NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
650830 | 6q2i | 30652 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 1H MET 1 0.864 3.546 1.305 2 HA MET 1 HA MET 1 2.824 3.046 0.074 3 HB2 MET 1 1HB MET 1 1.742 5.874 -0.221 4 HB3 MET 1 2HB MET 1 2.730 5.061 -1.426 5 HG2 MET 1 1HG MET 1 0.989 3.323 -1.674 6 HG3 MET 1 2HG MET 1 -0.004 4.155 -0.475 7 HE1 MET 1 1HE MET 1 -1.915 4.878 -3.817 8 HE2 MET 1 2HE MET 1 -1.051 3.386 -3.372 9 HE3 MET 1 3HE MET 1 -2.034 4.242 -2.159 10 H ALA 2 H ALA 2 4.250 3.111 2.199 11 HA ALA 2 HA ALA 2 5.804 5.489 2.628 12 HB1 ALA 2 1HB ALA 2 7.272 4.013 3.964 13 HB2 ALA 2 2HB ALA 2 5.554 3.766 4.357 14 HB3 ALA 2 3HB ALA 2 6.409 2.594 3.329 15 H GLY 3 H GLY 3 6.252 2.598 0.636 16 HA2 GLY 3 1HA GLY 3 7.551 2.411 -1.309 17 HA3 GLY 3 2HA GLY 3 8.153 4.039 -1.057 18 H LEU 4 H LEU 4 8.257 1.706 1.550 19 HA LEU 4 HA LEU 4 11.119 2.021 1.812 20 HB2 LEU 4 1HB LEU 4 9.130 0.175 3.175 21 HB3 LEU 4 2HB LEU 4 10.839 0.273 3.613 22 HG LEU 4 HG LEU 4 8.866 2.578 3.786 23 HD11 LEU 4 1HD1 LEU 4 8.996 2.200 6.208 24 HD12 LEU 4 2HD1 LEU 4 8.325 0.789 5.357 25 HD13 LEU 4 3HD1 LEU 4 10.010 0.765 5.929 26 HD21 LEU 4 1HD2 LEU 4 10.691 3.653 5.061 27 HD22 LEU 4 2HD2 LEU 4 11.731 2.238 4.766 28 HD23 LEU 4 3HD2 LEU 4 11.212 3.260 3.404 29 H THR 5 H THR 5 8.996 -0.373 0.368 30 HA THR 5 HA THR 5 11.375 -2.073 -0.227 31 HB THR 5 HB THR 5 9.760 -3.876 -0.734 32 HG1 THR 5 HG1 THR 5 7.865 -3.087 -1.318 33 HG21 THR 5 1HG2 THR 5 8.903 -4.226 1.549 34 HG22 THR 5 2HG2 THR 5 10.576 -3.619 1.583 35 HG23 THR 5 3HG2 THR 5 9.223 -2.520 1.935 36 H VAL 6 H VAL 6 9.112 0.107 -1.588 37 HA VAL 6 HA VAL 6 9.150 -0.965 -4.282 38 HB VAL 6 HB VAL 6 8.402 1.798 -3.231 39 HG11 VAL 6 1HG1 VAL 6 7.246 2.097 -5.367 40 HG12 VAL 6 2HG1 VAL 6 9.002 1.900 -5.581 41 HG13 VAL 6 3HG1 VAL 6 7.904 0.546 -5.939 42 HG21 VAL 6 1HG2 VAL 6 6.086 0.964 -3.488 43 HG22 VAL 6 2HG2 VAL 6 6.715 -0.621 -3.998 44 HG23 VAL 6 3HG2 VAL 6 7.007 -0.037 -2.342 45 H ARG 7 H ARG 7 10.698 -0.813 -5.741 46 HA ARG 7 HA ARG 7 12.539 1.529 -5.612 47 HB2 ARG 7 1HB ARG 7 13.328 -1.373 -6.031 48 HB3 ARG 7 2HB ARG 7 14.397 -0.007 -6.308 49 HG2 ARG 7 1HG ARG 7 13.120 -0.649 -3.639 50 HG3 ARG 7 2HG ARG 7 14.756 -1.145 -4.137 51 HD2 ARG 7 1HD ARG 7 15.366 1.192 -4.428 52 HD3 ARG 7 2HD ARG 7 13.737 1.677 -3.905 53 HE ARG 7 HE ARG 7 15.906 0.625 -2.239 54 HH11 ARG 7 1HH1 ARG 7 12.520 1.526 -2.494 55 HH12 ARG 7 2HH1 ARG 7 12.301 1.680 -0.765 56 HH21 ARG 7 1HH2 ARG 7 15.610 0.828 0.003 57 HH22 ARG 7 2HH2 ARG 7 14.050 1.285 0.649 58 H ASP 8 H ASP 8 10.178 1.047 -7.238 59 HA ASP 8 HA ASP 8 11.487 1.015 -9.917 60 HB2 ASP 8 1HB ASP 8 10.375 -1.186 -9.487 61 HB3 ASP 8 2HB ASP 8 8.850 -0.348 -9.237 62 HA PRO 9 HA PRO 9 9.533 4.983 -9.933 63 HB2 PRO 9 1HB PRO 9 10.238 4.589 -12.874 64 HB3 PRO 9 2HB PRO 9 10.439 6.031 -11.872 65 HG2 PRO 9 1HG PRO 9 12.577 4.525 -12.338 66 HG3 PRO 9 2HG PRO 9 12.308 5.130 -10.700 67 HD2 PRO 9 1HD PRO 9 11.762 2.366 -11.839 68 HD3 PRO 9 2HD PRO 9 12.430 2.824 -10.221 69 H ALA 10 H ALA 10 8.919 2.338 -12.235 70 HA ALA 10 HA ALA 10 6.476 3.322 -13.310 71 HB1 ALA 10 1HB ALA 10 6.052 0.970 -13.949 72 HB2 ALA 10 2HB ALA 10 7.720 1.466 -14.326 73 HB3 ALA 10 3HB ALA 10 7.392 0.453 -12.901 74 H VAL 11 H VAL 11 7.140 1.262 -10.483 75 HA VAL 11 HA VAL 11 4.388 0.950 -9.731 76 HB VAL 11 HB VAL 11 6.954 0.817 -8.093 77 HG11 VAL 11 1HG1 VAL 11 5.630 -0.351 -6.399 78 HG12 VAL 11 2HG1 VAL 11 5.078 1.324 -6.638 79 HG13 VAL 11 3HG1 VAL 11 4.150 -0.027 -7.333 80 HG21 VAL 11 1HG2 VAL 11 6.601 -1.624 -8.294 81 HG22 VAL 11 2HG2 VAL 11 5.156 -1.332 -9.290 82 HG23 VAL 11 3HG2 VAL 11 6.763 -0.864 -9.894 83 H ASP 12 H ASP 12 6.921 3.285 -8.819 84 HA ASP 12 HA ASP 12 5.501 4.720 -6.859 85 HB2 ASP 12 1HB ASP 12 7.589 5.565 -8.888 86 HB3 ASP 12 2HB ASP 12 6.906 6.713 -7.745 87 H ARG 13 H ARG 13 5.441 5.046 -10.401 88 HA ARG 13 HA ARG 13 3.694 7.316 -10.454 89 HB2 ARG 13 1HB ARG 13 4.265 5.134 -12.481 90 HB3 ARG 13 2HB ARG 13 3.198 6.490 -12.813 91 HG2 ARG 13 1HG ARG 13 5.031 8.062 -12.503 92 HG3 ARG 13 2HG ARG 13 6.123 6.726 -12.063 93 HD2 ARG 13 1HD ARG 13 5.816 5.748 -14.259 94 HD3 ARG 13 2HD ARG 13 4.714 7.073 -14.700 95 HE ARG 13 HE ARG 13 7.145 8.197 -13.822 96 HH11 ARG 13 1HH1 ARG 13 5.896 6.260 -16.473 97 HH12 ARG 13 2HH1 ARG 13 7.072 6.852 -17.625 98 HH21 ARG 13 1HH2 ARG 13 8.667 8.958 -15.327 99 HH22 ARG 13 2HH2 ARG 13 8.640 8.379 -16.977 100 H SER 14 H SER 14 3.134 3.821 -10.361 101 HA SER 14 HA SER 14 0.264 4.061 -10.742 102 HB2 SER 14 1HB SER 14 0.195 1.710 -10.332 103 HB3 SER 14 2HB SER 14 1.638 2.023 -11.285 104 HG SER 14 HG SER 14 2.358 2.309 -8.822 105 H LEU 15 H LEU 15 2.413 4.460 -8.086 106 HA LEU 15 HA LEU 15 0.235 4.203 -6.110 107 HB2 LEU 15 1HB LEU 15 3.146 5.032 -5.845 108 HB3 LEU 15 2HB LEU 15 2.012 4.928 -4.495 109 HG LEU 15 HG LEU 15 2.874 2.594 -6.240 110 HD11 LEU 15 1HD1 LEU 15 4.132 1.891 -4.253 111 HD12 LEU 15 2HD1 LEU 15 4.700 3.461 -4.870 112 HD13 LEU 15 3HD1 LEU 15 3.663 3.394 -3.425 113 HD21 LEU 15 1HD2 LEU 15 1.719 1.251 -4.516 114 HD22 LEU 15 2HD2 LEU 15 1.215 2.745 -3.689 115 HD23 LEU 15 3HD2 LEU 15 0.592 2.374 -5.314 116 H ARG 16 H ARG 16 2.093 6.673 -7.811 117 HA ARG 16 HA ARG 16 1.106 8.887 -6.244 118 HB2 ARG 16 1HB ARG 16 2.396 8.687 -8.977 119 HB3 ARG 16 2HB ARG 16 1.873 10.220 -8.298 120 HG2 ARG 16 1HG ARG 16 3.435 10.059 -6.496 121 HG3 ARG 16 2HG ARG 16 3.830 8.374 -6.914 122 HD2 ARG 16 1HD ARG 16 5.542 9.927 -7.655 123 HD3 ARG 16 2HD ARG 16 4.760 9.103 -9.023 124 HE ARG 16 HE ARG 16 3.931 11.117 -9.754 125 HH11 ARG 16 1HH1 ARG 16 5.168 11.487 -6.487 126 HH12 ARG 16 2HH1 ARG 16 5.039 13.232 -6.502 127 HH21 ARG 16 1HH2 ARG 16 3.769 13.382 -9.762 128 HH22 ARG 16 2HH2 ARG 16 4.248 14.305 -8.355 129 H SER 17 H SER 17 0.030 7.225 -9.172 130 HA SER 17 HA SER 17 -2.207 9.153 -9.462 131 HB2 SER 17 1HB SER 17 -2.637 8.032 -11.582 132 HB3 SER 17 2HB SER 17 -0.949 8.508 -11.480 133 HG SER 17 HG SER 17 -0.390 6.455 -11.009 134 H VAL 18 H VAL 18 -4.387 8.492 -9.543 135 HA VAL 18 HA VAL 18 -4.906 5.718 -8.564 136 HB VAL 18 HB VAL 18 -6.877 6.583 -7.342 137 HG11 VAL 18 1HG1 VAL 18 -5.685 7.703 -5.522 138 HG12 VAL 18 2HG1 VAL 18 -4.781 6.304 -6.150 139 HG13 VAL 18 3HG1 VAL 18 -4.287 7.955 -6.594 140 HG21 VAL 18 1HG2 VAL 18 -7.141 9.024 -7.035 141 HG22 VAL 18 2HG2 VAL 18 -5.790 9.310 -8.158 142 HG23 VAL 18 3HG2 VAL 18 -7.298 8.570 -8.749 143 H PHE 19 H PHE 19 -6.839 4.734 -9.295 144 HA PHE 19 HA PHE 19 -7.456 5.580 -12.048 145 HB2 PHE 19 1HB PHE 19 -6.915 3.209 -11.559 146 HB3 PHE 19 2HB PHE 19 -8.299 3.107 -10.483 147 HD1 PHE 19 HD1 PHE 19 -7.741 4.421 -13.951 148 HD2 PHE 19 HD2 PHE 19 -10.024 1.894 -11.371 149 HE1 PHE 19 HE1 PHE 19 -9.175 3.772 -15.857 150 HE2 PHE 19 HE2 PHE 19 -11.458 1.241 -13.276 151 HZ PHE 19 HZ PHE 19 -11.033 2.182 -15.520 152 H VAL 20 H VAL 20 -9.059 6.911 -12.459 153 HA VAL 20 HA VAL 20 -11.364 6.972 -10.568 154 HB VAL 20 HB VAL 20 -10.427 9.045 -12.598 155 HG11 VAL 20 1HG1 VAL 20 -12.085 10.517 -11.563 156 HG12 VAL 20 2HG1 VAL 20 -12.838 9.094 -12.322 157 HG13 VAL 20 3HG1 VAL 20 -12.652 9.166 -10.553 158 HG21 VAL 20 1HG2 VAL 20 -9.809 10.350 -10.588 159 HG22 VAL 20 2HG2 VAL 20 -10.304 8.989 -9.554 160 HG23 VAL 20 3HG2 VAL 20 -8.917 8.812 -10.656 161 H GLY 21 H GLY 21 -13.332 6.380 -11.197 162 HA2 GLY 21 1HA GLY 21 -13.900 6.225 -14.132 163 HA3 GLY 21 2HA GLY 21 -14.283 4.874 -13.082 164 H ASN 22 H ASN 22 -16.403 5.633 -14.309 165 HA ASN 22 HA ASN 22 -18.546 6.448 -14.100 166 HB2 ASN 22 1HB ASN 22 -17.750 6.704 -11.181 167 HB3 ASN 22 2HB ASN 22 -19.392 6.835 -11.795 168 HD21 ASN 22 1HD2 ASN 22 -18.941 3.401 -10.574 169 HD22 ASN 22 2HD2 ASN 22 -18.910 5.000 -9.908 170 H ILE 23 H ILE 23 -16.617 8.254 -14.990 171 HA ILE 23 HA ILE 23 -17.825 10.785 -13.958 172 HB ILE 23 HB ILE 23 -15.697 11.924 -14.673 173 HG12 ILE 23 1HG1 ILE 23 -14.609 9.113 -14.940 174 HG13 ILE 23 2HG1 ILE 23 -15.017 10.157 -16.293 175 HG21 ILE 23 1HG2 ILE 23 -14.362 11.163 -12.749 176 HG22 ILE 23 2HG2 ILE 23 -16.081 11.312 -12.316 177 HG23 ILE 23 3HG2 ILE 23 -15.376 9.707 -12.617 178 HD11 ILE 23 1HD1 ILE 23 -12.629 10.203 -15.837 179 HD12 ILE 23 2HD1 ILE 23 -13.354 11.802 -15.541 180 HD13 ILE 23 3HD1 ILE 23 -12.940 10.744 -14.171 181 HA PRO 24 HA PRO 24 -19.405 11.615 -17.873 182 HB2 PRO 24 1HB PRO 24 -18.230 14.401 -17.568 183 HB3 PRO 24 2HB PRO 24 -19.886 13.930 -17.968 184 HG2 PRO 24 1HG PRO 24 -19.368 14.742 -15.486 185 HG3 PRO 24 2HG PRO 24 -20.413 13.338 -15.725 186 HD2 PRO 24 1HD PRO 24 -17.461 13.427 -14.982 187 HD3 PRO 24 2HD PRO 24 -18.775 12.383 -14.306 188 H TYR 25 H TYR 25 -18.727 11.412 -19.963 189 HA TYR 25 HA TYR 25 -15.901 11.406 -20.596 190 HB2 TYR 25 1HB TYR 25 -16.551 10.709 -22.769 191 HB3 TYR 25 2HB TYR 25 -17.721 9.971 -21.683 192 HD1 TYR 25 HD1 TYR 25 -17.181 12.544 -24.249 193 HD2 TYR 25 HD2 TYR 25 -20.037 10.676 -21.649 194 HE1 TYR 25 HE1 TYR 25 -19.025 13.565 -25.541 195 HE2 TYR 25 HE2 TYR 25 -21.881 11.697 -22.940 196 HH TYR 25 HH TYR 25 -21.227 13.854 -25.689 197 H GLU 26 H GLU 26 -18.386 13.803 -20.607 198 HA GLU 26 HA GLU 26 -17.202 15.538 -22.588 199 HB2 GLU 26 1HB GLU 26 -19.175 16.062 -20.332 200 HB3 GLU 26 2HB GLU 26 -18.693 17.281 -21.503 201 HG2 GLU 26 1HG GLU 26 -19.594 15.913 -23.326 202 HG3 GLU 26 2HG GLU 26 -20.046 14.659 -22.173 203 H ALA 27 H ALA 27 -16.790 15.079 -19.125 204 HA ALA 27 HA ALA 27 -15.422 17.519 -18.585 205 HB1 ALA 27 1HB ALA 27 -14.578 16.354 -16.572 206 HB2 ALA 27 2HB ALA 27 -16.321 16.085 -16.808 207 HB3 ALA 27 3HB ALA 27 -15.159 14.808 -17.234 208 H THR 28 H THR 28 -13.440 18.224 -18.949 209 HA THR 28 HA THR 28 -11.662 16.495 -20.541 210 HB THR 28 HB THR 28 -10.367 18.523 -20.964 211 HG1 THR 28 HG1 THR 28 -11.671 20.463 -19.865 212 HG21 THR 28 1HG2 THR 28 -12.101 19.922 -22.015 213 HG22 THR 28 2HG2 THR 28 -12.425 18.194 -22.290 214 HG23 THR 28 3HG2 THR 28 -13.354 19.089 -21.066 215 H GLU 29 H GLU 29 -9.259 16.704 -20.107 216 HA GLU 29 HA GLU 29 -8.681 15.590 -17.549 217 HB2 GLU 29 1HB GLU 29 -6.887 16.819 -19.675 218 HB3 GLU 29 2HB GLU 29 -6.263 16.049 -18.223 219 HG2 GLU 29 1HG GLU 29 -7.273 13.929 -18.866 220 HG3 GLU 29 2HG GLU 29 -8.015 14.682 -20.276 221 H GLU 30 H GLU 30 -8.451 18.892 -18.808 222 HA GLU 30 HA GLU 30 -7.057 19.962 -16.531 223 HB2 GLU 30 1HB GLU 30 -7.124 21.101 -18.729 224 HB3 GLU 30 2HB GLU 30 -8.857 21.345 -18.562 225 HG2 GLU 30 1HG GLU 30 -7.747 23.388 -18.036 226 HG3 GLU 30 2HG GLU 30 -8.441 22.738 -16.552 227 H GLN 31 H GLN 31 -10.503 19.771 -17.421 228 HA GLN 31 HA GLN 31 -11.471 21.170 -15.122 229 HB2 GLN 31 1HB GLN 31 -12.767 19.114 -16.948 230 HB3 GLN 31 2HB GLN 31 -13.635 19.927 -15.654 231 HG2 GLN 31 1HG GLN 31 -13.292 22.079 -16.688 232 HG3 GLN 31 2HG GLN 31 -12.254 21.343 -17.942 233 HE21 GLN 31 1HE2 GLN 31 -15.993 21.836 -18.857 234 HE22 GLN 31 2HE2 GLN 31 -14.979 22.823 -17.858 235 H LEU 32 H LEU 32 -10.982 17.697 -15.771 236 HA LEU 32 HA LEU 32 -12.052 16.825 -13.259 237 HB2 LEU 32 1HB LEU 32 -10.134 15.518 -15.215 238 HB3 LEU 32 2HB LEU 32 -10.786 14.700 -13.792 239 HG LEU 32 HG LEU 32 -12.537 15.842 -15.991 240 HD11 LEU 32 1HD1 LEU 32 -12.680 13.543 -16.839 241 HD12 LEU 32 2HD1 LEU 32 -11.021 14.178 -16.936 242 HD13 LEU 32 3HD1 LEU 32 -11.460 13.029 -15.650 243 HD21 LEU 32 1HD2 LEU 32 -14.197 14.308 -14.991 244 HD22 LEU 32 2HD2 LEU 32 -12.999 13.803 -13.775 245 HD23 LEU 32 3HD2 LEU 32 -13.602 15.478 -13.789 246 H LYS 33 H LYS 33 -8.772 17.633 -14.356 247 HA LYS 33 HA LYS 33 -7.330 16.933 -12.046 248 HB2 LYS 33 1HB LYS 33 -6.259 17.750 -14.105 249 HB3 LYS 33 2HB LYS 33 -6.964 19.344 -13.870 250 HG2 LYS 33 1HG LYS 33 -5.339 18.341 -11.602 251 HG3 LYS 33 2HG LYS 33 -4.459 18.647 -13.106 252 HD2 LYS 33 1HD LYS 33 -6.297 20.635 -11.719 253 HD3 LYS 33 2HD LYS 33 -4.530 20.639 -11.625 254 HE2 LYS 33 1HE LYS 33 -4.376 20.990 -14.050 255 HE3 LYS 33 2HE LYS 33 -6.134 20.908 -14.195 256 HZ1 LYS 33 1HZ LYS 33 -5.357 23.163 -14.145 257 HZ2 LYS 33 2HZ LYS 33 -6.281 22.864 -12.812 258 HZ3 LYS 33 3HZ LYS 33 -4.639 22.941 -12.677 259 H ASP 34 H ASP 34 -9.113 19.947 -12.739 260 HA ASP 34 HA ASP 34 -8.516 21.158 -10.203 261 HB2 ASP 34 1HB ASP 34 -10.703 21.648 -12.255 262 HB3 ASP 34 2HB ASP 34 -10.553 22.601 -10.786 263 H ILE 35 H ILE 35 -11.212 19.170 -11.390 264 HA ILE 35 HA ILE 35 -12.927 19.508 -9.160 265 HB ILE 35 HB ILE 35 -12.604 17.230 -11.145 266 HG12 ILE 35 1HG1 ILE 35 -14.829 19.252 -10.834 267 HG13 ILE 35 2HG1 ILE 35 -13.441 19.497 -11.882 268 HG21 ILE 35 1HG2 ILE 35 -14.741 16.354 -10.292 269 HG22 ILE 35 2HG2 ILE 35 -13.485 16.313 -9.033 270 HG23 ILE 35 3HG2 ILE 35 -14.733 17.580 -9.003 271 HD11 ILE 35 1HD1 ILE 35 -15.349 18.662 -13.136 272 HD12 ILE 35 2HD1 ILE 35 -14.024 17.474 -13.149 273 HD13 ILE 35 3HD1 ILE 35 -15.432 17.226 -12.089 274 H PHE 36 H PHE 36 -10.234 17.273 -9.713 275 HA PHE 36 HA PHE 36 -10.833 15.932 -7.132 276 HB2 PHE 36 1HB PHE 36 -8.851 15.203 -9.327 277 HB3 PHE 36 2HB PHE 36 -9.168 14.253 -7.884 278 HD1 PHE 36 HD1 PHE 36 -9.708 14.200 -11.198 279 HD2 PHE 36 HD2 PHE 36 -11.980 14.097 -7.581 280 HE1 PHE 36 HE1 PHE 36 -11.531 13.019 -12.379 281 HE2 PHE 36 HE2 PHE 36 -13.804 12.913 -8.758 282 HZ PHE 36 HZ PHE 36 -13.579 12.376 -11.158 283 H SER 37 H SER 37 -9.449 18.669 -7.735 284 HA SER 37 HA SER 37 -6.888 18.250 -6.351 285 HB2 SER 37 1HB SER 37 -6.543 20.596 -6.651 286 HB3 SER 37 2HB SER 37 -7.223 19.977 -8.148 287 HG SER 37 HG SER 37 -9.236 20.692 -7.466 288 H GLU 38 H GLU 38 -10.144 18.631 -5.493 289 HA GLU 38 HA GLU 38 -9.876 20.226 -3.129 290 HB2 GLU 38 1HB GLU 38 -11.927 18.128 -3.935 291 HB3 GLU 38 2HB GLU 38 -12.064 19.108 -2.482 292 HG2 GLU 38 1HG GLU 38 -12.117 21.147 -3.846 293 HG3 GLU 38 2HG GLU 38 -11.943 20.181 -5.309 294 H VAL 39 H VAL 39 -9.076 16.938 -3.846 295 HA VAL 39 HA VAL 39 -8.828 16.351 -0.928 296 HB VAL 39 HB VAL 39 -8.797 13.954 -1.619 297 HG11 VAL 39 1HG1 VAL 39 -11.165 13.789 -2.211 298 HG12 VAL 39 2HG1 VAL 39 -10.881 14.989 -0.928 299 HG13 VAL 39 3HG1 VAL 39 -11.189 15.526 -2.597 300 HG21 VAL 39 1HG2 VAL 39 -9.434 13.382 -3.941 301 HG22 VAL 39 2HG2 VAL 39 -9.398 15.107 -4.374 302 HG23 VAL 39 3HG2 VAL 39 -7.897 14.278 -3.897 303 H GLY 40 H GLY 40 -6.956 17.794 -2.887 304 HA2 GLY 40 1HA GLY 40 -4.595 17.664 -1.771 305 HA3 GLY 40 2HA GLY 40 -4.559 16.059 -2.475 306 HA PRO 41 HA PRO 41 -3.376 19.704 -5.433 307 HB2 PRO 41 1HB PRO 41 -0.599 18.666 -4.760 308 HB3 PRO 41 2HB PRO 41 -1.107 20.316 -5.143 309 HG2 PRO 41 1HG PRO 41 -0.655 19.701 -2.596 310 HG3 PRO 41 2HG PRO 41 -2.077 20.668 -2.997 311 HD2 PRO 41 1HD PRO 41 -1.891 17.685 -2.406 312 HD3 PRO 41 2HD PRO 41 -3.113 18.887 -1.826 313 H VAL 42 H VAL 42 -3.643 18.971 -7.453 314 HA VAL 42 HA VAL 42 -2.731 16.221 -8.117 315 HB VAL 42 HB VAL 42 -4.625 18.103 -9.590 316 HG11 VAL 42 1HG1 VAL 42 -5.170 16.158 -10.971 317 HG12 VAL 42 2HG1 VAL 42 -3.461 16.631 -11.130 318 HG13 VAL 42 3HG1 VAL 42 -3.906 15.218 -10.143 319 HG21 VAL 42 1HG2 VAL 42 -6.367 16.521 -8.828 320 HG22 VAL 42 2HG2 VAL 42 -5.136 15.598 -7.933 321 HG23 VAL 42 3HG2 VAL 42 -5.527 17.266 -7.448 322 H VAL 43 H VAL 43 -1.041 15.861 -9.379 323 HA VAL 43 HA VAL 43 0.434 18.070 -10.556 324 HB VAL 43 HB VAL 43 0.768 15.049 -10.777 325 HG11 VAL 43 1HG1 VAL 43 2.991 15.523 -11.684 326 HG12 VAL 43 2HG1 VAL 43 1.696 16.132 -12.741 327 HG13 VAL 43 3HG1 VAL 43 2.609 17.260 -11.710 328 HG21 VAL 43 1HG2 VAL 43 2.656 15.441 -9.226 329 HG22 VAL 43 2HG2 VAL 43 2.256 17.174 -9.179 330 HG23 VAL 43 3HG2 VAL 43 1.117 15.979 -8.514 331 H SER 44 H SER 44 -1.440 15.306 -11.836 332 HA SER 44 HA SER 44 -2.285 16.799 -14.155 333 HB2 SER 44 1HB SER 44 0.033 16.387 -14.848 334 HB3 SER 44 2HB SER 44 -0.161 14.666 -14.553 335 HG SER 44 HG SER 44 -1.043 16.239 -16.605 336 H PHE 45 H PHE 45 -3.896 15.780 -15.303 337 HA PHE 45 HA PHE 45 -4.684 13.091 -14.259 338 HB2 PHE 45 1HB PHE 45 -6.257 14.968 -13.700 339 HB3 PHE 45 2HB PHE 45 -6.489 15.251 -15.417 340 HD1 PHE 45 HD1 PHE 45 -7.438 13.275 -12.563 341 HD2 PHE 45 HD2 PHE 45 -7.515 13.435 -16.831 342 HE1 PHE 45 HE1 PHE 45 -9.249 11.593 -12.591 343 HE2 PHE 45 HE2 PHE 45 -9.328 11.754 -16.864 344 HZ PHE 45 HZ PHE 45 -10.194 10.832 -14.742 345 H ARG 46 H ARG 46 -4.868 11.456 -15.633 346 HA ARG 46 HA ARG 46 -4.629 12.087 -18.541 347 HB2 ARG 46 1HB ARG 46 -3.927 9.548 -17.028 348 HB3 ARG 46 2HB ARG 46 -3.795 9.755 -18.768 349 HG2 ARG 46 1HG ARG 46 -2.263 11.366 -16.711 350 HG3 ARG 46 2HG ARG 46 -1.635 9.970 -17.620 351 HD2 ARG 46 1HD ARG 46 -2.569 12.601 -18.739 352 HD3 ARG 46 2HD ARG 46 -0.900 11.993 -18.649 353 HE ARG 46 HE ARG 46 -2.938 11.291 -20.588 354 HH11 ARG 46 1HH1 ARG 46 0.047 10.285 -19.035 355 HH12 ARG 46 2HH1 ARG 46 0.522 9.231 -20.348 356 HH21 ARG 46 1HH2 ARG 46 -2.311 9.920 -22.286 357 HH22 ARG 46 2HH2 ARG 46 -0.812 9.024 -22.189 358 H LEU 47 H LEU 47 -6.417 11.901 -19.681 359 HA LEU 47 HA LEU 47 -8.656 10.321 -18.557 360 HB2 LEU 47 1HB LEU 47 -9.082 12.652 -19.226 361 HB3 LEU 47 2HB LEU 47 -8.545 12.291 -20.869 362 HG LEU 47 HG LEU 47 -10.464 10.701 -21.101 363 HD11 LEU 47 1HD1 LEU 47 -12.260 10.798 -19.429 364 HD12 LEU 47 2HD1 LEU 47 -10.747 10.171 -18.734 365 HD13 LEU 47 3HD1 LEU 47 -11.250 11.846 -18.406 366 HD21 LEU 47 1HD2 LEU 47 -12.168 12.482 -21.289 367 HD22 LEU 47 2HD2 LEU 47 -11.157 13.555 -20.291 368 HD23 LEU 47 3HD2 LEU 47 -10.590 13.038 -21.897 369 H VAL 48 H VAL 48 -8.996 8.323 -19.192 370 HA VAL 48 HA VAL 48 -7.728 7.281 -21.609 371 HB VAL 48 HB VAL 48 -9.648 6.002 -19.617 372 HG11 VAL 48 1HG1 VAL 48 -8.966 3.868 -20.602 373 HG12 VAL 48 2HG1 VAL 48 -9.801 4.909 -21.779 374 HG13 VAL 48 3HG1 VAL 48 -8.030 4.739 -21.839 375 HG21 VAL 48 1HG2 VAL 48 -7.603 4.880 -18.792 376 HG22 VAL 48 2HG2 VAL 48 -6.630 5.789 -19.973 377 HG23 VAL 48 3HG2 VAL 48 -7.465 6.649 -18.658 378 H TYR 49 H TYR 49 -8.621 6.877 -23.543 379 HA TYR 49 HA TYR 49 -11.542 7.277 -23.873 380 HB2 TYR 49 1HB TYR 49 -11.274 8.943 -25.601 381 HB3 TYR 49 2HB TYR 49 -10.436 9.509 -24.163 382 HD1 TYR 49 HD1 TYR 49 -10.113 8.495 -27.632 383 HD2 TYR 49 HD2 TYR 49 -7.952 9.424 -24.044 384 HE1 TYR 49 HE1 TYR 49 -8.048 8.802 -28.955 385 HE2 TYR 49 HE2 TYR 49 -5.887 9.730 -25.366 386 HH TYR 49 HH TYR 49 -4.982 9.736 -27.390 387 H ASP 50 H ASP 50 -12.331 6.677 -26.005 388 HA ASP 50 HA ASP 50 -10.934 4.321 -27.028 389 HB2 ASP 50 1HB ASP 50 -13.416 4.400 -26.830 390 HB3 ASP 50 2HB ASP 50 -13.466 5.699 -28.015 391 H ARG 51 H ARG 51 -9.337 4.421 -28.425 392 HA ARG 51 HA ARG 51 -8.644 6.872 -29.753 393 HB2 ARG 51 1HB ARG 51 -7.634 4.030 -30.084 394 HB3 ARG 51 2HB ARG 51 -6.946 5.407 -30.932 395 HG2 ARG 51 1HG ARG 51 -6.313 6.435 -28.806 396 HG3 ARG 51 2HG ARG 51 -7.052 5.077 -27.922 397 HD2 ARG 51 1HD ARG 51 -5.505 3.544 -29.021 398 HD3 ARG 51 2HD ARG 51 -4.748 4.922 -29.852 399 HE ARG 51 HE ARG 51 -4.714 5.506 -27.120 400 HH11 ARG 51 1HH1 ARG 51 -3.374 3.088 -29.288 401 HH12 ARG 51 2HH1 ARG 51 -1.952 2.814 -28.306 402 HH21 ARG 51 1HH2 ARG 51 -2.864 5.142 -25.854 403 HH22 ARG 51 2HH2 ARG 51 -1.663 3.976 -26.362 404 H GLU 52 H GLU 52 -10.700 4.228 -30.588 405 HA GLU 52 HA GLU 52 -10.484 4.513 -33.464 406 HB2 GLU 52 1HB GLU 52 -11.247 2.414 -32.382 407 HB3 GLU 52 2HB GLU 52 -12.667 3.243 -31.761 408 HG2 GLU 52 1HG GLU 52 -13.289 1.962 -33.682 409 HG3 GLU 52 2HG GLU 52 -13.411 3.674 -34.081 410 H THR 53 H THR 53 -12.678 5.761 -30.965 411 HA THR 53 HA THR 53 -14.111 7.284 -33.094 412 HB THR 53 HB THR 53 -15.976 7.481 -31.493 413 HG1 THR 53 HG1 THR 53 -14.851 5.651 -29.719 414 HG21 THR 53 1HG2 THR 53 -16.628 5.107 -31.401 415 HG22 THR 53 2HG2 THR 53 -15.890 5.503 -32.971 416 HG23 THR 53 3HG2 THR 53 -14.949 4.628 -31.741 417 H GLY 54 H GLY 54 -12.242 7.539 -30.154 418 HA2 GLY 54 1HA GLY 54 -11.008 9.500 -29.570 419 HA3 GLY 54 2HA GLY 54 -12.084 10.472 -30.557 420 H LYS 55 H LYS 55 -14.048 8.394 -28.897 421 HA LYS 55 HA LYS 55 -14.851 10.548 -27.060 422 HB2 LYS 55 1HB LYS 55 -16.547 9.313 -28.402 423 HB3 LYS 55 2HB LYS 55 -16.103 7.822 -27.584 424 HG2 LYS 55 1HG LYS 55 -16.857 8.751 -25.438 425 HG3 LYS 55 2HG LYS 55 -17.271 10.275 -26.237 426 HD2 LYS 55 1HD LYS 55 -18.910 9.105 -27.656 427 HD3 LYS 55 2HD LYS 55 -18.476 7.563 -26.903 428 HE2 LYS 55 1HE LYS 55 -19.214 8.441 -24.703 429 HE3 LYS 55 2HE LYS 55 -19.670 9.965 -25.470 430 HZ1 LYS 55 1HZ LYS 55 -21.546 8.517 -25.201 431 HZ2 LYS 55 2HZ LYS 55 -21.252 8.752 -26.807 432 HZ3 LYS 55 3HZ LYS 55 -20.826 7.329 -26.089 433 HA PRO 56 HA PRO 56 -12.555 8.936 -23.664 434 HB2 PRO 56 1HB PRO 56 -14.643 10.586 -22.198 435 HB3 PRO 56 2HB PRO 56 -12.890 10.557 -21.972 436 HG2 PRO 56 1HG PRO 56 -13.952 12.596 -23.309 437 HG3 PRO 56 2HG PRO 56 -12.474 11.852 -23.927 438 HD2 PRO 56 1HD PRO 56 -15.353 11.437 -24.833 439 HD3 PRO 56 2HD PRO 56 -13.863 11.651 -25.837 440 H LYS 57 H LYS 57 -12.897 7.330 -22.113 441 HA LYS 57 HA LYS 57 -15.388 5.819 -22.550 442 HB2 LYS 57 1HB LYS 57 -12.804 5.119 -21.101 443 HB3 LYS 57 2HB LYS 57 -14.172 4.027 -21.262 444 HG2 LYS 57 1HG LYS 57 -13.935 4.112 -23.730 445 HG3 LYS 57 2HG LYS 57 -12.528 5.168 -23.540 446 HD2 LYS 57 1HD LYS 57 -11.376 3.407 -22.241 447 HD3 LYS 57 2HD LYS 57 -12.786 2.351 -22.421 448 HE2 LYS 57 1HE LYS 57 -12.508 2.412 -24.884 449 HE3 LYS 57 2HE LYS 57 -11.090 3.447 -24.695 450 HZ1 LYS 57 1HZ LYS 57 -10.481 1.157 -24.972 451 HZ2 LYS 57 2HZ LYS 57 -10.032 1.674 -23.471 452 HZ3 LYS 57 3HZ LYS 57 -11.357 0.708 -23.649 453 H GLY 58 H GLY 58 -14.364 8.147 -20.408 454 HA2 GLY 58 1HA GLY 58 -15.539 8.902 -18.492 455 HA3 GLY 58 2HA GLY 58 -16.395 7.373 -18.411 456 H TYR 59 H TYR 59 -13.007 7.087 -18.907 457 HA TYR 59 HA TYR 59 -12.522 6.786 -15.979 458 HB2 TYR 59 1HB TYR 59 -11.587 4.861 -18.148 459 HB3 TYR 59 2HB TYR 59 -11.161 4.769 -16.444 460 HD1 TYR 59 HD1 TYR 59 -13.770 4.203 -18.942 461 HD2 TYR 59 HD2 TYR 59 -12.807 4.098 -14.762 462 HE1 TYR 59 HE1 TYR 59 -15.774 2.821 -18.515 463 HE2 TYR 59 HE2 TYR 59 -14.811 2.716 -14.335 464 HH TYR 59 HH TYR 59 -17.003 1.787 -16.979 465 H GLY 60 H GLY 60 -10.373 7.061 -15.282 466 HA2 GLY 60 1HA GLY 60 -8.226 7.706 -17.097 467 HA3 GLY 60 2HA GLY 60 -8.935 9.177 -16.457 468 H PHE 61 H PHE 61 -6.507 9.099 -15.722 469 HA PHE 61 HA PHE 61 -6.505 7.975 -12.952 470 HB2 PHE 61 1HB PHE 61 -4.200 8.169 -14.927 471 HB3 PHE 61 2HB PHE 61 -3.983 7.842 -13.215 472 HD1 PHE 61 HD1 PHE 61 -5.353 6.532 -16.376 473 HD2 PHE 61 HD2 PHE 61 -4.471 5.697 -12.280 474 HE1 PHE 61 HE1 PHE 61 -5.704 4.121 -16.794 475 HE2 PHE 61 HE2 PHE 61 -4.818 3.285 -12.694 476 HZ PHE 61 HZ PHE 61 -5.437 2.497 -14.952 477 H CYS 62 H CYS 62 -5.825 9.266 -11.320 478 HA CYS 62 HA CYS 62 -5.161 12.078 -12.086 479 HB2 CYS 62 1HB CYS 62 -7.371 11.794 -10.951 480 HB3 CYS 62 2HB CYS 62 -6.549 11.093 -9.564 481 HG CYS 62 HG CYS 62 -4.918 13.300 -9.400 482 H GLU 63 H GLU 63 -3.083 12.484 -11.801 483 HA GLU 63 HA GLU 63 -1.562 10.947 -9.791 484 HB2 GLU 63 1HB GLU 63 -0.635 11.228 -12.073 485 HB3 GLU 63 2HB GLU 63 -0.647 12.974 -11.873 486 HG2 GLU 63 1HG GLU 63 0.973 12.781 -10.032 487 HG3 GLU 63 2HG GLU 63 0.981 11.029 -10.223 488 H TYR 64 H TYR 64 -1.121 11.651 -7.838 489 HA TYR 64 HA TYR 64 -1.429 14.568 -7.295 490 HB2 TYR 64 1HB TYR 64 -1.561 12.148 -5.455 491 HB3 TYR 64 2HB TYR 64 -1.548 13.808 -4.876 492 HD1 TYR 64 HD1 TYR 64 -3.456 11.344 -6.883 493 HD2 TYR 64 HD2 TYR 64 -3.497 15.155 -4.913 494 HE1 TYR 64 HE1 TYR 64 -5.910 11.457 -7.153 495 HE2 TYR 64 HE2 TYR 64 -5.951 15.269 -5.183 496 HH TYR 64 HH TYR 64 -7.718 14.357 -6.350 497 H GLN 65 H GLN 65 0.032 15.566 -5.765 498 HA GLN 65 HA GLN 65 2.711 15.246 -6.663 499 HB2 GLN 65 1HB GLN 65 1.545 16.717 -4.271 500 HB3 GLN 65 2HB GLN 65 3.247 16.794 -4.704 501 HG2 GLN 65 1HG GLN 65 2.657 17.735 -6.894 502 HG3 GLN 65 2HG GLN 65 0.930 17.667 -6.443 503 HE21 GLN 65 1HE2 GLN 65 2.270 21.106 -5.851 504 HE22 GLN 65 2HE2 GLN 65 2.198 20.043 -7.217 505 H ASP 66 H ASP 66 1.085 14.170 -3.690 506 HA ASP 66 HA ASP 66 3.528 12.562 -3.075 507 HB2 ASP 66 1HB ASP 66 1.357 13.624 -1.225 508 HB3 ASP 66 2HB ASP 66 2.601 12.487 -0.725 509 H GLN 67 H GLN 67 3.327 10.412 -2.489 510 HA GLN 67 HA GLN 67 1.174 8.989 -3.769 511 HB2 GLN 67 1HB GLN 67 3.386 8.084 -1.887 512 HB3 GLN 67 2HB GLN 67 2.242 6.978 -2.633 513 HG2 GLN 67 1HG GLN 67 3.016 7.613 -4.852 514 HG3 GLN 67 2HG GLN 67 4.135 8.803 -4.130 515 HE21 GLN 67 1HE2 GLN 67 6.167 5.852 -4.895 516 HE22 GLN 67 2HE2 GLN 67 5.307 7.085 -5.755 517 H GLU 68 H GLU 68 1.920 9.827 -0.407 518 HA GLU 68 HA GLU 68 -0.236 8.323 0.750 519 HB2 GLU 68 1HB GLU 68 1.311 10.756 1.716 520 HB3 GLU 68 2HB GLU 68 0.086 9.952 2.687 521 HG2 GLU 68 1HG GLU 68 2.608 8.660 1.624 522 HG3 GLU 68 2HG GLU 68 2.369 9.261 3.263 523 H THR 69 H THR 69 0.019 11.586 -0.594 524 HA THR 69 HA THR 69 -2.618 12.444 0.115 525 HB THR 69 HB THR 69 -0.849 13.220 -2.244 526 HG1 THR 69 HG1 THR 69 -0.490 13.668 0.252 527 HG21 THR 69 1HG2 THR 69 -2.299 15.205 -2.415 528 HG22 THR 69 2HG2 THR 69 -3.227 13.713 -2.697 529 HG23 THR 69 3HG2 THR 69 -3.348 14.554 -1.134 530 H ALA 70 H ALA 70 -1.341 10.750 -2.751 531 HA