.995 -14.025 567 HD2 LYS 73 1HD LYS 73 -7.647 10.350 -13.956 568 HD3 LYS 73 2HD LYS 73 -7.822 11.183 -12.413 569 HE2 LYS 73 1HE LYS 73 -7.215 13.326 -13.501 570 HE3 LYS 73 2HE LYS 73 -7.049 12.490 -15.048 571 HZ1 LYS 73 3HZ LYS 73 -9.310 12.035 -15.137 572 HZ2 LYS 73 1HZ LYS 73 -9.267 13.615 -14.520 573 HZ3 LYS 73 2HZ LYS 73 -9.541 12.304 -13.475 574 H ARG 74 H ARG 74 -4.209 9.403 -9.533 575 HA ARG 74 HA ARG 74 -3.630 12.120 -8.914 576 HB2 ARG 74 1HB ARG 74 -3.486 9.635 -7.163 577 HB3 ARG 74 2HB ARG 74 -3.275 11.271 -6.546 578 HG2 ARG 74 1HG ARG 74 -5.544 11.872 -7.355 579 HG3 ARG 74 2HG ARG 74 -5.763 10.235 -7.960 580 HD2 ARG 74 1HD ARG 74 -5.508 9.350 -5.652 581 HD3 ARG 74 2HD ARG 74 -5.307 10.994 -5.049 582 HE ARG 74 HE ARG 74 -7.793 9.715 -5.756 583 HH11 ARG 74 1HH2 ARG 74 -6.145 12.777 -5.612 584 HH12 ARG 74 2HH2 ARG 74 -7.603 13.706 -5.547 585 HH21 ARG 74 1HH1 ARG 74 -9.695 10.947 -5.665 586 HH22 ARG 74 2HH1 ARG 74 -9.607 12.674 -5.579 587 H ARG 75 H ARG 75 -1.575 9.229 -9.091 588 HA ARG 75 HA ARG 75 0.826 10.455 -8.107 589 HB2 ARG 75 1HB ARG 75 0.552 7.975 -8.277 590 HB3 ARG 75 2HB ARG 75 0.535 8.101 -10.030 591 HG2 ARG 75 1HG ARG 75 2.853 9.084 -9.955 592 HG3 ARG 75 2HG ARG 75 2.855 8.889 -8.206 593 HD2 ARG 75 1HD ARG 75 2.493 6.588 -10.167 594 HD3 ARG 75 2HD ARG 75 4.045 7.046 -9.463 595 HE ARG 75 HE ARG 75 2.280 6.694 -7.331 596 HH11 ARG 75 1HH2 ARG 75 3.555 4.803 -9.952 597 HH12 ARG 75 2HH2 ARG 75 3.628 3.338 -9.040 598 HH21 ARG 75 1HH1 ARG 75 2.419 4.784 -6.130 599 HH22 ARG 75 2HH1 ARG 75 2.991 3.330 -6.868 600 H GLN 76 H GLN 76 -0.612 10.003 -11.280 601 HA GLN 76 HA GLN 76 1.474 11.188 -12.817 602 HB2 GLN 76 1HB GLN 76 -0.031 9.718 -13.954 603 HB3 GLN 76 2HB GLN 76 -1.428 10.507 -13.259 604 HG2 GLN 76 1HG GLN 76 -1.070 11.011 -15.702 605 HG3 GLN 76 2HG GLN 76 -1.205 12.427 -14.676 606 HE21 GLN 76 2HE2 GLN 76 1.617 10.260 -15.378 607 HE22 GLN 76 1HE2 GLN 76 2.635 11.521 -15.884 608 H GLU 77 H GLU 77 -1.321 12.366 -11.066 609 HA GLU 77 HA GLU 77 -1.296 15.045 -12.140 610 HB2 GLU 77 1HB GLU 77 -3.278 13.926 -10.948 611 HB3 GLU 77 2HB GLU 77 -2.410 14.161 -9.439 612 HG2 GLU 77 1HG GLU 77 -3.952 16.021 -9.674 613 HG3 GLU 77 2HG GLU 77 -2.331 16.649 -9.932 614 H LEU 78 H LEU 78 -0.041 13.485 -9.225 615 HA LEU 78 HA LEU 78 1.239 15.791 -8.139 616 HB2 LEU 78 1HB LEU 78 1.553 12.824 -7.650 617 HB3 LEU 78 2HB LEU 78 2.388 14.028 -6.687 618 HG LEU 78 HG LEU 78 -0.657 14.151 -6.953 619 HD11 LEU 78 1HD1 LEU 78 0.864 12.554 -4.861 620 HD12 LEU 78 2HD1 LEU 78 -0.111 11.865 -6.160 621 HD13 LEU 78 3HD1 LEU 78 -0.881 12.817 -4.897 622 HD21 LEU 78 3HD2 LEU 78 1.260 15.033 -4.734 623 HD22 LEU 78 1HD2 LEU 78 -0.486 15.282 -4.743 624 HD23 LEU 78 2HD2 LEU 78 0.519 16.107 -5.917 625 H ALA 79 H ALA 79 2.117 13.344 -10.445 626 HA ALA 79 HA ALA 79 4.954 13.633 -10.368 627 HB1 ALA 79 3HB ALA 79 3.852 11.752 -11.517 628 HB2 ALA 79 1HB ALA 79 4.955 12.599 -12.600 629 HB3 ALA 79 2HB ALA 79 3.219 12.865 -12.735 630 H ARG 80 H ARG 80 2.579 15.132 -12.606 631 HA ARG 80 HA ARG 80 4.437 16.885 -13.854 632 HB2 ARG 80 1HB ARG 80 2.379 18.135 -14.604 633 HB3 ARG 80 2HB ARG 80 2.296 16.405 -14.938 634 HG2 ARG 80 1HG ARG 80 0.926 16.060 -12.933 635 HG3 ARG 80 2HG ARG 80 1.024 17.764 -12.520 636 HD2 ARG 80 1HD ARG 80 -1.116 17.297 -13.611 637 HD3 ARG 80 2HD ARG 80 -0.129 18.313 -14.662 638 HE ARG 80 HE ARG 80 0.331 15.589 -15.306 639 HH11 ARG 80 1HH2 ARG 80 -2.183 17.987 -15.459 640 HH12 ARG 80 2HH2 ARG 80 -2.908 17.327 -16.886 641 HH21 ARG 80 1HH1 ARG 80 -0.628 14.733 -17.173 642 HH22 ARG 80 2HH1 ARG 80 -2.027 15.490 -17.855 643 H GLN 81 H GLN 81 2.658 17.013 -10.874 644 HA GLN 81 HA GLN 81 2.929 19.820 -10.369 645 HB2 GLN 81 1HB GLN 81 1.313 18.050 -9.273 646 HB3 GLN 81 2HB GLN 81 2.647 17.716 -8.183 647 HG2 GLN 81 1HG GLN 81 1.353 20.446 -8.605 648 HG3 GLN 81 2HG GLN 81 1.067 19.385 -7.231 649 HE21 GLN 81 2HE2 GLN 81 2.756 22.106 -7.982 650 HE22 GLN 81 1HE2 GLN 81 4.089 21.916 -6.950 651 H CYS 82 H CYS 82 4.823 16.947 -9.511 652 HA CYS 82 HA CYS 82 6.670 18.127 -7.767 653 HB2 CYS 82 1HB CYS 82 6.362 15.688 -8.084 654 HB3 CYS 82 2HB CYS 82 7.110 15.805 -9.675 655 HG CYS 82 HG CYS 82 8.627 15.599 -7.115 656 H GLY 83 H GLY 83 6.727 17.733 -11.296 657 HA2 GLY 83 1HA GLY 83 7.920 18.775 -12.941 658 HA3 GLY 83 2HA GLY 83 8.178 20.092 -11.799 659 H GLU 84 H GLU 84 10.312 20.373 -12.531 660 HA GLU 84 HA GLU 84 12.569 20.076 -12.576 661 HB2 GLU 84 1HB GLU 84 12.091 20.067 -10.096 662 HB3 GLU 84 2HB GLU 84 12.053 18.310 -10.148 663 HG2 GLU 84 1HG GLU 84 14.273 19.004 -9.405 664 HG3 GLU 84 2HG GLU 84 14.431 18.337 -11.021 665 H ARG 85 H ARG 85 12.972 18.984 -14.437 666 HA ARG 85 HA ARG 85 12.428 16.285 -15.016 667 HB2 ARG 85 1HB ARG 85 14.102 16.571 -16.860 668 HB3 ARG 85 2HB ARG 85 12.928 17.887 -16.784 669 HG2 ARG 85 1HG ARG 85 14.566 19.284 -15.543 670 HG3 ARG 85 2HG ARG 85 15.747 17.979 -15.621 671 HD2 ARG 85 1HD ARG 85 15.717 18.090 -18.091 672 HD3 ARG 85 2HD ARG 85 14.533 19.399 -18.024 673 HE ARG 85 HE ARG 85 17.375 19.612 -17.566 674 HH11 ARG 85 1HH2 ARG 85 14.270 20.947 -16.736 675 HH12 ARG 85 2HH2 ARG 85 14.909 22.490 -16.280 676 HH21 ARG 85 1HH1 ARG 85 18.198 21.634 -16.961 677 HH22 ARG 85 2HH1 ARG 85 17.129 22.877 -16.406
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