ALA 70 HA ALA 70 -3.822 10.566 -4.132 532 HB1 ALA 70 1HB ALA 70 -2.759 8.702 -5.363 533 HB2 ALA 70 2HB ALA 70 -1.667 10.099 -5.209 534 HB3 ALA 70 3HB ALA 70 -1.442 8.675 -4.168 535 H LEU 71 H LEU 71 -2.300 8.443 -1.721 536 HA LEU 71 HA LEU 71 -4.221 6.362 -1.789 537 HB2 LEU 71 1HB LEU 71 -2.110 6.130 -0.605 538 HB3 LEU 71 2HB LEU 71 -2.542 7.435 0.504 539 HG LEU 71 HG LEU 71 -4.383 6.020 1.409 540 HD11 LEU 71 1HD1 LEU 71 -4.441 3.639 0.813 541 HD12 LEU 71 2HD1 LEU 71 -4.792 4.677 -0.589 542 HD13 LEU 71 3HD1 LEU 71 -3.191 3.917 -0.421 543 HD21 LEU 71 1HD2 LEU 71 -2.889 4.458 2.608 544 HD22 LEU 71 2HD2 LEU 71 -1.615 4.747 1.399 545 HD23 LEU 71 3HD2 LEU 71 -2.147 6.069 2.464 546 H SER 72 H SER 72 -4.071 9.259 0.310 547 HA SER 72 HA SER 72 -6.569 8.753 1.611 548 HB2 SER 72 1HB SER 72 -5.028 11.328 1.154 549 HB3 SER 72 2HB SER 72 -6.441 11.198 2.190 550 HG SER 72 HG SER 72 -3.888 10.179 2.491 551 H ALA 73 H ALA 73 -5.691 10.601 -1.294 552 HA ALA 73 HA ALA 73 -8.225 11.771 -1.772 553 HB1 ALA 73 1HB ALA 73 -7.476 11.956 -4.122 554 HB2 ALA 73 2HB ALA 73 -6.197 12.439 -2.983 555 HB3 ALA 73 3HB ALA 73 -6.131 10.846 -3.772 556 H MET 74 H MET 74 -6.897 8.637 -2.835 557 HA MET 74 HA MET 74 -9.122 7.724 -4.298 558 HB2 MET 74 1HB MET 74 -6.998 6.510 -4.231 559 HB3 MET 74 2HB MET 74 -7.200 6.178 -2.517 560 HG2 MET 74 1HG MET 74 -9.273 4.865 -3.096 561 HG3 MET 74 2HG MET 74 -8.860 5.079 -4.798 562 HE1 MET 74 1HE MET 74 -6.469 2.599 -1.721 563 HE2 MET 74 2HE MET 74 -6.678 4.359 -1.549 564 HE3 MET 74 3HE MET 74 -8.092 3.281 -1.456 565 H ARG 75 H ARG 75 -8.493 7.483 -0.794 566 HA ARG 75 HA ARG 75 -10.899 5.966 -0.296 567 HB2 ARG 75 1HB ARG 75 -9.081 7.531 1.566 568 HB3 ARG 75 2HB ARG 75 -10.411 6.518 2.108 569 HG2 ARG 75 1HG ARG 75 -9.325 4.544 1.135 570 HG3 ARG 75 2HG ARG 75 -7.981 5.566 0.570 571 HD2 ARG 75 1HD ARG 75 -8.828 5.281 3.442 572 HD3 ARG 75 2HD ARG 75 -7.520 4.358 2.667 573 HE ARG 75 HE ARG 75 -6.948 7.022 2.164 574 HH11 ARG 75 1HH1 ARG 75 -7.411 5.011 5.007 575 HH12 ARG 75 2HH1 ARG 75 -6.324 5.952 6.004 576 HH21 ARG 75 1HH2 ARG 75 -5.539 8.235 3.468 577 HH22 ARG 75 2HH2 ARG 75 -5.264 7.777 5.133 578 H ASN 76 H ASN 76 -10.137 9.361 -0.525 579 HA ASN 76 HA ASN 76 -12.576 10.194 0.880 580 HB2 ASN 76 1HB ASN 76 -10.404 11.697 -0.603 581 HB3 ASN 76 2HB ASN 76 -11.835 12.490 0.043 582 HD21 ASN 76 1HD2 ASN 76 -8.993 12.609 2.479 583 HD22 ASN 76 2HD2 ASN 76 -9.153 13.011 0.802 584 H LEU 77 H LEU 77 -11.457 9.801 -2.437 585 HA LEU 77 HA LEU 77 -13.814 11.141 -3.537 586 HB2 LEU 77 1HB LEU 77 -11.560 9.551 -4.806 587 HB3 LEU 77 2HB LEU 77 -12.871 10.297 -5.725 588 HG LEU 77 HG LEU 77 -10.874 11.805 -4.001 589 HD11 LEU 77 1HD1 LEU 77 -9.933 12.534 -6.148 590 HD12 LEU 77 2HD1 LEU 77 -9.821 10.770 -5.945 591 HD13 LEU 77 3HD1 LEU 77 -11.068 11.466 -7.007 592 HD21 LEU 77 1HD2 LEU 77 -11.850 13.784 -5.116 593 HD22 LEU 77 2HD2 LEU 77 -13.013 12.734 -5.962 594 HD23 LEU 77 3HD2 LEU 77 -13.085 12.896 -4.191 595 H ASN 78 H ASN 78 -12.671 7.825 -3.044 596 HA ASN 78 HA ASN 78 -14.733 6.579 -4.613 597 HB2 ASN 78 1HB ASN 78 -12.595 5.476 -3.991 598 HB3 ASN 78 2HB ASN 78 -13.114 5.439 -2.311 599 HD21 ASN 78 1HD2 ASN 78 -13.980 2.367 -4.542 600 HD22 ASN 78 2HD2 ASN 78 -12.657 3.470 -4.721 601 H GLY 79 H GLY 79 -16.805 6.773 -4.257 602 HA2 GLY 79 1HA GLY 79 -18.687 5.971 -2.898 603 HA3 GLY 79 2HA GLY 79 -17.785 6.397 -1.455 604 H ARG 80 H ARG 80 -16.984 8.870 -3.334 605 HA ARG 80 HA ARG 80 -18.932 10.665 -2.130 606 HB2 ARG 80 1HB ARG 80 -16.569 11.314 -2.423 607 HB3 ARG 80 2HB ARG 80 -16.741 11.194 -4.168 608 HG2 ARG 80 1HG ARG 80 -18.326 13.044 -4.177 609 HG3 ARG 80 2HG ARG 80 -18.247 13.139 -2.401 610 HD2 ARG 80 1HD ARG 80 -15.914 13.699 -2.503 611 HD3 ARG 80 2HD ARG 80 -15.919 13.507 -4.271 612 HE ARG 80 HE ARG 80 -17.905 15.383 -3.578 613 HH11 ARG 80 1HH1 ARG 80 -14.408 15.051 -3.542 614 HH12 ARG 80 2HH1 ARG 80 -14.118 16.767 -3.726 615 HH21 ARG 80 1HH2 ARG 80 -17.516 17.607 -3.817 616 HH22 ARG 80 2HH2 ARG 80 -15.877 18.214 -3.882 617 H GLU 81 H GLU 81 -20.554 11.814 -3.075 618 HA GLU 81 HA GLU 81 -21.716 10.809 -5.516 619 HB2 GLU 81 1HB GLU 81 -23.055 11.811 -3.674 620 HB3 GLU 81 2HB GLU 81 -22.307 13.372 -3.980 621 HG2 GLU 81 1HG GLU 81 -23.292 13.420 -6.227 622 HG3 GLU 81 2HG GLU 81 -24.023 11.841 -5.946 623 H PHE 82 H PHE 82 -21.309 11.298 -7.543 624 HA PHE 82 HA PHE 82 -19.964 13.907 -8.109 625 HB2 PHE 82 1HB PHE 82 -18.454 11.876 -8.346 626 HB3 PHE 82 2HB PHE 82 -19.508 11.316 -9.634 627 HD1 PHE 82 HD1 PHE 82 -16.550 12.972 -8.988 628 HD2 PHE 82 HD2 PHE 82 -20.028 13.270 -11.450 629 HE1 PHE 82 HE1 PHE 82 -15.280 14.334 -10.614 630 HE2 PHE 82 HE2 PHE 82 -18.761 14.630 -13.080 631 HZ PHE 82 HZ PHE 82 -16.386 15.163 -12.661 632 H SER 83 H SER 83 -21.771 15.018 -8.713 633 HA SER 83 HA SER 83 -23.544 15.672 -10.027 634 HB2 SER 83 1HB SER 83 -22.260 13.804 -12.048 635 HB3 SER 83 2HB SER 83 -23.504 14.990 -12.409 636 HG SER 83 HG SER 83 -22.152 16.593 -11.960 637 H GLY 84 H GLY 84 -23.995 13.560 -8.206 638 HA2 GLY 84 1HA GLY 84 -25.958 12.392 -7.679 639 HA3 GLY 84 2HA GLY 84 -26.529 12.627 -9.320 640 H ARG 85 H ARG 85 -23.334 11.321 -8.717 641 HA ARG 85 HA ARG 85 -24.319 8.561 -9.227 642 HB2 ARG 85 1HB ARG 85 -22.116 9.954 -10.786 643 HB3 ARG 85 2HB ARG 85 -22.453 8.231 -10.860 644 HG2 ARG 85 1HG ARG 85 -24.470 10.362 -11.598 645 HG3 ARG 85 2HG ARG 85 -23.376 9.564 -12.754 646 HD2 ARG 85 1HD ARG 85 -24.319 7.397 -12.082 647 HD3 ARG 85 2HD ARG 85 -25.471 8.258 -11.036 648 HE ARG 85 HE ARG 85 -25.493 8.087 -13.953 649 HH11 ARG 85 1HH1 ARG 85 -26.741 9.677 -11.079 650 HH12 ARG 85 2HH1 ARG 85 -28.177 10.273 -11.880 651 HH21 ARG 85 1HH2 ARG 85 -27.362 8.866 -14.981 652 HH22 ARG 85 2HH2 ARG 85 -28.530 9.815 -14.088 653 H ALA 86 H ALA 86 -23.073 6.925 -8.381 654 HA ALA 86 HA ALA 86 -21.319 7.622 -6.203 655 HB1 ALA 86 1HB ALA 86 -20.965 5.181 -6.015 656 HB2 ALA 86 2HB ALA 86 -22.692 5.588 -6.158 657 HB3 ALA 86 3HB ALA 86 -21.809 4.948 -7.563 658 H LEU 87 H LEU 87 -19.352 8.382 -6.404 659 HA LEU 87 HA LEU 87 -17.821 7.973 -8.849 660 HB2 LEU 87 1HB LEU 87 -17.771 10.107 -7.597 661 HB3 LEU 87 2HB LEU 87 -17.049 9.278 -6.214 662 HG LEU 87 HG LEU 87 -15.053 8.750 -7.626 663 HD11 LEU 87 1HD1 LEU 87 -14.795 9.928 -9.764 664 HD12 LEU 87 2HD1 LEU 87 -16.161 8.789 -9.802 665 HD13 LEU 87 3HD1 LEU 87 -16.462 10.535 -9.631 666 HD21 LEU 87 1HD2 LEU 87 -14.182 11.063 -7.610 667 HD22 LEU 87 2HD2 LEU 87 -15.842 11.687 -7.447 668 HD23 LEU 87 3HD2 LEU 87 -15.121 10.722 -6.137 669 H ARG 88 H ARG 88 -16.634 6.265 -9.281 670 HA ARG 88 HA ARG 88 -15.588 4.648 -7.012 671 HB2 ARG 88 1HB ARG 88 -16.892 3.391 -8.631 672 HB3 ARG 88 2HB ARG 88 -15.928 4.013 -9.961 673 HG2 ARG 88 1HG ARG 88 -13.963 2.806 -9.125 674 HG3 ARG 88 2HG ARG 88 -14.925 2.189 -7.760 675 HD2 ARG 88 1HD ARG 88 -16.348 0.981 -9.223 676 HD3 ARG 88 2HD ARG 88 -15.608 1.737 -10.653 677 HE ARG 88 HE ARG 88 -13.522 0.506 -9.315 678 HH11 ARG 88 1HH1 ARG 88 -16.583 -0.503 -10.714 679 HH12 ARG 88 2HH1 ARG 88 -16.016 -2.111 -11.107 680 HH21 ARG 88 1HH2 ARG 88 -12.798 -1.584 -9.830 681 HH22 ARG 88 2HH2 ARG 88 -13.874 -2.723 -10.607 682 H VAL 89 H VAL 89 -13.572 4.973 -6.405 683 HA VAL 89 HA VAL 89 -11.551 5.469 -8.548 684 HB VAL 89 HB VAL 89 -11.543 6.629 -5.728 685 HG11 VAL 89 1HG1 VAL 89 -9.551 7.847 -6.461 686 HG12 VAL 89 2HG1 VAL 89 -9.305 6.085 -6.497 687 HG13 VAL 89 3HG1 VAL 89 -9.590 6.975 -8.012 688 HG21 VAL 89 1HG2 VAL 89 -11.803 8.798 -6.889 689 HG22 VAL 89 2HG2 VAL 89 -11.914 7.949 -8.449 690 HG23 VAL 89 3HG2 VAL 89 -13.181 7.723 -7.219 691 H ASP 90 H ASP 90 -10.030 3.972 -8.666 692 HA ASP 90 HA ASP 90 -9.758 2.119 -6.336 693 HB2 ASP 90 1HB ASP 90 -9.476 1.573 -9.318 694 HB3 ASP 90 2HB ASP 90 -9.067 0.414 -8.061 695 H ASN 91 H ASN 91 -7.661 0.995 -6.177 696 HA ASN 91 HA ASN 91 -5.485 2.916 -6.330 697 HB2 ASN 91 1HB ASN 91 -5.776 1.204 -4.505 698 HB3 ASN 91 2HB ASN 91 -5.353 -0.043 -5.672 699 HD21 ASN 91 1HD2 ASN 91 -2.338 0.982 -3.748 700 HD22 ASN 91 2HD2 ASN 91 -3.920 0.412 -3.331 701 H ALA 92 H ALA 92 -4.186 3.316 -7.942 702 HA ALA 92 HA ALA 92 -4.548 1.863 -10.417 703 HB1 ALA 92 1HB ALA 92 -2.892 3.463 -11.321 704 HB2 ALA 92 2HB ALA 92 -4.171 4.288 -10.399 705 HB3 ALA 92 3HB ALA 92 -2.566 4.045 -9.672 706 H ALA 93 H ALA 93 -2.629 1.314 -7.713 707 HA ALA 93 HA ALA 93 -0.313 0.200 -9.025 708 HB1 ALA 93 1HB ALA 93 0.157 -0.813 -6.818 709 HB2 ALA 93 2HB ALA 93 -0.248 0.914 -6.678 710 HB3 ALA 93 3HB ALA 93 -1.457 -0.321 -6.257 711 H SER 94 H SER 94 -3.536 -0.878 -8.599 712 HA SER 94 HA SER 94 -3.133 -3.699 -8.702 713 HB2 SER 94 1HB SER 94 -5.303 -2.737 -8.187 714 HB3 SER 94 2HB SER 94 -5.381 -1.957 -9.759 715 HG SER 94 HG SER 94 -6.323 -4.216 -9.196 716 H GLU 95 H GLU 95 -2.977 -5.154 -10.362 717 HA GLU 95 HA GLU 95 -1.340 -4.283 -12.522 718 HB2 GLU 95 1HB GLU 95 -2.838 -6.889 -12.050 719 HB3 GLU 95 2HB GLU 95 -1.733 -6.643 -13.395 720 HG2 GLU 95 1HG GLU 95 -0.987 -6.417 -10.471 721 HG3 GLU 95 2HG GLU 95 -0.720 -7.832 -11.486 722 H LYS 96 H LYS 96 -4.805 -4.893 -12.275 723 HA LYS 96 HA LYS 96 -5.357 -4.840 -15.086 724 HB2 LYS 96 1HB LYS 96 -7.080 -4.216 -12.660 725 HB3 LYS 96 2HB LYS 96 -7.704 -4.227 -14.304 726 HG2 LYS 96 1HG LYS 96 -7.080 -6.600 -14.535 727 HG3 LYS 96 2HG LYS 96 -6.439 -6.591 -12.886 728 HD2 LYS 96 1HD LYS 96 -8.680 -5.997 -12.018 729 HD3 LYS 96 2HD LYS 96 -9.321 -6.009 -13.668 730 HE2 LYS 96 1HE LYS 96 -8.739 -8.393 -13.891 731 HE3 LYS 96 2HE LYS 96 -8.056 -8.392 -12.263 732 HZ1 LYS 96 1HZ LYS 96 -10.281 -9.251 -12.285 733 HZ2 LYS 96 2HZ LYS 96 -10.234 -7.852 -11.413 734 HZ3 LYS 96 3HZ LYS 96 -10.873 -7.854 -12.933 735 H ASN 97 H ASN 97 -4.772 -2.338 -12.723 736 HA ASN 97 HA ASN 97 -5.707 -0.245 -14.597 737 HB2 ASN 97 1HB ASN 97 -4.628 -0.122 -11.764 738 HB3 ASN 97 2HB ASN 97 -5.049 1.297 -12.713 739 HD21 ASN 97 1HD2 ASN 97 -7.877 0.107 -10.508 740 HD22 ASN 97 2HD2 ASN 97 -6.187 0.342 -10.215 741 H LYS 98 H LYS 98 -2.752 -1.669 -13.367 742 HA LYS 98 HA LYS 98 -0.946 0.333 -14.311 743 HB2 LYS 98 1HB LYS 98 -0.651 -2.644 -13.804 744 HB3 LYS 98 2HB LYS 98 0.688 -1.663 -14.385 745 HG2 LYS 98 1HG LYS 98 0.682 -0.324 -12.391 746 HG3 LYS 98 2HG LYS 98 -0.834 -1.049 -11.840 747 HD2 LYS 98 1HD LYS 98 1.044 -2.046 -10.643 748 HD3 LYS 98 2HD LYS 98 0.291 -3.258 -11.690 749 HE2 LYS 98 1HE LYS 98 2.043 -2.942 -13.372 750 HE3 LYS 98 2HE LYS 98 2.769 -1.652 -12.412 751 HZ1 LYS 98 1HZ LYS 98 3.903 -3.727 -12.102 752 HZ2 LYS 98 2HZ LYS 98 3.201 -3.260 -10.684 753 HZ3 LYS 98 3HZ LYS 98 2.524 -4.466 -11.582 754 H GLU 99 H GLU 99 -2.488 -2.432 -15.890 755 HA GLU 99 HA GLU 99 -1.013 -2.305 -18.331 756 HB2 GLU 99 1HB GLU 99 -3.821 -3.279 -17.691 757 HB3 GLU 99 2HB GLU 99 -3.106 -3.421 -19.291 758 HG2 GLU 99 1HG GLU 99 -1.976 -4.635 -16.759 759 HG3 GLU 99 2HG GLU 99 -2.938 -5.486 -17.966 760 H GLU 100 H GLU 100 -3.854 -0.553 -17.161 761 HA GLU 100 HA GLU 100 -4.367 0.812 -19.651 762 HB2 GLU 100 1HB GLU 100 -5.088 1.477 -16.770 763 HB3 GLU 100 2HB GLU 100 -5.632 2.423 -18.148 764 HG2 GLU 100 1HG GLU 100 -6.224 -0.513 -17.716 765 HG3 GLU 100 2HG GLU 100 -7.313 0.816 -17.323 766 H LEU 101 H LEU 101 -2.433 1.560 -16.764 767 HA LEU 101 HA LEU 101 -1.612 4.167 -17.563 768 HB2 LEU 101 1HB LEU 101 -0.292 2.048 -15.843 769 HB3 LEU 101 2HB LEU 101 0.402 3.655 -16.081 770 HG LEU 101 HG LEU 101 -2.338 3.132 -14.875 771 HD11 LEU 101 1HD1 LEU 101 -1.260 3.674 -12.737 772 HD12 LEU 101 2HD1 LEU 101 -0.560 2.214 -13.475 773 HD13 LEU 101 3HD1 LEU 101 0.318 3.760 -13.554 774 HD21 LEU 101 1HD2 LEU 101 -2.150 5.504 -14.206 775 HD22 LEU 101 2HD2 LEU 101 -0.584 5.617 -15.044 776 HD23 LEU 101 3HD2 LEU 101 -2.073 5.330 -15.976 777 H LYS 102 H LYS 102 -0.347 0.942 -18.312 778 HA LYS 102 HA LYS 102 2.020 1.738 -19.652 779 HB2 LYS 102 1HB LYS 102 0.172 -0.640 -20.050 780 HB3 LYS 102 2HB LYS 102 1.670 -0.444 -20.950 781 HG2 LYS 102 1HG LYS 102 2.957 -0.472 -18.861 782 HG3 LYS 102 2HG LYS 102 1.460 -0.610 -17.929 783 HD2 LYS 102 1HD LYS 102 0.955 -2.750 -19.110 784 HD3 LYS 102 2HD LYS 102 2.502 -2.619 -19.960 785 HE2 LYS 102 1HE LYS 102 3.704 -2.677 -17.810 786 HE3 LYS 102 2HE LYS 102 2.170 -2.763 -16.940 787 HZ1 LYS 102 1HZ LYS 102 3.160 -4.917 -17.198 788 HZ2 LYS 102 2HZ LYS 102 1.737 -4.857 -18.029 789 HZ3 LYS 102 3HZ LYS 102 3.170 -4.777 -18.841 790 H SER 103 H SER 103 -1.307 1.363 -20.864 791 HA SER 103 HA SER 103 -0.630 1.988 -23.591 792 HB2 SER 103 1HB SER 103 -2.993 2.096 -23.964 793 HB3 SER 103 2HB SER 103 -2.699 0.786 -22.832 794 HG SER 103 HG SER 103 -2.992 2.659 -21.250 795 H LEU 104 H LEU 104 -1.200 3.902 -20.750 796 HA LEU 104 HA LEU 104 -1.625 6.372 -22.281 797 HB2 LEU 104 1HB LEU 104 -1.230 5.837 -19.318 798 HB3 LEU 104 2HB LEU 104 -1.519 7.438 -20.006 799 HG LEU 104 HG LEU 104 -3.454 5.101 -20.189 800 HD11 LEU 104 1HD1 LEU 104 -4.748 6.338 -18.509 801 HD12 LEU 104 2HD1 LEU 104 -3.154 5.853 -17.885 802 HD13 LEU 104 3HD1 LEU 104 -3.440 7.537 -18.384 803 HD21 LEU 104 1HD2 LEU 104 -5.023 6.853 -20.951 804 HD22 LEU 104 2HD2 LEU 104 -3.718 8.061 -20.860 805 HD23 LEU 104 3HD2 LEU 104 -3.620 6.732 -22.040 806 H GLY 105 H GLY 105 1.011 4.473 -21.437 807 HA2 GLY 105 1HA GLY 105 3.285 4.890 -21.833 808 HA3 GLY 105 2HA GLY 105 2.906 6.560 -22.212 809 H THR 106 H THR 106 1.729 5.101 -19.252 810 HA THR 106 HA THR 106 3.566 6.893 -17.730 811 HB THR 106 HB THR 106 0.860 5.731 -16.942 812 HG1 THR 106 HG1 THR 106 0.152 7.509 -17.823 813 HG21 THR 106 1HG2 THR 106 1.078 7.161 -14.947 814 HG22 THR 106 2HG2 THR 106 2.382 5.952 -15.008 815 HG23 THR 106 3HG2 THR 106 2.711 7.640 -15.463 Start of MODEL 2 1 H MET 1 1H MET 1 5.939 10.918 5.930 2 HA MET 1 HA MET 1 6.934 9.025 6.946 3 HB2 MET 1 1HB MET 1 4.712 8.846 5.859 4 HB3 MET 1 2HB MET 1 5.485 8.457 4.329 5 HG2 MET 1 1HG MET 1 6.420 6.398 5.336 6 HG3 MET 1 2HG MET 1 5.608 6.785 6.856 7 HE1 MET 1 1HE MET 1 1.837 6.450 5.959 8 HE2 MET 1 2HE MET 1 3.036 6.671 7.257 9 HE3 MET 1 3HE MET 1 2.822 7.931 6.017 10 H ALA 2 H ALA 2 8.951 8.365 7.075 11 HA ALA 2 HA ALA 2 10.711 8.151 4.830 12 HB1 ALA 2 1HB ALA 2 12.233 7.010 6.411 13 HB2 ALA 2 2HB ALA 2 11.533 8.485 7.118 14 HB3 ALA 2 3HB ALA 2 10.905 6.889 7.589 15 H GLY 3 H GLY 3 10.986 6.646 3.357 16 HA2 GLY 3 1HA GLY 3 11.273 4.379 2.643 17 HA3 GLY 3 2HA GLY 3 10.302 3.829 3.995 18 H LEU 4 H LEU 4 8.644 6.423 2.895 19 HA LEU 4 HA LEU 4 6.587 4.830 1.662 20 HB2 LEU 4 1HB LEU 4 6.106 6.883 2.935 21 HB3 LEU 4 2HB LEU 4 6.982 7.844 1.739 22 HG LEU 4 HG LEU 4 5.286 7.203 0.027 23 HD11 LEU 4 1HD1 LEU 4 3.209 6.128 0.773 24 HD12 LEU 4 2HD1 LEU 4 4.618 5.064 0.996 25 HD13 LEU 4 3HD1 LEU 4 3.907 5.905 2.394 26 HD21 LEU 4 1HD2 LEU 4 3.488 8.615 0.965 27 HD22 LEU 4 2HD2 LEU 4 4.189 8.428 2.591 28 HD23 LEU 4 3HD2 LEU 4 5.092 9.297 1.327 29 H THR 5 H THR 5 8.866 7.271 0.378 30 HA THR 5 HA THR 5 8.034 6.992 -2.345 31 HB THR 5 HB THR 5 10.723 7.898 -1.226 32 HG1 THR 5 HG1 THR 5 8.612 9.533 -2.192 33 HG21 THR 5 1HG2 THR 5 10.979 9.028 -3.400 34 HG22 THR 5 2HG2 THR 5 10.842 7.267 -3.612 35 HG23 THR 5 3HG2 THR 5 9.447 8.315 -3.957 36 H VAL 6 H VAL 6 8.522 5.611 -3.912 37 HA VAL 6 HA VAL 6 10.257 3.315 -3.171 38 HB VAL 6 HB VAL 6 8.253 3.648 -5.445 39 HG11 VAL 6 1HG1 VAL 6 8.539 1.242 -5.787 40 HG12 VAL 6 2HG1 VAL 6 10.051 2.138 -6.062 41 HG13 VAL 6 3HG1 VAL 6 9.821 1.219 -4.554 42 HG21 VAL 6 1HG2 VAL 6 6.891 2.061 -4.123 43 HG22 VAL 6 2HG2 VAL 6 8.125 2.072 -2.841 44 HG23 VAL 6 3HG2 VAL 6 7.209 3.554 -3.208 45 H ARG 7 H ARG 7 12.072 2.779 -4.249 46 HA ARG 7 HA ARG 7 13.471 4.841 -5.610 47 HB2 ARG 7 1HB ARG 7 13.961 1.854 -5.432 48 HB3 ARG 7 2HB ARG 7 15.072 2.960 -6.227 49 HG2 ARG 7 1HG ARG 7 15.428 4.159 -4.129 50 HG3 ARG 7 2HG ARG 7 14.256 3.097 -3.313 51 HD2 ARG 7 1HD ARG 7 15.655 1.176 -3.807 52 HD3 ARG 7 2HD ARG 7 16.825 2.238 -4.623 53 HE ARG 7 HE ARG 7 16.474 3.288 -2.071 54 HH11 ARG 7 1HH1 ARG 7 17.589 0.271 -3.484 55 HH12 ARG 7 2HH1 ARG 7 18.685 -0.086 -2.168 56 HH21 ARG 7 1HH2 ARG 7 17.899 2.814 -0.368 57 HH22 ARG 7 2HH2 ARG 7 18.861 1.353 -0.404 58 H ASP 8 H ASP 8 11.813 1.930 -6.837 59 HA ASP 8 HA ASP 8 12.398 2.464 -9.604 60 HB2 ASP 8 1HB ASP 8 11.699 0.232 -8.718 61 HB3 ASP 8 2HB ASP 8 10.095 0.877 -8.398 62 HA PRO 9 HA PRO 9 9.831 6.044 -9.927 63 HB2 PRO 9 1HB PRO 9 10.361 5.404 -12.857 64 HB3 PRO 9 2HB PRO 9 10.440 6.965 -12.031 65 HG2 PRO 9 1HG PRO 9 12.723 5.711 -12.548 66 HG3 PRO 9 2HG PRO 9 12.507 6.452 -10.959 67 HD2 PRO 9 1HD PRO 9 12.232 3.530 -11.767 68 HD3 PRO 9 2HD PRO 9 13.010 4.238 -10.294 69 H ALA 10 H ALA 10 9.486 3.087 -11.891 70 HA ALA 10 HA ALA 10 6.909 3.689 -12.954 71 HB1 ALA 10 1HB ALA 10 6.800 1.275 -13.483 72 HB2 ALA 10 2HB ALA 10 8.373 1.977 -13.928 73 HB3 ALA 10 3HB ALA 10 8.223 0.993 -12.454 74 H VAL 11 H VAL 11 7.910 1.819 -10.090 75 HA VAL 11 HA VAL 11 5.204 1.160 -9.326 76 HB VAL 11 HB VAL 11 7.804 1.187 -7.736 77 HG11 VAL 11 1HG1 VAL 11 6.632 -0.212 -6.106 78 HG12 VAL 11 2HG1 VAL 11 5.908 1.409 -6.236 79 HG13 VAL 11 3HG1 VAL 11 5.114 0.014 -7.006 80 HG21 VAL 11 1HG2 VAL 11 7.702 -1.260 -8.085 81 HG22 VAL 11 2HG2 VAL 11 6.219 -1.059 -9.048 82 HG23 VAL 11 3HG2 VAL 11 7.760 -0.391 -9.636 83 H ASP 12 H ASP 12 7.528 3.683 -8.368 84 HA ASP 12 HA ASP 12 6.036 4.780 -6.227 85 HB2 ASP 12 1HB ASP 12 8.435 5.321 -6.863 86 HB3 ASP 12 2HB ASP 12 7.804 6.330 -8.157 87 H ARG 13 H ARG 13 6.028 5.615 -9.699 88 HA ARG 13 HA ARG 13 4.042 7.671 -9.456 89 HB2 ARG 13 1HB ARG 13 4.917 5.964 -11.806 90 HB3 ARG 13 2HB ARG 13 3.751 7.271 -11.943 91 HG2 ARG 13 1HG ARG 13 5.510 8.834 -11.054 92 HG3 ARG 13 2HG ARG 13 6.666 7.486 -11.171 93 HD2 ARG 13 1HD ARG 13 6.918 8.704 -13.138 94 HD3 ARG 13 2HD ARG 13 5.942 7.286 -13.586 95 HE ARG 13 HE ARG 13 4.384 9.631 -12.874 96 HH11 ARG 13 1HH1 ARG 13 6.033 7.912 -15.455 97 HH12 ARG 13 2HH1 ARG 13 5.079 8.647 -16.724 98 HH21 ARG 13 1HH2 ARG 13 3.153 10.579 -14.530 99 HH22 ARG 13 2HH2 ARG 13 3.449 10.157 -16.201 100 H SER 14 H SER 14 3.883 4.182 -10.085 101 HA SER 14 HA SER 14 1.109 4.065 -10.725 102 HB2 SER 14 1HB SER 14 2.946 2.012 -9.450 103 HB3 SER 14 2HB SER 14 1.320 1.664 -10.017 104 HG SER 14 HG SER 14 3.572 2.472 -11.467 105 H LEU 15 H LEU 15 2.843 4.039 -7.641 106 HA LEU 15 HA LEU 15 0.486 3.413 -6.072 107 HB2 LEU 15 1HB LEU 15 3.209 4.542 -5.348 108 HB3 LEU 15 2HB LEU 15 1.955 4.187 -4.155 109 HG LEU 15 HG LEU 15 3.206 2.126 -6.006 110 HD11 LEU 15 1HD1 LEU 15 4.408 1.381 -4.000 111 HD12 LEU 15 2HD1 LEU 15 4.846 3.046 -4.448 112 HD13 LEU 15 3HD1 LEU 15 3.737 2.753 -3.088 113 HD21 LEU 15 1HD2 LEU 15 2.095 0.532 -4.478 114 HD22 LEU 15 2HD2 LEU 15 1.390 1.892 -3.571 115 HD23 LEU 15 3HD2 LEU 15 0.907 1.603 -5.260 116 H ARG 16 H ARG 16 2.154 6.369 -7.073 117 HA ARG 16 HA ARG 16 0.501 8.071 -5.375 118 HB2 ARG 16 1HB ARG 16 2.517 8.619 -7.567 119 HB3 ARG 16 2HB ARG 16 1.585 9.905 -6.815 120 HG2 ARG 16 1HG ARG 16 2.515 9.173 -4.593 121 HG3 ARG 16 2HG ARG 16 3.586 8.068 -5.489 122 HD2 ARG 16 1HD ARG 16 3.445 10.976 -6.168 123 HD3 ARG 16 2HD ARG 16 4.455 10.382 -4.829 124 HE ARG 16 HE ARG 16 5.763 9.145 -6.391 125 HH11 ARG 16 1HH1 ARG 16 3.363 11.236 -7.876 126 HH12 ARG 16 2HH1 ARG 16 4.153 11.245 -9.437 127 HH21 ARG 16 1HH2 ARG 16 6.780 9.164 -8.421 128 HH22 ARG 16 2HH2 ARG 16 6.087 10.072 -9.746 129 H SER 17 H SER 17 0.318 6.734 -8.573 130 HA SER 17 HA SER 17 -1.799 8.625 -9.387 131 HB2 SER 17 1HB SER 17 -0.214 7.924 -11.086 132 HB3 SER 17 2HB SER 17 -0.538 6.229 -10.757 133 HG SER 17 HG SER 17 -2.712 6.651 -11.346 134 H VAL 18 H VAL 18 -3.929 8.231 -9.408 135 HA VAL 18 HA VAL 18 -4.810 5.509 -8.541 136 HB VAL 18 HB VAL 18 -6.866 6.604 -7.712 137 HG11 VAL 18 1HG1 VAL 18 -5.884 7.788 -5.809 138 HG12 VAL 18 2HG1 VAL 18 -5.008 6.285 -6.183 139 HG13 VAL 18 3HG1 VAL 18 -4.323 7.858 -6.659 140 HG21 VAL 18 1HG2 VAL 18 -6.982 9.074 -7.625 141 HG22 VAL 18 2HG2 VAL 18 -5.456 9.176 -8.535 142 HG23 VAL 18 3HG2 VAL 18 -6.908 8.492 -9.305 143 H PHE 19 H PHE 19 -6.556 4.532 -9.570 144 HA PHE 19 HA PHE 19 -6.982 5.484 -12.343 145 HB2 PHE 19 1HB PHE 19 -6.329 3.110 -11.938 146 HB3 PHE 19 2HB PHE 19 -7.801 2.872 -11.009 147 HD1 PHE 19 HD1 PHE 19 -7.180 4.623 -14.257 148 HD2 PHE 19 HD2 PHE 19 -9.178 1.461 -12.194 149 HE1 PHE 19 HE1 PHE 19 -8.394 4.039 -16.331 150 HE2 PHE 19 HE2 PHE 19 -10.392 0.872 -14.266 151 HZ PHE 19 HZ PHE 19 -10.000 2.163 -16.335 152 H VAL 20 H VAL 20 -8.745 6.509 -12.964 153 HA VAL 20 HA VAL 20 -10.962 6.687 -10.979 154 HB VAL 20 HB VAL 20 -10.245 8.603 -13.238 155 HG11 VAL 20 1HG1 VAL 20 -11.776 10.140 -12.106 156 HG12 VAL 20 2HG1 VAL 20 -12.600 8.660 -12.651 157 HG13 VAL 20 3HG1 VAL 20 -12.185 8.867 -10.932 158 HG21 VAL 20 1HG2 VAL 20 -9.390 10.060 -11.430 159 HG22 VAL 20 2HG2 VAL 20 -9.724 8.778 -10.241 160 HG23 VAL 20 3HG2 VAL 20 -8.491 8.527 -11.500 161 H GLY 21 H GLY 21 -13.028 6.247 -11.514 162 HA2 GLY 21 1HA GLY 21 -13.604 5.554 -14.369 163 HA3 GLY 21 2HA GLY 21 -14.060 4.461 -13.076 164 H ASN 22 H ASN 22 -16.103 5.147 -14.542 165 HA ASN 22 HA ASN 22 -18.153 6.192 -14.626 166 HB2 ASN 22 1HB ASN 22 -17.496 6.749 -11.715 167 HB3 ASN 22 2HB ASN 22 -19.071 7.019 -12.449 168 HD21 ASN 22 1HD2 ASN 22 -18.822 3.656 -10.764 169 HD22 ASN 22 2HD2 ASN 22 -18.384 5.257 -10.268 170 H ILE 23 H ILE 23 -16.076 7.662 -15.674 171 HA ILE 23 HA ILE 23 -16.575 10.442 -14.788 172 HB ILE 23 HB ILE 23 -14.713 9.311 -16.920 173 HG12 ILE 23 1HG1 ILE 23 -14.055 10.531 -14.232 174 HG13 ILE 23 2HG1 ILE 23 -14.165 8.803 -14.525 175 HG21 ILE 23 1HG2 ILE 23 -13.774 11.585 -17.006 176 HG22 ILE 23 2HG2 ILE 23 -15.484 11.580 -17.494 177 HG23 ILE 23 3HG2 ILE 23 -15.024 12.148 -15.873 178 HD11 ILE 23 1HD1 ILE 23 -11.855 9.558 -14.593 179 HD12 ILE 23 2HD1 ILE 23 -12.365 8.957 -16.189 180 HD13 ILE 23 3HD1 ILE 23 -12.251 10.708 -15.891 181 HA PRO 24 HA PRO 24 -19.846 10.986 -17.698 182 HB2 PRO 24 1HB PRO 24 -18.946 13.865 -17.343 183 HB3 PRO 24 2HB PRO 24 -20.581 13.194 -17.278 184 HG2 PRO 24 1HG PRO 24 -19.367 13.798 -14.985 185 HG3 PRO 24 2HG PRO 24 -20.277 12.289 -15.099 186 HD2 PRO 24 1HD PRO 24 -17.271 12.736 -15.306 187 HD3 PRO 24 2HD PRO 24 -18.172 11.440 -14.421 188 H TYR 25 H TYR 25 -19.921 11.265 -19.905 189 HA TYR 25 HA TYR 25 -17.423 11.370 -21.338 190 HB2 TYR 25 1HB TYR 25 -20.326 11.430 -22.237 191 HB3 TYR 25 2HB TYR 25 -18.981 11.471 -23.369 192 HD1 TYR 25 HD1 TYR 25 -18.031 9.577 -20.545 193 HD2 TYR 25 HD2 TYR 25 -20.373 9.381 -24.134 194 HE1 TYR 25 HE1 TYR 25 -17.909 7.109 -20.490 195 HE2 TYR 25 HE2 TYR 25 -20.252 6.913 -24.079 196 HH TYR 25 HH TYR 25 -18.414 5.218 -21.553 197 H GLU 26 H GLU 26 -19.711 13.769 -20.324 198 HA GLU 26 HA GLU 26 -18.690 15.803 -22.172 199 HB2 GLU 26 1HB GLU 26 -20.526 15.976 -19.750 200 HB3 GLU 26 2HB GLU 26 -20.100 17.349 -20.762 201 HG2 GLU 26 1HG GLU 26 -21.136 16.259 -22.701 202 HG3 GLU 26 2HG GLU 26 -21.538 14.860 -21.707 203 H ALA 27 H ALA 27 -17.723 14.432 -19.204 204 HA ALA 27 HA ALA 27 -16.312 16.839 -18.285 205 HB1 ALA 27 1HB ALA 27 -15.525 15.380 -16.449 206 HB2 ALA 27 2HB ALA 27 -17.295 15.317 -16.629 207 HB3 ALA 27 3HB ALA 27 -16.290 13.983 -17.242 208 H THR 28 H THR 28 -13.976 16.662 -17.694 209 HA THR 28 HA THR 28 -12.388 14.901 -19.433 210 HB THR 28 HB THR 28 -12.958 16.856 -20.904 211 HG1 THR 28 HG1 THR 28 -11.050 16.423 -21.684 212 HG21 THR 28 1HG2 THR 28 -11.924 19.034 -20.396 213 HG22 THR 28 2HG2 THR 28 -13.096 18.577 -19.137 214 HG23 THR 28 3HG2 THR 28 -11.352 18.403 -18.835 215 H GLU 29 H GLU 29 -9.969 16.227 -19.290 216 HA GLU 29 HA GLU 29 -9.156 15.293 -16.711 217 HB2 GLU 29 1HB GLU 29 -7.693 16.945 -18.808 218 HB3 GLU 29 2HB GLU 29 -6.926 16.309 -17.359 219 HG2 GLU 29 1HG GLU 29 -7.314 14.041 -18.061 220 HG3 GLU 29 2HG GLU 29 -8.306 14.576 -19.416 221 H GLU 30 H GLU 30 -9.720 18.538 -18.029 222 HA GLU 30 HA GLU 30 -8.774 19.982 -15.750 223 HB2 GLU 30 1HB GLU 30 -10.838 20.676 -17.875 224 HB3 GLU 30 2HB GLU 30 -10.300 21.811 -16.645 225 HG2 GLU 30 1HG GLU 30 -8.013 21.685 -17.480 226 HG3 GLU 30 2HG GLU 30 -8.490 20.473 -18.667 227 H GLN 31 H GLN 31 -11.927 18.580 -16.567 228 HA GLN 31 HA GLN 31 -13.320 19.712 -14.321 229 HB2 GLN 31 1HB GLN 31 -13.906 17.235 -15.992 230 HB3 GLN 31 2HB GLN 31 -15.009 17.913 -14.804 231 HG2 GLN 31 1HG GLN 31 -13.993 19.364 -17.256 232 HG3 GLN 31 2HG GLN 31 -15.579 18.557 -17.097 233 HE21 GLN 31 1HE2 GLN 31 -15.344 22.363 -16.181 234 HE22 GLN 31 2HE2 GLN 31 -14.350 21.487 -17.297 235 H LEU 32 H LEU 32 -11.488 16.723 -14.812 236 HA LEU 32 HA LEU 32 -12.023 15.588 -12.240 237 HB2 LEU 32 1HB LEU 32 -9.655 15.343 -14.123 238 HB3 LEU 32 2HB LEU 32 -9.812 14.406 -12.633 239 HG LEU 32 HG LEU 32 -11.789 14.304 -14.938 240 HD11 LEU 32 1HD1 LEU 32 -10.752 12.139 -15.448 241 HD12 LEU 32 2HD1 LEU 32 -9.593 13.478 -15.614 242 HD13 LEU 32 3HD1 LEU 32 -9.535 12.424 -14.182 243 HD21 LEU 32 1HD2 LEU 32 -12.594 12.292 -13.749 244 HD22 LEU 32 2HD2 LEU 32 -11.402 12.579 -12.458 245 HD23 LEU 32 3HD2 LEU 32 -12.725 13.739 -12.721 246 H LYS 33 H LYS 33 -9.527 17.839 -13.411 247 HA LYS 33 HA LYS 33 -8.020 17.987 -11.011 248 HB2 LYS 33 1HB LYS 33 -7.298 18.914 -13.216 249 HB3 LYS 33 2HB LYS 33 -8.505 20.182 -13.065 250 HG2 LYS 33 1HG LYS 33 -7.376 21.075 -11.091 251 HG3 LYS 33 2HG LYS 33 -6.198 19.756 -11.144 252 HD2 LYS 33 1HD LYS 33 -5.432 20.514 -13.365 253 HD3 LYS 33 2HD LYS 33 -6.625 21.821 -13.336 254 HE2 LYS 33 1HE LYS 33 -5.542 22.754 -11.310 255 HE3 LYS 33 2HE LYS 33 -4.342 21.460 -11.359 256 HZ1 LYS 33 1HZ LYS 33 -3.524 23.461 -12.367 257 HZ2 LYS 33 2HZ LYS 33 -3.640 22.272 -13.505 258 HZ3 LYS 33 3HZ LYS 33 -4.760 23.482 -13.458 259 H ASP 34 H ASP 34 -10.952 19.685 -12.036 260 HA ASP 34 HA ASP 34 -10.960 21.625 -9.942 261 HB2 ASP 34 1HB ASP 34 -13.178 20.428 -11.637 262 HB3 ASP 34 2HB ASP 34 -13.479 21.682 -10.441 263 H ILE 35 H ILE 35 -11.601 18.248 -9.940 264 HA ILE 35 HA ILE 35 -13.057 18.460 -7.351 265 HB ILE 35 HB ILE 35 -12.701 16.082 -9.225 266 HG12 ILE 35 1HG1 ILE 35 -14.154 17.769 -10.178 267 HG13 ILE 35 2HG1 ILE 35 -15.083 16.361 -9.687 268 HG21 ILE 35 1HG2 ILE 35 -14.343 14.974 -7.763 269 HG22 ILE 35 2HG2 ILE 35 -12.869 15.399 -6.862 270 HG23 ILE 35 3HG2 ILE 35 -14.338 16.386 -6.680 271 HD11 ILE 35 1HD1 ILE 35 -16.247 18.419 -9.124 272 HD12 ILE 35 2HD1 ILE 35 -15.800 17.530 -7.648 273 HD13 ILE 35 3HD1 ILE 35 -14.861 18.957 -8.147 274 H PHE 36 H PHE 36 -10.314 16.764 -8.900 275 HA PHE 36 HA PHE 36 -9.722 15.299 -6.471 276 HB2 PHE 36 1HB PHE 36 -8.317 15.608 -9.140 277 HB3 PHE 36 2HB PHE 36 -7.591 14.707 -7.820 278 HD1 PHE 36 HD1 PHE 36 -11.029 14.934 -9.301 279 HD2 PHE 36 HD2 PHE 36 -7.787 12.441 -8.067 280 HE1 PHE 36 HE1 PHE 36 -12.321 12.932 -9.959 281 HE2 PHE 36 HE2 PHE 36 -9.074 10.436 -8.726 282 HZ PHE 36 HZ PHE 36 -11.343 10.682 -9.671 283 H SER 37 H SER 37 -8.674 18.316 -7.879 284 HA SER 37 HA SER 37 -6.198 18.543 -6.431 285 HB2 SER 37 1HB SER 37 -6.196 20.832 -7.155 286 HB3 SER 37 2HB SER 37 -6.808 19.850 -8.477 287 HG SER 37 HG SER 37 -8.777 20.561 -8.149 288 H GLU 38 H GLU 38 -9.468 18.779 -5.479 289 HA GLU 38 HA GLU 38 -9.144 20.653 -3.310 290 HB2 GLU 38 1HB GLU 38 -11.197 18.468 -3.828 291 HB3 GLU 38 2HB GLU 38 -11.289 19.586 -2.475 292 HG2 GLU 38 1HG GLU 38 -11.398 21.479 -4.051 293 HG3 GLU 38 2HG GLU 38 -11.320 20.351 -5.402 294 H VAL 39 H VAL 39 -8.391 17.292 -3.745 295 HA VAL 39 HA VAL 39 -8.378 16.626 -0.918 296 HB VAL 39 HB VAL 39 -7.145 15.231 -3.332 297 HG11 VAL 39 1HG1 VAL 39 -6.963 13.265 -1.886 298 HG12 VAL 39 2HG1 VAL 39 -5.963 14.617 -1.302 299 HG13 VAL 39 3HG1 VAL 39 -7.505 14.237 -0.497 300 HG21 VAL 39 1HG2 VAL 39 -9.086 13.715 -3.088 301 HG22 VAL 39 2HG2 VAL 39 -9.690 14.708 -1.740 302 HG23 VAL 39 3HG2 VAL 39 -9.610 15.390 -3.382 303 H GLY 40 H GLY 40 -5.857 17.302 -3.365 304 HA2 GLY 40 1HA GLY 40 -4.156 18.701 -1.560 305 HA3 GLY 40 2HA GLY 40 -3.622 17.031 -1.611 306 HA PRO 41 HA PRO 41 -1.689 19.591 -4.982 307 HB2 PRO 41 1HB PRO 41 0.667 17.907 -4.070 308 HB3 PRO 41 2HB PRO 41 0.629 19.617 -4.521 309 HG2 PRO 41 1HG PRO 41 0.731 18.990 -1.934 310 HG3 PRO 41 2HG PRO 41 -0.346 20.287 -2.458 311 HD2 PRO 41 1HD PRO 41 -1.013 17.388 -1.804 312 HD3 PRO 41 2HD PRO 41 -1.904 18.893 -1.344 313 H VAL 42 H VAL 42 -1.571 18.909 -7.068 314 HA VAL 42 HA VAL 42 -1.482 15.956 -7.531 315 HB VAL 42 HB VAL 42 -2.954 16.333 -9.479 316 HG11 VAL 42 1HG1 VAL 42 -5.013 16.860 -8.266 317 HG12 VAL 42 2HG1 VAL 42 -3.961 15.759 -7.346 318 HG13 VAL 42 3HG1 VAL 42 -4.051 17.481 -6.904 319 HG21 VAL 42 1HG2 VAL 42 -4.021 18.544 -9.795 320 HG22 VAL 42 2HG2 VAL 42 -3.022 19.211 -8.482 321 HG23 VAL 42 3HG2 VAL 42 -2.255 18.648 -9.986 322 H VAL 43 H VAL 43 -0.781 15.346 -9.748 323 HA VAL 43 HA VAL 43 1.436 17.147 -10.620 324 HB VAL 43 HB VAL 43 1.116 14.130 -10.924 325 HG11 VAL 43 1HG1 VAL 43 3.384 14.166 -11.840 326 HG12 VAL 43 2HG1 VAL 43 2.242 15.080 -12.853 327 HG13 VAL 43 3HG1 VAL 43 3.376 15.945 -11.787 328 HG21 VAL 43 1HG2 VAL 43 3.051 14.047 -9.384 329 HG22 VAL 43 2HG2 VAL 43 3.024 15.822 -9.257 330 HG23 VAL 43 3HG2 VAL 43 1.662 14.863 -8.629 331 H SER 44 H SER 44 -0.827 14.687 -11.942 332 HA SER 44 HA SER 44 -1.325 16.303 -14.318 333 HB2 SER 44 1HB SER 44 0.892 15.444 -14.876 334 HB3 SER 44 2HB SER 44 0.385 13.803 -14.506 335 HG SER 44 HG SER 44 -1.123 13.952 -16.156 336 H PHE 45 H PHE 45 -3.009 15.541 -15.579 337 HA PHE 45 HA PHE 45 -4.373 13.106 -14.505 338 HB2 PHE 45 1HB PHE 45 -5.550 15.623 -15.745 339 HB3 PHE 45 2HB PHE 45 -6.480 14.169 -15.418 340 HD1 PHE 45 HD1 PHE 45 -4.461 16.837 -13.817 341 HD2 PHE 45 HD2 PHE 45 -7.324 13.715 -13.268 342 HE1 PHE 45 HE1 PHE 45 -4.869 17.620 -11.508 343 HE2 PHE 45 HE2 PHE 45 -7.737 14.496 -10.959 344 HZ PHE 45 HZ PHE 45 -6.507 16.449 -10.079 345 H ARG 46 H ARG 46 -5.431 11.722 -15.967 346 HA ARG 46 HA ARG 46 -4.885 12.210 -18.852 347 HB2 ARG 46 1HB ARG 46 -4.304 9.647 -17.333 348 HB3 ARG 46 2HB ARG 46 -4.381 9.746 -19.086 349 HG2 ARG 46 1HG ARG 46 -2.471 11.386 -17.408 350 HG3 ARG 46 2HG ARG 46 -2.078 9.803 -18.122 351 HD2 ARG 46 1HD ARG 46 -2.597 10.714 -20.338 352 HD3 ARG 46 2HD ARG 46 -2.882 12.302 -19.591 353 HE ARG 46 HE ARG 46 -0.318 10.979 -20.039 354 HH11 ARG 46 1HH1 ARG 46 -2.061 13.552 -18.402 355 HH12 ARG 46 2HH1 ARG 46 -0.630 14.520 -18.131 356 HH21 ARG 46 1HH2 ARG 46 1.533 12.244 -19.681 357 HH22 ARG 46 2HH2 ARG 46 1.405 13.780 -18.855 358 H LEU 47 H LEU 47 -6.669 12.064 -20.008 359 HA LEU 47 HA LEU 47 -8.967 10.539 -18.909 360 HB2 LEU 47 1HB LEU 47 -9.415 12.836 -19.618 361 HB3 LEU 47 2HB LEU 47 -8.756 12.500 -21.222 362 HG LEU 47 HG LEU 47 -10.626 10.851 -21.571 363 HD11 LEU 47 1HD1 LEU 47 -12.548 10.969 -20.049 364 HD12 LEU 47 2HD1 LEU 47 -11.089 10.374 -19.222 365 HD13 LEU 47 3HD1 LEU 47 -11.631 12.052 -18.975 366 HD21 LEU 47 1HD2 LEU 47 -12.325 12.609 -21.936 367 HD22 LEU 47 2HD2 LEU 47 -11.405 13.716 -20.889 368 HD23 LEU 47 3HD2 LEU 47 -10.709 13.167 -22.433 369 H VAL 48 H VAL 48 -9.364 8.555 -19.562 370 HA VAL 48 HA VAL 48 -8.129 7.558 -22.051 371 HB VAL 48 HB VAL 48 -9.814 6.154 -19.933 372 HG11 VAL 48 1HG1 VAL 48 -9.073 4.076 -20.991 373 HG12 VAL 48 2HG1 VAL 48 -10.049 5.074 -22.094 374 HG13 VAL 48 3HG1 VAL 48 -8.279 5.015 -22.277 375 HG21 VAL 48 1HG2 VAL 48 -7.652 5.153 -19.265 376 HG22 VAL 48 2HG2 VAL 48 -6.820 6.131 -20.497 377 HG23 VAL 48 3HG2 VAL 48 -7.614 6.925 -19.116 378 H TYR 49 H TYR 49 -9.146 7.334 -23.928 379 HA TYR 49 HA TYR 49 -12.108 7.398 -23.994 380 HB2 TYR 49 1HB TYR 49 -12.197 9.255 -25.540 381 HB3 TYR 49 2HB TYR 49 -11.321 9.774 -24.106 382 HD1 TYR 49 HD1 TYR 49 -11.127 9.099 -27.682 383 HD2 TYR 49 HD2 TYR 49 -8.878 10.094 -24.166 384 HE1 TYR 49 HE1 TYR 49 -9.232 9.816 -29.097 385 HE2 TYR 49 HE2 TYR 49 -6.983 10.812 -25.582 386 HH TYR 49 HH TYR 49 -6.252 11.137 -27.651 387 H ASP 50 H ASP 50 -13.003 6.922 -26.113 388 HA ASP 50 HA ASP 50 -11.315 4.950 -27.520 389 HB2 ASP 50 1HB ASP 50 -13.657 4.377 -26.881 390 HB3 ASP 50 2HB ASP 50 -14.248 5.674 -27.911 391 H ARG 51 H ARG 51 -10.087 5.553 -29.144 392 HA ARG 51 HA ARG 51 -10.293 8.142 -30.354 393 HB2 ARG 51 1HB ARG 51 -8.746 5.653 -31.134 394 HB3 ARG 51 2HB ARG 51 -8.605 7.180 -31.992 395 HG2 ARG 51 1HG ARG 51 -7.771 8.274 -29.976 396 HG3 ARG 51 2HG ARG 51 -7.972 6.761 -29.059 397 HD2 ARG 51 1HD ARG 51 -6.384 5.662 -30.532 398 HD3 ARG 51 2HD ARG 51 -6.178 7.178 -31.439 399 HE ARG 51 HE ARG 51 -5.665 7.787 -28.771 400 HH11 ARG 51 1HH1 ARG 51 -4.335 5.668 -31.237 401 HH12 ARG 51 2HH1 ARG 51 -2.711 5.727 -30.590 402 HH21 ARG 51 1HH2 ARG 51 -3.553 7.857 -27.941 403 HH22 ARG 51 2HH2 ARG 51 -2.267 6.966 -28.725 404 H GLU 52 H GLU 52 -11.626 5.009 -31.146 405 HA GLU 52 HA GLU 52 -12.220 5.680 -33.915 406 HB2 GLU 52 1HB GLU 52 -11.874 3.338 -33.169 407 HB3 GLU 52 2HB GLU 52 -13.294 3.450 -32.139 408 HG2 GLU 52 1HG GLU 52 -13.880 2.268 -34.127 409 HG3 GLU 52 2HG GLU 52 -14.694 3.831 -34.148 410 H THR 53 H THR 53 -14.082 5.496 -30.880 411 HA THR 53 HA THR 53 -16.549 6.326 -32.181 412 HB THR 53 HB THR 53 -15.810 6.167 -29.227 413 HG1 THR 53 HG1 THR 53 -15.927 4.111 -29.834 414 HG21 THR 53 1HG2 THR 53 -18.244 6.237 -28.846 415 HG22 THR 53 2HG2 THR 53 -17.682 7.725 -29.644 416 HG23 THR 53 3HG2 THR 53 -18.514 6.468 -30.589 417 H GLY 54 H GLY 54 -14.085 7.892 -30.147 418 HA2 GLY 54 1HA GLY 54 -13.503 10.213 -30.373 419 HA3 GLY 54 2HA GLY 54 -15.064 10.531 -31.105 420 H LYS 55 H LYS 55 -15.424 8.455 -28.468 421 HA LYS 55 HA LYS 55 -16.027 10.755 -26.655 422 HB2 LYS 55 1HB LYS 55 -17.566 8.151 -27.003 423 HB3 LYS 55 2HB LYS 55 -17.871 9.320 -25.726 424 HG2 LYS 55 1HG LYS 55 -18.424 11.028 -27.440 425 HG3 LYS 55 2HG LYS 55 -18.166 9.816 -28.703 426 HD2 LYS 55 1HD LYS 55 -19.948 8.408 -27.709 427 HD3 LYS 55 2HD LYS 55 -20.211 9.632 -26.458 428 HE2 LYS 55 1HE LYS 55 -20.813 11.283 -28.199 429 HE3 LYS 55 2HE LYS 55 -20.545 10.066 -29.450 430 HZ1 LYS 55 1HZ LYS 55 -22.855 10.260 -28.888 431 HZ2 LYS 55 2HZ LYS 55 -22.307 8.760 -28.475 432 HZ3 LYS 55 3HZ LYS 55 -22.557 9.897 -27.307 433 HA PRO 56 HA PRO 56 -13.422 9.008 -23.632 434 HB2 PRO 56 1HB PRO 56 -15.669 9.698 -21.712 435 HB3 PRO 56 2HB PRO 56 -13.951 10.103 -21.607 436 HG2 PRO 56 1HG PRO 56 -15.651 12.004 -22.371 437 HG3 PRO 56 2HG PRO 56 -14.114 11.840 -23.226 438 HD2 PRO 56 1HD PRO 56 -16.875 10.836 -24.037 439 HD3 PRO 56 2HD PRO 56 -15.625 11.668 -25.046 440 H LYS 57 H LYS 57 -13.218 7.105 -22.398 441 HA LYS 57 HA LYS 57 -15.414 5.155 -22.675 442 HB2 LYS 57 1HB LYS 57 -12.565 4.914 -21.634 443 HB3 LYS 57 2HB LYS 57 -13.713 3.582 -21.643 444 HG2 LYS 57 1HG LYS 57 -13.882 3.748 -24.106 445 HG3 LYS 57 2HG LYS 57 -12.708 5.072 -24.086 446 HD2 LYS 57 1HD LYS 57 -11.023 3.576 -23.078 447 HD3 LYS 57 2HD LYS 57 -12.197 2.253 -23.064 448 HE2 LYS 57 1HE LYS 57 -12.318 2.259 -25.492 449 HE3 LYS 57 2HE LYS 57 -11.302 3.699 -25.582 450 HZ1 LYS 57 1HZ LYS 57 -10.055 1.712 -26.011 451 HZ2 LYS 57 2HZ LYS 57 -9.508 2.423 -24.627 452 HZ3 LYS 57 3HZ LYS 57 -10.457 1.077 -24.544 453 H GLY 58 H GLY 58 -14.491 7.492 -20.465 454 HA2 GLY 58 1HA GLY 58 -15.768 7.972 -18.510 455 HA3 GLY 58 2HA GLY 58 -16.297 6.302 -18.443 456 H TYR 59 H TYR 59 -12.944 6.690 -19.062 457 HA TYR 59 HA TYR 59 -12.304 6.291 -16.175 458 HB2 TYR 59 1HB TYR 59 -11.218 4.654 -18.504 459 HB3 TYR 59 2HB TYR 59 -10.651 4.549 -16.843 460 HD1 TYR 59 HD1 TYR 59 -13.265 3.626 -19.201 461 HD2 TYR 59 HD2 TYR 59 -12.103 3.621 -15.071 462 HE1 TYR 59 HE1 TYR 59 -14.994 1.928 -18.717 463 HE2 TYR 59 HE2 TYR 59 -13.832 1.922 -14.587 464 HH TYR 59 HH TYR 59 -15.962 0.682 -17.153 465 H GLY 60 H GLY 60 -10.092 6.708 -15.593 466 HA2 GLY 60 1HA GLY 60 -8.257 7.956 -17.441 467 HA3 GLY 60 2HA GLY 60 -9.114 9.176 -16.518 468 H PHE 61 H PHE 61 -6.727 9.497 -15.903 469 HA PHE 61 HA PHE 61 -6.228 7.943 -13.405 470 HB2 PHE 61 1HB PHE 61 -4.153 8.788 -15.467 471 HB3 PHE 61 2HB PHE 61 -3.777 8.119 -13.886 472 HD1 PHE 61 HD1 PHE 61 -5.049 7.398 -17.240 473 HD2 PHE 61 HD2 PHE 61 -4.169 5.770 -13.389 474 HE1 PHE 61 HE1 PHE 61 -5.186 5.114 -18.176 475 HE2 PHE 61 HE2 PHE 61 -4.303 3.484 -14.322 476 HZ PHE 61 HZ PHE 61 -4.813 3.157 -16.717 477 H CYS 62 H CYS 62 -5.232 9.057 -11.712 478 HA CYS 62 HA CYS 62 -4.631 11.933 -12.200 479 HB2 CYS 62 1HB CYS 62 -6.832 11.856 -11.117 480 HB3 CYS 62 2HB CYS 62 -6.205 10.815 -9.848 481 HG CYS 62 HG CYS 62 -4.231 12.755 -9.386 482 H GLU 63 H GLU 63 -2.499 12.028 -11.962 483 HA GLU 63 HA GLU 63 -1.163 10.364 -9.927 484 HB2 GLU 63 1HB GLU 63 -0.170 10.637 -12.197 485 HB3 GLU 63 2HB GLU 63 -0.015 12.365 -11.917 486 HG2 GLU 63 1HG GLU 63 1.573 11.996 -10.133 487 HG3 GLU 63 2HG GLU 63 1.331 10.252 -10.223 488 H TYR 64 H TYR 64 -0.763 10.998 -7.943 489 HA TYR 64 HA TYR 64 -0.968 13.896 -7.314 490 HB2 TYR 64 1HB TYR 64 -1.103 11.386 -5.609 491 HB3 TYR 64 2HB TYR 64 -0.936 12.988 -4.903 492 HD1 TYR 64 HD1 TYR 64 -3.159 10.696 -6.708 493 HD2 TYR 64 HD2 TYR 64 -2.752 14.602 -4.980 494 HE1 TYR 64 HE1 TYR 64 -5.609 10.999 -6.815 495 HE2 TYR 64 HE2 TYR 64 -5.202 14.905 -5.088 496 HH TYR 64 HH TYR 64 -7.143 14.007 -5.664 497 H GLN 65 H GLN 65 0.523 14.793 -5.699 498 HA GLN 65 HA GLN 65 3.219 14.360 -6.692 499 HB2 GLN 65 1HB GLN 65 2.088 16.201 -4.550 500 HB3 GLN 65 2HB GLN 65 3.784 16.181 -5.012 501 HG2 GLN 65 1HG GLN 65 3.136 16.758 -7.333 502 HG3 GLN 65 2HG GLN 65 1.437 16.866 -6.791 503 HE21 GLN 65 1HE2 GLN 65 2.201 20.312 -6.558 504 HE22 GLN 65 2HE2 GLN 65 1.513 19.079 -7.562 505 H ASP 66 H ASP 66 1.369 13.201 -4.019 506 HA ASP 66 HA ASP 66 3.675 11.514 -3.298 507 HB2 ASP 66 1HB ASP 66 3.439 11.943 -0.882 508 HB3 ASP 66 2HB ASP 66 3.913 13.401 -1.743 509 H GLN 67 H GLN 67 2.935 9.914 -1.491 510 HA GLN 67 HA GLN 67 0.698 8.570 -2.838 511 HB2 GLN 67 1HB GLN 67 2.651 7.647 -0.694 512 HB3 GLN 67 2HB GLN 67 1.392 6.628 -1.376 513 HG2 GLN 67 1HG GLN 67 2.390 6.758 -3.571 514 HG3 GLN 67 2HG GLN 67 3.606 7.925 -2.978 515 HE21 GLN 67 1HE2 GLN 67 5.821 5.306 -2.451 516 HE22 GLN 67 2HE2 GLN 67 5.484 6.843 -3.176 517 H GLU 68 H GLU 68 1.406 10.055 0.264 518 HA GLU 68 HA GLU 68 -0.765 8.962 1.745 519 HB2 GLU 68 1HB GLU 68 0.704 11.615 1.973 520 HB3 GLU 68 2HB GLU 68 -0.516 11.093 3.125 521 HG2 GLU 68 1HG GLU 68 0.825 9.148 3.719 522 HG3 GLU 68 2HG GLU 68 2.025 9.574 2.502 523 H THR 69 H THR 69 -0.544 11.795 -0.387 524 HA THR 69 HA THR 69 -3.268 12.642 0.082 525 HB THR 69 HB THR 69 -1.432 13.232 -2.281 526 HG1 THR 69 HG1 THR 69 -0.478 14.042 -0.457 527 HG21 THR 69 1HG2 THR 69 -2.889 15.193 -2.598 528 HG22 THR 69 2HG2 THR 69 -3.816 13.681 -2.749 529 HG23 THR 69 3HG2 THR 69 -3.924 14.647 -1.259 530 H ALA 70 H ALA 70 -1.672 10.632 -2.380 531 HA ALA 70 HA ALA 70 -3.940 10.235 -4.033 532 HB1 ALA 70 1HB ALA 70 -2.760 8.209 -4.822 533 HB2 ALA 70 2HB ALA 70 -1.667 9.609 -4.716 534 HB3 ALA 70 3HB ALA 70 -1.624 8.350 -3.461 535 H LEU 71 H LEU 71 -2.795 8.430 -1.186 536 HA LEU 71 HA LEU 71 -4.866 6.444 -1.294 537 HB2 LEU 71 1HB LEU 71 -3.117 7.452 0.973 538 HB3 LEU 71 2HB LEU 71 -4.242 6.100 1.140 539 HG LEU 71 HG LEU 71 -1.912 6.168 -0.809 540 HD11 LEU 71 1HD1 LEU 71 -0.835 4.625 0.767 541 HD12 LEU 71 2HD1 LEU 71 -1.142 6.214 1.507 542 HD13 LEU 71 3HD1 LEU 71 -2.193 4.831 1.897 543 HD21 LEU 71 1HD2 LEU 71 -2.397 3.751 -0.993 544 HD22 LEU 71 2HD2 LEU 71 -3.778 3.944 0.113 545 HD23 LEU 71 3HD2 LEU 71 -3.803 4.726 -1.486 546 H SER 72 H SER 72 -4.571 9.583 0.343 547 HA SER 72 HA SER 72 -7.041 9.465 1.765 548 HB2 SER 72 1HB SER 72 -5.518 11.830 0.623 549 HB3 SER 72 2HB SER 72 -6.885 11.967 1.718 550 HG SER 72 HG SER 72 -4.320 11.012 2.151 551 H ALA 73 H ALA 73 -6.238 10.607 -1.514 552 HA ALA 73 HA ALA 73 -8.857 11.459 -2.218 553 HB1 ALA 73 1HB ALA 73 -8.096 11.181 -4.555 554 HB2 ALA 73 2HB ALA 73 -6.876 12.010 -3.558 555 HB3 ALA 73 3HB ALA 73 -6.668 10.293 -3.975 556 H MET 74 H MET 74 -7.266 8.287 -2.512 557 HA MET 74 HA MET 74 -9.380 6.911 -3.787 558 HB2 MET 74 1HB MET 74 -7.150 5.935 -3.465 559 HB3 MET 74 2HB MET 74 -7.377 5.914 -1.723 560 HG2 MET 74 1HG MET 74 -9.260 4.313 -2.016 561 HG3 MET 74 2HG MET 74 -8.942 4.296 -3.753 562 HE1 MET 74 1HE MET 74 -6.111 2.627 -0.500 563 HE2 MET 74 2HE MET 74 -6.480 4.364 -0.634 564 HE3 MET 74 3HE MET 74 -7.767 3.210 -0.206 565 H ARG 75 H ARG 75 -8.891 7.711 -0.372 566 HA ARG 75 HA ARG 75 -11.148 6.041 0.456 567 HB2 ARG 75 1HB ARG 75 -9.396 8.005 1.969 568 HB3 ARG 75 2HB ARG 75 -10.679 7.060 2.710 569 HG2 ARG 75 1HG ARG 75 -9.521 4.986 2.146 570 HG3 ARG 75 2HG ARG 75 -8.240 5.913 1.327 571 HD2 ARG 75 1HD ARG 75 -8.982 6.196 4.228 572 HD3 ARG 75 2HD ARG 75 -7.652 5.194 3.603 573 HE ARG 75 HE ARG 75 -7.245 7.727 2.549 574 HH11 ARG 75 1HH1 ARG 75 -7.486 6.302 5.750 575 HH12 ARG 75 2HH1 ARG 75 -6.413 7.470 6.488 576 HH21 ARG 75 1HH2 ARG 75 -5.855 9.238 3.518 577 HH22 ARG 75 2HH2 ARG 75 -5.490 9.133 5.226 578 H ASN 76 H ASN 76 -10.585 9.360 -0.441 579 HA ASN 76 HA ASN 76 -13.039 10.249 0.970 580 HB2 ASN 76 1HB ASN 76 -10.763 11.738 -0.365 581 HB3 ASN 76 2HB ASN 76 -12.226 12.540 0.189 582 HD21 ASN 76 1HD2 ASN 76 -9.589 12.684 2.819 583 HD22 ASN 76 2HD2 ASN 76 -9.665 13.123 1.145 584 H LEU 77 H LEU 77 -11.607 10.294 -2.304 585 HA LEU 77 HA LEU 77 -13.927 11.690 -3.368 586 HB2 LEU 77 1HB LEU 77 -11.523 10.402 -4.705 587 HB3 LEU 77 2HB LEU 77 -12.764 11.315 -5.569 588 HG LEU 77 HG LEU 77 -10.929 12.437 -3.421 589 HD11 LEU 77 1HD1 LEU 77 -9.872 13.617 -5.297 590 HD12 LEU 77 2HD1 LEU 77 -9.739 11.851 -5.471 591 HD13 LEU 77 3HD1 LEU 77 -10.932 12.754 -6.436 592 HD21 LEU 77 1HD2 LEU 77 -11.872 14.605 -4.145 593 HD22 LEU 77 2HD2 LEU 77 -12.961 13.756 -5.269 594 HD23 LEU 77 3HD2 LEU 77 -13.145 13.532 -3.513 595 H ASN 78 H ASN 78 -12.928 8.378 -3.005 596 HA ASN 78 HA ASN 78 -14.541 7.278 -5.122 597 HB2 ASN 78 1HB ASN 78 -12.612 6.109 -4.050 598 HB3 ASN 78 2HB ASN 78 -13.561 5.939 -2.580 599 HD21 ASN 78 1HD2 ASN 78 -13.761 3.031 -5.120 600 HD22 ASN 78 2HD2 ASN 78 -12.434 4.093 -4.783 601 H GLY 79 H GLY 79 -16.637 7.539 -5.257 602 HA2 GLY 79 1HA GLY 79 -18.816 6.745 -4.427 603 HA3 GLY 79 2HA GLY 79 -18.269 7.065 -2.792 604 H ARG 80 H ARG 80 -16.967 9.571 -4.345 605 HA ARG 80 HA ARG 80 -19.044 11.424 -3.518 606 HB2 ARG 80 1HB ARG 80 -16.629 11.956 -3.350 607 HB3 ARG 80 2HB ARG 80 -16.497 11.911 -5.101 608 HG2 ARG 80 1HG ARG 80 -17.951 13.838 -5.314 609 HG3 ARG 80 2HG ARG 80 -18.244 13.845 -3.558 610 HD2 ARG 80 1HD ARG 80 -15.904 14.278 -3.153 611 HD3 ARG 80 2HD ARG 80 -15.576 14.220 -4.900 612 HE ARG 80 HE ARG 80 -17.591 16.127 -4.481 613 HH11 ARG 80 1HH1 ARG 80 -14.209 15.636 -3.667 614 HH12 ARG 80 2HH1 ARG 80 -13.843 17.346 -3.618 615 HH21 ARG 80 1HH2 ARG 80 -17.103 18.344 -4.414 616 HH22 ARG 80 2HH2 ARG 80 -15.481 18.879 -4.040 617 H GLU 81 H GLU 81 -20.435 12.619 -4.717 618 HA GLU 81 HA GLU 81 -21.177 11.640 -7.323 619 HB2 GLU 81 1HB GLU 81 -22.788 12.665 -5.725 620 HB3 GLU 81 2HB GLU 81 -21.980 14.215 -5.908 621 HG2 GLU 81 1HG GLU 81 -22.584 14.268 -8.284 622 HG3 GLU 81 2HG GLU 81 -23.362 12.694 -8.129 623 H PHE 82 H PHE 82 -20.345 12.076 -9.226 624 HA PHE 82 HA PHE 82 -19.022 14.732 -9.594 625 HB2 PHE 82 1HB PHE 82 -17.393 12.837 -9.612 626 HB3 PHE 82 2HB PHE 82 -18.279 12.104 -10.940 627 HD1 PHE 82 HD1 PHE 82 -17.746 15.744 -10.622 628 HD2 PHE 82 HD2 PHE 82 -16.487 12.121 -12.504 629 HE1 PHE 82 HE1 PHE 82 -16.405 17.051 -12.237 630 HE2 PHE 82 HE2 PHE 82 -15.143 13.425 -14.119 631 HZ PHE 82 HZ PHE 82 -15.104 15.891 -13.986 632 H SER 83 H SER 83 -20.680 15.839 -10.505 633 HA SER 83 HA SER 83 -22.385 16.375 -11.961 634 HB2 SER 83 1HB SER 83 -20.675 14.740 -13.865 635 HB3 SER 83 2HB SER 83 -21.967 15.829 -14.345 636 HG SER 83 HG SER 83 -20.849 17.513 -13.422 637 H GLY 84 H GLY 84 -22.719 13.970 -10.353 638 HA2 GLY 84 1HA GLY 84 -24.905 12.937 -10.226 639 HA3 GLY 84 2HA GLY 84 -24.967 12.876 -11.978 640 H ARG 85 H ARG 85 -21.937 12.018 -11.662 641 HA ARG 85 HA ARG 85 -22.639 9.140 -11.725 642 HB2 ARG 85 1HB ARG 85 -20.114 10.594 -12.582 643 HB3 ARG 85 2HB ARG 85 -20.395 8.869 -12.756 644 HG2 ARG 85 1HG ARG 85 -22.092 11.007 -14.065 645 HG3 ARG 85 2HG ARG 85 -20.733 10.159 -14.843 646 HD2 ARG 85 1HD ARG 85 -21.877 8.034 -14.482 647 HD3 ARG 85 2HD ARG 85 -23.246 8.909 -13.757 648 HE ARG 85 HE ARG 85 -22.727 10.009 -16.303 649 HH11 ARG 85 1HH1 ARG 85 -23.895 7.030 -14.854 650 HH12 ARG 85 2HH1 ARG 85 -24.897 6.609 -16.224 651 HH21 ARG 85 1HH2 ARG 85 -24.031 9.452 -18.076 652 HH22 ARG 85 2HH2 ARG 85 -24.975 7.979 -18.049 653 H ALA 86 H ALA 86 -21.737 7.603 -10.439 654 HA ALA 86 HA ALA 86 -20.667 8.446 -7.897 655 HB1 ALA 86 1HB ALA 86 -20.423 6.024 -7.461 656 HB2 ALA 86 2HB ALA 86 -22.031 6.417 -8.116 657 HB3 ALA 86 3HB ALA 86 -20.796 5.687 -9.168 658 H LEU 87 H LEU 87 -18.826 9.660 -8.338 659 HA LEU 87 HA LEU 87 -16.668 8.956 -9.959 660 HB2 LEU 87 1HB LEU 87 -16.943 11.122 -8.765 661 HB3 LEU 87 2HB LEU 87 -16.536 10.320 -7.245 662 HG LEU 87 HG LEU 87 -14.278 9.775 -8.214 663 HD11 LEU 87 1HD1 LEU 87 -13.574 11.000 -10.222 664 HD12 LEU 87 2HD1 LEU 87 -14.900 9.867 -10.574 665 HD13 LEU 87 3HD1 LEU 87 -15.232 11.610 -10.431 666 HD21 LEU 87 1HD2 LEU 87 -13.432 12.084 -7.962 667 HD22 LEU 87 2HD2 LEU 87 -15.089 12.711 -8.140 668 HD23 LEU 87 3HD2 LEU 87 -14.661 11.714 -6.728 669 H ARG 88 H ARG 88 -15.671 7.067 -10.049 670 HA ARG 88 HA ARG 88 -15.050 5.639 -7.523 671 HB2 ARG 88 1HB ARG 88 -16.040 4.316 -9.330 672 HB3 ARG 88 2HB ARG 88 -14.760 4.806 -10.430 673 HG2 ARG 88 1HG ARG 88 -13.108 3.638 -8.991 674 HG3 ARG 88 2HG ARG 88 -14.449 3.082 -7.961 675 HD2 ARG 88 1HD ARG 88 -15.421 1.892 -9.794 676 HD3 ARG 88 2HD ARG 88 -14.195 2.539 -10.909 677 HE ARG 88 HE ARG 88 -12.969 1.170 -8.717 678 HH11 ARG 88 1HH1 ARG 88 -14.696 0.628 -11.728 679 HH12 ARG 88 2HH1 ARG 88 -13.963 -0.935 -12.012 680 HH21 ARG 88 1HH2 ARG 88 -12.025 -0.860 -9.097 681 HH22 ARG 88 2HH2 ARG 88 -12.452 -1.778 -10.523 682 H VAL 89 H VAL 89 -13.162 5.872 -6.569 683 HA VAL 89 HA VAL 89 -10.781 6.401 -8.294 684 HB VAL 89 HB VAL 89 -11.310 7.555 -5.522 685 HG11 VAL 89 1HG1 VAL 89 -9.241 8.811 -5.885 686 HG12 VAL 89 2HG1 VAL 89 -8.961 7.054 -5.875 687 HG13 VAL 89 3HG1 VAL 89 -8.985 7.943 -7.417 688 HG21 VAL 89 1HG2 VAL 89 -11.396 9.723 -6.711 689 HG22 VAL 89 2HG2 VAL 89 -11.210 8.877 -8.265 690 HG23 VAL 89 3HG2 VAL 89 -12.673 8.624 -7.284 691 H ASP 90 H ASP 90 -9.753 4.502 -8.315 692 HA ASP 90 HA ASP 90 -9.010 3.380 -5.650 693 HB2 ASP 90 1HB ASP 90 -9.762 1.845 -8.168 694 HB3 ASP 90 2HB ASP 90 -8.972 1.112 -6.778 695 H ASN 91 H ASN 91 -6.928 2.690 -5.390 696 HA ASN 91 HA ASN 91 -4.984 4.156 -6.814 697 HB2 ASN 91 1HB ASN 91 -4.800 3.107 -4.495 698 HB3 ASN 91 2HB ASN 91 -4.444 1.586 -5.303 699 HD21 ASN 91 1HD2 ASN 91 -1.530 4.180 -4.631 700 HD22 ASN 91 2HD2 ASN 91 -3.087 4.200 -3.873 701 H ALA 92 H ALA 92 -3.764 3.857 -8.556 702 HA ALA 92 HA ALA 92 -4.853 1.999 -10.469 703 HB1 ALA 92 1HB ALA 92 -3.175 2.963 -12.010 704 HB2 ALA 92 2HB ALA 92 -4.065 4.228 -11.130 705 HB3 ALA 92 3HB ALA 92 -2.410 3.800 -10.640 706 H ALA 93 H ALA 93 -2.385 1.748 -8.138 707 HA ALA 93 HA ALA 93 -0.699 -0.115 -9.578 708 HB1 ALA 93 1HB ALA 93 0.354 -0.496 -7.372 709 HB2 ALA 93 2HB ALA 93 0.184 1.239 -7.731 710 HB3 ALA 93 3HB ALA 93 -0.940 0.450 -6.601 711 H SER 94 H SER 94 -3.734 -0.363 -8.077 712 HA SER 94 HA SER 94 -3.612 -3.029 -7.065 713 HB2 SER 94 1HB SER 94 -5.440 -1.525 -6.504 714 HB3 SER 94 2HB SER 94 -5.926 -1.421 -8.189 715 HG SER 94 HG SER 94 -6.814 -3.057 -6.490 716 H GLU 95 H GLU 95 -3.911 -4.998 -7.948 717 HA GLU 95 HA GLU 95 -3.271 -5.273 -10.740 718 HB2 GLU 95 1HB GLU 95 -4.207 -7.306 -8.677 719 HB3 GLU 95 2HB GLU 95 -3.673 -7.725 -10.298 720 HG2 GLU 95 1HG GLU 95 -1.998 -6.373 -8.172 721 HG3 GLU 95 2HG GLU 95 -1.920 -8.071 -8.637 722 H LYS 96 H LYS 96 -6.263 -5.355 -8.891 723 HA LYS 96 HA LYS 96 -7.934 -6.478 -10.912 724 HB2 LYS 96 1HB LYS 96 -8.519 -4.555 -8.632 725 HB3 LYS 96 2HB LYS 96 -9.773 -5.209 -9.676 726 HG2 LYS 96 1HG LYS 96 -9.185 -7.495 -8.970 727 HG3 LYS 96 2HG LYS 96 -7.909 -6.846 -7.931 728 HD2 LYS 96 1HD LYS 96 -9.603 -5.568 -6.652 729 HD3 LYS 96 2HD LYS 96 -10.877 -6.230 -7.687 730 HE2 LYS 96 1HE LYS 96 -10.312 -8.511 -6.946 731 HE3 LYS 96 2HE LYS 96 -9.008 -7.876 -5.941 732 HZ1 LYS 96 1HZ LYS 96 -10.983 -8.285 -4.668 733 HZ2 LYS 96 2HZ LYS 96 -10.650 -6.669 -4.674 734 HZ3 LYS 96 3HZ LYS 96 -11.869 -7.264 -5.613 735 H ASN 97 H ASN 97 -6.928 -3.137 -10.248 736 HA ASN 97 HA ASN 97 -8.525 -1.957 -12.326 737 HB2 ASN 97 1HB ASN 97 -6.007 -1.056 -10.903 738 HB3 ASN 97 2HB ASN 97 -6.805 -0.081 -12.129 739 HD21 ASN 97 1HD2 ASN 97 -7.991 0.865 -8.720 740 HD22 ASN 97 2HD2 ASN 97 -6.434 0.711 -9.465 741 H LYS 98 H LYS 98 -5.265 -3.334 -12.259 742 HA LYS 98 HA LYS 98 -4.507 -2.582 -14.898 743 HB2 LYS 98 1HB LYS 98 -3.740 -4.982 -13.194 744 HB3 LYS 98 2HB LYS 98 -2.995 -4.620 -14.745 745 HG2 LYS 98 1HG LYS 98 -2.181 -2.472 -13.877 746 HG3 LYS 98 2HG LYS 98 -2.965 -2.794 -12.324 747 HD2 LYS 98 1HD LYS 98 -1.574 -4.871 -12.108 748 HD3 LYS 98 2HD LYS 98 -0.732 -4.417 -13.596 749 HE2 LYS 98 1HE LYS 98 0.030 -2.326 -12.554 750 HE3 LYS 98 2HE LYS 98 -0.857 -2.716 -11.079 751 HZ1 LYS 98 1HZ LYS 98 1.453 -3.277 -10.893 752 HZ2 LYS 98 2HZ LYS 98 0.541 -4.649 -10.819 753 HZ3 LYS 98 3HZ LYS 98 1.370 -4.283 -12.197 754 H GLU 99 H GLU 99 -6.339 -5.368 -13.676 755 HA GLU 99 HA GLU 99 -6.503 -6.717 -16.205 756 HB2 GLU 99 1HB GLU 99 -8.237 -6.846 -13.708 757 HB3 GLU 99 2HB GLU 99 -8.477 -7.889 -15.103 758 HG2 GLU 99 1HG GLU 99 -5.967 -7.747 -13.419 759 HG3 GLU 99 2HG GLU 99 -7.214 -8.987 -13.318 760 H GLU 100 H GLU 100 -8.537 -4.297 -14.596 761 HA GLU 100 HA GLU 100 -10.605 -4.238 -16.568 762 HB2 GLU 100 1HB GLU 100 -9.548 -2.122 -14.658 763 HB3 GLU 100 2HB GLU 100 -10.935 -1.856 -15.704 764 HG2 GLU 100 1HG GLU 100 -12.141 -3.682 -14.628 765 HG3 GLU 100 2HG GLU 100 -10.737 -4.047 -13.627 766 H LEU 101 H LEU 101 -7.500 -2.528 -16.297 767 HA LEU 101 HA LEU 101 -7.862 -0.859 -18.587 768 HB2 LEU 101 1HB LEU 101 -5.376 -1.939 -17.223 769 HB3 LEU 101 2HB LEU 101 -5.319 -0.792 -18.565 770 HG LEU 101 HG LEU 101 -6.686 -0.255 -15.905 771 HD11 LEU 101 1HD1 LEU 101 -4.741 1.168 -15.441 772 HD12 LEU 101 2HD1 LEU 101 -4.277 -0.540 -15.627 773 HD13 LEU 101 3HD1 LEU 101 -3.976 0.614 -16.949 774 HD21 LEU 101 1HD2 LEU 101 -6.693 2.074 -16.733 775 HD22 LEU 101 2HD2 LEU 101 -5.955 1.534 -18.260 776 HD23 LEU 101 3HD2 LEU 101 -7.598 1.003 -17.829 777 H LYS 102 H LYS 102 -6.705 -4.172 -18.189 778 HA LYS 102 HA LYS 102 -5.747 -4.561 -20.845 779 HB2 LYS 102 1HB LYS 102 -6.929 -6.479 -18.806 780 HB3 LYS 102 2HB LYS 102 -6.304 -7.012 -20.361 781 HG2 LYS 102 1HG LYS 102 -4.080 -6.147 -19.791 782 HG3 LYS 102 2HG LYS 102 -4.698 -5.549 -18.245 783 HD2 LYS 102 1HD LYS 102 -5.315 -7.878 -17.614 784 HD3 LYS 102 2HD LYS 102 -4.632 -8.455 -19.142 785 HE2 LYS 102 1HE LYS 102 -2.419 -7.591 -18.502 786 HE3 LYS 102 2HE LYS 102 -3.086 -6.953 -16.996 787 HZ1 LYS 102 1HZ LYS 102 -2.013 -9.057 -16.664 788 HZ2 LYS 102 2HZ LYS 102 -3.626 -9.200 -16.351 789 HZ3 LYS 102 3HZ LYS 102 -3.002 -9.797 -17.756 790 H SER 103 H SER 103 -8.988 -4.880 -19.428 791 HA SER 103 HA SER 103 -10.171 -5.833 -21.902 792 HB2 SER 103 1HB SER 103 -12.269 -5.639 -20.752 793 HB3 SER 103 2HB SER 103 -11.093 -6.286 -19.619 794 HG SER 103 HG SER 103 -10.802 -3.858 -19.224 795 H LEU 104 H LEU 104 -9.550 -2.709 -20.442 796 HA LEU 104 HA LEU 104 -11.226 -1.246 -22.323 797 HB2 LEU 104 1HB LEU 104 -9.018 -0.392 -20.423 798 HB3 LEU 104 2HB LEU 104 -9.922 0.736 -21.437 799 HG LEU 104 HG LEU 104 -11.171 -1.049 -19.319 800 HD11 LEU 104 1HD1 LEU 104 -11.337 1.010 -17.995 801 HD12 LEU 104 2HD1 LEU 104 -9.644 0.578 -18.328 802 HD13 LEU 104 3HD1 LEU 104 -10.425 1.888 -19.245 803 HD21 LEU 104 1HD2 LEU 104 -13.120 0.431 -19.664 804 HD22 LEU 104 2HD2 LEU 104 -12.234 1.302 -20.939 805 HD23 LEU 104 3HD2 LEU 104 -12.677 -0.406 -21.172 806 H GLY 105 H GLY 105 -7.941 -2.437 -22.227 807 HA2 GLY 105 1HA GLY 105 -6.484 -2.651 -24.072 808 HA3 GLY 105 2HA GLY 105 -7.547 -1.638 -25.030 809 H THR 106 H THR 106 -6.432 -0.735 -21.808 810 HA THR 106 HA THR 106 -4.893 1.494 -23.067 811 HB THR 106 HB THR 106 -6.283 1.378 -20.355 812 HG1 THR 106 HG1 THR 106 -6.824 2.735 -22.805 813 HG21 THR 106 1HG2 THR 106 -5.625 3.744 -20.163 814 HG22 THR 106 2HG2 THR 106 -4.193 2.693 -20.273 815 HG23 THR 106 3HG2 THR 106 -4.726 3.623 -21.693 Start of MODEL 3 1 H MET 1 1H MET 1 6.700 -2.258 -2.580 2 HA MET 1 HA MET 1 8.216 -0.873 -1.402 3 HB2 MET 1 1HB MET 1 9.459 -2.660 -3.529 4 HB3 MET 1 2HB MET 1 10.294 -2.077 -2.096 5 HG2 MET 1 1HG MET 1 7.842 -3.861 -2.088 6 HG3 MET 1 2HG MET 1 9.509 -4.395 -1.856 7 HE1 MET 1 1HE MET 1 10.482 -2.972 1.596 8 HE2 MET 1 2HE MET 1 10.884 -4.119 0.294 9 HE3 MET 1 3HE MET 1 10.900 -2.368 -0.025 10 H ALA 2 H ALA 2 7.205 0.745 -3.666 11 HA ALA 2 HA ALA 2 9.420 1.797 -5.133 12 HB1 ALA 2 1HB ALA 2 7.921 3.708 -5.602 13 HB2 ALA 2 2HB ALA 2 7.093 2.149 -5.828 14 HB3 ALA 2 3HB ALA 2 6.789 3.113 -4.365 15 H GLY 3 H GLY 3 11.104 2.884 -4.461 16 HA2 GLY 3 1HA GLY 3 12.146 4.758 -3.398 17 HA3 GLY 3 2HA GLY 3 10.786 4.892 -2.299 18 H LEU 4 H LEU 4 11.195 1.708 -2.271 19 HA LEU 4 HA LEU 4 13.132 1.817 -0.005 20 HB2 LEU 4 1HB LEU 4 10.946 -0.192 -0.654 21 HB3 LEU 4 2HB LEU 4 12.065 -0.323 0.707 22 HG LEU 4 HG LEU 4 10.019 1.891 0.315 23 HD11 LEU 4 1HD1 LEU 4 8.861 0.805 2.188 24 HD12 LEU 4 2HD1 LEU 4 8.994 -0.277 0.782 25 HD13 LEU 4 3HD1 LEU 4 10.072 -0.498 2.181 26 HD21 LEU 4 1HD2 LEU 4 10.656 2.506 2.623 27 HD22 LEU 4 2HD2 LEU 4 11.893 1.226 2.623 28 HD23 LEU 4 3HD2 LEU 4 12.051 2.616 1.522 29 H THR 5 H THR 5 12.029 -0.559 -2.459 30 HA THR 5 HA THR 5 14.910 -1.232 -2.888 31 HB THR 5 HB THR 5 14.237 -3.544 -3.399 32 HG1 THR 5 HG1 THR 5 12.211 -3.891 -3.859 33 HG21 THR 5 1HG2 THR 5 13.559 -4.243 -1.136 34 HG22 THR 5 2HG2 THR 5 14.804 -2.974 -1.063 35 HG23 THR 5 3HG2 THR 5 13.100 -2.568 -0.751 36 H VAL 6 H VAL 6 11.906 -0.252 -4.235 37 HA VAL 6 HA VAL 6 12.829 -0.895 -6.988 38 HB VAL 6 HB VAL 6 10.145 0.123 -5.960 39 HG11 VAL 6 1HG1 VAL 6 9.328 -0.295 -8.228 40 HG12 VAL 6 2HG1 VAL 6 10.593 0.956 -8.196 41 HG13 VAL 6 3HG1 VAL 6 10.982 -0.690 -8.751 42 HG21 VAL 6 1HG2 VAL 6 9.361 -2.142 -6.572 43 HG22 VAL 6 2HG2 VAL 6 11.020 -2.589 -7.038 44 HG23 VAL 6 3HG2 VAL 6 10.641 -2.216 -5.339 45 H ARG 7 H ARG 7 13.512 0.603 -8.378 46 HA ARG 7 HA ARG 7 13.305 3.457 -7.510 47 HB2 ARG 7 1HB ARG 7 15.496 2.072 -9.091 48 HB3 ARG 7 2HB ARG 7 15.401 3.808 -8.837 49 HG2 ARG 7 1HG ARG 7 15.613 1.780 -6.599 50 HG3 ARG 7 2HG ARG 7 16.989 2.643 -7.328 51 HD2 ARG 7 1HD ARG 7 15.997 4.764 -6.682 52 HD3 ARG 7 2HD ARG 7 14.628 3.897 -5.946 53 HE ARG 7 HE ARG 7 17.364 4.111 -4.920 54 HH11 ARG 7 1HH1 ARG 7 14.204 2.597 -4.668 55 HH12 ARG 7 2HH1 ARG 7 14.445 2.080 -3.014 56 HH21 ARG 7 1HH2 ARG 7 17.665 3.434 -2.774 57 HH22 ARG 7 2HH2 ARG 7 16.404 2.553 -1.941 58 H ASP 8 H ASP 8 12.003 1.311 -9.588 59 HA ASP 8 HA ASP 8 12.150 2.686 -12.104 60 HB2 ASP 8 1HB ASP 8 11.445 0.297 -11.820 61 HB3 ASP 8 2HB ASP 8 9.956 0.848 -11.063 62 HA PRO 9 HA PRO 9 9.802 6.239 -10.922 63 HB2 PRO 9 1HB PRO 9 9.749 6.437 -13.961 64 HB3 PRO 9 2HB PRO 9 10.068 7.707 -12.772 65 HG2 PRO 9 1HG PRO 9 12.142 6.632 -14.036 66 HG3 PRO 9 2HG PRO 9 12.262 6.905 -12.296 67 HD2 PRO 9 1HD PRO 9 11.681 4.323 -13.797 68 HD3 PRO 9 2HD PRO 9 12.744 4.592 -12.358 69 H ALA 10 H ALA 10 8.927 3.917 -13.474 70 HA ALA 10 HA ALA 10 6.223 4.751 -13.812 71 HB1 ALA 10 1HB ALA 10 5.890 2.528 -14.846 72 HB2 ALA 10 2HB ALA 10 7.377 3.312 -15.431 73 HB3 ALA 10 3HB ALA 10 7.473 2.010 -14.222 74 H VAL 11 H VAL 11 7.708 2.342 -11.660 75 HA VAL 11 HA VAL 11 5.210 1.471 -10.518 76 HB VAL 11 HB VAL 11 8.065 1.335 -9.461 77 HG11 VAL 11 1HG1 VAL 11 7.237 -0.370 -7.914 78 HG12 VAL 11 2HG1 VAL 11 6.487 1.217 -7.620 79 HG13 VAL 11 3HG1 VAL 11 5.573 -0.058 -8.462 80 HG21 VAL 11 1HG2 VAL 11 7.919 -1.019 -10.210 81 HG22 VAL 11 2HG2 VAL 11 6.279 -0.718 -10.830 82 HG23 VAL 11 3HG2 VAL 11 7.674 0.104 -11.567 83 H ASP 12 H ASP 12 7.646 3.898 -9.599 84 HA ASP 12 HA ASP 12 6.529 4.632 -7.099 85 HB2 ASP 12 1HB ASP 12 8.774 5.349 -8.027 86 HB3 ASP 12 2HB ASP 12 7.926 6.483 -9.070 87 H ARG 13 H ARG 13 5.899 5.898 -10.376 88 HA ARG 13 HA ARG 13 3.938 7.817 -9.533 89 HB2 ARG 13 1HB ARG 13 4.420 6.450 -12.199 90 HB3 ARG 13 2HB ARG 13 3.225 7.716 -11.961 91 HG2 ARG 13 1HG ARG 13 5.021 9.272 -11.279 92 HG3 ARG 13 2HG ARG 13 6.217 7.988 -11.582 93 HD2 ARG 13 1HD ARG 13 6.209 9.302 -13.502 94 HD3 ARG 13 2HD ARG 13 5.246 7.864 -13.916 95 HE ARG 13 HE ARG 13 3.718 10.145 -12.935 96 HH11 ARG 13 1HH1 ARG 13 5.022 8.468 -15.732 97 HH12 ARG 13 2HH1 ARG 13 3.882 9.184 -16.850 98 HH21 ARG 13 1HH2 ARG 13 2.243 11.068 -14.395 99 HH22 ARG 13 2HH2 ARG 13 2.309 10.656 -16.094 100 H SER 14 H SER 14 3.754 4.431 -10.584 101 HA SER 14 HA SER 14 0.931 4.221 -10.739 102 HB2 SER 14 1HB SER 14 3.020 2.165 -9.951 103 HB3 SER 14 2HB SER 14 1.338 1.785 -10.285 104 HG SER 14 HG SER 14 3.276 2.866 -12.001 105 H LEU 15 H LEU 15 3.148 3.932 -7.980 106 HA LEU 15 HA LEU 15 1.123 3.178 -6.082 107 HB2 LEU 15 1HB LEU 15 3.512 2.814 -5.666 108 HB3 LEU 15 2HB LEU 15 3.806 4.556 -5.699 109 HG LEU 15 HG LEU 15 2.419 4.814 -3.656 110 HD11 LEU 15 1HD1 LEU 15 1.727 2.808 -2.421 111 HD12 LEU 15 2HD1 LEU 15 0.931 2.910 -4.010 112 HD13 LEU 15 3HD1 LEU 15 2.290 1.787 -3.765 113 HD21 LEU 15 1HD2 LEU 15 4.039 3.741 -2.127 114 HD22 LEU 15 2HD2 LEU 15 4.635 2.732 -3.467 115 HD23 LEU 15 3HD2 LEU 15 4.867 4.496 -3.510 116 H ARG 16 H ARG 16 2.529 6.306 -7.054 117 HA ARG 16 HA ARG 16 1.036 7.717 -4.972 118 HB2 ARG 16 1HB ARG 16 2.852 8.638 -7.217 119 HB3 ARG 16 2HB ARG 16 2.025 9.757 -6.144 120 HG2 ARG 16 1HG ARG 16 3.174 8.668 -4.207 121 HG3 ARG 16 2HG ARG 16 4.097 7.691 -5.375 122 HD2 ARG 16 1HD ARG 16 4.015 10.688 -5.469 123 HD3 ARG 16 2HD ARG 16 5.201 9.778 -4.505 124 HE ARG 16 HE ARG 16 6.146 8.917 -6.504 125 HH11 ARG 16 1HH1 ARG 16 3.593 11.263 -7.065 126 HH12 ARG 16 2HH1 ARG 16 4.076 11.582 -8.715 127 HH21 ARG 16 1HH2 ARG 16 6.765 9.339 -8.648 128 HH22 ARG 16 2HH2 ARG 16 5.872 10.493 -9.612 129 H SER 17 H SER 17 0.411 6.658 -8.145 130 HA SER 17 HA SER 17 -1.678 8.739 -8.545 131 HB2 SER 17 1HB SER 17 -1.798 7.959 -10.827 132 HB3 SER 17 2HB SER 17 -0.115 8.249 -10.416 133 HG SER 17 HG SER 17 0.126 6.059 -10.045 134 H VAL 18 H VAL 18 -3.802 8.048 -9.313 135 HA VAL 18 HA VAL 18 -4.548 5.326 -8.336 136 HB VAL 18 HB VAL 18 -6.676 6.242 -7.507 137 HG11 VAL 18 1HG1 VAL 18 -5.825 7.489 -5.582 138 HG12 VAL 18 2HG1 VAL 18 -4.814 6.073 -5.958 139 HG13 VAL 18 3HG1 VAL 18 -4.266 7.705 -6.412 140 HG21 VAL 18 1HG2 VAL 18 -7.011 8.691 -7.401 141 HG22 VAL 18 2HG2 VAL 18 -5.489 8.936 -8.291 142 HG23 VAL 18 3HG2 VAL 18 -6.866 8.134 -9.084 143 H PHE 19 H PHE 19 -6.419 4.390 -9.337 144 HA PHE 19 HA PHE 19 -6.870 5.418 -12.091 145 HB2 PHE 19 1HB PHE 19 -6.175 3.060 -11.892 146 HB3 PHE 19 2HB PHE 19 -7.535 2.727 -10.831 147 HD1 PHE 19 HD1 PHE 19 -7.196 4.542 -14.094 148 HD2 PHE 19 HD2 PHE 19 -9.092 1.416 -11.883 149 HE1 PHE 19 HE1 PHE 19 -8.596 4.004 -16.059 150 HE2 PHE 19 HE2 PHE 19 -10.492 0.873 -13.847 151 HZ PHE 19 HZ PHE 19 -10.244 2.169 -15.936 152 H VAL 20 H VAL 20 -8.704 6.342 -12.682 153 HA VAL 20 HA VAL 20 -10.926 6.322 -10.683 154 HB VAL 20 HB VAL 20 -10.224 8.467 -12.732 155 HG11 VAL 20 1HG1 VAL 20 -11.869 9.828 -11.537 156 HG12 VAL 20 2HG1 VAL 20 -12.601 8.372 -12.251 157 HG13 VAL 20 3HG1 VAL 20 -12.269 8.436 -10.504 158 HG21 VAL 20 1HG2 VAL 20 -9.512 9.784 -10.762 159 HG22 VAL 20 2HG2 VAL 20 -9.837 8.385 -9.711 160 HG23 VAL 20 3HG2 VAL 20 -8.542 8.301 -10.930 161 H GLY 21 H GLY 21 -12.914 5.727 -11.286 162 HA2 GLY 21 1HA GLY 21 -13.461 5.423 -14.216 163 HA3 GLY 21 2HA GLY 21 -13.877 4.152 -13.082 164 H ASN 22 H ASN 22 -15.962 4.877 -14.410 165 HA ASN 22 HA ASN 22 -18.073 5.791 -14.342 166 HB2 ASN 22 1HB ASN 22 -17.341 6.233 -11.429 167 HB3 ASN 22 2HB ASN 22 -18.953 6.456 -12.095 168 HD21 ASN 22 1HD2 ASN 22 -18.506 3.038 -10.594 169 HD22 ASN 22 2HD2 ASN 22 -18.155 4.637 -10.029 170 H ILE 23 H ILE 23 -15.987 7.424 -15.278 171 HA ILE 23 HA ILE 23 -16.541 10.113 -14.206 172 HB ILE 23 HB ILE 23 -14.734 9.148 -16.461 173 HG12 ILE 23 1HG1 ILE 23 -14.026 10.273 -13.744 174 HG13 ILE 23 2HG1 ILE 23 -14.098 8.556 -14.110 175 HG21 ILE 23 1HG2 ILE 23 -13.854 11.447 -16.483 176 HG22 ILE 23 2HG2 ILE 23 -15.578 11.418 -16.919 177 HG23 ILE 23 3HG2 ILE 23 -15.082 11.932 -15.290 178 HD11 ILE 23 1HD1 ILE 23 -11.813 9.379 -14.212 179 HD12 ILE 23 2HD1 ILE 23 -12.353 8.834 -15.818 180 HD13 ILE 23 3HD1 ILE 23 -12.279 10.573 -15.446 181 HA PRO 24 HA PRO 24 -19.940 10.841 -16.932 182 HB2 PRO 24 1HB PRO 24 -19.026 13.686 -16.371 183 HB3 PRO 24 2HB PRO 24 -20.661 13.014 -16.326 184 HG2 PRO 24 1HG PRO 24 -19.405 13.420 -14.017 185 HG3 PRO 24 2HG PRO 24 -20.308 11.919 -14.241 186 HD2 PRO 24 1HD PRO 24 -17.310 12.406 -14.468 187 HD3 PRO 24 2HD PRO 24 -18.185 11.031 -13.682 188 H TYR 25 H TYR 25 -19.975 11.038 -19.111 189 HA TYR 25 HA TYR 25 -17.517 11.409 -20.556 190 HB2 TYR 25 1HB TYR 25 -20.408 11.268 -21.499 191 HB3 TYR 25 2HB TYR 25 -19.023 11.307 -22.581 192 HD1 TYR 25 HD1 TYR 25 -17.982 9.573 -19.735 193 HD2 TYR 25 HD2 TYR 25 -20.454 9.135 -23.215 194 HE1 TYR 25 HE1 TYR 25 -17.783 7.115 -19.568 195 HE2 TYR 25 HE2 TYR 25 -20.254 6.677 -23.047 196 HH TYR 25 HH TYR 25 -18.274 5.160 -20.515 197 H GLU 26 H GLU 26 -20.146 13.537 -19.662 198 HA GLU 26 HA GLU 26 -19.439 15.615 -21.565 199 HB2 GLU 26 1HB GLU 26 -21.019 17.008 -20.255 200 HB3 GLU 26 2HB GLU 26 -21.724 15.465 -20.715 201 HG2 GLU 26 1HG GLU 26 -20.425 15.752 -18.026 202 HG3 GLU 26 2HG GLU 26 -22.031 16.423 -18.302 203 H ALA 27 H ALA 27 -18.077 14.518 -18.664 204 HA ALA 27 HA ALA 27 -17.078 17.067 -17.715 205 HB1 ALA 27 1HB ALA 27 -15.638 15.686 -16.253 206 HB2 ALA 27 2HB ALA 27 -17.336 15.155 -16.198 207 HB3 ALA 27 3HB ALA 27 -16.145 14.231 -17.142 208 H THR 28 H THR 28 -15.066 17.975 -17.907 209 HA THR 28 HA THR 28 -13.541 17.018 -20.283 210 HB THR 28 HB THR 28 -12.681 19.296 -20.486 211 HG1 THR 28 HG1 THR 28 -13.751 20.855 -18.924 212 HG21 THR 28 1HG2 THR 28 -14.783 20.504 -20.923 213 HG22 THR 28 2HG2 THR 28 -14.887 18.822 -21.492 214 HG23 THR 28 3HG2 THR 28 -15.680 19.297 -19.972 215 H GLU 29 H GLU 29 -11.161 17.597 -20.219 216 HA GLU 29 HA GLU 29 -9.943 16.186 -18.049 217 HB2 GLU 29 1HB GLU 29 -8.792 17.978 -20.220 218 HB3 GLU 29 2HB GLU 29 -7.790 17.123 -19.055 219 HG2 GLU 29 1HG GLU 29 -8.634 14.979 -19.853 220 HG3 GLU 29 2HG GLU 29 -9.725 15.799 -20.968 221 H GLU 30 H GLU 30 -10.298 19.647 -18.772 222 HA GLU 30 HA GLU 30 -8.714 20.549 -16.549 223 HB2 GLU 30 1HB GLU 30 -10.905 21.896 -18.174 224 HB3 GLU 30 2HB GLU 30 -9.985 22.721 -16.924 225 HG2 GLU 30 1HG GLU 30 -7.911 22.336 -18.158 226 HG3 GLU 30 2HG GLU 30 -8.794 21.441 -19.393 227 H GLN 31 H GLN 31 -12.156 19.813 -16.967 228 HA GLN 31 HA GLN 31 -12.999 20.746 -14.397 229 HB2 GLN 31 1HB GLN 31 -14.542 20.211 -16.290 230 HB3 GLN 31 2HB GLN 31 -14.174 18.504 -16.090 231 HG2 GLN 31 1HG GLN 31 -16.272 18.976 -15.047 232 HG3 GLN 31 2HG GLN 31 -15.073 18.623 -13.771 233 HE21 GLN 31 1HE2 GLN 31 -15.904 21.505 -12.049 234 HE22 GLN 31 2HE2 GLN 31 -15.497 19.821 -12.042 235 H LEU 32 H LEU 32 -11.878 17.563 -15.539 236 HA LEU 32 HA LEU 32 -12.198 16.214 -13.045 237 HB2 LEU 32 1HB LEU 32 -10.347 15.748 -15.401 238 HB3 LEU 32 2HB LEU 32 -10.410 14.668 -14.005 239 HG LEU 32 HG LEU 32 -12.775 15.279 -15.811 240 HD11 LEU 32 1HD1 LEU 32 -12.379 13.034 -16.722 241 HD12 LEU 32 2HD1 LEU 32 -11.002 14.119 -17.025 242 HD13 LEU 32 3HD1 LEU 32 -10.904 12.895 -15.737 243 HD21 LEU 32 1HD2 LEU 32 -13.766 13.334 -14.651 244 HD22 LEU 32 2HD2 LEU 32 -12.310 13.198 -13.636 245 HD23 LEU 32 3HD2 LEU 32 -13.360 14.629 -13.499 246 H LYS 33 H LYS 33 -9.498 18.061 -14.436 247 HA LYS 33 HA LYS 33 -7.578 17.605 -12.424 248 HB2 LYS 33 1HB LYS 33 -7.134 18.831 -14.538 249 HB3 LYS 33 2HB LYS 33 -8.108 20.178 -13.964 250 HG2 LYS 33 1HG LYS 33 -6.526 20.557 -12.119 251 HG3 LYS 33 2HG LYS 33 -5.553 19.185 -12.667 252 HD2 LYS 33 1HD LYS 33 -5.158 20.312 -14.826 253 HD3 LYS 33 2HD LYS 33 -6.157 21.676 -14.304 254 HE2 LYS 33 1HE LYS 33 -4.589 22.096 -12.429 255 HE3 LYS 33 2HE LYS 33 -3.585 20.749 -12.972 256 HZ1 LYS 33 1HZ LYS 33 -2.754 22.842 -13.758 257 HZ2 LYS 33 2HZ LYS 33 -3.236 21.919 -15.038 258 HZ3 LYS 33 3HZ LYS 33 -4.173 23.178 -14.529 259 H ASP 34 H ASP 34 -10.174 20.050 -12.552 260 HA ASP 34 HA ASP 34 -9.568 21.227 -10.016 261 HB2 ASP 34 1HB ASP 34 -12.125 21.082 -11.652 262 HB3 ASP 34 2HB ASP 34 -12.026 21.954 -10.128 263 H ILE 35 H ILE 35 -11.794 18.610 -10.972 264 HA ILE 35 HA ILE 35 -12.963 18.206 -8.420 265 HB ILE 35 HB ILE 35 -12.497 16.295 -10.741 266 HG12 ILE 35 1HG1 ILE 35 -13.986 18.178 -11.195 267 HG13 ILE 35 2HG1 ILE 35 -14.848 16.648 -11.193 268 HG21 ILE 35 1HG2 ILE 35 -14.122 14.807 -9.642 269 HG22 ILE 35 2HG2 ILE 35 -12.666 15.014 -8.641 270 HG23 ILE 35 3HG2 ILE 35 -14.160 15.887 -8.228 271 HD11 ILE 35 1HD1 ILE 35 -16.138 18.382 -10.079 272 HD12 ILE 35 2HD1 ILE 35 -15.680 17.104 -8.927 273 HD13 ILE 35 3HD1 ILE 35 -14.808 18.656 -8.929 274 H PHE 36 H PHE 36 -9.980 16.936 -9.853 275 HA PHE 36 HA PHE 36 -9.590 15.043 -7.657 276 HB2 PHE 36 1HB PHE 36 -7.780 15.853 -9.968 277 HB3 PHE 36 2HB PHE 36 -7.429 14.565 -8.826 278 HD1 PHE 36 HD1 PHE 36 -10.628 13.947 -8.804 279 HD2 PHE 36 HD2 PHE 36 -7.525 14.117 -11.737 280 HE1 PHE 36 HE1 PHE 36 -11.878 12.350 -10.218 281 HE2 PHE 36 HE2 PHE 36 -8.774 12.523 -13.154 282 HZ PHE 36 HZ PHE 36 -10.951 11.638 -12.393 283 H SER 37 H SER 37 -8.108 18.088 -8.771 284 HA SER 37 HA SER 37 -6.020 18.071 -6.797 285 HB2 SER 37 1HB SER 37 -5.608 20.353 -7.494 286 HB3 SER 37 2HB SER 37 -5.933 19.365 -8.911 287 HG SER 37 HG SER 37 -7.882 20.220 -9.104 288 H GLU 38 H GLU 38 -9.354 19.104 -6.776 289 HA GLU 38 HA GLU 38 -9.358 20.901 -4.616 290 HB2 GLU 38 1HB GLU 38 -11.346 20.360 -6.009 291 HB3 GLU 38 2HB GLU 38 -11.429 18.766 -5.272 292 HG2 GLU 38 1HG GLU 38 -11.883 19.760 -3.092 293 HG3 GLU 38 2HG GLU 38 -11.711 21.377 -3.770 294 H VAL 39 H VAL 39 -9.003 17.398 -4.629 295 HA VAL 39 HA VAL 39 -9.307 17.407 -1.655 296 HB VAL 39 HB VAL 39 -10.041 15.040 -1.890 297 HG11 VAL 39 1HG1 VAL 39 -12.251 15.497 -2.836 298 HG12 VAL 39 2HG1 VAL 39 -11.701 16.807 -1.764 299 HG13 VAL 39 3HG1 VAL 39 -11.638 17.017 -3.531 300 HG21 VAL 39 1HG2 VAL 39 -10.601 14.182 -4.142 301 HG22 VAL 39 2HG2 VAL 39 -9.932 15.662 -4.871 302 HG23 VAL 39 3HG2 VAL 39 -8.863 14.535 -4.002 303 H GLY 40 H GLY 40 -6.893 17.708 -3.543 304 HA2 GLY 40 1HA GLY 40 -4.933 16.828 -1.846 305 HA3 GLY 40 2HA GLY 40 -5.246 15.391 -2.802 306 HA PRO 41 HA PRO 41 -2.594 18.857 -4.930 307 HB2 PRO 41 1HB PRO 41 -0.313 17.166 -3.849 308 HB3 PRO 41 2HB PRO 41 -0.374 18.913 -4.113 309 HG2 PRO 41 1HG PRO 41 -0.636 18.008 -1.626 310 HG3 PRO 41 2HG PRO 41 -1.704 19.303 -2.176 311 HD2 PRO 41 1HD PRO 41 -2.271 16.318 -1.948 312 HD3 PRO 41 2HD PRO 41 -3.315 17.715 -1.468 313 H VAL 42 H VAL 42 -2.666 18.320 -7.025 314 HA VAL 42 HA VAL 42 -2.070 15.504 -7.803 315 HB VAL 42 HB VAL 42 -3.617 17.704 -9.238 316 HG11 VAL 42 1HG1 VAL 42 -4.126 16.016 -10.935 317 HG12 VAL 42 2HG1 VAL 42 -2.384 16.370 -10.849 318 HG13 VAL 42 3HG1 VAL 42 -3.026 14.874 -10.129 319 HG21 VAL 42 1HG2 VAL 42 -5.531 16.173 -8.896 320 HG22 VAL 42 2HG2 VAL 42 -4.469 15.042 -8.024 321 HG23 VAL 42 3HG2 VAL 42 -4.805 16.653 -7.344 322 H VAL 43 H VAL 43 -0.368 15.017 -9.023 323 HA VAL 43 HA VAL 43 1.352 17.224 -9.977 324 HB VAL 43 HB VAL 43 1.772 14.205 -9.920 325 HG11 VAL 43 1HG1 VAL 43 4.101 14.697 -10.484 326 HG12 VAL 43 2HG1 VAL 43 2.983 15.204 -11.772 327 HG13 VAL 43 3HG1 VAL 43 3.690 16.417 -10.678 328 HG21 VAL 43 1HG2 VAL 43 3.373 14.744 -8.113 329 HG22 VAL 43 2HG2 VAL 43 2.931 16.464 -8.236 330 HG23 VAL 43 3HG2 VAL 43 1.726 15.272 -7.692 331 H SER 44 H SER 44 -0.400 14.385 -11.235 332 HA SER 44 HA SER 44 -0.695 15.744 -13.818 333 HB2 SER 44 1HB SER 44 0.369 14.097 -15.159 334 HB3 SER 44 2HB SER 44 1.527 14.534 -13.912 335 HG SER 44 HG SER 44 1.388 12.650 -13.085 336 H PHE 45 H PHE 45 -1.854 14.143 -15.400 337 HA PHE 45 HA PHE 45 -3.490 12.098 -14.147 338 HB2 PHE 45 1HB PHE 45 -5.670 13.214 -14.525 339 HB3 PHE 45 2HB PHE 45 -4.709 14.044 -13.311 340 HD1 PHE 45 HD1 PHE 45 -6.097 14.218 -16.695 341 HD2 PHE 45 HD2 PHE 45 -3.769 16.241 -13.739 342 HE1 PHE 45 HE1 PHE 45 -6.343 16.333 -17.951 343 HE2 PHE 45 HE2 PHE 45 -4.015 18.359 -14.991 344 HZ PHE 45 HZ PHE 45 -5.301 18.404 -17.099 345 H ARG 46 H ARG 46 -5.168 11.258 -15.693 346 HA ARG 46 HA ARG 46 -4.478 11.764 -18.527 347 HB2 ARG 46 1HB ARG 46 -2.915 10.001 -17.813 348 HB3 ARG 46 2HB ARG 46 -4.254 9.033 -17.214 349 HG2 ARG 46 1HG ARG 46 -5.125 8.773 -19.477 350 HG3 ARG 46 2HG ARG 46 -3.829 9.817 -20.109 351 HD2 ARG 46 1HD ARG 46 -2.166 8.239 -19.349 352 HD3 ARG 46 2HD ARG 46 -3.442 7.204 -18.668 353 HE ARG 46 HE ARG 46 -3.953 7.697 -21.424 354 HH11 ARG 46 1HH1 ARG 46 -1.806 5.898 -19.304 355 HH12 ARG 46 2HH1 ARG 46 -1.507 4.633 -20.474 356 HH21 ARG 46 1HH2 ARG 46 -3.557 6.048 -22.934 357 HH22 ARG 46 2HH2 ARG 46 -2.497 4.717 -22.529 358 H LEU 47 H LEU 47 -6.135 11.458 -19.908 359 HA LEU 47 HA LEU 47 -8.650 10.345 -18.752 360 HB2 LEU 47 1HB LEU 47 -8.866 12.639 -19.530 361 HB3 LEU 47 2HB LEU 47 -8.169 12.216 -21.097 362 HG LEU 47 HG LEU 47 -10.168 10.747 -21.517 363 HD11 LEU 47 1HD1 LEU 47 -12.137 11.063 -20.086 364 HD12 LEU 47 2HD1 LEU 47 -10.779 10.347 -19.187 365 HD13 LEU 47 3HD1 LEU 47 -11.173 12.070 -18.981 366 HD21 LEU 47 1HD2 LEU 47 -11.678 12.650 -21.976 367 HD22 LEU 47 2HD2 LEU 47 -10.707 13.681 -20.897 368 HD23 LEU 47 3HD2 LEU 47 -9.996 13.049 -22.402 369 H VAL 48 H VAL 48 -9.325 8.429 -19.392 370 HA VAL 48 HA VAL 48 -8.206 7.266 -21.880 371 HB VAL 48 HB VAL 48 -9.947 6.028 -19.704 372 HG11 VAL 48 1HG1 VAL 48 -9.385 3.889 -20.750 373 HG12 VAL 48 2HG1 VAL 48 -10.298 4.950 -21.850 374 HG13 VAL 48 3HG1 VAL 48 -8.541 4.751 -22.058 375 HG21 VAL 48 1HG2 VAL 48 -7.859 4.869 -19.057 376 HG22 VAL 48 2HG2 VAL 48 -6.973 5.768 -20.311 377 HG23 VAL 48 3HG2 VAL 48 -7.681 6.634 -18.927 378 H TYR 49 H TYR 49 -9.274 7.362 -23.726 379 HA TYR 49 HA TYR 49 -12.225 7.450 -23.733 380 HB2 TYR 49 1HB TYR 49 -12.352 9.525 -24.993 381 HB3 TYR 49 2HB TYR 49 -11.520 9.824 -23.473 382 HD1 TYR 49 HD1 TYR 49 -11.252 9.786 -27.100 383 HD2 TYR 49 HD2 TYR 49 -9.070 10.174 -23.427 384 HE1 TYR 49 HE1 TYR 49 -9.351 10.772 -28.333 385 HE2 TYR 49 HE2 TYR 49 -7.169 11.161 -24.660 386 HH TYR 49 HH TYR 49 -6.398 11.823 -26.629 387 H ASP 50 H ASP 50 -13.143 7.322 -25.900 388 HA ASP 50 HA ASP 50 -11.584 5.539 -27.603 389 HB2 ASP 50 1HB ASP 50 -14.037 5.257 -27.274 390 HB3 ASP 50 2HB ASP 50 -14.316 6.808 -28.055 391 H ARG 51 H ARG 51 -10.075 6.246 -28.925 392 HA ARG 51 HA ARG 51 -9.923 9.030 -29.705 393 HB2 ARG 51 1HB ARG 51 -8.336 6.590 -30.565 394 HB3 ARG 51 2HB ARG 51 -7.974 8.227 -31.089 395 HG2 ARG 51 1HG ARG 51 -7.512 8.902 -28.796 396 HG3 ARG 51 2HG ARG 51 -7.968 7.283 -28.211 397 HD2 ARG 51 1HD ARG 51 -5.752 7.831 -30.168 398 HD3 ARG 51 2HD ARG 51 -5.537 7.647 -28.412 399 HE ARG 51 HE ARG 51 -6.932 5.396 -29.253 400 HH11 ARG 51 1HH1 ARG 51 -3.830 6.896 -29.935 401 HH12 ARG 51 2HH1 ARG 51 -3.035 5.380 -30.297 402 HH21 ARG 51 1HH2 ARG 51 -5.890 3.434 -29.725 403 HH22 ARG 51 2HH2 ARG 51 -4.200 3.420 -30.178 404 H GLU 52 H GLU 52 -11.489 6.268 -30.988 405 HA GLU 52 HA GLU 52 -11.388 7.082 -33.780 406 HB2 GLU 52 1HB GLU 52 -11.676 4.711 -33.104 407 HB3 GLU 52 2HB GLU 52 -13.217 5.107 -32.355 408 HG2 GLU 52 1HG GLU 52 -13.631 4.096 -34.477 409 HG3 GLU 52 2HG GLU 52 -14.093 5.794 -34.568 410 H THR 53 H THR 53 -13.743 7.337 -31.126 411 HA THR 53 HA THR 53 -15.494 8.930 -32.942 412 HB THR 53 HB THR 53 -17.319 8.443 -31.346 413 HG1 THR 53 HG1 THR 53 -15.804 6.541 -29.983 414 HG21 THR 53 1HG2 THR 53 -17.500 6.021 -31.759 415 HG22 THR 53 2HG2 THR 53 -16.901 6.869 -33.204 416 HG23 THR 53 3HG2 THR 53 -15.772 5.958 -32.176 417 H GLY 54 H GLY 54 -13.578 9.019 -30.042 418 HA2 GLY 54 1HA GLY 54 -12.761 11.047 -29.087 419 HA3 GLY 54 2HA GLY 54 -14.069 11.935 -29.847 420 H LYS 55 H LYS 55 -15.355 9.138 -28.546 421 HA LYS 55 HA LYS 55 -16.565 10.674 -26.346 422 HB2 LYS 55 1HB LYS 55 -17.959 9.245 -27.844 423 HB3 LYS 55 2HB LYS 55 -17.089 7.824 -27.283 424 HG2 LYS 55 1HG LYS 55 -17.909 8.239 -24.982 425 HG3 LYS 55 2HG LYS 55 -18.811 9.642 -25.574 426 HD2 LYS 55 1HD LYS 55 -19.182 6.832 -26.666 427 HD3 LYS 55 2HD LYS 55 -20.156 7.508 -25.353 428 HE2 LYS 55 1HE LYS 55 -20.829 9.381 -26.865 429 HE3 LYS 55 2HE LYS 55 -19.927 8.615 -28.175 430 HZ1 LYS 55 1HZ LYS 55 -22.245 8.062 -28.261 431 HZ2 LYS 55 2HZ LYS 55 -21.360 6.702 -27.967 432 HZ3 LYS 55 3HZ LYS 55 -22.204 7.417 -26.744 433 HA PRO 56 HA PRO 56 -13.695 9.230 -23.331 434 HB2 PRO 56 1HB PRO 56 -16.050 9.969 -21.558 435 HB3 PRO 56 2HB PRO 56 -14.343 10.393 -21.374 436 HG2 PRO 56 1HG PRO 56 -16.006 12.246 -22.310 437 HG3 PRO 56 2HG PRO 56 -14.426 12.056 -23.076 438 HD2 PRO 56 1HD PRO 56 -17.138 11.009 -23.989 439 HD3 PRO 56 2HD PRO 56 -15.831 11.791 -24.966 440 H LYS 57 H LYS 57 -13.464 7.336 -22.156 441 HA LYS 57 HA LYS 57 -15.666 5.377 -22.391 442 HB2 LYS 57 1HB LYS 57 -12.760 5.094 -21.533 443 HB3 LYS 57 2HB LYS 57 -13.911 3.765 -21.552 444 HG2 LYS 57 1HG LYS 57 -14.225 4.124 -24.006 445 HG3 LYS 57 2HG LYS 57 -12.965 5.365 -23.945 446 HD2 LYS 57 1HD LYS 57 -11.351 3.694 -23.102 447 HD3 LYS 57 2HD LYS 57 -12.611 2.452 -23.145 448 HE2 LYS 57 1HE LYS 57 -12.841 2.792 -25.596 449 HE3 LYS 57 2HE LYS 57 -11.552 3.997 -25.541 450 HZ1 LYS 57 1HZ LYS 57 -10.732 1.856 -26.199 451 HZ2 LYS 57 2HZ LYS 57 -10.066 2.286 -24.752 452 HZ3 LYS 57 3HZ LYS 57 -11.271 1.160 -24.804 453 H GLY 58 H GLY 58 -14.508 7.606 -20.145 454 HA2 GLY 58 1HA GLY 58 -15.648 8.057 -18.103 455 HA3 GLY 58 2HA GLY 58 -16.271 6.418 -18.086 456 H TYR 59 H TYR 59 -12.926 6.697 -18.847 457 HA TYR 59 HA TYR 59 -12.189 6.082 -16.020 458 HB2 TYR 59 1HB TYR 59 -11.111 4.681 -18.501 459 HB3 TYR 59 2HB TYR 59 -10.599 4.385 -16.845 460 HD1 TYR 59 HD1 TYR 59 -12.970 3.580 -19.420 461 HD2 TYR 59 HD2 TYR 59 -12.293 3.474 -15.184 462 HE1 TYR 59 HE1 TYR 59 -14.733 1.864 -19.180 463 HE2 TYR 59 HE2 TYR 59 -14.055 1.757 -14.945 464 HH TYR 59 HH TYR 59 -15.503 0.448 -16.000 465 H GLY 60 H GLY 60 -9.986 6.486 -15.448 466 HA2 GLY 60 1HA GLY 60 -8.116 7.737 -17.224 467 HA3 GLY 60 2HA GLY 60 -8.974 8.982 -16.336 468 H PHE 61 H PHE 61 -6.496 9.138 -15.760 469 HA PHE 61 HA PHE 61 -6.164 7.696 -13.166 470 HB2 PHE 61 1HB PHE 61 -3.990 8.340 -15.198 471 HB3 PHE 61 2HB PHE 61 -3.702 7.699 -13.588 472 HD1 PHE 61 HD1 PHE 61 -5.051 6.957 -16.928 473 HD2 PHE 61 HD2 PHE 61 -4.120 5.391 -13.064 474 HE1 PHE 61 HE1 PHE 61 -5.302 4.658 -17.801 475 HE2 PHE 61 HE2 PHE 61 -4.367 3.090 -13.934 476 HZ PHE 61 HZ PHE 61 -4.960 2.725 -16.303 477 H CYS 62 H CYS 62 -4.857 8.799 -11.584 478 HA CYS 62 HA CYS 62 -4.324 11.662 -12.114 479 HB2 CYS 62 1HB CYS 62 -6.623 11.558 -11.152 480 HB3 CYS 62 2HB CYS 62 -5.987 10.711 -9.749 481 HG CYS 62 HG CYS 62 -5.139 13.692 -10.834 482 H GLU 63 H GLU 63 -2.273 11.945 -11.609 483 HA GLU 63 HA GLU 63 -1.032 10.273 -9.513 484 HB2 GLU 63 1HB GLU 63 0.169 10.595 -11.647 485 HB3 GLU 63 2HB GLU 63 0.159 12.337 -11.409 486 HG2 GLU 63 1HG GLU 63 1.537 12.052 -9.374 487 HG3 GLU 63 2HG GLU 63 1.574 10.314 -9.660 488 H TYR 64 H TYR 64 -0.576 10.907 -7.524 489 HA TYR 64 HA TYR 64 -1.032 13.788 -6.877 490 HB2 TYR 64 1HB TYR 64 -1.413 11.279 -5.200 491 HB3 TYR 64 2HB TYR 64 -1.435 12.901 -4.522 492 HD1 TYR 64 HD1 TYR 64 -3.174 10.549 -6.773 493 HD2 TYR 64 HD2 TYR 64 -3.308 14.365 -4.815 494 HE1 TYR 64 HE1 TYR 64 -5.577 10.746 -7.320 495 HE2 TYR 64 HE2 TYR 64 -5.710 14.562 -5.362 496 HH TYR 64 HH TYR 64 -7.443 13.640 -6.394 497 H GLN 65 H GLN 65 0.158 14.530 -4.883 498 HA GLN 65 HA GLN 65 2.897 14.562 -5.583 499 HB2 GLN 65 1HB GLN 65 1.734 16.342 -4.275 500 HB3 GLN 65 2HB GLN 65 1.646 15.257 -2.895 501 HG2 GLN 65 1HG GLN 65 3.460 16.789 -2.584 502 HG3 GLN 65 2HG GLN 65 4.128 15.155 -2.856 503 HE21 GLN 65 1HE2 GLN 65 6.259 16.319 -5.319 504 HE22 GLN 65 2HE2 GLN 65 5.968 15.297 -3.950 505 H ASP 66 H ASP 66 1.179 12.696 -3.093 506 HA ASP 66 HA ASP 66 3.352 10.713 -3.207 507 HB2 ASP 66 1HB ASP 66 3.641 10.621 -0.767 508 HB3 ASP 66 2HB ASP 66 4.100 12.199 -1.392 509 H GLN 67 H GLN 67 2.756 8.870 -1.539 510 HA GLN 67 HA GLN 67 0.261 7.861 -2.607 511 HB2 GLN 67 1HB GLN 67 0.813 5.804 -1.454 512 HB3 GLN 67 2HB GLN 67 2.276 6.435 -2.198 513 HG2 GLN 67 1HG GLN 67 1.686 7.127 0.655 514 HG3 GLN 67 2HG GLN 67 2.309 5.506 0.239 515 HE21 GLN 67 1HE2 GLN 67 5.491 6.898 0.697 516 HE22 GLN 67 2HE2 GLN 67 4.267 5.839 1.317 517 H GLU 68 H GLU 68 1.147 9.584 0.235 518 HA GLU 68 HA GLU 68 -1.069 8.677 1.876 519 HB2 GLU 68 1HB GLU 68 0.747 11.113 2.051 520 HB3 GLU 68 2HB GLU 68 -0.483 10.728 3.246 521 HG2 GLU 68 1HG GLU 68 1.877 8.976 2.522 522 HG3 GLU 68 2HG GLU 68 1.760 10.023 3.936 523 H THR 69 H THR 69 -0.460 11.485 -0.229 524 HA THR 69 HA THR 69 -3.136 12.559 0.181 525 HB THR 69 HB THR 69 -2.545 14.054 -1.749 526 HG1 THR 69 HG1 THR 69 -0.082 12.604 -1.673 527 HG21 THR 69 1HG2 THR 69 -0.719 15.240 -0.597 528 HG22 THR 69 2HG2 THR 69 -1.943 14.676 0.565 529 HG23 THR 69 3HG2 THR 69 -0.405 13.799 0.397 530 H ALA 70 H ALA 70 -1.617 10.286 -2.000 531 HA ALA 70 HA ALA 70 -3.699 10.231 -3.966 532 HB1 ALA 70 1HB ALA 70 -2.754 8.030 -4.582 533 HB2 ALA 70 2HB ALA 70 -1.483 9.259 -4.376 534 HB3 ALA 70 3HB ALA 70 -1.766 8.049 -3.103 535 H LEU 71 H LEU 71 -3.112 8.254 -1.051 536 HA LEU 71 HA LEU 71 -5.505 6.678 -1.432 537 HB2 LEU 71 1HB LEU 71 -3.682 7.106 0.957 538 HB3 LEU 71 2HB LEU 71 -5.051 5.990 0.965 539 HG LEU 71 HG LEU 71 -2.665 5.789 -0.907 540 HD11 LEU 71 1HD1 LEU 71 -1.999 3.903 0.517 541 HD12 LEU 71 2HD1 LEU 71 -2.025 5.434 1.423 542 HD13 LEU 71 3HD1 LEU 71 -3.348 4.260 1.621 543 HD21 LEU 71 1HD2 LEU 71 -3.608 3.553 -1.378 544 HD22 LEU 71 2HD2 LEU 71 -4.981 3.904 -0.301 545 HD23 LEU 71 3HD2 LEU 71 -4.765 4.838 -1.801 546 H SER 72 H SER 72 -4.680 9.568 0.445 547 HA SER 72 HA SER 72 -7.156 9.786 1.851 548 HB2 SER 72 1HB SER 72 -5.194 11.909 0.925 549 HB3 SER 72 2HB SER 72 -6.541 12.216 2.010 550 HG SER 72 HG SER 72 -4.247 10.680 2.388 551 H ALA 73 H ALA 73 -6.064 11.209 -1.244 552 HA ALA 73 HA ALA 73 -8.590 12.439 -1.828 553 HB1 ALA 73 1HB ALA 73 -7.699 12.649 -4.127 554 HB2 ALA 73 2HB ALA 73 -6.505 13.156 -2.908 555 HB3 ALA 73 3HB ALA 73 -6.354 11.569 -3.695 556 H MET 74 H MET 74 -7.198 9.268 -2.565 557 HA MET 74 HA MET 74 -9.180 8.275 -4.291 558 HB2 MET 74 1HB MET 74 -7.134 7.033 -3.742 559 HB3 MET 74 2HB MET 74 -7.661 6.841 -2.077 560 HG2 MET 74 1HG MET 74 -9.362 5.778 -4.320 561 HG3 MET 74 2HG MET 74 -7.943 4.883 -3.770 562 HE1 MET 74 1HE MET 74 -8.788 3.996 -0.093 563 HE2 MET 74 2HE MET 74 -7.702 3.712 -1.476 564 HE3 MET 74 3HE MET 74 -7.767 5.318 -0.708 565 H ARG 75 H ARG 75 -9.151 8.285 -0.719 566 HA ARG 75 HA ARG 75 -11.760 7.110 -0.466 567 HB2 ARG 75 1HB ARG 75 -10.100 8.809 1.419 568 HB3 ARG 75 2HB ARG 75 -11.650 8.113 1.865 569 HG2 ARG 75 1HG ARG 75 -10.778 5.863 1.549 570 HG3 ARG 75 2HG ARG 75 -9.223 6.526 0.990 571 HD2 ARG 75 1HD ARG 75 -8.898 7.587 3.147 572 HD3 ARG 75 2HD ARG 75 -10.453 6.931 3.706 573 HE ARG 75 HE ARG 75 -8.977 4.752 2.811 574 HH11 ARG 75 1HH1 ARG 75 -8.647 7.249 5.259 575 HH12 ARG 75 2HH1 ARG 75 -7.716 6.239 6.343 576 HH21 ARG 75 1HH2 ARG 75 -7.768 3.451 4.226 577 HH22 ARG 75 2HH2 ARG 75 -7.218 4.089 5.759 578 H ASN 76 H ASN 76 -10.586 10.423 -0.804 579 HA ASN 76 HA ASN 76 -13.095 11.677 -0.125 580 HB2 ASN 76 1HB ASN 76 -10.639 12.635 -1.618 581 HB3 ASN 76 2HB ASN 76 -12.042 13.659 -1.345 582 HD21 ASN 76 1HD2 ASN 76 -9.443 14.067 1.344 583 HD22 ASN 76 2HD2 ASN 76 -9.365 14.053 -0.386 584 H LEU 77 H LEU 77 -11.707 10.414 -3.098 585 HA LEU 77 HA LEU 77 -13.830 11.669 -4.713 586 HB2 LEU 77 1HB LEU 77 -11.481 9.883 -5.431 587 HB3 LEU 77 2HB LEU 77 -12.641 10.507 -6.608 588 HG LEU 77 HG LEU 77 -10.840 12.232 -4.871 589 HD11 LEU 77 1HD1 LEU 77 -9.579 12.600 -6.944 590 HD12 LEU 77 2HD1 LEU 77 -9.558 10.889 -6.457 591 HD13 LEU 77 3HD1 LEU 77 -10.617 11.424 -7.784 592 HD21 LEU 77 1HD2 LEU 77 -11.578 14.021 -6.409 593 HD22 LEU 77 2HD2 LEU 77 -12.645 12.865 -7.242 594 HD23 LEU 77 3HD2 LEU 77 -12.962 13.306 -5.548 595 H ASN 78 H ASN 78 -12.844 8.475 -3.549 596 HA ASN 78 HA ASN 78 -14.702 7.003 -5.184 597 HB2 ASN 78 1HB ASN 78 -12.678 6.011 -4.136 598 HB3 ASN 78 2HB ASN 78 -13.410 6.216 -2.551 599 HD21 ASN 78 1HD2 ASN 78 -14.019 2.842 -4.380 600 HD22 ASN 78 2HD2 ASN 78 -12.660 3.906 -4.523 601 H GLY 79 H GLY 79 -16.799 7.268 -5.130 602 HA2 GLY 79 1HA GLY 79 -18.899 6.822 -3.996 603 HA3 GLY 79 2HA GLY 79 -18.156 7.271 -2.472 604 H ARG 80 H ARG 80 -16.916 9.500 -4.467 605 HA ARG 80 HA ARG 80 -18.794 11.555 -3.599 606 HB2 ARG 80 1HB ARG 80 -16.353 11.955 -3.664 607 HB3 ARG 80 2HB ARG 80 -16.359 11.738 -5.407 608 HG2 ARG 80 1HG ARG 80 -17.820 13.713 -5.645 609 HG3 ARG 80 2HG ARG 80 -17.769 13.941 -3.880 610 HD2 ARG 80 1HD ARG 80 -15.357 14.196 -3.985 611 HD3 ARG 80 2HD ARG 80 -15.410 13.973 -5.749 612 HE ARG 80 HE ARG 80 -17.155 16.085 -4.904 613 HH11 ARG 80 1HH1 ARG 80 -13.784 15.299 -5.502 614 HH12 ARG 80 2HH1 ARG 80 -13.332 16.950 -5.862 615 HH21 ARG 80 1HH2 ARG 80 -16.557 18.225 -5.373 616 HH22 ARG 80 2HH2 ARG 80 -14.901 18.607 -5.789 617 H GLU 81 H GLU 81 -20.491 12.297 -4.654 618 HA GLU 81 HA GLU 81 -21.164 11.271 -7.280 619 HB2 GLU 81 1HB GLU 81 -22.874 11.771 -5.543 620 HB3 GLU 81 2HB GLU 81 -22.470 13.479 -5.639 621 HG2 GLU 81 1HG GLU 81 -23.200 13.524 -7.988 622 HG3 GLU 81 2HG GLU 81 -23.600 11.810 -7.896 623 H PHE 82 H PHE 82 -20.368 11.960 -9.120 624 HA PHE 82 HA PHE 82 -19.704 14.867 -9.355 625 HB2 PHE 82 1HB PHE 82 -17.705 13.420 -9.497 626 HB3 PHE 82 2HB PHE 82 -18.447 12.495 -10.793 627 HD1 PHE 82 HD1 PHE 82 -16.611 12.939 -12.302 628 HD2 PHE 82 HD2 PHE 82 -18.890 16.132 -10.609 629 HE1 PHE 82 HE1 PHE 82 -15.654 14.500 -13.963 630 HE2 PHE 82 HE2 PHE 82 -17.937 17.696 -12.270 631 HZ PHE 82 HZ PHE 82 -16.317 16.879 -13.947 632 H SER 83 H SER 83 -21.346 15.821 -10.353 633 HA SER 83 HA SER 83 -23.033 16.230 -11.868 634 HB2 SER 83 1HB SER 83 -21.215 14.604 -13.678 635 HB3 SER 83 2HB SER 83 -22.551 15.608 -14.223 636 HG SER 83 HG SER 83 -20.829 16.857 -14.362 637 H GLY 84 H GLY 84 -23.307 13.898 -10.166 638 HA2 GLY 84 1HA GLY 84 -25.440 12.759 -10.047 639 HA3 GLY 84 2HA GLY 84 -25.445 12.608 -11.794 640 H ARG 85 H ARG 85 -22.421 11.900 -11.484 641 HA ARG 85 HA ARG 85 -22.981 8.994 -11.095 642 HB2 ARG 85 1HB ARG 85 -20.856 10.385 -12.761 643 HB3 ARG 85 2HB ARG 85 -20.992 8.645 -12.562 644 HG2 ARG 85 1HG ARG 85 -23.212 8.695 -13.633 645 HG3 ARG 85 2HG ARG 85 -23.050 10.454 -13.852 646 HD2 ARG 85 1HD ARG 85 -21.084 10.115 -15.218 647 HD3 ARG 85 2HD ARG 85 -21.209 8.357 -14.978 648 HE ARG 85 HE ARG 85 -22.969 8.276 -16.473 649 HH11 ARG 85 1HH1 ARG 85 -22.158 11.617 -15.749 650 HH12 ARG 85 2HH1 ARG 85 -23.133 12.266 -17.049 651 HH21 ARG 85 1HH2 ARG 85 -24.232 9.131 -18.156 652 HH22 ARG 85 2HH2 ARG 85 -24.307 10.860 -18.411 653 H ALA 86 H ALA 86 -22.271 8.193 -9.253 654 HA ALA 86 HA ALA 86 -20.243 9.422 -7.644 655 HB1 ALA 86 1HB ALA 86 -20.340 7.333 -6.323 656 HB2 ALA 86 2HB ALA 86 -21.966 7.958 -6.688 657 HB3 ALA 86 3HB ALA 86 -21.317 6.578 -7.604 658 H LEU 87 H LEU 87 -18.120 9.354 -7.716 659 HA LEU 87 HA LEU 87 -16.843 7.938 -9.913 660 HB2 LEU 87 1HB LEU 87 -15.708 9.602 -7.638 661 HB3 LEU 87 2HB LEU 87 -14.757 8.966 -8.984 662 HG LEU 87 HG LEU 87 -17.043 10.951 -9.249 663 HD11 LEU 87 1HD1 LEU 87 -15.261 12.575 -9.712 664 HD12 LEU 87 2HD1 LEU 87 -15.125 11.899 -8.072 665 HD13 LEU 87 3HD1 LEU 87 -14.037 11.332 -9.362 666 HD21 LEU 87 1HD2 LEU 87 -16.202 11.164 -11.564 667 HD22 LEU 87 2HD2 LEU 87 -14.990 9.901 -11.240 668 HD23 LEU 87 3HD2 LEU 87 -16.723 9.497 -11.223 669 H ARG 88 H ARG 88 -15.562 6.172 -9.889 670 HA ARG 88 HA ARG 88 -15.142 4.857 -7.238 671 HB2 ARG 88 1HB ARG 88 -16.478 3.508 -8.798 672 HB3 ARG 88 2HB ARG 88 -15.224 3.639 -10.021 673 HG2 ARG 88 1HG ARG 88 -13.721 2.283 -8.758 674 HG3 ARG 88 2HG ARG 88 -14.775 2.343 -7.325 675 HD2 ARG 88 1HD ARG 88 -14.975 0.231 -8.477 676 HD3 ARG 88 2HD ARG 88 -16.499 1.145 -8.551 677 HE ARG 88 HE ARG 88 -16.234 1.414 -10.840 678 HH11 ARG 88 1HH1 ARG 88 -13.389 -0.096 -9.437 679 HH12 ARG 88 2HH1 ARG 88 -12.728 -0.578 -10.984 680 HH21 ARG 88 1HH2 ARG 88 -15.366 0.783 -12.841 681 HH22 ARG 88 2HH2 ARG 88 -13.846 -0.081 -12.911 682 H VAL 89 H VAL 89 -13.161 5.008 -6.460 683 HA VAL 89 HA VAL 89 -10.915 5.325 -8.404 684 HB VAL 89 HB VAL 89 -11.306 6.892 -5.818 685 HG11 VAL 89 1HG1 VAL 89 -9.335 8.150 -6.541 686 HG12 VAL 89 2HG1 VAL 89 -8.968 6.428 -6.279 687 HG13 VAL 89 3HG1 VAL 89 -9.151 7.058 -7.934 688 HG21 VAL 89 1HG2 VAL 89 -11.588 8.838 -7.320 689 HG22 VAL 89 2HG2 VAL 89 -11.477 7.761 -8.733 690 HG23 VAL 89 3HG2 VAL 89 -12.848 7.615 -7.608 691 H ASP 90 H ASP 90 -9.119 4.187 -7.993 692 HA ASP 90 HA ASP 90 -8.536 3.304 -5.249 693 HB2 ASP 90 1HB ASP 90 -10.034 1.537 -6.448 694 HB3 ASP 90 2HB ASP 90 -8.609 1.192 -7.418 695 H ASN 91 H ASN 91 -6.394 2.401 -5.013 696 HA ASN 91 HA ASN 91 -4.503 4.043 -6.357 697 HB2 ASN 91 1HB ASN 91 -4.280 2.957 -4.068 698 HB3 ASN 91 2HB ASN 91 -3.888 1.458 -4.899 699 HD21 ASN 91 1HD2 ASN 91 -1.026 4.082 -4.165 700 HD22 ASN 91 2HD2 ASN 91 -2.578 4.035 -3.397 701 H ALA 92 H ALA 92 -3.238 3.834 -8.079 702 HA ALA 92 HA ALA 92 -4.168 1.984 -10.073 703 HB1 ALA 92 1HB ALA 92 -2.430 3.009 -11.505 704 HB2 ALA 92 2HB ALA 92 -3.392 4.240 -10.651 705 HB3 ALA 92 3HB ALA 92 -1.756 3.835 -10.081 706 H ALA 93 H ALA 93 -1.759 1.786 -7.649 707 HA ALA 93 HA ALA 93 -0.096 -0.157 -9.047 708 HB1 ALA 93 1HB ALA 93 1.028 -0.403 -6.857 709 HB2 ALA 93 2HB ALA 93 0.868 1.305 -7.328 710 HB3 ALA 93 3HB ALA 93 -0.225 0.613 -6.108 711 H SER 94 H SER 94 -3.109 -0.272 -7.546 712 HA SER 94 HA SER 94 -3.031 -2.831 -6.294 713 HB2 SER 94 1HB SER 94 -4.895 -1.410 -5.866 714 HB3 SER 94 2HB SER 94 -5.247 -1.219 -7.577 715 HG SER 94 HG SER 94 -6.223 -2.958 -5.946 716 H GLU 95 H GLU 95 -2.957 -4.831 -7.039 717 HA GLU 95 HA GLU 95 -2.479 -5.286 -9.842 718 HB2 GLU 95 1HB GLU 95 -2.976 -7.220 -7.543 719 HB3 GLU 95 2HB GLU 95 -2.497 -7.714 -9.161 720 HG2 GLU 95 1HG GLU 95 -0.893 -5.955 -7.293 721 HG3 GLU 95 2HG GLU 95 -0.606 -7.662 -7.623 722 H LYS 96 H LYS 96 -5.285 -5.637 -7.736 723 HA LYS 96 HA LYS 96 -6.914 -7.104 -9.581 724 HB2 LYS 96 1HB LYS 96 -7.608 -5.228 -7.292 725 HB3 LYS 96 2HB LYS 96 -8.822 -6.103 -8.214 726 HG2 LYS 96 1HG LYS 96 -7.823 -8.245 -7.520 727 HG3 LYS 96 2HG LYS 96 -6.585 -7.371 -6.606 728 HD2 LYS 96 1HD LYS 96 -8.350 -6.337 -5.209 729 HD3 LYS 96 2HD LYS 96 -9.584 -7.222 -6.119 730 HE2 LYS 96 1HE LYS 96 -8.605 -9.363 -5.391 731 HE3 LYS 96 2HE LYS 96 -7.340 -8.500 -4.512 732 HZ1 LYS 96 1HZ LYS 96 -9.115 -9.174 -3.068 733 HZ2 LYS 96 2HZ LYS 96 -9.044 -7.527 -3.130 734 HZ3 LYS 96 3HZ LYS 96 -10.226 -8.334 -3.950 735 H ASN 97 H ASN 97 -6.380 -3.632 -9.070 736 HA ASN 97 HA ASN 97 -8.316 -2.823 -11.063 737 HB2 ASN 97 1HB ASN 97 -6.034 -1.432 -9.652 738 HB3 ASN 97 2HB ASN 97 -6.926 -0.642 -10.945 739 HD21 ASN 97 1HD2 ASN 97 -8.652 -1.294 -7.295 740 HD22 ASN 97 2HD2 ASN 97 -7.209 -2.130 -7.762 741 H LYS 98 H LYS 98 -4.895 -3.653 -11.120 742 HA LYS 98 HA LYS 98 -4.374 -2.852 -13.810 743 HB2 LYS 98 1HB LYS 98 -3.200 -5.046 -12.067 744 HB3 LYS 98 2HB LYS 98 -2.615 -4.712 -13.691 745 HG2 LYS 98 1HG LYS 98 -2.021 -2.420 -13.023 746 HG3 LYS 98 2HG LYS 98 -2.633 -2.734 -11.392 747 HD2 LYS 98 1HD LYS 98 -0.976 -4.602 -11.179 748 HD3 LYS 98 2HD LYS 98 -0.322 -4.158 -12.762 749 HE2 LYS 98 1HE LYS 98 0.247 -1.917 -11.918 750 HE3 LYS 98 2HE LYS 98 -0.451 -2.315 -10.346 751 HZ1 LYS 98 1HZ LYS 98 1.920 -2.572 -10.349 752 HZ2 LYS 98 2HZ LYS 98 1.202 -4.038 -10.113 753 HZ3 LYS 98 3HZ LYS 98 1.855 -3.666 -11.581 754 H GLU 99 H GLU 99 -5.763 -5.814 -12.435 755 HA GLU 99 HA GLU 99 -5.922 -7.241 -14.916 756 HB2 GLU 99 1HB GLU 99 -7.508 -7.464 -12.330 757 HB3 GLU 99 2HB GLU 99 -7.721 -8.563 -13.685 758 HG2 GLU 99 1HG GLU 99 -5.150 -8.138 -12.146 759 HG3 GLU 99 2HG GLU 99 -6.266 -9.487 -11.947 760 H GLU 100 H GLU 100 -8.147 -5.024 -13.250 761 HA GLU 100 HA GLU 100 -10.270 -5.141 -15.132 762 HB2 GLU 100 1HB GLU 100 -10.440 -3.969 -12.965 763 HB3 GLU 100 2HB GLU 100 -9.260 -2.779 -13.495 764 HG2 GLU 100 1HG GLU 100 -10.782 -1.988 -15.226 765 HG3 GLU 100 2HG GLU 100 -11.954 -3.233 -14.797 766 H LEU 101 H LEU 101 -7.341 -3.101 -15.055 767 HA LEU 101 HA LEU 101 -7.917 -1.608 -17.398 768 HB2 LEU 101 1HB LEU 101 -5.289 -2.425 -16.122 769 HB3 LEU 101 2HB LEU 101 -5.393 -1.326 -17.501 770 HG LEU 101 HG LEU 101 -6.674 -0.812 -14.793 771 HD11 LEU 101 1HD1 LEU 101 -4.841 0.789 -14.475 772 HD12 LEU 101 2HD1 LEU 101 -4.238 -0.878 -14.631 773 HD13 LEU 101 3HD1 LEU 101 -4.104 0.249 -16.002 774 HD21 LEU 101 1HD2 LEU 101 -6.925 1.476 -15.693 775 HD22 LEU 101 2HD2 LEU 101 -6.217 0.946 -17.239 776 HD23 LEU 101 3HD2 LEU 101 -7.785 0.291 -16.707 777 H LYS 102 H LYS 102 -6.420 -4.781 -16.944 778 HA LYS 102 HA LYS 102 -5.557 -5.174 -19.631 779 HB2 LYS 102 1HB LYS 102 -6.431 -7.123 -17.469 780 HB3 LYS 102 2HB LYS 102 -5.825 -7.649 -19.033 781 HG2 LYS 102 1HG LYS 102 -3.683 -6.528 -18.606 782 HG3 LYS 102 2HG LYS 102 -4.289 -5.945 -17.050 783 HD2 LYS 102 1HD LYS 102 -4.625 -8.306 -16.323 784 HD3 LYS 102 2HD LYS 102 -3.942 -8.855 -17.861 785 HE2 LYS 102 1HE LYS 102 -1.817 -7.727 -17.339 786 HE3 LYS 102 2HE LYS 102 -2.493 -7.122 -15.825 787 HZ1 LYS 102 1HZ LYS 102 -1.176 -9.081 -15.483 788 HZ2 LYS 102 2HZ LYS 102 -2.749 -9.395 -15.098 789 HZ3 LYS 102 3HZ LYS 102 -2.117 -9.960 -16.513 790 H SER 103 H SER 103 -8.671 -5.802 -18.035 791 HA SER 103 HA SER 103 -9.854 -6.963 -20.420 792 HB2 SER 103 1HB SER 103 -11.899 -6.985 -19.164 793 HB3 SER 103 2HB SER 103 -10.599 -7.453 -18.080 794 HG SER 103 HG SER 103 -10.587 -4.991 -17.768 795 H LEU 104 H LEU 104 -9.504 -3.746 -19.092 796 HA LEU 104 HA LEU 104 -11.455 -2.544 -20.892 797 HB2 LEU 104 1HB LEU 104 -9.242 -1.379 -19.171 798 HB3 LEU 104 2HB LEU 104 -10.343 -0.399 -20.144 799 HG LEU 104 HG LEU 104 -11.198 -2.240 -17.882 800 HD11 LEU 104 1HD1 LEU 104 -11.563 -0.156 -16.637 801 HD12 LEU 104 2HD1 LEU 104 -9.853 -0.367 -17.078 802 HD13 LEU 104 3HD1 LEU 104 -10.873 0.773 -17.988 803 HD21 LEU 104 1HD2 LEU 104 -13.356 -1.064 -18.141 804 HD22 LEU 104 2HD2 LEU 104 -12.692 -0.146 -19.514 805 HD23 LEU 104 3HD2 LEU 104 -12.904 -1.909 -19.641 806 H GLY 105 H GLY 105 -8.054 -3.351 -20.980 807 HA2 GLY 105 1HA GLY 105 -6.705 -3.466 -22.915 808 HA3 GLY 105 2HA GLY 105 -7.930 -2.600 -23.823 809 H THR 106 H THR 106 -6.768 -1.463 -20.703 810 HA THR 106 HA THR 106 -5.548 0.872 -22.108 811 HB THR 106 HB THR 106 -6.728 0.678 -19.303 812 HG1 THR 106 HG1 THR 106 -7.603 1.772 -21.773 813 HG21 THR 106 1HG2 THR 106 -6.327 3.107 -19.206 814 HG22 THR 106 2HG2 THR 106 -4.798 2.218 -19.397 815 HG23 THR 106 3HG2 THR 106 -5.527 3.043 -20.793 Start of MODEL 4 1 H MET 1 1H MET 1 -0.221 21.885 -10.319 2 HA MET 1 HA MET 1 -1.017 21.677 -12.539 3 HB2 MET 1 1HB MET 1 0.958 23.087 -12.051 4 HB3 MET 1 2HB MET 1 2.015 21.697 -12.252 5 HG2 MET 1 1HG MET 1 1.235 21.521 -14.629 6 HG3 MET 1 2HG MET 1 0.325 23.016 -14.394 7 HE1 MET 1 1HE MET 1 4.925 22.618 -14.447 8 HE2 MET 1 2HE MET 1 3.929 21.803 -13.216 9 HE3 MET 1 3HE MET 1 3.774 21.349 -14.930 10 H ALA 2 H ALA 2 -1.935 19.897 -13.361 11 HA ALA 2 HA ALA 2 -0.676 17.373 -13.668 12 HB1 ALA 2 1HB ALA 2 -2.464 16.908 -15.314 13 HB2 ALA 2 2HB ALA 2 -3.105 17.681 -13.844 14 HB3 ALA 2 3HB ALA 2 -2.887 18.636 -15.329 15 H GLY 3 H GLY 3 0.828 16.621 -14.968 16 HA2 GLY 3 1HA GLY 3 1.831 16.519 -17.223 17 HA3 GLY 3 2HA GLY 3 1.534 18.240 -17.388 18 H LEU 4 H LEU 4 2.420 17.736 -14.226 19 HA LEU 4 HA LEU 4 4.984 18.958 -14.481 20 HB2 LEU 4 1HB LEU 4 3.633 19.060 -12.427 21 HB3 LEU 4 2HB LEU 4 3.816 17.317 -12.204 22 HG LEU 4 HG LEU 4 6.299 17.684 -11.960 23 HD11 LEU 4 1HD1 LEU 4 7.067 19.973 -11.514 24 HD12 LEU 4 2HD1 LEU 4 6.438 19.801 -13.170 25 HD13 LEU 4 3HD1 LEU 4 5.450 20.594 -11.920 26 HD21 LEU 4 1HD2 LEU 4 6.096 18.579 -9.665 27 HD22 LEU 4 2HD2 LEU 4 4.465 19.181 -10.044 28 HD23 LEU 4 3HD2 LEU 4 4.784 17.431 -10.023 29 H THR 5 H THR 5 6.843 18.168 -15.141 30 HA THR 5 HA THR 5 7.198 15.261 -15.389 31 HB THR 5 HB THR 5 9.056 17.573 -16.100 32 HG1 THR 5 HG1 THR 5 6.881 16.869 -17.263 33 HG21 THR 5 1HG2 THR 5 10.306 15.876 -17.376 34 HG22 THR 5 2HG2 THR 5 10.288 15.481 -15.641 35 HG23 THR 5 3HG2 THR 5 9.219 14.608 -16.764 36 H VAL 6 H VAL 6 8.139 13.987 -13.976 37 HA VAL 6 HA VAL 6 9.908 15.244 -11.921 38 HB VAL 6 HB VAL 6 8.995 13.679 -10.253 39 HG11 VAL 6 1HG1 VAL 6 6.769 14.665 -10.001 40 HG12 VAL 6 2HG1 VAL 6 7.990 15.881 -10.444 41 HG13 VAL 6 3HG1 VAL 6 6.851 15.275 -11.670 42 HG21 VAL 6 1HG2 VAL 6 6.996 12.325 -10.797 43 HG22 VAL 6 2HG2 VAL 6 7.093 12.864 -12.490 44 HG23 VAL 6 3HG2 VAL 6 8.386 11.853 -11.802 45 H ARG 7 H ARG 7 11.402 13.733 -10.877 46 HA ARG 7 HA ARG 7 12.285 11.642 -12.816 47 HB2 ARG 7 1HB ARG 7 13.842 13.228 -10.748 48 HB3 ARG 7 2HB ARG 7 14.511 11.879 -11.653 49 HG2 ARG 7 1HG ARG 7 14.284 13.068 -13.734 50 HG3 ARG 7 2HG ARG 7 13.400 14.389 -12.930 51 HD2 ARG 7 1HD ARG 7 15.341 14.948 -11.637 52 HD3 ARG 7 2HD ARG 7 16.229 13.566 -12.320 53 HE ARG 7 HE ARG 7 16.606 14.766 -14.239 54 HH11 ARG 7 1HH1 ARG 7 14.144 16.387 -12.328 55 HH12 ARG 7 2HH1 ARG 7 14.143 17.827 -13.321 56 HH21 ARG 7 1HH2 ARG 7 16.597 16.641 -15.520 57 HH22 ARG 7 2HH2 ARG 7 15.531 17.972 -15.128 58 H ASP 8 H ASP 8 10.260 11.492 -10.552 59 HA ASP 8 HA ASP 8 11.487 9.898 -8.475 60 HB2 ASP 8 1HB ASP 8 8.584 10.288 -9.300 61 HB3 ASP 8 2HB ASP 8 9.080 9.346 -7.901 62 HA PRO 9 HA PRO 9 11.695 5.894 -10.150 63 HB2 PRO 9 1HB PRO 9 10.179 5.039 -7.656 64 HB3 PRO 9 2HB PRO 9 11.663 4.363 -8.340 65 HG2 PRO 9 1HG PRO 9 11.872 5.966 -6.229 66 HG3 PRO 9 2HG PRO 9 13.011 6.167 -7.563 67 HD2 PRO 9 1HD PRO 9 10.515 7.786 -6.912 68 HD3 PRO 9 2HD PRO 9 12.143 8.366 -7.447 69 H ALA 10 H ALA 10 10.441 4.690 -11.503 70 HA ALA 10 HA ALA 10 7.828 5.585 -12.135 71 HB1 ALA 10 1HB ALA 10 7.728 3.612 -13.625 72 HB2 ALA 10 2HB ALA 10 9.284 4.465 -13.763 73 HB3 ALA 10 3HB ALA 10 9.178 2.952 -12.834 74 H VAL 11 H VAL 11 8.951 2.921 -10.106 75 HA VAL 11 HA VAL 11 6.438 1.647 -9.718 76 HB VAL 11 HB VAL 11 8.862 1.886 -7.888 77 HG11 VAL 11 1HG1 VAL 11 7.941 -0.020 -6.661 78 HG12 VAL 11 2HG1 VAL 11 6.889 1.411 -6.556 79 HG13 VAL 11 3HG1 VAL 11 6.458 0.067 -7.640 80 HG21 VAL 11 1HG2 VAL 11 9.313 -0.410 -8.691 81 HG22 VAL 11 2HG2 VAL 11 7.874 -0.326 -9.734 82 HG23 VAL 11 3HG2 VAL 11 9.260 0.746 -10.043 83 H ASP 12 H ASP 12 8.084 4.187 -7.806 84 HA ASP 12 HA ASP 12 6.009 4.485 -5.875 85 HB2 ASP 12 1HB ASP 12 8.163 6.387 -6.862 86 HB3 ASP 12 2HB ASP 12 7.054 6.804 -5.562 87 H ARG 13 H ARG 13 6.524 5.941 -9.056 88 HA ARG 13 HA ARG 13 4.455 7.899 -8.894 89 HB2 ARG 13 1HB ARG 13 5.646 6.417 -11.258 90 HB3 ARG 13 2HB ARG 13 4.473 7.715 -11.424 91 HG2 ARG 13 1HG ARG 13 6.040 9.257 -10.282 92 HG3 ARG 13 2HG ARG 13 7.233 7.938 -10.200 93 HD2 ARG 13 1HD ARG 13 7.740 9.309 -12.068 94 HD3 ARG 13 2HD ARG 13 7.100 7.761 -12.666 95 HE ARG 13 HE ARG 13 5.058 9.778 -12.378 96 HH11 ARG 13 1HH1 ARG 13 7.607 8.575 -14.475 97 HH12 ARG 13 2HH1 ARG 13 6.883 9.217 -15.932 98 HH21 ARG 13 1HH2 ARG 13 4.129 10.607 -14.277 99 HH22 ARG 13 2HH2 ARG 13 4.915 10.368 -15.822 100 H SER 14 H SER 14 4.451 4.495 -9.929 101 HA SER 14 HA SER 14 1.696 4.545 -10.808 102 HB2 SER 14 1HB SER 14 1.932 2.172 -11.071 103 HB3 SER 14 2HB SER 14 3.429 2.922 -11.602 104 HG SER 14 HG SER 14 4.012 2.573 -9.263 105 H LEU 15 H LEU 15 3.321 3.965 -7.760 106 HA LEU 15 HA LEU 15 1.046 2.775 -6.432 107 HB2 LEU 15 1HB LEU 15 3.539 4.168 -5.404 108 HB3 LEU 15 2HB LEU 15 2.323 3.449 -4.343 109 HG LEU 15 HG LEU 15 3.906 1.903 -6.425 110 HD11 LEU 15 1HD1 LEU 15 5.187 1.054 -4.510 111 HD12 LEU 15 2HD1 LEU 15 5.372 2.814 -4.697 112 HD13 LEU 15 3HD1 LEU 15 4.306 2.160 -3.431 113 HD21 LEU 15 1HD2 LEU 15 3.034 -0.048 -5.182 114 HD22 LEU 15 2HD2 LEU 15 2.121 1.043 -4.111 115 HD23 LEU 15 3HD2 LEU 15 1.706 0.940 -5.838 116 H ARG 16 H ARG 16 2.271 6.076 -6.831 117 HA ARG 16 HA ARG 16 0.184 7.173 -5.083 118 HB2 ARG 16 1HB ARG 16 2.270 8.498 -6.847 119 HB3 ARG 16 2HB ARG 16 1.139 9.375 -5.828 120 HG2 ARG 16 1HG ARG 16 2.121 8.509 -3.832 121 HG3 ARG 16 2HG ARG 16 3.101 7.342 -4.751 122 HD2 ARG 16 1HD ARG 16 3.317 10.332 -4.996 123 HD3 ARG 16 2HD ARG 16 4.352 9.313 -3.970 124 HE ARG 16 HE ARG 16 4.492 8.199 -6.503 125 HH11 ARG 16 1HH1 ARG 16 5.199 11.320 -5.054 126 HH12 ARG 16 2HH1 ARG 16 6.478 11.696 -6.186 127 HH21 ARG 16 1HH2 ARG 16 6.154 8.698 -7.967 128 HH22 ARG 16 2HH2 ARG 16 7.020 10.213 -7.835 129 H SER 17 H SER 17 0.553 6.348 -8.402 130 HA SER 17 HA SER 17 -1.551 8.079 -9.402 131 HB2 SER 17 1HB SER 17 0.088 7.133 -10.926 132 HB3 SER 17 2HB SER 17 -0.351 5.498 -10.454 133 HG SER 17 HG SER 17 -2.537 6.182 -11.137 134 H VAL 18 H VAL 18 -3.680 7.851 -9.339 135 HA VAL 18 HA VAL 18 -4.755 5.258 -8.311 136 HB VAL 18 HB VAL 18 -6.697 6.552 -7.503 137 HG11 VAL 18 1HG1 VAL 18 -5.583 7.772 -5.698 138 HG12 VAL 18 2HG1 VAL 18 -4.828 6.189 -5.998 139 HG13 VAL 18 3HG1 VAL 18 -4.043 7.676 -6.584 140 HG21 VAL 18 1HG2 VAL 18 -6.632 9.025 -7.566 141 HG22 VAL 18 2HG2 VAL 18 -5.126 8.960 -8.513 142 HG23 VAL 18 3HG2 VAL 18 -6.643 8.340 -9.208 143 H PHE 19 H PHE 19 -6.618 4.387 -9.241 144 HA PHE 19 HA PHE 19 -6.957 5.080 -12.080 145 HB2 PHE 19 1HB PHE 19 -6.802 2.712 -11.424 146 HB3 PHE 19 2HB PHE 19 -8.198 2.886 -10.373 147 HD1 PHE 19 HD1 PHE 19 -7.229 3.435 -13.946 148 HD2 PHE 19 HD2 PHE 19 -10.262 2.262 -11.175 149 HE1 PHE 19 HE1 PHE 19 -8.718 2.846 -15.829 150 HE2 PHE 19 HE2 PHE 19 -11.753 1.669 -13.055 151 HZ PHE 19 HZ PHE 19 -10.981 1.963 -15.383 152 H VAL 20 H VAL 20 -8.575 6.182 -12.950 153 HA VAL 20 HA VAL 20 -10.780 7.039 -11.141 154 HB VAL 20 HB VAL 20 -9.903 8.179 -13.829 155 HG11 VAL 20 1HG1 VAL 20 -11.363 10.059 -13.262 156 HG12 VAL 20 2HG1 VAL 20 -12.266 8.532 -13.401 157 HG13 VAL 20 3HG1 VAL 20 -11.894 9.203 -11.795 158 HG21 VAL 20 1HG2 VAL 20 -9.010 10.046 -12.473 159 HG22 VAL 20 2HG2 VAL 20 -9.468 9.182 -10.985 160 HG23 VAL 20 3HG2 VAL 20 -8.214 8.511 -12.056 161 H GLY 21 H GLY 21 -12.751 6.253 -11.380 162 HA2 GLY 21 1HA GLY 21 -13.570 5.200 -14.053 163 HA3 GLY 21 2HA GLY 21 -13.757 4.189 -12.633 164 H ASN 22 H ASN 22 -16.008 4.618 -13.939 165 HA ASN 22 HA ASN 22 -18.169 5.391 -13.718 166 HB2 ASN 22 1HB ASN 22 -17.192 5.891 -10.887 167 HB3 ASN 22 2HB ASN 22 -18.877 5.958 -11.385 168 HD21 ASN 22 1HD2 ASN 22 -18.123 2.610 -9.969 169 HD22 ASN 22 2HD2 ASN 22 -17.979 4.243 -9.411 170 H ILE 23 H ILE 23 -16.575 7.196 -14.977 171 HA ILE 23 HA ILE 23 -17.851 9.725 -14.021 172 HB ILE 23 HB ILE 23 -16.038 10.938 -15.262 173 HG12 ILE 23 1HG1 ILE 23 -14.719 8.224 -15.482 174 HG13 ILE 23 2HG1 ILE 23 -15.523 9.045 -16.811 175 HG21 ILE 23 1HG2 ILE 23 -14.267 10.516 -13.605 176 HG22 ILE 23 2HG2 ILE 23 -15.868 10.568 -12.831 177 HG23 ILE 23 3HG2 ILE 23 -15.072 9.004 -13.124 178 HD11 ILE 23 1HD1 ILE 23 -13.116 9.373 -16.906 179 HD12 ILE 23 2HD1 ILE 23 -13.948 10.921 -16.623 180 HD13 ILE 23 3HD1 ILE 23 -13.132 10.089 -15.278 181 HA PRO 24 HA PRO 24 -20.002 9.641 -17.767 182 HB2 PRO 24 1HB PRO 24 -20.907 12.205 -17.934 183 HB3 PRO 24 2HB PRO 24 -21.444 11.124 -16.642 184 HG2 PRO 24 1HG PRO 24 -19.261 13.250 -16.569 185 HG3 PRO 24 2HG PRO 24 -20.568 12.986 -15.412 186 HD2 PRO 24 1HD PRO 24 -18.045 11.991 -15.008 187 HD3 PRO 24 2HD PRO 24 -19.525 11.131 -14.422 188 H TYR 25 H TYR 25 -19.947 10.290 -19.984 189 HA TYR 25 HA TYR 25 -17.397 11.046 -21.027 190 HB2 TYR 25 1HB TYR 25 -18.391 10.900 -23.163 191 HB3 TYR 25 2HB TYR 25 -19.288 9.740 -22.192 192 HD1 TYR 25 HD1 TYR 25 -19.413 12.977 -23.916 193 HD2 TYR 25 HD2 TYR 25 -21.602 10.128 -21.570 194 HE1 TYR 25 HE1 TYR 25 -21.530 14.092 -24.537 195 HE2 TYR 25 HE2 TYR 25 -23.719 11.244 -22.191 196 HH TYR 25 HH TYR 25 -24.612 13.115 -23.109 197 H GLU 26 H GLU 26 -20.077 12.905 -19.876 198 HA GLU 26 HA GLU 26 -19.463 15.328 -21.326 199 HB2 GLU 26 1HB GLU 26 -21.026 14.834 -18.761 200 HB3 GLU 26 2HB GLU 26 -20.911 16.401 -19.550 201 HG2 GLU 26 1HG GLU 26 -21.981 15.479 -21.559 202 HG3 GLU 26 2HG GLU 26 -22.080 13.899 -20.787 203 H ALA 27 H ALA 27 -18.162 13.779 -18.512 204 HA ALA 27 HA ALA 27 -17.065 16.135 -17.275 205 HB1 ALA 27 1HB ALA 27 -15.682 14.535 -15.992 206 HB2 ALA 27 2HB ALA 27 -17.392 14.046 -16.029 207 HB3 ALA 27 3HB ALA 27 -16.209 13.225 -17.073 208 H THR 28 H THR 28 -15.501 17.390 -17.948 209 HA THR 28 HA THR 28 -13.606 16.413 -19.986 210 HB THR 28 HB THR 28 -12.802 18.741 -20.062 211 HG1 THR 28 HG1 THR 28 -14.733 19.276 -18.028 212 HG21 THR 28 1HG2 THR 28 -14.886 19.826 -20.801 213 HG22 THR 28 2HG2 THR 28 -14.808 18.143 -21.374 214 HG23 THR 28 3HG2 THR 28 -15.838 18.564 -19.986 215 H GLU 29 H GLU 29 -11.282 16.879 -19.748 216 HA GLU 29 HA GLU 29 -10.321 15.604 -17.346 217 HB2 GLU 29 1HB GLU 29 -8.101 15.884 -18.327 218 HB3 GLU 29 2HB GLU 29 -9.227 15.318 -19.552 219 HG2 GLU 29 1HG GLU 29 -8.698 18.258 -19.274 220 HG3 GLU 29 2HG GLU 29 -7.517 17.223 -20.075 221 H GLU 30 H GLU 30 -10.883 18.887 -18.263 222 HA GLU 30 HA GLU 30 -9.051 20.031 -16.300 223 HB2 GLU 30 1HB GLU 30 -11.323 21.221 -17.938 224 HB3 GLU 30 2HB GLU 30 -10.325 22.160 -16.837 225 HG2 GLU 30 1HG GLU 30 -9.311 20.625 -19.241 226 HG3 GLU 30 2HG GLU 30 -9.623 22.359 -19.184 227 H GLN 31 H GLN 31 -12.558 19.438 -16.517 228 HA GLN 31 HA GLN 31 -13.211 20.533 -13.961 229 HB2 GLN 31 1HB GLN 31 -14.545 18.406 -15.673 230 HB3 GLN 31 2HB GLN 31 -15.228 18.968 -14.154 231 HG2 GLN 31 1HG GLN 31 -15.521 21.179 -14.994 232 HG3 GLN 31 2HG GLN 31 -14.571 20.806 -16.460 233 HE21 GLN 31 1HE2 GLN 31 -18.507 20.401 -16.552 234 HE22 GLN 31 2HE2 GLN 31 -17.606 21.373 -15.435 235 H LEU 32 H LEU 32 -12.329 17.236 -14.984 236 HA LEU 32 HA LEU 32 -12.653 16.080 -12.373 237 HB2 LEU 32 1HB LEU 32 -11.047 15.207 -14.799 238 HB3 LEU 32 2HB LEU 32 -11.229 14.229 -13.339 239 HG LEU 32 HG LEU 32 -13.556 15.140 -15.066 240 HD11 LEU 32 1HD1 LEU 32 -13.550 12.845 -15.935 241 HD12 LEU 32 2HD1 LEU 32 -12.047 13.705 -16.342 242 HD13 LEU 32 3HD1 LEU 32 -12.058 12.504 -15.028 243 HD21 LEU 32 1HD2 LEU 32 -14.755 13.387 -13.801 244 HD22 LEU 32 2HD2 LEU 32 -13.280 13.053 -12.863 245 HD23 LEU 32 3HD2 LEU 32 -14.096 14.627 -12.708 246 H LYS 33 H LYS 33 -9.814 17.305 -14.158 247 HA LYS 33 HA LYS 33 -7.819 16.789 -12.269 248 HB2 LYS 33 1HB LYS 33 -7.336 17.754 -14.468 249 HB3 LYS 33 2HB LYS 33 -8.181 19.236 -14.043 250 HG2 LYS 33 1HG LYS 33 -6.499 19.720 -12.315 251 HG3 LYS 33 2HG LYS 33 -5.656 18.214 -12.708 252 HD2 LYS 33 1HD LYS 33 -4.563 20.089 -13.822 253 HD3 LYS 33 2HD LYS 33 -5.307 19.029 -15.028 254 HE2 LYS 33 1HE LYS 33 -7.245 20.549 -15.180 255 HE3 LYS 33 2HE LYS 33 -6.527 21.601 -13.957 256 HZ1 LYS 33 1HZ LYS 33 -6.111 22.403 -16.165 257 HZ2 LYS 33 2HZ LYS 33 -4.686 21.981 -15.449 258 HZ3 LYS 33 3HZ LYS 33 -5.358 21.000 -16.592 259 H ASP 34 H ASP 34 -9.978 19.634 -12.425 260 HA ASP 34 HA ASP 34 -8.981 20.957 -10.138 261 HB2 ASP 34 1HB ASP 34 -11.751 20.889 -11.383 262 HB3 ASP 34 2HB ASP 34 -11.364 21.910 -10.005 263 H ILE 35 H ILE 35 -11.535 18.485 -10.423 264 HA ILE 35 HA ILE 35 -12.303 18.438 -7.698 265 HB ILE 35 HB ILE 35 -12.301 16.268 -9.830 266 HG12 ILE 35 1HG1 ILE 35 -14.602 17.804 -8.613 267 HG13 ILE 35 2HG1 ILE 35 -13.764 18.312 -10.071 268 HG21 ILE 35 1HG2 ILE 35 -13.772 14.988 -8.327 269 HG22 ILE 35 2HG2 ILE 35 -12.161 15.212 -7.606 270 HG23 ILE 35 3HG2 ILE 35 -13.531 16.202 -7.049 271 HD11 ILE 35 1HD1 ILE 35 -15.801 17.099 -10.609 272 HD12 ILE 35 2HD1 ILE 35 -14.371 16.201 -11.172 273 HD13 ILE 35 3HD1 ILE 35 -15.221 15.687 -9.696 274 H PHE 36 H PHE 36 -9.728 16.666 -9.409 275 HA PHE 36 HA PHE 36 -9.092 15.064 -7.067 276 HB2 PHE 36 1HB PHE 36 -7.762 15.450 -9.769 277 HB3 PHE 36 2HB PHE 36 -7.055 14.442 -8.516 278 HD1 PHE 36 HD1 PHE 36 -9.157 14.470 -11.313 279 HD2 PHE 36 HD2 PHE 36 -8.721 12.657 -7.469 280 HE1 PHE 36 HE1 PHE 36 -10.561 12.573 -12.050 281 HE2 PHE 36 HE2 PHE 36 -10.123 10.758 -8.204 282 HZ PHE 36 HZ PHE 36 -11.044 10.717 -10.495 283 H SER 37 H SER 37 -8.222 18.188 -8.207 284 HA SER 37 HA SER 37 -5.658 18.298 -6.815 285 HB2 SER 37 1HB SER 37 -5.558 20.558 -7.540 286 HB3 SER 37 2HB SER 37 -6.277 19.653 -8.863 287 HG SER 37 HG SER 37 -8.329 20.249 -7.812 288 H GLU 38 H GLU 38 -8.864 18.349 -5.825 289 HA GLU 38 HA GLU 38 -8.752 20.448 -3.852 290 HB2 GLU 38 1HB GLU 38 -10.589 18.047 -4.191 291 HB3 GLU 38 2HB GLU 38 -10.804 19.253 -2.930 292 HG2 GLU 38 1HG GLU 38 -11.052 21.002 -4.655 293 HG3 GLU 38 2HG GLU 38 -10.863 19.778 -5.909 294 H VAL 39 H VAL 39 -7.877 17.049 -3.879 295 HA VAL 39 HA VAL 39 -7.715 17.005 -0.921 296 HB VAL 39 HB VAL 39 -7.360 14.587 -1.183 297 HG11 VAL 39 1HG1 VAL 39 -9.510 13.990 -2.186 298 HG12 VAL 39 2HG1 VAL 39 -9.643 15.410 -1.122 299 HG13 VAL 39 3HG1 VAL 39 -9.634 15.620 -2.889 300 HG21 VAL 39 1HG2 VAL 39 -7.409 13.562 -3.435 301 HG22 VAL 39 2HG2 VAL 39 -7.463 15.183 -4.169 302 HG23 VAL 39 3HG2 VAL 39 -6.024 14.665 -3.260 303 H GLY 40 H GLY 40 -5.733 17.552 -3.636 304 HA2 GLY 40 1HA GLY 40 -3.479 18.328 -2.222 305 HA3 GLY 40 2HA GLY 40 -3.230 16.610 -2.470 306 HA PRO 41 HA PRO 41 -1.975 19.351 -6.156 307 HB2 PRO 41 1HB PRO 41 0.696 18.096 -5.440 308 HB3 PRO 41 2HB PRO 41 0.356 19.725 -6.040 309 HG2 PRO 41 1HG PRO 41 0.885 19.415 -3.448 310 HG3 PRO 41 2HG PRO 41 -0.428 20.494 -3.930 311 HD2 PRO 41 1HD PRO 41 -0.579 17.625 -2.917 312 HD3 PRO 41 2HD PRO 41 -1.606 19.046 -2.470 313 H VAL 42 H VAL 42 -1.868 18.481 -8.198 314 HA VAL 42 HA VAL 42 -1.568 15.512 -8.362 315 HB VAL 42 HB VAL 42 -3.136 17.406 -10.166 316 HG11 VAL 42 1HG1 VAL 42 -3.952 15.374 -11.259 317 HG12 VAL 42 2HG1 VAL 42 -2.190 15.559 -11.426 318 HG13 VAL 42 3HG1 VAL 42 -2.856 14.395 -10.255 319 HG21 VAL 42 1HG2 VAL 42 -5.108 16.234 -9.239 320 HG22 VAL 42 2HG2 VAL 42 -4.042 15.288 -8.172 321 HG23 VAL 42 3HG2 VAL 42 -4.182 17.049 -7.956 322 H VAL 43 H VAL 43 0.081 14.729 -9.471 323 HA VAL 43 HA VAL 43 1.951 16.532 -10.762 324 HB VAL 43 HB VAL 43 1.831 13.491 -10.602 325 HG11 VAL 43 1HG1 VAL 43 4.158 13.515 -11.358 326 HG12 VAL 43 2HG1 VAL 43 3.050 14.163 -12.591 327 HG13 VAL 43 3HG1 VAL 43 4.052 15.271 -11.624 328 HG21 VAL 43 1HG2 VAL 43 3.644 13.803 -8.947 329 HG22 VAL 43 2HG2 VAL 43 3.514 15.568 -9.141 330 HG23 VAL 43 3HG2 VAL 43 2.161 14.647 -8.443 331 H SER 44 H SER 44 -0.265 13.964 -11.884 332 HA SER 44 HA SER 44 -0.434 15.303 -14.498 333 HB2 SER 44 1HB SER 44 0.255 13.431 -15.805 334 HB3 SER 44 2HB SER 44 1.530 13.728 -14.633 335 HG SER 44 HG SER 44 1.187 11.890 -13.808 336 H PHE 45 H PHE 45 -2.102 14.370 -15.886 337 HA PHE 45 HA PHE 45 -3.971 12.507 -14.557 338 HB2 PHE 45 1HB PHE 45 -4.713 14.768 -13.843 339 HB3 PHE 45 2HB PHE 45 -4.823 15.266 -15.524 340 HD1 PHE 45 HD1 PHE 45 -6.217 12.909 -13.020 341 HD2 PHE 45 HD2 PHE 45 -6.740 14.813 -16.808 342 HE1 PHE 45 HE1 PHE 45 -8.548 12.088 -13.108 343 HE2 PHE 45 HE2 PHE 45 -9.072 13.996 -16.899 344 HZ PHE 45 HZ PHE 45 -9.975 12.632 -15.048 345 H ARG 46 H ARG 46 -4.955 11.169 -15.934 346 HA ARG 46 HA ARG 46 -4.755 11.822 -18.844 347 HB2 ARG 46 1HB ARG 46 -3.079 10.126 -18.240 348 HB3 ARG 46 2HB ARG 46 -4.325 9.125 -17.511 349 HG2 ARG 46 1HG ARG 46 -5.387 8.824 -19.703 350 HG3 ARG 46 2HG ARG 46 -4.137 9.851 -20.446 351 HD2 ARG 46 1HD ARG 46 -2.426 8.289 -19.760 352 HD3 ARG 46 2HD ARG 46 -3.655 7.272 -18.972 353 HE ARG 46 HE ARG 46 -4.339 7.707 -21.704 354 HH11 ARG 46 1HH1 ARG 46 -2.085 5.936 -19.674 355 HH12 ARG 46 2HH1 ARG 46 -1.870 4.639 -20.828 356 HH21 ARG 46 1HH2 ARG 46 -4.052 6.018 -23.194 357 HH22 ARG 46 2HH2 ARG 46 -2.983 4.685 -22.821 358 H LEU 47 H LEU 47 -6.728 12.142 -19.600 359 HA LEU 47 HA LEU 47 -8.944 10.433 -18.598 360 HB2 LEU 47 1HB LEU 47 -9.355 12.851 -18.665 361 HB3 LEU 47 2HB LEU 47 -8.949 12.894 -20.383 362 HG LEU 47 HG LEU 47 -10.931 11.453 -20.854 363 HD11 LEU 47 1HD1 LEU 47 -12.589 11.119 -19.075 364 HD12 LEU 47 2HD1 LEU 47 -11.046 10.319 -18.694 365 HD13 LEU 47 3HD1 LEU 47 -11.475 11.852 -17.898 366 HD21 LEU 47 1HD2 LEU 47 -12.593 13.232 -20.429 367 HD22 LEU 47 2HD2 LEU 47 -11.479 13.997 -19.270 368 HD23 LEU 47 3HD2 LEU 47 -11.052 13.919 -20.997 369 H VAL 48 H VAL 48 -9.327 8.610 -19.623 370 HA VAL 48 HA VAL 48 -8.239 8.190 -22.314 371 HB VAL 48 HB VAL 48 -9.823 6.344 -20.474 372 HG11 VAL 48 1HG1 VAL 48 -9.043 4.540 -21.930 373 HG12 VAL 48 2HG1 VAL 48 -10.076 5.698 -22.800 374 HG13 VAL 48 3HG1 VAL 48 -8.310 5.739 -23.022 375 HG21 VAL 48 1HG2 VAL 48 -7.615 5.310 -20.053 376 HG22 VAL 48 2HG2 VAL 48 -6.844 6.538 -21.085 377 HG23 VAL 48 3HG2 VAL 48 -7.628 7.020 -19.561 378 H TYR 49 H TYR 49 -9.315 8.189 -24.181 379 HA TYR 49 HA TYR 49 -12.279 8.199 -24.140 380 HB2 TYR 49 1HB TYR 49 -12.448 10.233 -25.437 381 HB3 TYR 49 2HB TYR 49 -11.528 10.583 -23.979 382 HD1 TYR 49 HD1 TYR 49 -11.466 10.395 -27.612 383 HD2 TYR 49 HD2 TYR 49 -9.080 10.920 -24.085 384 HE1 TYR 49 HE1 TYR 49 -9.632 11.316 -28.990 385 HE2 TYR 49 HE2 TYR 49 -7.246 11.841 -25.463 386 HH TYR 49 HH TYR 49 -6.570 12.382 -27.502 387 H ASP 50 H ASP 50 -13.246 7.967 -26.264 388 HA ASP 50 HA ASP 50 -11.737 6.045 -27.857 389 HB2 ASP 50 1HB ASP 50 -14.210 5.863 -27.389 390 HB3 ASP 50 2HB ASP 50 -14.469 7.270 -28.412 391 H ARG 51 H ARG 51 -10.664 6.350 -29.692 392 HA ARG 51 HA ARG 51 -9.918 9.040 -30.356 393 HB2 ARG 51 1HB ARG 51 -9.394 6.383 -31.723 394 HB3 ARG 51 2HB ARG 51 -8.723 7.904 -32.292 395 HG2 ARG 51 1HG ARG 51 -7.522 8.197 -30.184 396 HG3 ARG 51 2HG ARG 51 -8.234 6.688 -29.561 397 HD2 ARG 51 1HD ARG 51 -7.166 5.447 -31.353 398 HD3 ARG 51 2HD ARG 51 -6.454 6.954 -31.973 399 HE ARG 51 HE ARG 51 -5.708 6.771 -29.294 400 HH11 ARG 51 1HH1 ARG 51 -5.252 4.916 -32.242 401 HH12 ARG 51 2HH1 ARG 51 -3.696 4.284 -31.753 402 HH21 ARG 51 1HH2 ARG 51 -3.687 5.944 -28.670 403 HH22 ARG 51 2HH2 ARG 51 -2.810 4.865 -29.731 404 H GLU 52 H GLU 52 -12.222 6.748 -31.707 405 HA GLU 52 HA GLU 52 -12.597 8.321 -34.150 406 HB2 GLU 52 1HB GLU 52 -14.031 5.885 -33.024 407 HB3 GLU 52 2HB GLU 52 -14.460 6.643 -34.550 408 HG2 GLU 52 1HG GLU 52 -12.215 6.176 -35.428 409 HG3 GLU 52 2HG GLU 52 -11.762 5.440 -33.892 410 H THR 53 H THR 53 -14.508 7.554 -31.229 411 HA THR 53 HA THR 53 -16.710 9.255 -32.060 412 HB THR 53 HB THR 53 -16.085 8.026 -29.339 413 HG1 THR 53 HG1 THR 53 -16.450 6.433 -30.885 414 HG21 THR 53 1HG2 THR 53 -18.473 8.416 -28.880 415 HG22 THR 53 2HG2 THR 53 -17.627 9.950 -29.192 416 HG23 THR 53 3HG2 THR 53 -18.649 9.225 -30.455 417 H GLY 54 H GLY 54 -14.072 9.530 -29.675 418 HA2 GLY 54 1HA GLY 54 -12.937 11.595 -29.238 419 HA3 GLY 54 2HA GLY 54 -14.310 12.483 -29.871 420 H LYS 55 H LYS 55 -15.486 10.016 -27.948 421 HA LYS 55 HA LYS 55 -15.847 11.915 -25.679 422 HB2 LYS 55 1HB LYS 55 -17.473 9.506 -26.576 423 HB3 LYS 55 2HB LYS 55 -17.766 10.373 -25.075 424 HG2 LYS 55 1HG LYS 55 -18.246 12.429 -26.339 425 HG3 LYS 55 2HG LYS 55 -17.930 11.573 -27.855 426 HD2 LYS 55 1HD LYS 55 -19.773 10.000 -27.354 427 HD3 LYS 55 2HD LYS 55 -20.088 10.853 -25.836 428 HE2 LYS 55 1HE LYS 55 -20.613 12.911 -27.082 429 HE3 LYS 55 2HE LYS 55 -20.255 12.095 -28.607 430 HZ1 LYS 55 1HZ LYS 55 -22.597 12.141 -28.159 431 HZ2 LYS 55 2HZ LYS 55 -22.060 10.581 -28.153 432 HZ3 LYS 55 3HZ LYS 55 -22.395 11.343 -26.730 433 HA PRO 56 HA PRO 56 -13.278 9.622 -23.017 434 HB2 PRO 56 1HB PRO 56 -15.465 10.251 -20.998 435 HB3 PRO 56 2HB PRO 56 -13.715 10.452 -20.839 436 HG2 PRO 56 1HG PRO 56 -15.188 12.610 -21.338 437 HG3 PRO 56 2HG PRO 56 -13.669 12.395 -22.214 438 HD2 PRO 56 1HD PRO 56 -16.515 11.846 -23.144 439 HD3 PRO 56 2HD PRO 56 -15.148 12.617 -24.046 440 H LYS 57 H LYS 57 -13.164 7.531 -22.241 441 HA LYS 57 HA LYS 57 -15.453 5.806 -22.877 442 HB2 LYS 57 1HB LYS 57 -12.630 5.201 -21.914 443 HB3 LYS 57 2HB LYS 57 -13.834 3.965 -22.251 444 HG2 LYS 57 1HG LYS 57 -13.965 4.794 -24.607 445 HG3 LYS 57 2HG LYS 57 -12.655 5.925 -24.238 446 HD2 LYS 57 1HD LYS 57 -11.181 4.037 -23.639 447 HD3 LYS 57 2HD LYS 57 -12.492 2.899 -23.981 448 HE2 LYS 57 1HE LYS 57 -12.546 3.690 -26.334 449 HE3 LYS 57 2HE LYS 57 -11.214 4.794 -25.987 450 HZ1 LYS 57 1HZ LYS 57 -10.444 2.769 -26.983 451 HZ2 LYS 57 2HZ LYS 57 -9.854 2.892 -25.447 452 HZ3 LYS 57 3HZ LYS 57 -11.099 1.860 -25.773 453 H GLY 58 H GLY 58 -14.344 7.477 -20.154 454 HA2 GLY 58 1HA GLY 58 -15.970 7.675 -18.357 455 HA3 GLY 58 2HA GLY 58 -16.389 5.986 -18.571 456 H TYR 59 H TYR 59 -13.026 6.693 -18.774 457 HA TYR 59 HA TYR 59 -12.504 6.494 -15.904 458 HB2 TYR 59 1HB TYR 59 -11.193 4.412 -16.041 459 HB3 TYR 59 2HB TYR 59 -12.882 4.125 -16.435 460 HD1 TYR 59 HD1 TYR 59 -9.452 4.185 -17.697 461 HD2 TYR 59 HD2 TYR 59 -13.578 3.623 -18.729 462 HE1 TYR 59 HE1 TYR 59 -8.776 3.132 -19.829 463 HE2 TYR 59 HE2 TYR 59 -12.903 2.570 -20.860 464 HH TYR 59 HH TYR 59 -9.479 2.061 -21.656 465 H GLY 60 H GLY 60 -10.124 6.413 -15.454 466 HA2 GLY 60 1HA GLY 60 -8.245 7.162 -17.504 467 HA3 GLY 60 2HA GLY 60 -8.854 8.600 -16.706 468 H PHE 61 H PHE 61 -6.614 8.887 -16.010 469 HA PHE 61 HA PHE 61 -6.100 7.385 -13.490 470 HB2 PHE 61 1HB PHE 61 -4.001 8.028 -15.601 471 HB3 PHE 61 2HB PHE 61 -3.681 7.321 -14.026 472 HD1 PHE 61 HD1 PHE 61 -4.996 6.729 -17.384 473 HD2 PHE 61 HD2 PHE 61 -4.292 5.012 -13.536 474 HE1 PHE 61 HE1 PHE 61 -5.330 4.471 -18.333 475 HE2 PHE 61 HE2 PHE 61 -4.623 2.752 -14.482 476 HZ PHE 61 HZ PHE 61 -5.144 2.482 -16.881 477 H CYS 62 H CYS 62 -4.876 8.499 -11.920 478 HA CYS 62 HA CYS 62 -4.264 11.344 -12.494 479 HB2 CYS 62 1HB CYS 62 -6.550 11.316 -11.526 480 HB3 CYS 62 2HB CYS 62 -5.951 10.427 -10.133 481 HG CYS 62 HG CYS 62 -4.125 12.327 -9.565 482 H GLU 63 H GLU 63 -2.259 11.737 -11.893 483 HA GLU 63 HA GLU 63 -1.008 9.888 -9.928 484 HB2 GLU 63 1HB GLU 63 0.056 10.083 -12.162 485 HB3 GLU 63 2HB GLU 63 0.257 11.813 -11.921 486 HG2 GLU 63 1HG GLU 63 1.732 11.363 -9.991 487 HG3 GLU 63 2HG GLU 63 1.547 9.632 -10.267 488 H TYR 64 H TYR 64 -0.672 10.514 -7.930 489 HA TYR 64 HA TYR 64 -0.591 13.432 -7.348 490 HB2 TYR 64 1HB TYR 64 -1.097 10.992 -5.611 491 HB3 TYR 64 2HB TYR 64 -0.779 12.580 -4.926 492 HD1 TYR 64 HD1 TYR 64 -3.151 10.550 -6.875 493 HD2 TYR 64 HD2 TYR 64 -2.406 14.356 -5.041 494 HE1 TYR 64 HE1 TYR 64 -5.542 11.130 -7.106 495 HE2 TYR 64 HE2 TYR 64 -4.797 14.936 -5.271 496 HH TYR 64 HH TYR 64 -6.755 14.338 -6.191 497 H GLN 65 H GLN 65 1.024 14.355 -6.075 498 HA GLN 65 HA GLN 65 3.648 13.098 -6.305 499 HB2 GLN 65 1HB GLN 65 3.313 15.561 -6.542 500 HB3 GLN 65 2HB GLN 65 2.812 15.644 -4.859 501 HG2 GLN 65 1HG GLN 65 5.100 16.352 -5.068 502 HG3 GLN 65 2HG GLN 65 5.039 14.808 -4.174 503 HE21 GLN 65 1HE2 GLN 65 7.596 13.633 -6.218 504 HE22 GLN 65 2HE2 GLN 65 7.038 14.013 -4.622 505 H ASP 66 H ASP 66 1.304 13.750 -3.727 506 HA ASP 66 HA ASP 66 3.098 12.316 -1.825 507 HB2 ASP 66 1HB ASP 66 2.325 14.611 -1.181 508 HB3 ASP 66 2HB ASP 66 0.661 14.046 -1.241 509 H GLN 67 H GLN 67 2.672 10.299 -1.324 510 HA GLN 67 HA GLN 67 0.535 8.821 -2.402 511 HB2 GLN 67 1HB GLN 67 2.669 7.880 -1.448 512 HB3 GLN 67 2HB GLN 67 2.048 8.198 0.165 513 HG2 GLN 67 1HG GLN 67 1.680 5.907 -0.296 514 HG3 GLN 67 2HG GLN 67 0.090 6.715 -0.387 515 HE21 GLN 67 1HE2 GLN 67 -0.575 5.416 -3.519 516 HE22 GLN 67 2HE2 GLN 67 -1.130 5.936 -1.963 517 H GLU 68 H GLU 68 0.724 10.688 0.566 518 HA GLU 68 HA GLU 68 -1.578 9.566 1.845 519 HB2 GLU 68 1HB GLU 68 0.111 10.939 3.031 520 HB3 GLU 68 2HB GLU 68 -0.372 12.351 2.101 521 HG2 GLU 68 1HG GLU 68 -1.351 12.471 4.282 522 HG3 GLU 68 2HG GLU 68 -2.630 12.221 3.095 523 H THR 69 H THR 69 -1.158 12.119 -0.552 524 HA THR 69 HA THR 69 -3.939 12.992 -0.349 525 HB THR 69 HB THR 69 -3.396 14.429 -2.292 526 HG1 THR 69 HG1 THR 69 -1.186 12.710 -2.388 527 HG21 THR 69 1HG2 THR 69 -1.620 15.767 -1.231 528 HG22 THR 69 2HG2 THR 69 -2.792 15.193 -0.021 529 HG23 THR 69 3HG2 THR 69 -1.210 14.394 -0.177 530 H ALA 70 H ALA 70 -2.062 10.770 -2.332 531 HA ALA 70 HA ALA 70 -4.146 10.150 -4.193 532 HB1 ALA 70 1HB ALA 70 -2.918 8.028 -4.522 533 HB2 ALA 70 2HB ALA 70 -1.824 9.432 -4.533 534 HB3 ALA 70 3HB ALA 70 -1.923 8.393 -3.093 535 H LEU 71 H LEU 71 -3.297 8.795 -1.007 536 HA LEU 71 HA LEU 71 -5.473 6.916 -0.956 537 HB2 LEU 71 1HB LEU 71 -3.848 8.207 1.260 538 HB3 LEU 71 2HB LEU 71 -5.042 6.935 1.533 539 HG LEU 71 HG LEU 71 -2.562 6.622 -0.194 540 HD11 LEU 71 1HD1 LEU 71 -1.686 5.311 1.687 541 HD12 LEU 71 2HD1 LEU 71 -1.979 7.005 2.146 542 HD13 LEU 71 3HD1 LEU 71 -3.120 5.735 2.650 543 HD21 LEU 71 1HD2 LEU 71 -3.140 4.223 -0.047 544 HD22 LEU 71 2HD2 LEU 71 -4.596 4.631 0.893 545 HD23 LEU 71 3HD2 LEU 71 -4.456 5.154 -0.803 546 H SER 72 H SER 72 -5.110 10.286 0.068 547 HA SER 72 HA SER 72 -7.585 10.558 1.431 548 HB2 SER 72 1HB SER 72 -6.003 12.563 -0.210 549 HB3 SER 72 2HB SER 72 -7.370 12.982 0.811 550 HG SER 72 HG SER 72 -4.863 11.969 1.506 551 H ALA 73 H ALA 73 -6.770 10.941 -2.022 552 HA ALA 73 HA ALA 73 -9.382 11.574 -2.927 553 HB1 ALA 73 1HB ALA 73 -8.617 10.705 -5.112 554 HB2 ALA 73 2HB ALA 73 -7.397 11.757 -4.357 555 HB3 ALA 73 3HB ALA 73 -7.194 9.990 -4.321 556 H MET 74 H MET 74 -7.796 8.421 -2.434 557 HA MET 74 HA MET 74 -9.970 6.844 -3.396 558 HB2 MET 74 1HB MET 74 -7.742 6.243 -1.420 559 HB3 MET 74 2HB MET 74 -8.891 5.030 -1.964 560 HG2 MET 74 1HG MET 74 -8.126 5.253 -4.255 561 HG3 MET 74 2HG MET 74 -7.076 6.602 -3.814 562 HE1 MET 74 1HE MET 74 -6.419 2.192 -2.592 563 HE2 MET 74 2HE MET 74 -7.805 3.141 -2.003 564 HE3 MET 74 3HE MET 74 -7.661 2.756 -3.735 565 H ARG 75 H ARG 75 -9.374 8.407 -0.319 566 HA ARG 75 HA ARG 75 -11.484 6.836 1.009 567 HB2 ARG 75 1HB ARG 75 -9.642 9.044 1.974 568 HB3 ARG 75 2HB ARG 75 -10.885 8.314 2.978 569 HG2 ARG 75 1HG ARG 75 -9.797 6.146 2.829 570 HG3 ARG 75 2HG ARG 75 -8.581 6.811 1.712 571 HD2 ARG 75 1HD ARG 75 -9.052 7.801 4.512 572 HD3 ARG 75 2HD ARG 75 -7.816 6.610 4.048 573 HE ARG 75 HE ARG 75 -7.612 8.974 2.451 574 HH11 ARG 75 1HH1 ARG 75 -6.921 7.704 5.653 575 HH12 ARG 75 2HH1 ARG 75 -5.591 8.804 5.939 576 HH21 ARG 75 1HH2 ARG 75 -5.883 10.396 2.834 577 HH22 ARG 75 2HH2 ARG 75 -5.003 10.328 4.344 578 H ASN 76 H ASN 76 -10.969 10.034 -0.367 579 HA ASN 76 HA ASN 76 -13.493 10.992 0.885 580 HB2 ASN 76 1HB ASN 76 -11.182 12.453 -0.428 581 HB3 ASN 76 2HB ASN 76 -12.675 13.244 0.059 582 HD21 ASN 76 1HD2 ASN 76 -10.078 13.514 2.735 583 HD22 ASN 76 2HD2 ASN 76 -10.103 13.865 1.039 584 H LEU 77 H LEU 77 -11.860 10.830 -2.291 585 HA LEU 77 HA LEU 77 -14.158 12.133 -3.551 586 HB2 LEU 77 1HB LEU 77 -11.589 10.981 -4.693 587 HB3 LEU 77 2HB LEU 77 -12.805 11.843 -5.639 588 HG LEU 77 HG LEU 77 -11.161 13.019 -3.369 589 HD11 LEU 77 1HD1 LEU 77 -10.079 14.294 -5.166 590 HD12 LEU 77 2HD1 LEU 77 -9.846 12.542 -5.370 591 HD13 LEU 77 3HD1 LEU 77 -11.036 13.405 -6.373 592 HD21 LEU 77 1HD2 LEU 77 -12.180 15.151 -4.093 593 HD22 LEU 77 2HD2 LEU 77 -13.168 14.274 -5.286 594 HD23 LEU 77 3HD2 LEU 77 -13.424 14.000 -3.546 595 H ASN 78 H ASN 78 -12.873 8.890 -3.189 596 HA ASN 78 HA ASN 78 -14.391 7.585 -5.205 597 HB2 ASN 78 1HB ASN 78 -12.575 6.508 -3.918 598 HB3 ASN 78 2HB ASN 78 -13.570 6.553 -2.469 599 HD21 ASN 78 1HD2 ASN 78 -13.770 3.376 -4.722 600 HD22 ASN 78 2HD2 ASN 78 -12.444 4.479 -4.565 601 H GLY 79 H GLY 79 -16.468 7.634 -5.544 602 HA2 GLY 79 1HA GLY 79 -18.651 6.813 -4.903 603 HA3 GLY 79 2HA GLY 79 -18.278 7.155 -3.224 604 H ARG 80 H ARG 80 -17.058 9.747 -4.794 605 HA ARG 80 HA ARG 80 -19.270 11.457 -4.004 606 HB2 ARG 80 1HB ARG 80 -16.914 12.166 -3.780 607 HB3 ARG 80 2HB ARG 80 -16.720 12.100 -5.525 608 HG2 ARG 80 1HG ARG 80 -18.332 13.910 -5.808 609 HG3 ARG 80 2HG ARG 80 -18.609 13.951 -4.050 610 HD2 ARG 80 1HD ARG 80 -16.299 14.545 -3.682 611 HD3 ARG 80 2HD ARG 80 -15.983 14.455 -5.430 612 HE ARG 80 HE ARG 80 -18.108 16.241 -5.061 613 HH11 ARG 80 1HH1 ARG 80 -14.707 15.994 -4.216 614 HH12 ARG 80 2HH1 ARG 80 -14.454 17.724 -4.210 615 HH21 ARG 80 1HH2 ARG 80 -17.768 18.486 -5.049 616 HH22 ARG 80 2HH2 ARG 80 -16.186 19.136 -4.681 617 H GLU 81 H GLU 81 -21.026 11.797 -5.156 618 HA GLU 81 HA GLU 81 -21.306 10.991 -7.883 619 HB2 GLU 81 1HB GLU 81 -23.206 11.175 -6.297 620 HB3 GLU 81 2HB GLU 81 -23.006 12.920 -6.250 621 HG2 GLU 81 1HG GLU 81 -23.532 13.047 -8.652 622 HG3 GLU 81 2HG GLU 81 -23.734 11.297 -8.698 623 H PHE 82 H PHE 82 -20.556 11.891 -9.654 624 HA PHE 82 HA PHE 82 -20.476 14.877 -9.757 625 HB2 PHE 82 1HB PHE 82 -18.185 13.886 -9.721 626 HB3 PHE 82 2HB PHE 82 -18.579 12.947 -11.153 627 HD1 PHE 82 HD1 PHE 82 -19.283 16.518 -10.285 628 HD2 PHE 82 HD2 PHE 82 -17.318 13.767 -12.897 629 HE1 PHE 82 HE1 PHE 82 -18.557 18.398 -11.717 630 HE2 PHE 82 HE2 PHE 82 -16.588 15.644 -14.330 631 HZ PHE 82 HZ PHE 82 -17.209 17.961 -13.739 632 H SER 83 H SER 83 -22.199 15.451 -10.897 633 HA SER 83 HA SER 83 -23.757 15.540 -12.589 634 HB2 SER 83 1HB SER 83 -21.530 14.229 -14.184 635 HB3 SER 83 2HB SER 83 -22.975 14.953 -14.871 636 HG SER 83 HG SER 83 -21.798 16.639 -14.884 637 H GLY 84 H GLY 84 -23.864 13.312 -10.814 638 HA2 GLY 84 1HA GLY 84 -25.513 11.640 -10.684 639 HA3 GLY 84 2HA GLY 84 -25.724 11.715 -12.423 640 H ARG 85 H ARG 85 -22.522 11.399 -11.042 641 HA ARG 85 HA ARG 85 -22.526 8.473 -11.563 642 HB2 ARG 85 1HB ARG 85 -20.568 10.464 -12.752 643 HB3 ARG 85 2HB ARG 85 -20.313 8.726 -12.733 644 HG2 ARG 85 1HG ARG 85 -22.692 10.051 -14.052 645 HG3 ARG 85 2HG ARG 85 -21.174 9.642 -14.888 646 HD2 ARG 85 1HD ARG 85 -21.492 7.298 -14.239 647 HD3 ARG 85 2HD ARG 85 -23.052 7.740 -13.507 648 HE ARG 85 HE ARG 85 -22.418 7.510 -16.345 649 HH11 ARG 85 1HH1 ARG 85 -24.661 8.708 -13.921 650 HH12 ARG 85 2HH1 ARG 85 -26.010 8.795 -15.031 651 HH21 ARG 85 1HH2 ARG 85 -24.176 7.628 -17.777 652 HH22 ARG 85 2HH2 ARG 85 -25.737 8.184 -17.214 653 H ALA 86 H ALA 86 -21.822 7.499 -9.808 654 HA ALA 86 HA ALA 86 -20.417 8.883 -7.719 655 HB1 ALA 86 1HB ALA 86 -20.229 6.647 -6.678 656 HB2 ALA 86 2HB ALA 86 -21.880 6.967 -7.259 657 HB3 ALA 86 3HB ALA 86 -20.799 5.904 -8.189 658 H LEU 87 H LEU 87 -18.561 9.799 -8.552 659 HA LEU 87 HA LEU 87 -16.737 8.556 -10.288 660 HB2 LEU 87 1HB LEU 87 -16.823 10.995 -9.631 661 HB3 LEU 87 2HB LEU 87 -16.036 10.555 -8.112 662 HG LEU 87 HG LEU 87 -14.714 9.820 -10.713 663 HD11 LEU 87 1HD1 LEU 87 -13.617 12.015 -10.747 664 HD12 LEU 87 2HD1 LEU 87 -15.374 12.155 -10.990 665 HD13 LEU 87 3HD1 LEU 87 -14.659 12.557 -9.410 666 HD21 LEU 87 1HD2 LEU 87 -12.702 10.165 -9.319 667 HD22 LEU 87 2HD2 LEU 87 -13.731 10.680 -7.961 668 HD23 LEU 87 3HD2 LEU 87 -13.818 9.005 -8.557 669 H ARG 88 H ARG 88 -15.460 6.869 -10.093 670 HA ARG 88 HA ARG 88 -14.931 5.799 -7.387 671 HB2 ARG 88 1HB ARG 88 -15.774 4.234 -9.053 672 HB3 ARG 88 2HB ARG 88 -14.472 4.645 -10.159 673 HG2 ARG 88 1HG ARG 88 -12.839 3.725 -8.511 674 HG3 ARG 88 2HG ARG 88 -14.216 3.203 -7.511 675 HD2 ARG 88 1HD ARG 88 -15.002 1.765 -9.224 676 HD3 ARG 88 2HD ARG 88 -13.814 2.407 -10.382 677 HE ARG 88 HE ARG 88 -12.612 1.280 -8.003 678 HH11 ARG 88 1HH1 ARG 88 -13.894 0.568 -11.195 679 HH12 ARG 88 2HH1 ARG 88 -12.954 -0.896 -11.383 680 HH21 ARG 88 1HH2 ARG 88 -11.397 -0.621 -8.258 681 HH22 ARG 88 2HH2 ARG 88 -11.541 -1.570 -9.721 682 H VAL 89 H VAL 89 -13.045 5.959 -6.373 683 HA VAL 89 HA VAL 89 -10.611 6.397 -8.053 684 HB VAL 89 HB VAL 89 -11.075 7.359 -5.198 685 HG11 VAL 89 1HG1 VAL 89 -8.955 8.544 -5.492 686 HG12 VAL 89 2HG1 VAL 89 -8.757 6.781 -5.628 687 HG13 VAL 89 3HG1 VAL 89 -8.757 7.792 -7.093 688 HG21 VAL 89 1HG2 VAL 89 -11.074 9.618 -6.207 689 HG22 VAL 89 2HG2 VAL 89 -10.947 8.892 -7.827 690 HG23 VAL 89 3HG2 VAL 89 -12.408 8.628 -6.845 691 H ASP 90 H ASP 90 -9.060 4.922 -7.898 692 HA ASP 90 HA ASP 90 -8.904 3.206 -5.494 693 HB2 ASP 90 1HB ASP 90 -10.437 2.247 -7.473 694 HB3 ASP 90 2HB ASP 90 -8.876 1.797 -8.147 695 H ASN 91 H ASN 91 -7.040 1.555 -5.833 696 HA ASN 91 HA ASN 91 -4.702 3.191 -6.511 697 HB2 ASN 91 1HB ASN 91 -4.800 1.775 -4.458 698 HB3 ASN 91 2HB ASN 91 -4.849 0.342 -5.475 699 HD21 ASN 91 1HD2 ASN 91 -1.360 0.941 -4.396 700 HD22 ASN 91 2HD2 ASN 91 -2.878 0.685 -3.603 701 H ALA 92 H ALA 92 -3.908 3.329 -8.458 702 HA ALA 92 HA ALA 92 -4.839 1.639 -10.572 703 HB1 ALA 92 1HB ALA 92 -3.210 2.867 -11.971 704 HB2 ALA 92 2HB ALA 92 -4.166 3.969 -10.951 705 HB3 ALA 92 3HB ALA 92 -2.491 3.570 -10.504 706 H ALA 93 H ALA 93 -2.235 1.350 -8.337 707 HA ALA 93 HA ALA 93 -0.625 -0.374 -10.065 708 HB1 ALA 93 1HB ALA 93 0.807 -0.628 -8.064 709 HB2 ALA 93 2HB ALA 93 0.468 1.083 -8.420 710 HB3 ALA 93 3HB ALA 93 -0.396 0.260 -7.101 711 H SER 94 H SER 94 -3.403 -0.784 -8.232 712 HA SER 94 HA SER 94 -2.936 -3.352 -7.064 713 HB2 SER 94 1HB SER 94 -4.808 -1.949 -6.385 714 HB3 SER 94 2HB SER 94 -5.494 -2.014 -8.001 715 HG SER 94 HG SER 94 -6.292 -3.494 -6.329 716 H GLU 95 H GLU 95 -3.197 -5.400 -7.775 717 HA GLU 95 HA GLU 95 -2.808 -5.832 -10.589 718 HB2 GLU 95 1HB GLU 95 -3.434 -7.769 -8.324 719 HB3 GLU 95 2HB GLU 95 -3.018 -8.267 -9.958 720 HG2 GLU 95 1HG GLU 95 -1.249 -6.680 -8.084 721 HG3 GLU 95 2HG GLU 95 -1.110 -8.400 -8.443 722 H LYS 96 H LYS 96 -5.613 -5.971 -8.465 723 HA LYS 96 HA LYS 96 -7.381 -7.293 -10.281 724 HB2 LYS 96 1HB LYS 96 -7.886 -5.326 -8.019 725 HB3 LYS 96 2HB LYS 96 -9.181 -6.102 -8.920 726 HG2 LYS 96 1HG LYS 96 -8.375 -8.314 -8.199 727 HG3 LYS 96 2HG LYS 96 -7.058 -7.543 -7.304 728 HD2 LYS 96 1HD LYS 96 -8.715 -6.331 -5.915 729 HD3 LYS 96 2HD LYS 96 -10.028 -7.115 -6.805 730 HE2 LYS 96 1HE LYS 96 -9.242 -9.324 -6.047 731 HE3 LYS 96 2HE LYS 96 -7.899 -8.565 -5.188 732 HZ1 LYS 96 1HZ LYS 96 -9.718 -9.054 -3.725 733 HZ2 LYS 96 2HZ LYS 96 -9.500 -7.421 -3.815 734 HZ3 LYS 96 3HZ LYS 96 -10.755 -8.131 -4.616 735 H ASN 97 H ASN 97 -6.524 -3.878 -9.833 736 HA ASN 97 HA ASN 97 -8.423 -2.911 -11.784 737 HB2 ASN 97 1HB ASN 97 -5.944 -1.720 -10.519 738 HB3 ASN 97 2HB ASN 97 -6.878 -0.862 -11.737 739 HD21 ASN 97 1HD2 ASN 97 -7.992 -0.016 -8.246 740 HD22 ASN 97 2HD2 ASN 97 -6.438 -0.096 -9.008 741 H LYS 98 H LYS 98 -5.074 -4.016 -11.931 742 HA LYS 98 HA LYS 98 -4.564 -3.308 -14.640 743 HB2 LYS 98 1HB LYS 98 -3.559 -5.613 -12.931 744 HB3 LYS 98 2HB LYS 98 -2.969 -5.297 -14.557 745 HG2 LYS 98 1HG LYS 98 -2.173 -3.077 -13.853 746 HG3 LYS 98 2HG LYS 98 -2.787 -3.372 -12.220 747 HD2 LYS 98 1HD LYS 98 -1.291 -5.370 -12.058 748 HD3 LYS 98 2HD LYS 98 -0.631 -4.970 -13.651 749 HE2 LYS 98 1HE LYS 98 0.153 -2.799 -12.803 750 HE3 LYS 98 2HE LYS 98 -0.550 -3.143 -11.221 751 HZ1 LYS 98 1HZ LYS 98 1.787 -3.612 -11.267 752 HZ2 LYS 98 2HZ LYS 98 0.944 -5.010 -11.027 753 HZ3 LYS 98 3HZ LYS 98 1.603 -4.688 -12.504 754 H GLU 99 H GLU 99 -6.165 -6.137 -13.207 755 HA GLU 99 HA GLU 99 -6.547 -7.522 -15.694 756 HB2 GLU 99 1HB GLU 99 -8.022 -7.661 -13.037 757 HB3 GLU 99 2HB GLU 99 -8.369 -8.727 -14.391 758 HG2 GLU 99 1HG GLU 99 -5.712 -8.499 -12.959 759 HG3 GLU 99 2HG GLU 99 -6.910 -9.770 -12.726 760 H GLU 100 H GLU 100 -8.479 -5.141 -13.903 761 HA GLU 100 HA GLU 100 -10.720 -5.121 -15.670 762 HB2 GLU 100 1HB GLU 100 -9.503 -2.953 -13.917 763 HB3 GLU 100 2HB GLU 100 -11.002 -2.739 -14.809 764 HG2 GLU 100 1HG GLU 100 -11.998 -4.632 -13.579 765 HG3 GLU 100 2HG GLU 100 -10.498 -4.823 -12.674 766 H LEU 101 H LEU 101 -7.631 -3.356 -15.720 767 HA LEU 101 HA LEU 101 -8.268 -1.714 -17.974 768 HB2 LEU 101 1HB LEU 101 -5.637 -2.667 -16.806 769 HB3 LEU 101 2HB LEU 101 -5.730 -1.556 -18.176 770 HG LEU 101 HG LEU 101 -6.895 -1.000 -15.425 771 HD11 LEU 101 1HD1 LEU 101 -4.982 0.517 -15.167 772 HD12 LEU 101 2HD1 LEU 101 -4.460 -1.174 -15.351 773 HD13 LEU 101 3HD1 LEU 101 -4.326 -0.046 -16.721 774 HD21 LEU 101 1HD2 LEU 101 -7.077 1.303 -16.306 775 HD22 LEU 101 2HD2 LEU 101 -6.449 0.751 -17.878 776 HD23 LEU 101 3HD2 LEU 101 -8.024 0.163 -17.292 777 H LYS 102 H LYS 102 -6.987 -4.984 -17.658 778 HA LYS 102 HA LYS 102 -6.251 -5.371 -20.386 779 HB2 LYS 102 1HB LYS 102 -7.202 -7.291 -18.233 780 HB3 LYS 102 2HB LYS 102 -6.725 -7.831 -19.837 781 HG2 LYS 102 1HG LYS 102 -4.469 -6.928 -19.497 782 HG3 LYS 102 2HG LYS 102 -4.941 -6.322 -17.904 783 HD2 LYS 102 1HD LYS 102 -5.457 -8.653 -17.193 784 HD3 LYS 102 2HD LYS 102 -4.918 -9.236 -18.775 785 HE2 LYS 102 1HE LYS 102 -2.667 -8.331 -18.362 786 HE3 LYS 102 2HE LYS 102 -3.194 -7.689 -16.804 787 HZ1 LYS 102 1HZ LYS 102 -2.059 -9.773 -16.562 788 HZ2 LYS 102 2HZ LYS 102 -3.631 -9.939 -16.091 789 HZ3 LYS 102 3HZ LYS 102 -3.138 -10.538 -17.547 790 H SER 103 H SER 103 -9.348 -5.754 -18.688 791 HA SER 103 HA SER 103 -10.718 -6.720 -21.065 792 HB2 SER 103 1HB SER 103 -12.709 -6.612 -19.729 793 HB3 SER 103 2HB SER 103 -11.417 -7.246 -18.721 794 HG SER 103 HG SER 103 -11.167 -4.811 -18.307 795 H LEU 104 H LEU 104 -10.039 -3.607 -19.619 796 HA LEU 104 HA LEU 104 -11.949 -2.167 -21.286 797 HB2 LEU 104 1HB LEU 104 -9.598 -1.265 -19.590 798 HB3 LEU 104 2HB LEU 104 -10.650 -0.155 -20.475 799 HG LEU 104 HG LEU 104 -11.597 -2.046 -18.293 800 HD11 LEU 104 1HD1 LEU 104 -11.711 -0.030 -16.898 801 HD12 LEU 104 2HD1 LEU 104 -10.045 -0.378 -17.415 802 HD13 LEU 104 3HD1 LEU 104 -10.970 0.919 -18.209 803 HD21 LEU 104 1HD2 LEU 104 -13.631 -0.646 -18.393 804 HD22 LEU 104 2HD2 LEU 104 -12.918 0.295 -19.726 805 HD23 LEU 104 3HD2 LEU 104 -13.312 -1.424 -19.962 806 H GLY 105 H GLY 105 -8.598 -3.176 -21.501 807 HA2 GLY 105 1HA GLY 105 -7.332 -3.362 -23.478 808 HA3 GLY 105 2HA GLY 105 -8.572 -2.484 -24.353 809 H THR 106 H THR 106 -7.004 -1.436 -21.343 810 HA THR 106 HA THR 106 -5.616 0.712 -22.884 811 HB THR 106 HB THR 106 -7.144 1.044 -20.267 812 HG1 THR 106 HG1 THR 106 -7.600 1.767 -22.963 813 HG21 THR 106 1HG2 THR 106 -6.484 3.412 -20.437 814 HG22 THR 106 2HG2 THR 106 -5.054 2.361 -20.296 815 HG23 THR 106 3HG2 THR 106 -5.507 3.040 -21.877 Start of MODEL 5 1 H MET 1 1H MET 1 10.517 -4.104 -5.573 2 HA MET 1 HA MET 1 10.406 -1.808 -6.139 3 HB2 MET 1 1HB MET 1 8.955 -2.630 -3.595 4 HB3 MET 1 2HB MET 1 8.537 -1.225 -4.564 5 HG2 MET 1 1HG MET 1 8.033 -2.695 -6.481 6 HG3 MET 1 2HG MET 1 8.455 -4.106 -5.508 7 HE1 MET 1 1HE MET 1 5.625 -4.362 -2.913 8 HE2 MET 1 2HE MET 1 6.974 -5.190 -3.729 9 HE3 MET 1 3HE MET 1 7.288 -3.760 -2.717 10 H ALA 2 H ALA 2 9.847 0.320 -4.798 11 HA ALA 2 HA ALA 2 12.380 1.226 -3.800 12 HB1 ALA 2 1HB ALA 2 11.177 3.330 -3.305 13 HB2 ALA 2 2HB ALA 2 10.810 2.730 -4.940 14 HB3 ALA 2 3HB ALA 2 9.631 2.511 -3.627 15 H GLY 3 H GLY 3 13.061 1.793 -1.768 16 HA2 GLY 3 1HA GLY 3 11.308 1.095 0.531 17 HA3 GLY 3 2HA GLY 3 12.834 0.244 0.382 18 H LEU 4 H LEU 4 13.571 1.138 2.356 19 HA LEU 4 HA LEU 4 13.854 4.041 2.603 20 HB2 LEU 4 1HB LEU 4 14.879 1.740 4.301 21 HB3 LEU 4 2HB LEU 4 15.077 3.448 4.708 22 HG LEU 4 HG LEU 4 12.414 2.006 4.445 23 HD11 LEU 4 1HD1 LEU 4 12.339 2.218 6.889 24 HD12 LEU 4 2HD1 LEU 4 13.717 1.227 6.357 25 HD13 LEU 4 3HD1 LEU 4 13.978 2.908 6.880 26 HD21 LEU 4 1HD2 LEU 4 11.515 4.087 5.430 27 HD22 LEU 4 2HD2 LEU 4 13.144 4.805 5.400 28 HD23 LEU 4 3HD2 LEU 4 12.318 4.409 3.874 29 H THR 5 H THR 5 15.741 1.348 1.468 30 HA THR 5 HA THR 5 18.079 3.188 1.159 31 HB THR 5 HB THR 5 19.523 1.181 1.146 32 HG1 THR 5 HG1 THR 5 18.441 -0.570 0.592 33 HG21 THR 5 1HG2 THR 5 19.277 0.563 3.518 34 HG22 THR 5 2HG2 THR 5 19.072 2.316 3.293 35 HG23 THR 5 3HG2 THR 5 17.649 1.278 3.540 36 H VAL 6 H VAL 6 15.674 1.355 -0.412 37 HA VAL 6 HA VAL 6 17.259 1.179 -2.919 38 HB VAL 6 HB VAL 6 14.511 0.060 -2.221 39 HG11 VAL 6 1HG1 VAL 6 14.728 -1.222 -4.294 40 HG12 VAL 6 2HG1 VAL 6 14.708 0.532 -4.593 41 HG13 VAL 6 3HG1 VAL 6 16.243 -0.366 -4.663 42 HG21 VAL 6 1HG2 VAL 6 15.692 -2.114 -2.189 43 HG22 VAL 6 2HG2 VAL 6 17.234 -1.279 -2.489 44 HG23 VAL 6 3HG2 VAL 6 16.354 -1.004 -0.967 45 H ARG 7 H ARG 7 17.129 2.752 -4.350 46 HA ARG 7 HA ARG 7 14.800 4.579 -4.289 47 HB2 ARG 7 1HB ARG 7 17.050 5.571 -4.347 48 HB3 ARG 7 2HB ARG 7 17.411 4.713 -5.837 49 HG2 ARG 7 1HG ARG 7 15.675 5.984 -7.012 50 HG3 ARG 7 2HG ARG 7 15.279 6.838 -5.502 51 HD2 ARG 7 1HD ARG 7 17.525 7.738 -5.413 52 HD3 ARG 7 2HD ARG 7 17.939 6.868 -6.908 53 HE ARG 7 HE ARG 7 15.645 8.466 -7.364 54 HH11 ARG 7 1HH1 ARG 7 19.094 8.775 -6.775 55 HH12 ARG 7 2HH1 ARG 7 19.236 10.280 -7.655 56 HH21 ARG 7 1HH2 ARG 7 15.842 10.421 -8.503 57 HH22 ARG 7 2HH2 ARG 7 17.396 11.213 -8.633 58 H ASP 8 H ASP 8 13.145 4.348 -5.607 59 HA ASP 8 HA ASP 8 13.586 3.473 -8.377 60 HB2 ASP 8 1HB ASP 8 13.259 1.335 -7.131 61 HB3 ASP 8 2HB ASP 8 11.712 1.926 -6.540 62 HA PRO 9 HA PRO 9 10.602 6.756 -8.013 63 HB2 PRO 9 1HB PRO 9 11.029 7.839 -10.521 64 HB3 PRO 9 2HB PRO 9 12.102 8.138 -9.148 65 HG2 PRO 9 1HG PRO 9 12.386 6.084 -11.382 66 HG3 PRO 9 2HG PRO 9 13.604 7.204 -10.764 67 HD2 PRO 9 1HD PRO 9 13.552 4.630 -9.924 68 HD3 PRO 9 2HD PRO 9 13.951 5.968 -8.773 69 H ALA 10 H ALA 10 10.876 4.262 -10.456 70 HA ALA 10 HA ALA 10 8.393 4.692 -11.800 71 HB1 ALA 10 1HB ALA 10 8.607 2.326 -12.491 72 HB2 ALA 10 2HB ALA 10 10.136 3.213 -12.693 73 HB3 ALA 10 3HB ALA 10 9.923 2.110 -11.314 74 H VAL 11 H VAL 11 9.248 2.734 -8.947 75 HA VAL 11 HA VAL 11 6.557 1.853 -8.440 76 HB VAL 11 HB VAL 11 8.980 2.151 -6.618 77 HG11 VAL 11 1HG1 VAL 11 7.778 0.736 -5.024 78 HG12 VAL 11 2HG1 VAL 11 6.956 2.292 -5.286 79 HG13 VAL 11 3HG1 VAL 11 6.327 0.813 -6.051 80 HG21 VAL 11 1HG2 VAL 11 9.078 -0.310 -6.861 81 HG22 VAL 11 2HG2 VAL 11 7.670 -0.257 -7.947 82 HG23 VAL 11 3HG2 VAL 11 9.204 0.498 -8.441 83 H ASP 12 H ASP 12 8.496 4.623 -7.329 84 HA ASP 12 HA ASP 12 6.690 5.629 -5.402 85 HB2 ASP 12 1HB ASP 12 8.684 7.030 -7.217 86 HB3 ASP 12 2HB ASP 12 7.766 7.882 -5.983 87 H ARG 13 H ARG 13 6.825 6.120 -8.918 88 HA ARG 13 HA ARG 13 4.595 8.003 -8.878 89 HB2 ARG 13 1HB ARG 13 6.039 6.575 -11.132 90 HB3 ARG 13 2HB ARG 13 4.720 7.708 -11.388 91 HG2 ARG 13 1HG ARG 13 6.068 9.471 -10.251 92 HG3 ARG 13 2HG ARG 13 7.416 8.313 -10.152 93 HD2 ARG 13 1HD ARG 13 7.787 9.647 -12.048 94 HD3 ARG 13 2HD ARG 13 7.230 8.063 -12.636 95 HE ARG 13 HE ARG 13 5.077 9.955 -12.300 96 HH11 ARG 13 1HH1 ARG 13 7.642 8.898 -14.454 97 HH12 ARG 13 2HH1 ARG 13 6.848 9.493 -15.895 98 HH21 ARG 13 1HH2 ARG 13 4.055 10.723 -14.177 99 HH22 ARG 13 2HH2 ARG 13 4.818 10.526 -15.739 100 H SER 14 H SER 14 5.067 4.552 -9.397 101 HA SER 14 HA SER 14 2.462 3.976 -10.431 102 HB2 SER 14 1HB SER 14 4.397 2.291 -8.810 103 HB3 SER 14 2HB SER 14 2.931 1.666 -9.550 104 HG SER 14 HG SER 14 5.206 2.761 -10.759 105 H LEU 15 H LEU 15 3.755 4.133 -7.117 106 HA LEU 15 HA LEU 15 1.282 3.356 -5.859 107 HB2 LEU 15 1HB LEU 15 3.705 4.870 -4.830 108 HB3 LEU 15 2HB LEU 15 2.354 4.370 -3.809 109 HG LEU 15 HG LEU 15 4.158 2.476 -5.357 110 HD11 LEU 15 1HD1 LEU 15 5.091 1.940 -3.151 111 HD12 LEU 15 2HD1 LEU 15 5.359 3.646 -3.581 112 HD13 LEU 15 3HD1 LEU 15 4.085 3.210 -2.417 113 HD21 LEU 15 1HD2 LEU 15 3.039 0.756 -3.980 114 HD22 LEU 15 2HD2 LEU 15 2.002 2.009 -3.256 115 HD23 LEU 15 3HD2 LEU 15 1.863 1.632 -4.990 116 H ARG 16 H ARG 16 2.459 6.306 -7.233 117 HA ARG 16 HA ARG 16 0.393 7.907 -5.840 118 HB2 ARG 16 1HB ARG 16 2.646 8.619 -7.736 119 HB3 ARG 16 2HB ARG 16 1.419 9.780 -7.251 120 HG2 ARG 16 1HG ARG 16 2.127 9.756 -4.995 121 HG3 ARG 16 2HG ARG 16 3.110 8.292 -5.239 122 HD2 ARG 16 1HD ARG 16 4.679 9.456 -6.545 123 HD3 ARG 16 2HD ARG 16 3.622 10.881 -6.669 124 HE ARG 16 HE ARG 16 4.370 11.591 -4.628 125 HH11 ARG 16 1HH1 ARG 16 5.195 8.198 -5.017 126 HH12 ARG 16 2HH1 ARG 16 6.173 8.141 -3.568 127 HH21 ARG 16 1HH2 ARG 16 5.643 11.504 -2.749 128 HH22 ARG 16 2HH2 ARG 16 6.427 10.011 -2.283 129 H SER 17 H SER 17 0.508 5.882 -8.441 130 HA SER 17 HA SER 17 -1.230 7.497 -10.191 131 HB2 SER 17 1HB SER 17 -0.235 4.635 -10.378 132 HB3 SER 17 2HB SER 17 -1.246 5.415 -11.585 133 HG SER 17 HG SER 17 1.309 6.212 -10.715 134 H VAL 18 H VAL 18 -3.359 7.525 -10.126 135 HA VAL 18 HA VAL 18 -4.723 5.380 -8.551 136 HB VAL 18 HB VAL 18 -5.432 8.341 -8.713 137 HG11 VAL 18 1HG1 VAL 18 -7.163 7.814 -7.066 138 HG12 VAL 18 2HG1 VAL 18 -7.422 6.955 -8.602 139 HG13 VAL 18 3HG1 VAL 18 -6.760 6.086 -7.197 140 HG21 VAL 18 1HG2 VAL 18 -4.860 8.340 -6.306 141 HG22 VAL 18 2HG2 VAL 18 -4.384 6.629 -6.421 142 HG23 VAL 18 3HG2 VAL 18 -3.461 7.871 -7.300 143 H PHE 19 H PHE 19 -6.377 4.361 -9.484 144 HA PHE 19 HA PHE 19 -7.149 5.194 -12.212 145 HB2 PHE 19 1HB PHE 19 -6.600 2.816 -11.774 146 HB3 PHE 19 2HB PHE 19 -7.896 2.727 -10.590 147 HD1 PHE 19 HD1 PHE 19 -7.354 3.658 -14.174 148 HD2 PHE 19 HD2 PHE 19 -9.946 1.920 -11.256 149 HE1 PHE 19 HE1 PHE 19 -8.941 3.029 -15.962 150 HE2 PHE 19 HE2 PHE 19 -11.535 1.287 -13.042 151 HZ PHE 19 HZ PHE 19 -11.032 1.844 -15.395 152 H VAL 20 H VAL 20 -8.939 6.244 -12.697 153 HA VAL 20 HA VAL 20 -11.092 6.348 -10.625 154 HB VAL 20 HB VAL 20 -10.301 8.508 -12.626 155 HG11 VAL 20 1HG1 VAL 20 -11.911 9.907 -11.427 156 HG12 VAL 20 2HG1 VAL 20 -12.688 8.496 -12.183 157 HG13 VAL 20 3HG1 VAL 20 -12.380 8.510 -10.429 158 HG21 VAL 20 1HG2 VAL 20 -9.570 9.755 -10.618 159 HG22 VAL 20 2HG2 VAL 20 -9.966 8.348 -9.602 160 HG23 VAL 20 3HG2 VAL 20 -8.656 8.239 -10.803 161 H GLY 21 H GLY 21 -12.937 5.457 -11.210 162 HA2 GLY 21 1HA GLY 21 -13.558 5.258 -14.136 163 HA3 GLY 21 2HA GLY 21 -14.092 4.100 -12.932 164 H ASN 22 H ASN 22 -16.129 4.817 -14.255 165 HA ASN 22 HA ASN 22 -18.166 5.895 -14.282 166 HB2 ASN 22 1HB ASN 22 -17.443 6.314 -11.364 167 HB3 ASN 22 2HB ASN 22 -19.033 6.625 -12.047 168 HD21 ASN 22 1HD2 ASN 22 -19.005 3.245 -10.539 169 HD22 ASN 22 2HD2 ASN 22 -18.699 4.857 -9.982 170 H ILE 23 H ILE 23 -16.122 7.412 -15.314 171 HA ILE 23 HA ILE 23 -16.477 10.131 -14.210 172 HB ILE 23 HB ILE 23 -14.741 9.059 -16.473 173 HG12 ILE 23 1HG1 ILE 23 -13.983 10.149 -13.753 174 HG13 ILE 23 2HG1 ILE 23 -14.096 8.441 -14.147 175 HG21 ILE 23 1HG2 ILE 23 -13.744 11.309 -16.522 176 HG22 ILE 23 2HG2 ILE 23 -15.470 11.366 -16.947 177 HG23 ILE 23 3HG2 ILE 23 -14.936 11.869 -15.326 178 HD11 ILE 23 1HD1 ILE 23 -11.792 9.210 -14.234 179 HD12 ILE 23 2HD1 ILE 23 -12.344 8.705 -15.849 180 HD13 ILE 23 3HD1 ILE 23 -12.228 10.435 -15.448 181 HA PRO 24 HA PRO 24 -19.865 10.995 -16.920 182 HB2 PRO 24 1HB PRO 24 -18.876 13.800 -16.292 183 HB3 PRO 24 2HB PRO 24 -20.529 13.172 -16.264 184 HG2 PRO 24 1HG PRO 24 -19.271 13.493 -13.944 185 HG3 PRO 24 2HG PRO 24 -20.207 12.018 -14.205 186 HD2 PRO 24 1HD PRO 24 -17.198 12.442 -14.420 187 HD3 PRO 24 2HD PRO 24 -18.104 11.074 -13.657 188 H TYR 25 H TYR 25 -19.750 11.013 -19.086 189 HA TYR 25 HA TYR 25 -17.245 11.417 -20.424 190 HB2 TYR 25 1HB TYR 25 -18.364 10.760 -22.397 191 HB3 TYR 25 2HB TYR 25 -19.193 9.884 -21.118 192 HD1 TYR 25 HD1 TYR 25 -19.445 12.581 -23.590 193 HD2 TYR 25 HD2 TYR 25 -21.466 10.451 -20.461 194 HE1 TYR 25 HE1 TYR 25 -21.602 13.528 -24.337 195 HE2 TYR 25 HE2 TYR 25 -23.622 11.398 -21.209 196 HH TYR 25 HH TYR 25 -24.643 12.739 -22.647 197 H GLU 26 H GLU 26 -19.879 13.530 -19.648 198 HA GLU 26 HA GLU 26 -19.217 15.490 -21.715 199 HB2 GLU 26 1HB GLU 26 -20.971 16.836 -20.735 200 HB3 GLU 26 2HB GLU 26 -21.542 15.176 -20.835 201 HG2 GLU 26 1HG GLU 26 -20.279 16.133 -18.292 202 HG3 GLU 26 2HG GLU 26 -21.925 16.625 -18.684 203 H ALA 27 H ALA 27 -17.915 14.630 -18.724 204 HA ALA 27 HA ALA 27 -17.036 17.340 -18.014 205 HB1 ALA 27 1HB ALA 27 -15.855 16.207 -16.159 206 HB2 ALA 27 2HB ALA 27 -17.571 15.740 -16.231 207 HB3 ALA 27 3HB ALA 27 -16.320 14.630 -16.837 208 H THR 28 H THR 28 -15.042 18.204 -18.233 209 HA THR 28 HA THR 28 -13.277 16.848 -20.180 210 HB THR 28 HB THR 28 -12.136 18.993 -20.385 211 HG1 THR 28 HG1 THR 28 -13.202 20.755 -19.032 212 HG21 THR 28 1HG2 THR 28 -14.009 20.412 -21.127 213 HG22 THR 28 2HG2 THR 28 -14.255 18.722 -21.626 214 HG23 THR 28 3HG2 THR 28 -15.150 19.379 -20.237 215 H GLU 29 H GLU 29 -10.892 17.055 -19.848 216 HA GLU 29 HA GLU 29 -10.145 15.671 -17.471 217 HB2 GLU 29 1HB GLU 29 -8.516 17.146 -19.571 218 HB3 GLU 29 2HB GLU 29 -7.775 16.271 -18.238 219 HG2 GLU 29 1HG GLU 29 -8.814 14.188 -19.001 220 HG3 GLU 29 2HG GLU 29 -9.608 15.054 -20.315 221 H GLU 30 H GLU 30 -10.042 19.096 -18.359 222 HA GLU 30 HA GLU 30 -8.407 19.886 -16.118 223 HB2 GLU 30 1HB GLU 30 -10.265 21.479 -17.928 224 HB3 GLU 30 2HB GLU 30 -9.212 22.203 -16.721 225 HG2 GLU 30 1HG GLU 30 -8.339 20.596 -19.131 226 HG3 GLU 30 2HG GLU 30 -8.235 22.344 -18.936 227 H GLN 31 H GLN 31 -11.904 19.736 -16.706 228 HA GLN 31 HA GLN 31 -12.706 20.884 -14.215 229 HB2 GLN 31 1HB GLN 31 -14.048 18.879 -16.063 230 HB3 GLN 31 2HB GLN 31 -14.824 19.507 -14.616 231 HG2 GLN 31 1HG GLN 31 -14.733 21.766 -15.484 232 HG3 GLN 31 2HG GLN 31 -13.824 21.202 -16.914 233 HE21 GLN 31 1HE2 GLN 31 -17.673 21.503 -17.314 234 HE22 GLN 31 2HE2 GLN 31 -16.597 22.479 -16.369 235 H LEU 32 H LEU 32 -11.863 17.570 -15.163 236 HA LEU 32 HA LEU 32 -12.530 16.386 -12.630 237 HB2 LEU 32 1HB LEU 32 -10.636 15.527 -14.843 238 HB3 LEU 32 2HB LEU 32 -11.008 14.534 -13.430 239 HG LEU 32 HG LEU 32 -13.100 15.488 -15.414 240 HD11 LEU 32 1HD1 LEU 32 -12.990 13.214 -16.331 241 HD12 LEU 32 2HD1 LEU 32 -11.449 14.079 -16.532 242 HD13 LEU 32 3HD1 LEU 32 -11.619 12.847 -15.259 243 HD21 LEU 32 1HD2 LEU 32 -14.444 13.710 -14.346 244 HD22 LEU 32 2HD2 LEU 32 -13.093 13.349 -13.244 245 HD23 LEU 32 3HD2 LEU 32 -13.921 14.922 -13.152 246 H LYS 33 H LYS 33 -9.571 17.815 -13.971 247 HA LYS 33 HA LYS 33 -7.828 17.189 -11.820 248 HB2 LYS 33 1HB LYS 33 -7.912 19.534 -13.750 249 HB3 LYS 33 2HB LYS 33 -6.633 19.335 -12.560 250 HG2 LYS 33 1HG LYS 33 -5.981 17.203 -13.563 251 HG3 LYS 33 2HG LYS 33 -7.316 17.317 -14.718 252 HD2 LYS 33 1HD LYS 33 -6.331 19.463 -15.569 253 HD3 LYS 33 2HD LYS 33 -4.952 19.215 -14.488 254 HE2 LYS 33 1HE LYS 33 -4.415 17.101 -15.616 255 HE3 LYS 33 2HE LYS 33 -5.829 17.274 -16.658 256 HZ1 LYS 33 1HZ LYS 33 -3.834 17.991 -17.752 257 HZ2 LYS 33 2HZ LYS 33 -4.852 19.274 -17.554 258 HZ3 LYS 33 3HZ LYS 33 -3.530 19.112 -16.581 259 H ASP 34 H ASP 34 -10.168 19.819 -12.242 260 HA ASP 34 HA ASP 34 -9.357 21.382 -10.012 261 HB2 ASP 34 1HB ASP 34 -12.039 21.059 -11.403 262 HB3 ASP 34 2HB ASP 34 -11.792 22.194 -10.083 263 H ILE 35 H ILE 35 -11.769 18.765 -10.275 264 HA ILE 35 HA ILE 35 -12.514 18.983 -7.475 265 HB ILE 35 HB ILE 35 -13.855 16.952 -7.898 266 HG12 ILE 35 1HG1 ILE 35 -12.598 16.906 -10.650 267 HG13 ILE 35 2HG1 ILE 35 -12.140 15.837 -9.333 268 HG21 ILE 35 1HG2 ILE 35 -15.282 17.841 -9.696 269 HG22 ILE 35 2HG2 ILE 35 -14.756 19.138 -8.598 270 HG23 ILE 35 3HG2 ILE 35 -13.980 18.950 -10.188 271 HD11 ILE 35 1HD1 ILE 35 -13.683 14.740 -10.858 272 HD12 ILE 35 2HD1 ILE 35 -14.425 14.937 -9.252 273 HD13 ILE 35 3HD1 ILE 35 -14.889 16.019 -10.587 274 H PHE 36 H PHE 36 -10.060 17.324 -9.267 275 HA PHE 36 HA PHE 36 -9.453 15.402 -7.163 276 HB2 PHE 36 1HB PHE 36 -7.879 16.370 -9.579 277 HB3 PHE 36 2HB PHE 36 -7.299 15.133 -8.475 278 HD1 PHE 36 HD1 PHE 36 -7.592 14.626 -11.348 279 HD2 PHE 36 HD2 PHE 36 -10.430 14.232 -8.180 280 HE1 PHE 36 HE1 PHE 36 -8.800 12.904 -12.647 281 HE2 PHE 36 HE2 PHE 36 -11.640 12.508 -9.474 282 HZ PHE 36 HZ PHE 36 -10.825 11.845 -11.710 283 H SER 37 H SER 37 -8.492 18.678 -8.004 284 HA SER 37 HA SER 37 -6.139 18.762 -6.355 285 HB2 SER 37 1HB SER 37 -6.162 21.118 -6.747 286 HB3 SER 37 2HB SER 37 -6.699 20.345 -8.230 287 HG SER 37 HG SER 37 -8.871 20.645 -7.249 288 H GLU 38 H GLU 38 -9.516 18.904 -5.662 289 HA GLU 38 HA GLU 38 -9.416 20.312 -3.177 290 HB2 GLU 38 1HB GLU 38 -11.282 18.140 -4.202 291 HB3 GLU 38 2HB GLU 38 -11.523 18.975 -2.674 292 HG2 GLU 38 1HG GLU 38 -11.630 21.132 -3.913 293 HG3 GLU 38 2HG GLU 38 -11.497 20.234 -5.424 294 H VAL 39 H VAL 39 -8.649 17.002 -4.083 295 HA VAL 39 HA VAL 39 -8.344 16.105 -1.326 296 HB VAL 39 HB VAL 39 -7.411 14.922 -3.975 297 HG11 VAL 39 1HG1 VAL 39 -6.998 12.860 -2.726 298 HG12 VAL 39 2HG1 VAL 39 -5.949 14.190 -2.181 299 HG13 VAL 39 3HG1 VAL 39 -7.359 13.710 -1.205 300 HG21 VAL 39 1HG2 VAL 39 -9.275 13.342 -3.587 301 HG22 VAL 39 2HG2 VAL 39 -9.702 14.214 -2.096 302 HG23 VAL 39 3HG2 VAL 39 -9.862 15.019 -3.676 303 H GLY 40 H GLY 40 -6.130 17.020 -3.982 304 HA2 GLY 40 1HA GLY 40 -4.247 18.326 -2.314 305 HA3 GLY 40 2HA GLY 40 -3.712 16.664 -2.482 306 HA PRO 41 HA PRO 41 -2.302 19.459 -6.025 307 HB2 PRO 41 1HB PRO 41 0.295 18.138 -5.156 308 HB3 PRO 41 2HB PRO 41 0.026 19.786 -5.737 309 HG2 PRO 41 1HG PRO 41 0.350 19.407 -3.122 310 HG3 PRO 41 2HG PRO 41 -0.912 20.514 -3.674 311 HD2 PRO 41 1HD PRO 41 -1.167 17.627 -2.740 312 HD3 PRO 41 2HD PRO 41 -2.218 19.047 -2.352 313 H VAL 42 H VAL 42 -2.206 18.651 -8.069 314 HA VAL 42 HA VAL 42 -1.911 15.688 -8.328 315 HB VAL 42 HB VAL 42 -3.516 17.628 -10.048 316 HG11 VAL 42 1HG1 VAL 42 -4.363 15.623 -11.165 317 HG12 VAL 42 2HG1 VAL 42 -2.604 15.806 -11.367 318 HG13 VAL 42 3HG1 VAL 42 -3.249 14.620 -10.207 319 HG21 VAL 42 1HG2 VAL 42 -5.471 16.443 -9.102 320 HG22 VAL 42 2HG2 VAL 42 -4.386 15.472 -8.080 321 HG23 VAL 42 3HG2 VAL 42 -4.515 17.228 -7.824 322 H VAL 43 H VAL 43 -0.337 14.916 -9.559 323 HA VAL 43 HA VAL 43 1.531 16.773 -10.795 324 HB VAL 43 HB VAL 43 1.420 13.728 -10.740 325 HG11 VAL 43 1HG1 VAL 43 3.741 13.791 -11.512 326 HG12 VAL 43 2HG1 VAL 43 2.621 14.481 -12.710 327 HG13 VAL 43 3HG1 VAL 43 3.626 15.556 -11.709 328 HG21 VAL 43 1HG2 VAL 43 3.245 13.984 -9.088 329 HG22 VAL 43 2HG2 VAL 43 3.107 15.754 -9.213 330 HG23 VAL 43 3HG2 VAL 43 1.762 14.801 -8.541 331 H SER 44 H SER 44 -0.625 14.174 -11.982 332 HA SER 44 HA SER 44 -0.882 15.549 -14.559 333 HB2 SER 44 1HB SER 44 0.017 13.802 -15.919 334 HB3 SER 44 2HB SER 44 1.246 14.217 -14.735 335 HG SER 44 HG SER 44 1.121 12.332 -13.953 336 H PHE 45 H PHE 45 -2.417 14.469 -16.005 337 HA PHE 45 HA PHE 45 -3.948 12.226 -14.896 338 HB2 PHE 45 1HB PHE 45 -5.098 14.066 -13.801 339 HB3 PHE 45 2HB PHE 45 -5.201 14.967 -15.305 340 HD1 PHE 45 HD1 PHE 45 -6.234 11.692 -13.830 341 HD2 PHE 45 HD2 PHE 45 -7.133 14.852 -16.560 342 HE1 PHE 45 HE1 PHE 45 -8.432 10.661 -14.297 343 HE2 PHE 45 HE2 PHE 45 -9.333 13.825 -17.028 344 HZ PHE 45 HZ PHE 45 -9.982 11.728 -15.896 345 H ARG 46 H ARG 46 -4.875 10.995 -16.433 346 HA ARG 46 HA ARG 46 -5.178 12.170 -19.153 347 HB2 ARG 46 1HB ARG 46 -3.886 9.506 -18.484 348 HB3 ARG 46 2HB ARG 46 -4.389 9.978 -20.100 349 HG2 ARG 46 1HG ARG 46 -2.382 11.536 -18.458 350 HG3 ARG 46 2HG ARG 46 -1.955 10.261 -19.625 351 HD2 ARG 46 1HD ARG 46 -3.091 11.527 -21.383 352 HD3 ARG 46 2HD ARG 46 -3.434 12.816 -20.206 353 HE ARG 46 HE ARG 46 -0.865 12.167 -21.443 354 HH11 ARG 46 1HH1 ARG 46 -2.579 13.935 -18.936 355 HH12 ARG 46 2HH1 ARG 46 -1.292 15.097 -18.702 356 HH21 ARG 46 1HH2 ARG 46 0.797 13.682 -21.129 357 HH22 ARG 46 2HH2 ARG 46 0.619 14.955 -19.942 358 H LEU 47 H LEU 47 -7.209 12.009 -19.764 359 HA LEU 47 HA LEU 47 -8.910 9.885 -18.595 360 HB2 LEU 47 1HB LEU 47 -9.764 12.183 -18.566 361 HB3 LEU 47 2HB LEU 47 -9.579 12.298 -20.319 362 HG LEU 47 HG LEU 47 -11.298 10.486 -20.564 363 HD11 LEU 47 1HD1 LEU 47 -12.672 9.930 -18.608 364 HD12 LEU 47 2HD1 LEU 47 -10.980 9.427 -18.387 365 HD13 LEU 47 3HD1 LEU 47 -11.587 10.889 -17.574 366 HD21 LEU 47 1HD2 LEU 47 -13.196 11.961 -19.987 367 HD22 LEU 47 2HD2 LEU 47 -12.119 12.950 -18.971 368 HD23 LEU 47 3HD2 LEU 47 -11.870 12.886 -20.733 369 H VAL 48 H VAL 48 -9.395 8.085 -19.622 370 HA VAL 48 HA VAL 48 -8.386 7.637 -22.313 371 HB VAL 48 HB VAL 48 -10.102 5.893 -20.494 372 HG11 VAL 48 1HG1 VAL 48 -9.438 4.043 -21.952 373 HG12 VAL 48 2HG1 VAL 48 -10.390 5.269 -22.822 374 HG13 VAL 48 3HG1 VAL 48 -8.625 5.193 -23.039 375 HG21 VAL 48 1HG2 VAL 48 -7.968 4.714 -20.069 376 HG22 VAL 48 2HG2 VAL 48 -7.115 5.891 -21.096 377 HG23 VAL 48 3HG2 VAL 48 -7.871 6.420 -19.574 378 H TYR 49 H TYR 49 -9.421 7.728 -24.197 379 HA TYR 49 HA TYR 49 -12.381 7.817 -24.226 380 HB2 TYR 49 1HB TYR 49 -12.475 9.876 -25.494 381 HB3 TYR 49 2HB TYR 49 -11.593 10.183 -24.005 382 HD1 TYR 49 HD1 TYR 49 -11.402 9.996 -27.645 383 HD2 TYR 49 HD2 TYR 49 -9.160 10.535 -24.026 384 HE1 TYR 49 HE1 TYR 49 -9.511 10.906 -28.951 385 HE2 TYR 49 HE2 TYR 49 -7.270 11.445 -25.332 386 HH TYR 49 HH TYR 49 -7.451 11.735 -28.873 387 H ASP 50 H ASP 50 -13.284 7.698 -26.408 388 HA ASP 50 HA ASP 50 -11.993 5.581 -27.862 389 HB2 ASP 50 1HB ASP 50 -14.495 5.992 -27.700 390 HB3 ASP 50 2HB ASP 50 -14.288 7.340 -28.809 391 H ARG 51 H ARG 51 -10.580 5.612 -29.462 392 HA ARG 51 HA ARG 51 -9.108 7.917 -30.058 393 HB2 ARG 51 1HB ARG 51 -8.296 5.627 -30.463 394 HB3 ARG 51 2HB ARG 51 -9.458 5.429 -31.766 395 HG2 ARG 51 1HG ARG 51 -8.324 7.337 -32.959 396 HG3 ARG 51 2HG ARG 51 -7.069 7.280 -31.698 397 HD2 ARG 51 1HD ARG 51 -6.321 6.019 -33.557 398 HD3 ARG 51 2HD ARG 51 -6.736 4.885 -32.251 399 HE ARG 51 HE ARG 51 -8.910 5.358 -34.103 400 HH11 ARG 51 1HH1 ARG 51 -6.005 3.480 -33.491 401 HH12 ARG 51 2HH1 ARG 51 -6.503 2.145 -34.505 402 HH21 ARG 51 1HH2 ARG 51 -9.545 3.619 -35.418 403 HH22 ARG 51 2HH2 ARG 51 -8.507 2.222 -35.597 404 H GLU 52 H GLU 52 -11.824 6.470 -31.860 405 HA GLU 52 HA GLU 52 -11.436 8.457 -34.015 406 HB2 GLU 52 1HB GLU 52 -13.277 6.043 -33.776 407 HB3 GLU 52 2HB GLU 52 -13.215 7.104 -35.177 408 HG2 GLU 52 1HG GLU 52 -10.878 6.497 -35.563 409 HG3 GLU 52 2HG GLU 52 -10.888 5.479 -34.125 410 H THR 53 H THR 53 -13.847 7.478 -31.600 411 HA THR 53 HA THR 53 -15.839 9.351 -32.596 412 HB THR 53 HB THR 53 -15.737 7.818 -29.962 413 HG1 THR 53 HG1 THR 53 -15.866 6.338 -31.595 414 HG21 THR 53 1HG2 THR 53 -18.166 8.229 -29.918 415 HG22 THR 53 2HG2 THR 53 -17.261 9.762 -29.909 416 HG23 THR 53 3HG2 THR 53 -18.034 9.194 -31.407 417 H GLY 54 H GLY 54 -13.589 9.246 -29.839 418 HA2 GLY 54 1HA GLY 54 -12.562 11.211 -28.922 419 HA3 GLY 54 2HA GLY 54 -13.842 12.197 -29.603 420 H LYS 55 H LYS 55 -15.385 9.563 -28.366 421 HA LYS 55 HA LYS 55 -16.293 11.105 -26.037 422 HB2 LYS 55 1HB LYS 55 -17.908 9.922 -27.523 423 HB3 LYS 55 2HB LYS 55 -17.185 8.384 -27.073 424 HG2 LYS 55 1HG LYS 55 -17.870 8.722 -24.738 425 HG3 LYS 55 2HG LYS 55 -18.563 10.294 -25.162 426 HD2 LYS 55 1HD LYS 55 -20.138 9.198 -26.711 427 HD3 LYS 55 2HD LYS 55 -19.432 7.622 -26.325 428 HE2 LYS 55 1HE LYS 55 -20.088 7.931 -23.946 429 HE3 LYS 55 2HE LYS 55 -20.833 9.476 -24.364 430 HZ1 LYS 55 1HZ LYS 55 -22.438 7.714 -24.288 431 HZ2 LYS 55 2HZ LYS 55 -22.323 8.295 -25.828 432 HZ3 LYS 55 3HZ LYS 55 -21.628 6.852 -25.437 433 HA PRO 56 HA PRO 56 -13.482 9.265 -23.213 434 HB2 PRO 56 1HB PRO 56 -15.746 10.022 -21.325 435 HB3 PRO 56 2HB PRO 56 -14.009 10.299 -21.142 436 HG2 PRO 56 1HG PRO 56 -15.530 12.342 -21.902 437 HG3 PRO 56 2HG PRO 56 -13.984 12.086 -22.717 438 HD2 PRO 56 1HD PRO 56 -16.788 11.350 -23.646 439 HD3 PRO 56 2HD PRO 56 -15.423 12.066 -24.594 440 H LYS 57 H LYS 57 -13.305 7.259 -22.269 441 HA LYS 57 HA LYS 57 -15.522 5.392 -22.668 442 HB2 LYS 57 1HB LYS 57 -12.736 5.004 -21.502 443 HB3 LYS 57 2HB LYS 57 -13.888 3.706 -21.789 444 HG2 LYS 57 1HG LYS 57 -12.748 5.518 -23.939 445 HG3 LYS 57 2HG LYS 57 -12.174 3.888 -23.557 446 HD2 LYS 57 1HD LYS 57 -14.419 2.979 -24.093 447 HD3 LYS 57 2HD LYS 57 -14.975 4.610 -24.497 448 HE2 LYS 57 1HE LYS 57 -13.193 4.734 -26.252 449 HE3 LYS 57 2HE LYS 57 -12.763 3.060 -25.893 450 HZ1 LYS 57 1HZ LYS 57 -14.248 3.209 -27.753 451 HZ2 LYS 57 2HZ LYS 57 -14.991 2.417 -26.511 452 HZ3 LYS 57 3HZ LYS 57 -15.391 3.980 -26.849 453 H GLY 58 H GLY 58 -14.396 7.397 -20.136 454 HA2 GLY 58 1HA GLY 58 -15.922 7.846 -18.314 455 HA3 GLY 58 2HA GLY 58 -16.490 6.189 -18.393 456 H TYR 59 H TYR 59 -13.091 6.519 -18.719 457 HA TYR 59 HA TYR 59 -12.515 6.562 -15.849 458 HB2 TYR 59 1HB TYR 59 -11.375 4.375 -15.817 459 HB3 TYR 59 2HB TYR 59 -13.094 4.195 -16.141 460 HD1 TYR 59 HD1 TYR 59 -9.714 4.041 -17.610 461 HD2 TYR 59 HD2 TYR 59 -13.902 3.351 -18.236 462 HE1 TYR 59 HE1 TYR 59 -9.196 2.742 -19.647 463 HE2 TYR 59 HE2 TYR 59 -13.383 2.052 -20.274 464 HH TYR 59 HH TYR 59 -10.031 1.429 -21.255 465 H GLY 60 H GLY 60 -10.210 6.541 -15.381 466 HA2 GLY 60 1HA GLY 60 -8.268 6.712 -17.517 467 HA3 GLY 60 2HA GLY 60 -8.723 8.314 -16.969 468 H PHE 61 H PHE 61 -6.359 8.310 -16.408 469 HA PHE 61 HA PHE 61 -5.938 7.079 -13.716 470 HB2 PHE 61 1HB PHE 61 -3.895 7.456 -15.942 471 HB3 PHE 61 2HB PHE 61 -3.520 6.904 -14.318 472 HD1 PHE 61 HD1 PHE 61 -5.054 6.020 -17.522 473 HD2 PHE 61 HD2 PHE 61 -4.134 4.676 -13.573 474 HE1 PHE 61 HE1 PHE 61 -5.501 3.689 -18.214 475 HE2 PHE 61 HE2 PHE 61 -4.577 2.343 -14.261 476 HZ PHE 61 HZ PHE 61 -5.262 1.850 -16.582 477 H CYS 62 H CYS 62 -5.069 8.314 -12.142 478 HA CYS 62 HA CYS 62 -4.308 11.104 -12.889 479 HB2 CYS 62 1HB CYS 62 -6.591 11.066 -11.909 480 HB3 CYS 62 2HB CYS 62 -5.964 10.260 -10.478 481 HG CYS 62 HG CYS 62 -5.054 13.186 -11.659 482 H GLU 63 H GLU 63 -2.391 11.719 -12.174 483 HA GLU 63 HA GLU 63 -1.068 10.015 -10.120 484 HB2 GLU 63 1HB GLU 63 0.068 10.254 -12.329 485 HB3 GLU 63 2HB GLU 63 0.147 11.994 -12.091 486 HG2 GLU 63 1HG GLU 63 1.576 11.680 -10.127 487 HG3 GLU 63 2HG GLU 63 1.470 9.931 -10.317 488 H TYR 64 H TYR 64 -0.879 10.730 -8.133 489 HA TYR 64 HA TYR 64 -1.351 13.628 -7.650 490 HB2 TYR 64 1HB TYR 64 -1.595 11.182 -5.861 491 HB3 TYR 64 2HB TYR 64 -1.693 12.826 -5.247 492 HD1 TYR 64 HD1 TYR 64 -3.324 10.308 -7.397 493 HD2 TYR 64 HD2 TYR 64 -3.634 14.186 -5.588 494 HE1 TYR 64 HE1 TYR 64 -5.735 10.369 -7.939 495 HE2 TYR 64 HE2 TYR 64 -6.044 14.247 -6.130 496 HH TYR 64 HH TYR 64 -7.607 11.567 -7.869 497 H GLN 65 H GLN 65 -0.164 14.682 -5.907 498 HA GLN 65 HA GLN 65 2.605 14.589 -6.544 499 HB2 GLN 65 1HB GLN 65 1.425 16.616 -5.712 500 HB3 GLN 65 2HB GLN 65 1.246 15.862 -4.134 501 HG2 GLN 65 1HG GLN 65 3.068 17.409 -4.059 502 HG3 GLN 65 2HG GLN 65 3.726 15.752 -3.948 503 HE21 GLN 65 1HE2 GLN 65 5.979 16.342 -6.503 504 HE22 GLN 65 2HE2 GLN 65 5.603 15.619 -4.974 505 H ASP 66 H ASP 66 0.788 13.312 -3.770 506 HA ASP 66 HA ASP 66 3.201 11.701 -3.083 507 HB2 ASP 66 1HB ASP 66 1.460 13.312 -1.183 508 HB3 ASP 66 2HB ASP 66 2.503 12.006 -0.639 509 H GLN 67 H GLN 67 2.796 9.722 -2.014 510 HA GLN 67 HA GLN 67 0.542 8.285 -2.959 511 HB2 GLN 67 1HB GLN 67 2.688 7.243 -2.233 512 HB3 GLN 67 2HB GLN 67 2.314 7.650 -0.565 513 HG2 GLN 67 1HG GLN 67 0.337 6.209 -0.635 514 HG3 GLN 67 2HG GLN 67 0.699 5.805 -2.337 515 HE21 GLN 67 1HE2 GLN 67 2.031 2.969 -0.535 516 HE22 GLN 67 2HE2 GLN 67 0.519 3.624 -1.069 517 H GLU 68 H GLU 68 1.077 10.073 0.032 518 HA GLU 68 HA GLU 68 -1.198 9.133 1.460 519 HB2 GLU 68 1HB GLU 68 0.272 11.795 1.533 520 HB3 GLU 68 2HB GLU 68 -1.023 11.380 2.648 521 HG2 GLU 68 1HG GLU 68 0.271 9.493 3.497 522 HG3 GLU 68 2HG GLU 68 1.553 9.824 2.334 523 H THR 69 H THR 69 -0.809 11.734 -0.923 524 HA THR 69 HA THR 69 -3.583 12.590 -0.679 525 HB THR 69 HB THR 69 -3.081 13.982 -2.683 526 HG1 THR 69 HG1 THR 69 -1.096 12.164 -2.956 527 HG21 THR 69 1HG2 THR 69 -1.326 15.369 -1.652 528 HG22 THR 69 2HG2 THR 69 -2.494 14.810 -0.431 529 HG23 THR 69 3HG2 THR 69 -0.901 14.029 -0.562 530 H ALA 70 H ALA 70 -1.774 10.321 -2.653 531 HA ALA 70 HA ALA 70 -3.853 9.824 -4.567 532 HB1 ALA 70 1HB ALA 70 -2.634 7.717 -5.007 533 HB2 ALA 70 2HB ALA 70 -1.534 9.115 -4.943 534 HB3 ALA 70 3HB ALA 70 -1.639 8.001 -3.560 535 H LEU 71 H LEU 71 -3.024 8.321 -1.447 536 HA LEU 71 HA LEU 71 -5.180 6.396 -1.590 537 HB2 LEU 71 1HB LEU 71 -3.483 7.396 0.721 538 HB3 LEU 71 2HB LEU 71 -4.666 6.093 0.861 539 HG LEU 71 HG LEU 71 -2.222 6.031 -0.945 540 HD11 LEU 71 1HD1 LEU 71 -1.330 4.452 0.709 541 HD12 LEU 71 2HD1 LEU 71 -1.613 6.058 1.420 542 HD13 LEU 71 3HD1 LEU 71 -2.752 4.729 1.741 543 HD21 LEU 71 1HD2 LEU 71 -2.806 3.638 -1.151 544 HD22 LEU 71 2HD2 LEU 71 -4.250 3.903 -0.144 545 HD23 LEU 71 3HD2 LEU 71 -4.127 4.673 -1.745 546 H SER 72 H SER 72 -4.782 9.631 -0.223 547 HA SER 72 HA SER 72 -7.248 9.760 1.193 548 HB2 SER 72 1HB SER 72 -5.650 11.913 -0.228 549 HB3 SER 72 2HB SER 72 -7.027 12.238 0.814 550 HG SER 72 HG SER 72 -4.514 11.216 1.423 551 H ALA 73 H ALA 73 -6.436 10.467 -2.205 552 HA ALA 73 HA ALA 73 -9.022 11.284 -3.027 553 HB1 ALA 73 1HB ALA 73 -8.292 10.619 -5.296 554 HB2 ALA 73 2HB ALA 73 -7.031 11.538 -4.440 555 HB3 ALA 73 3HB ALA 73 -6.898 9.771 -4.589 556 H MET 74 H MET 74 -7.556 8.032 -2.915 557 HA MET 74 HA MET 74 -9.759 6.568 -3.885 558 HB2 MET 74 1HB MET 74 -7.604 5.514 -3.489 559 HB3 MET 74 2HB MET 74 -7.693 5.858 -1.768 560 HG2 MET 74 1HG MET 74 -9.675 4.348 -1.610 561 HG3 MET 74 2HG MET 74 -9.464 3.947 -3.316 562 HE1 MET 74 1HE MET 74 -6.524 2.843 0.076 563 HE2 MET 74 2HE MET 74 -6.825 4.532 -0.402 564 HE3 MET 74 3HE MET 74 -8.134 3.563 0.318 565 H ARG 75 H ARG 75 -9.120 7.812 -0.621 566 HA ARG 75 HA ARG 75 -11.390 6.344 0.490 567 HB2 ARG 75 1HB ARG 75 -9.528 8.429 1.674 568 HB3 ARG 75 2HB ARG 75 -10.805 7.629 2.578 569 HG2 ARG 75 1HG ARG 75 -9.727 5.461 2.232 570 HG3 ARG 75 2HG ARG 75 -8.451 6.243 1.268 571 HD2 ARG 75 1HD ARG 75 -9.089 6.882 4.138 572 HD3 ARG 75 2HD ARG 75 -7.794 5.794 3.588 573 HE ARG 75 HE ARG 75 -7.392 8.184 2.238 574 HH11 ARG 75 1HH1 ARG 75 -7.541 7.137 5.588 575 HH12 ARG 75 2HH1 ARG 75 -6.429 8.365 6.152 576 HH21 ARG 75 1HH2 ARG 75 -5.950 9.772 2.982 577 HH22 ARG 75 2HH2 ARG 75 -5.528 9.857 4.678 578 H ASN 76 H ASN 76 -10.790 9.500 -0.852 579 HA ASN 76 HA ASN 76 -13.166 10.631 0.523 580 HB2 ASN 76 1HB ASN 76 -10.910 11.880 -1.069 581 HB3 ASN 76 2HB ASN 76 -12.329 12.783 -0.556 582 HD21 ASN 76 1HD2 ASN 76 -9.587 13.183 1.928 583 HD22 ASN 76 2HD2 ASN 76 -9.735 13.429 0.220 584 H LEU 77 H LEU 77 -11.860 10.191 -2.773 585 HA LEU 77 HA LEU 77 -14.189 11.542 -3.906 586 HB2 LEU 77 1HB LEU 77 -11.829 10.121 -5.188 587 HB3 LEU 77 2HB LEU 77 -13.080 10.986 -6.087 588 HG LEU 77 HG LEU 77 -11.206 12.260 -4.061 589 HD11 LEU 77 1HD1 LEU 77 -10.103 13.220 -6.032 590 HD12 LEU 77 2HD1 LEU 77 -10.007 11.444 -6.026 591 HD13 LEU 77 3HD1 LEU 77 -11.168 12.269 -7.093 592 HD21 LEU 77 1HD2 LEU 77 -12.092 14.362 -5.013 593 HD22 LEU 77 2HD2 LEU 77 -13.187 13.428 -6.060 594 HD23 LEU 77 3HD2 LEU 77 -13.395 13.386 -4.293 595 H ASN 78 H ASN 78 -13.191 8.276 -3.258 596 HA ASN 78 HA ASN 78 -14.843 6.998 -5.246 597 HB2 ASN 78 1HB ASN 78 -12.895 5.908 -4.158 598 HB3 ASN 78 2HB ASN 78 -13.765 5.897 -2.629 599 HD21 ASN 78 1HD2 ASN 78 -14.119 2.762 -4.884 600 HD22 ASN 78 2HD2 ASN 78 -12.777 3.850 -4.754 601 H GLY 79 H GLY 79 -16.943 7.214 -5.354 602 HA2 GLY 79 1HA GLY 79 -19.109 6.529 -4.570 603 HA3 GLY 79 2HA GLY 79 -18.534 6.610 -2.916 604 H ARG 80 H ARG 80 -17.258 9.294 -4.267 605 HA ARG 80 HA ARG 80 -19.285 11.035 -3.095 606 HB2 ARG 80 1HB ARG 80 -16.881 11.542 -2.884 607 HB3 ARG 80 2HB ARG 80 -16.745 11.687 -4.630 608 HG2 ARG 80 1HG ARG 80 -18.227 13.631 -4.613 609 HG3 ARG 80 2HG ARG 80 -18.427 13.471 -2.851 610 HD2 ARG 80 1HD ARG 80 -16.097 13.884 -2.505 611 HD3 ARG 80 2HD ARG 80 -15.804 13.902 -4.260 612 HE ARG 80 HE ARG 80 -17.790 15.828 -3.501 613 HH11 ARG 80 1HH1 ARG 80 -14.329 15.229 -3.547 614 HH12 ARG 80 2HH1 ARG 80 -13.909 16.926 -3.600 615 HH21 ARG 80 1HH2 ARG 80 -17.233 18.028 -3.571 616 HH22 ARG 80 2HH2 ARG 80 -15.552 18.511 -3.614 617 H GLU 81 H GLU 81 -21.062 11.622 -4.109 618 HA GLU 81 HA GLU 81 -21.234 11.381 -7.029 619 HB2 GLU 81 1HB GLU 81 -23.092 10.629 -5.550 620 HB3 GLU 81 2HB GLU 81 -23.310 12.280 -4.988 621 HG2 GLU 81 1HG GLU 81 -23.898 12.987 -7.266 622 HG3 GLU 81 2HG GLU 81 -23.664 11.338 -7.842 623 H PHE 82 H PHE 82 -20.685 12.933 -8.364 624 HA PHE 82 HA PHE 82 -20.690 15.738 -7.400 625 HB2 PHE 82 1HB PHE 82 -19.556 14.438 -9.906 626 HB3 PHE 82 2HB PHE 82 -19.520 16.168 -9.605 627 HD1 PHE 82 HD1 PHE 82 -18.238 12.895 -8.504 628 HD2 PHE 82 HD2 PHE 82 -17.985 17.135 -8.041 629 HE1 PHE 82 HE1 PHE 82 -16.129 12.630 -7.243 630 HE2 PHE 82 HE2 PHE 82 -15.874 16.874 -6.782 631 HZ PHE 82 HZ PHE 82 -14.946 14.620 -6.382 632 H SER 83 H SER 83 -21.047 17.171 -9.656 633 HA SER 83 HA SER 83 -23.897 17.212 -9.911 634 HB2 SER 83 1HB SER 83 -23.549 18.994 -11.495 635 HB3 SER 83 2HB SER 83 -22.397 19.186 -10.182 636 HG SER 83 HG SER 83 -22.000 18.252 -12.784 637 H GLY 84 H GLY 84 -21.438 15.444 -11.565 638 HA2 GLY 84 1HA GLY 84 -23.338 14.706 -13.743 639 HA3 GLY 84 2HA GLY 84 -21.614 14.386 -13.738 640 H ARG 85 H ARG 85 -20.789 12.813 -12.128 641 HA ARG 85 HA ARG 85 -22.838 10.851 -11.238 642 HB2 ARG 85 1HB ARG 85 -20.397 10.179 -12.916 643 HB3 ARG 85 2HB ARG 85 -21.422 8.995 -12.119 644 HG2 ARG 85 1HG ARG 85 -22.430 10.947 -14.200 645 HG3 ARG 85 2HG ARG 85 -21.862 9.297 -14.555 646 HD2 ARG 85 1HD ARG 85 -23.557 8.434 -12.989 647 HD3 ARG 85 2HD ARG 85 -24.168 10.094 -12.797 648 HE ARG 85 HE ARG 85 -24.464 8.342 -15.121 649 HH11 ARG 85 1HH1 ARG 85 -24.773 11.580 -13.794 650 HH12 ARG 85 2HH1 ARG 85 -25.902 12.110 -15.021 651 HH21 ARG 85 1HH2 ARG 85 -25.929 9.042 -16.708 652 HH22 ARG 85 2HH2 ARG 85 -26.557 10.674 -16.671 653 H ALA 86 H ALA 86 -21.836 9.119 -9.845 654 HA ALA 86 HA ALA 86 -19.829 10.300 -8.049 655 HB1 ALA 86 1HB ALA 86 -20.232 8.287 -6.670 656 HB2 ALA 86 2HB ALA 86 -21.750 9.121 -7.077 657 HB3 ALA 86 3HB ALA 86 -21.290 7.637 -7.943 658 H LEU 87 H LEU 87 -17.745 9.776 -7.891 659 HA LEU 87 HA LEU 87 -16.658 8.312 -10.185 660 HB2 LEU 87 1HB LEU 87 -15.317 9.800 -7.900 661 HB3 LEU 87 2HB LEU 87 -14.461 9.082 -9.268 662 HG LEU 87 HG LEU 87 -16.463 11.364 -9.410 663 HD11 LEU 87 1HD1 LEU 87 -14.491 12.691 -10.024 664 HD12 LEU 87 2HD1 LEU 87 -14.330 11.985 -8.398 665 HD13 LEU 87 3HD1 LEU 87 -13.455 11.267 -9.772 666 HD21 LEU 87 1HD2 LEU 87 -15.792 11.465 -11.787 667 HD22 LEU 87 2HD2 LEU 87 -14.773 10.023 -11.560 668 HD23 LEU 87 3HD2 LEU 87 -16.541 9.897 -11.399 669 H ARG 88 H ARG 88 -15.425 6.475 -10.158 670 HA ARG 88 HA ARG 88 -15.381 4.982 -7.575 671 HB2 ARG 88 1HB ARG 88 -16.521 3.864 -9.477 672 HB3 ARG 88 2HB ARG 88 -15.035 3.949 -10.411 673 HG2 ARG 88 1HG ARG 88 -13.919 2.431 -8.922 674 HG3 ARG 88 2HG ARG 88 -15.286 2.472 -7.781 675 HD2 ARG 88 1HD ARG 88 -16.720 1.501 -9.507 676 HD3 ARG 88 2HD ARG 88 -15.316 1.406 -10.595 677 HE ARG 88 HE ARG 88 -15.825 -0.220 -8.196 678 HH11 ARG 88 1HH1 ARG 88 -13.704 0.618 -10.867 679 HH12 ARG 88 2HH1 ARG 88 -12.751 -0.843 -10.734 680 HH21 ARG 88 1HH2 ARG 88 -14.581 -2.113 -8.032 681 HH22 ARG 88 2HH2 ARG 88 -13.247 -2.390 -9.129 682 H VAL 89 H VAL 89 -13.536 5.659 -6.576 683 HA VAL 89 HA VAL 89 -11.100 5.908 -8.285 684 HB VAL 89 HB VAL 89 -11.781 7.311 -5.665 685 HG11 VAL 89 1HG1 VAL 89 -9.799 8.671 -6.124 686 HG12 VAL 89 2HG1 VAL 89 -9.393 6.951 -5.915 687 HG13 VAL 89 3HG1 VAL 89 -9.439 7.664 -7.546 688 HG21 VAL 89 1HG2 VAL 89 -11.991 9.325 -7.087 689 HG22 VAL 89 2HG2 VAL 89 -11.701 8.331 -8.534 690 HG23 VAL 89 3HG2 VAL 89 -13.168 8.078 -7.559 691 H ASP 90 H ASP 90 -9.394 4.675 -7.885 692 HA ASP 90 HA ASP 90 -8.806 3.703 -5.199 693 HB2 ASP 90 1HB ASP 90 -10.583 2.104 -6.202 694 HB3 ASP 90 2HB ASP 90 -9.318 1.585 -7.308 695 H ASN 91 H ASN 91 -6.708 3.052 -4.946 696 HA ASN 91 HA ASN 91 -4.862 4.224 -6.748 697 HB2 ASN 91 1HB ASN 91 -4.526 3.700 -4.281 698 HB3 ASN 91 2HB ASN 91 -4.227 2.032 -4.753 699 HD21 ASN 91 1HD2 ASN 91 -1.190 4.475 -4.683 700 HD22 ASN 91 2HD2 ASN 91 -2.650 4.573 -3.756 701 H ALA 92 H ALA 92 -3.864 3.597 -8.524 702 HA ALA 92 HA ALA 92 -4.986 1.251 -9.804 703 HB1 ALA 92 1HB ALA 92 -3.673 1.990 -11.766 704 HB2 ALA 92 2HB ALA 92 -4.610 3.327 -11.057 705 HB3 ALA 92 3HB ALA 92 -2.861 3.206 -10.754 706 H ALA 93 H ALA 93 -2.327 1.735 -7.798 707 HA ALA 93 HA ALA 93 -0.466 -0.093 -9.003 708 HB1 ALA 93 1HB ALA 93 0.628 -0.084 -6.785 709 HB2 ALA 93 2HB ALA 93 0.230 1.563 -7.331 710 HB3 ALA 93 3HB ALA 93 -0.779 0.764 -6.103 711 H SER 94 H SER 94 -3.383 -0.527 -7.227 712 HA SER 94 HA SER 94 -2.827 -3.064 -6.033 713 HB2 SER 94 1HB SER 94 -4.731 -1.712 -5.349 714 HB3 SER 94 2HB SER 94 -5.433 -1.813 -6.956 715 HG SER 94 HG SER 94 -6.155 -3.300 -5.242 716 H GLU 95 H GLU 95 -3.034 -5.128 -6.712 717 HA GLU 95 HA GLU 95 -2.706 -5.600 -9.529 718 HB2 GLU 95 1HB GLU 95 -3.205 -7.508 -7.210 719 HB3 GLU 95 2HB GLU 95 -2.833 -8.029 -8.847 720 HG2 GLU 95 1HG GLU 95 -1.043 -6.350 -7.077 721 HG3 GLU 95 2HG GLU 95 -0.874 -8.076 -7.385 722 H LYS 96 H LYS 96 -5.445 -5.760 -7.327 723 HA LYS 96 HA LYS 96 -7.229 -7.188 -9.035 724 HB2 LYS 96 1HB LYS 96 -7.720 -5.124 -6.858 725 HB3 LYS 96 2HB LYS 96 -9.021 -5.968 -7.686 726 HG2 LYS 96 1HG LYS 96 -8.150 -8.127 -6.881 727 HG3 LYS 96 2HG LYS 96 -6.828 -7.286 -6.059 728 HD2 LYS 96 1HD LYS 96 -8.474 -6.043 -4.687 729 HD3 LYS 96 2HD LYS 96 -9.793 -6.895 -5.505 730 HE2 LYS 96 1HE LYS 96 -8.942 -9.049 -4.663 731 HE3 LYS 96 2HE LYS 96 -7.594 -8.223 -3.876 732 HZ1 LYS 96 1HZ LYS 96 -9.365 -8.677 -2.345 733 HZ2 LYS 96 2HZ LYS 96 -9.184 -7.047 -2.517 734 HZ3 LYS 96 3HZ LYS 96 -10.443 -7.819 -3.252 735 H ASN 97 H ASN 97 -6.431 -3.740 -8.781 736 HA ASN 97 HA ASN 97 -8.383 -2.880 -10.716 737 HB2 ASN 97 1HB ASN 97 -5.811 -1.640 -9.698 738 HB3 ASN 97 2HB ASN 97 -6.857 -0.846 -10.868 739 HD21 ASN 97 1HD2 ASN 97 -7.655 0.188 -7.346 740 HD22 ASN 97 2HD2 ASN 97 -6.181 0.076 -8.247 741 H LYS 98 H LYS 98 -5.029 -3.979 -10.952 742 HA LYS 98 HA LYS 98 -4.658 -3.417 -13.717 743 HB2 LYS 98 1HB LYS 98 -3.504 -5.598 -11.939 744 HB3 LYS 98 2HB LYS 98 -2.983 -5.325 -13.596 745 HG2 LYS 98 1HG LYS 98 -2.243 -3.056 -13.010 746 HG3 LYS 98 2HG LYS 98 -2.803 -3.296 -11.349 747 HD2 LYS 98 1HD LYS 98 -1.234 -5.238 -11.145 748 HD3 LYS 98 2HD LYS 98 -0.626 -4.875 -12.767 749 HE2 LYS 98 1HE LYS 98 0.096 -2.646 -12.021 750 HE3 LYS 98 2HE LYS 98 -0.560 -2.953 -10.411 751 HZ1 LYS 98 1HZ LYS 98 1.792 -3.339 -10.493 752 HZ2 LYS 98 2HZ LYS 98 1.007 -4.756 -10.180 753 HZ3 LYS 98 3HZ LYS 98 1.621 -4.468 -11.683 754 H GLU 99 H GLU 99 -6.140 -6.174 -12.049 755 HA GLU 99 HA GLU 99 -6.533 -7.753 -14.416 756 HB2 GLU 99 1HB GLU 99 -7.945 -7.732 -11.721 757 HB3 GLU 99 2HB GLU 99 -8.292 -8.906 -12.983 758 HG2 GLU 99 1HG GLU 99 -5.610 -8.501 -11.640 759 HG3 GLU 99 2HG GLU 99 -6.767 -9.781 -11.281 760 H GLU 100 H GLU 100 -8.485 -5.290 -12.771 761 HA GLU 100 HA GLU 100 -10.770 -5.493 -14.480 762 HB2 GLU 100 1HB GLU 100 -9.625 -3.167 -12.889 763 HB3 GLU 100 2HB GLU 100 -11.149 -3.079 -13.760 764 HG2 GLU 100 1HG GLU 100 -12.009 -4.964 -12.394 765 HG3 GLU 100 2HG GLU 100 -10.496 -4.971 -11.491 766 H LEU 101 H LEU 101 -7.739 -3.659 -14.721 767 HA LEU 101 HA LEU 101 -8.451 -2.183 -17.064 768 HB2 LEU 101 1HB LEU 101 -5.772 -3.059 -15.941 769 HB3 LEU 101 2HB LEU 101 -5.932 -2.016 -17.357 770 HG LEU 101 HG LEU 101 -6.974 -1.338 -14.584 771 HD11 LEU 101 1HD1 LEU 101 -5.074 0.214 -14.498 772 HD12 LEU 101 2HD1 LEU 101 -4.537 -1.477 -14.627 773 HD13 LEU 101 3HD1 LEU 101 -4.489 -0.416 -16.056 774 HD21 LEU 101 1HD2 LEU 101 -7.236 0.916 -15.564 775 HD22 LEU 101 2HD2 LEU 101 -6.681 0.296 -17.138 776 HD23 LEU 101 3HD2 LEU 101 -8.214 -0.283 -16.445 777 H LYS 102 H LYS 102 -7.113 -5.412 -16.565 778 HA LYS 102 HA LYS 102 -6.477 -5.976 -19.289 779 HB2 LYS 102 1HB LYS 102 -7.298 -7.767 -16.975 780 HB3 LYS 102 2HB LYS 102 -6.848 -8.398 -18.553 781 HG2 LYS 102 1HG LYS 102 -4.614 -7.413 -18.342 782 HG3 LYS 102 2HG LYS 102 -5.059 -6.706 -16.783 783 HD2 LYS 102 1HD LYS 102 -5.481 -8.990 -15.888 784 HD3 LYS 102 2HD LYS 102 -4.977 -9.674 -17.440 785 HE2 LYS 102 1HE LYS 102 -2.740 -8.691 -17.173 786 HE3 LYS 102 2HE LYS 102 -3.233 -7.936 -15.655 787 HZ1 LYS 102 1HZ LYS 102 -2.037 -9.966 -15.283 788 HZ2 LYS 102 2HZ LYS 102 -3.588 -10.129 -14.747 789 HZ3 LYS 102 3HZ LYS 102 -3.126 -10.834 -16.165 790 H SER 103 H SER 103 -9.490 -6.302 -17.436 791 HA SER 103 HA SER 103 -10.940 -7.500 -19.642 792 HB2 SER 103 1HB SER 103 -12.880 -7.262 -18.251 793 HB3 SER 103 2HB SER 103 -11.543 -7.760 -17.225 794 HG SER 103 HG SER 103 -11.310 -5.295 -17.098 795 H LEU 104 H LEU 104 -10.284 -4.233 -18.545 796 HA LEU 104 HA LEU 104 -12.212 -2.995 -20.335 797 HB2 LEU 104 1HB LEU 104 -9.804 -1.927 -18.828 798 HB3 LEU 104 2HB LEU 104 -10.850 -0.916 -19.829 799 HG LEU 104 HG LEU 104 -11.786 -2.486 -17.402 800 HD11 LEU 104 1HD1 LEU 104 -11.840 -0.300 -16.286 801 HD12 LEU 104 2HD1 LEU 104 -10.190 -0.744 -16.783 802 HD13 LEU 104 3HD1 LEU 104 -11.113 0.453 -17.725 803 HD21 LEU 104 1HD2 LEU 104 -13.800 -1.075 -17.650 804 HD22 LEU 104 2HD2 LEU 104 -13.101 -0.332 -19.109 805 HD23 LEU 104 3HD2 LEU 104 -13.525 -2.061 -19.106 806 H GLY 105 H GLY 105 -8.853 -4.014 -20.514 807 HA2 GLY 105 1HA GLY 105 -7.609 -4.400 -22.477 808 HA3 GLY 105 2HA GLY 105 -8.878 -3.651 -23.427 809 H THR 106 H THR 106 -7.440 -2.151 -20.572 810 HA THR 106 HA THR 106 -6.099 -0.169 -22.363 811 HB THR 106 HB THR 106 -7.653 0.408 -19.804 812 HG1 THR 106 HG1 THR 106 -8.210 0.562 -22.530 813 HG21 THR 106 1HG2 THR 106 -7.120 2.766 -20.278 814 HG22 THR 106 2HG2 THR 106 -5.636 1.819 -20.014 815 HG23 THR 106 3HG2 THR 106 -6.124 2.267 -21.665 Start of MODEL 6 1 H MET 1 1H MET 1 13.985 -5.545 3.271 2 HA MET 1 HA MET 1 12.705 -4.718 5.083 3 HB2 MET 1 1HB MET 1 15.536 -3.613 4.916 4 HB3 MET 1 2HB MET 1 14.615 -3.830 6.397 5 HG2 MET 1 1HG MET 1 15.498 -6.045 4.525 6 HG3 MET 1 2HG MET 1 16.245 -5.624 6.068 7 HE1 MET 1 1HE MET 1 13.572 -6.656 8.683 8 HE2 MET 1 2HE MET 1 15.252 -6.134 8.407 9 HE3 MET 1 3HE MET 1 13.903 -5.037 8.022 10 H ALA 2 H ALA 2 11.917 -3.013 6.289 11 HA ALA 2 HA ALA 2 10.920 -0.873 4.738 12 HB1 ALA 2 1HB ALA 2 10.157 0.080 6.889 13 HB2 ALA 2 2HB ALA 2 9.824 -1.665 6.786 14 HB3 ALA 2 3HB ALA 2 11.192 -1.076 7.759 15 H GLY 3 H GLY 3 11.584 1.100 4.231 16 HA2 GLY 3 1HA GLY 3 12.817 3.135 4.647 17 HA3 GLY 3 2HA GLY 3 13.941 2.240 5.652 18 H LEU 4 H LEU 4 12.883 0.897 2.601 19 HA LEU 4 HA LEU 4 15.654 1.222 1.571 20 HB2 LEU 4 1HB LEU 4 14.837 -1.075 1.724 21 HB3 LEU 4 2HB LEU 4 13.408 -0.662 0.771 22 HG LEU 4 HG LEU 4 14.926 -0.164 -1.172 23 HD11 LEU 4 1HD1 LEU 4 17.234 -0.992 -1.059 24 HD12 LEU 4 2HD1 LEU 4 16.949 0.323 0.105 25 HD13 LEU 4 3HD1 LEU 4 17.015 -1.365 0.667 26 HD21 LEU 4 1HD2 LEU 4 15.358 -2.548 -1.659 27 HD22 LEU 4 2HD2 LEU 4 15.113 -2.945 0.059 28 HD23 LEU 4 3HD2 LEU 4 13.756 -2.327 -0.914 29 H THR 5 H THR 5 16.127 2.380 -0.177 30 HA THR 5 HA THR 5 14.286 4.230 -1.278 31 HB THR 5 HB THR 5 16.866 3.160 -2.501 32 HG1 THR 5 HG1 THR 5 17.522 5.329 -1.583 33 HG21 THR 5 1HG2 THR 5 16.865 5.274 -3.766 34 HG22 THR 5 2HG2 THR 5 15.425 4.302 -4.152 35 HG23 THR 5 3HG2 THR 5 15.289 5.700 -3.061 36 H VAL 6 H VAL 6 12.919 4.241 -2.947 37 HA VAL 6 HA VAL 6 11.716 1.892 -3.834 38 HB VAL 6 HB VAL 6 11.924 4.566 -5.284 39 HG11 VAL 6 1HG1 VAL 6 9.895 3.884 -6.469 40 HG12 VAL 6 2HG1 VAL 6 11.268 2.811 -6.827 41 HG13 VAL 6 3HG1 VAL 6 9.991 2.278 -5.707 42 HG21 VAL 6 1HG2 VAL 6 9.715 4.976 -4.248 43 HG22 VAL 6 2HG2 VAL 6 9.814 3.405 -3.418 44 HG23 VAL 6 3HG2 VAL 6 10.964 4.701 -3.011 45 H ARG 7 H ARG 7 12.332 0.277 -5.083 46 HA ARG 7 HA ARG 7 14.854 0.507 -6.556 47 HB2 ARG 7 1HB ARG 7 12.944 -1.824 -6.181 48 HB3 ARG 7 2HB ARG 7 14.495 -1.924 -7.000 49 HG2 ARG 7 1HG ARG 7 15.581 -1.168 -4.851 50 HG3 ARG 7 2HG ARG 7 13.990 -1.357 -4.076 51 HD2 ARG 7 1HD ARG 7 15.479 -3.511 -5.557 52 HD3 ARG 7 2HD ARG 7 15.423 -3.311 -3.791 53 HE ARG 7 HE ARG 7 12.776 -3.401 -4.695 54 HH11 ARG 7 1HH1 ARG 7 15.589 -5.503 -4.603 55 HH12 ARG 7 2HH1 ARG 7 14.643 -6.973 -4.520 56 HH21 ARG 7 1HH2 ARG 7 11.560 -5.315 -4.587 57 HH22 ARG 7 2HH2 ARG 7 12.363 -6.868 -4.511 58 H ASP 8 H ASP 8 11.456 0.613 -7.234 59 HA ASP 8 HA ASP 8 12.105 0.800 -10.136 60 HB2 ASP 8 1HB ASP 8 11.153 -1.462 -9.647 61 HB3 ASP 8 2HB ASP 8 9.717 -0.697 -8.982 62 HA PRO 9 HA PRO 9 10.138 4.669 -9.172 63 HB2 PRO 9 1HB PRO 9 10.479 4.828 -12.196 64 HB3 PRO 9 2HB PRO 9 10.792 6.072 -10.979 65 HG2 PRO 9 1HG PRO 9 12.867 4.739 -11.974 66 HG3 PRO 9 2HG PRO 9 12.805 5.037 -10.235 67 HD2 PRO 9 1HD PRO 9 12.134 2.502 -11.772 68 HD3 PRO 9 2HD PRO 9 13.008 2.687 -10.198 69 H ALA 10 H ALA 10 9.280 2.348 -11.704 70 HA ALA 10 HA ALA 10 6.775 3.471 -12.456 71 HB1 ALA 10 1HB ALA 10 6.267 1.217 -13.339 72 HB2 ALA 10 2HB ALA 10 7.907 1.745 -13.784 73 HB3 ALA 10 3HB ALA 10 7.677 0.568 -12.471 74 H VAL 11 H VAL 11 7.715 1.363 -9.795 75 HA VAL 11 HA VAL 11 5.048 0.716 -8.947 76 HB VAL 11 HB VAL 11 7.687 0.831 -7.429 77 HG11 VAL 11 1HG1 VAL 11 6.578 -0.493 -5.695 78 HG12 VAL 11 2HG1 VAL 11 5.846 1.119 -5.872 79 HG13 VAL 11 3HG1 VAL 11 5.027 -0.310 -6.548 80 HG21 VAL 11 1HG2 VAL 11 7.577 -1.630 -7.661 81 HG22 VAL 11 2HG2 VAL 11 6.059 -1.475 -8.578 82 HG23 VAL 11 3HG2 VAL 11 7.577 -0.833 -9.252 83 H ASP 12 H ASP 12 7.380 3.227 -7.915 84 HA ASP 12 HA ASP 12 5.680 4.524 -6.047 85 HB2 ASP 12 1HB ASP 12 8.116 4.981 -6.290 86 HB3 ASP 12 2HB ASP 12 7.814 5.752 -7.840 87 H ARG 13 H ARG 13 6.038 4.924 -9.561 88 HA ARG 13 HA ARG 13 4.319 7.167 -9.847 89 HB2 ARG 13 1HB ARG 13 5.801 6.319 -11.638 90 HB3 ARG 13 2HB ARG 13 4.805 4.879 -11.787 91 HG2 ARG 13 1HG ARG 13 2.918 6.212 -12.550 92 HG3 ARG 13 2HG ARG 13 3.857 7.706 -12.316 93 HD2 ARG 13 1HD ARG 13 5.473 6.942 -13.962 94 HD3 ARG 13 2HD ARG 13 4.523 5.457 -14.201 95 HE ARG 13 HE ARG 13 2.861 7.729 -14.581 96 HH11 ARG 13 1HH1 ARG 13 5.503 5.987 -16.107 97 HH12 ARG 13 2HH1 ARG 13 5.051 6.469 -17.727 98 HH21 ARG 13 1HH2 ARG 13 2.285 8.348 -16.689 99 HH22 ARG 13 2HH2 ARG 13 3.230 7.806 -18.057 100 H SER 14 H SER 14 3.634 3.664 -9.960 101 HA SER 14 HA SER 14 0.837 4.033 -10.574 102 HB2 SER 14 1HB SER 14 0.648 1.669 -10.294 103 HB3 SER 14 2HB SER 14 2.196 1.973 -11.066 104 HG SER 14 HG SER 14 2.882 2.072 -8.702 105 H LEU 15 H LEU 15 2.715 3.903 -7.625 106 HA LEU 15 HA LEU 15 0.510 3.557 -5.817 107 HB2 LEU 15 1HB LEU 15 2.780 3.219 -5.056 108 HB3 LEU 15 2HB LEU 15 3.229 4.869 -5.496 109 HG LEU 15 HG LEU 15 1.742 5.741 -3.716 110 HD11 LEU 15 1HD1 LEU 15 0.762 4.178 -2.097 111 HD12 LEU 15 2HD1 LEU 15 0.097 3.936 -3.730 112 HD13 LEU 15 3HD1 LEU 15 1.313 2.806 -3.087 113 HD21 LEU 15 1HD2 LEU 15 3.129 4.966 -1.823 114 HD22 LEU 15 2HD2 LEU 15 3.715 3.604 -2.809 115 HD23 LEU 15 3HD2 LEU 15 4.128 5.275 -3.264 116 H ARG 16 H ARG 16 2.212 6.472 -7.005 117 HA ARG 16 HA ARG 16 0.385 8.255 -5.619 118 HB2 ARG 16 1HB ARG 16 2.527 8.692 -7.717 119 HB3 ARG 16 2HB ARG 16 1.540 10.002 -7.086 120 HG2 ARG 16 1HG ARG 16 2.369 9.482 -4.798 121 HG3 ARG 16 2HG ARG 16 3.439 8.250 -5.510 122 HD2 ARG 16 1HD ARG 16 3.445 11.118 -6.390 123 HD3 ARG 16 2HD ARG 16 4.447 10.507 -5.053 124 HE ARG 16 HE ARG 16 5.634 9.130 -6.604 125 HH11 ARG 16 1HH1 ARG 16 3.373 11.371 -8.091 126 HH12 ARG 16 2HH1 ARG 16 4.139 11.296 -9.662 127 HH21 ARG 16 1HH2 ARG 16 6.619 9.042 -8.648 128 HH22 ARG 16 2HH2 ARG 16 5.976 9.978 -9.978 129 H SER 17 H SER 17 0.469 6.679 -8.717 130 HA SER 17 HA SER 17 -1.528 8.368 -9.967 131 HB2 SER 17 1HB SER 17 -0.044 6.985 -11.315 132 HB3 SER 17 2HB SER 17 -0.626 5.526 -10.528 133 HG SER 17 HG SER 17 -1.618 5.888 -12.503 134 H VAL 18 H VAL 18 -3.684 8.283 -9.918 135 HA VAL 18 HA VAL 18 -4.909 6.109 -8.270 136 HB VAL 18 HB VAL 18 -5.758 9.031 -8.471 137 HG11 VAL 18 1HG1 VAL 18 -7.410 8.461 -6.759 138 HG12 VAL 18 2HG1 VAL 18 -7.675 7.556 -8.268 139 HG13 VAL 18 3HG1 VAL 18 -6.930 6.751 -6.866 140 HG21 VAL 18 1HG2 VAL 18 -5.113 9.111 -6.083 141 HG22 VAL 18 2HG2 VAL 18 -4.560 7.422 -6.178 142 HG23 VAL 18 3HG2 VAL 18 -3.724 8.686 -7.111 143 H PHE 19 H PHE 19 -6.369 4.905 -9.260 144 HA PHE 19 HA PHE 19 -7.193 5.600 -11.982 145 HB2 PHE 19 1HB PHE 19 -6.593 3.278 -11.425 146 HB3 PHE 19 2HB PHE 19 -7.865 3.214 -10.215 147 HD1 PHE 19 HD1 PHE 19 -7.449 4.000 -13.853 148 HD2 PHE 19 HD2 PHE 19 -9.860 2.237 -10.798 149 HE1 PHE 19 HE1 PHE 19 -9.041 3.206 -15.570 150 HE2 PHE 19 HE2 PHE 19 -11.453 1.439 -12.513 151 HZ PHE 19 HZ PHE 19 -11.043 1.925 -14.900 152 H VAL 20 H VAL 20 -8.999 6.562 -12.580 153 HA VAL 20 HA VAL 20 -11.276 6.583 -10.642 154 HB VAL 20 HB VAL 20 -10.460 8.821 -12.545 155 HG11 VAL 20 1HG1 VAL 20 -12.203 10.116 -11.417 156 HG12 VAL 20 2HG1 VAL 20 -12.865 8.686 -12.244 157 HG13 VAL 20 3HG1 VAL 20 -12.661 8.677 -10.476 158 HG21 VAL 20 1HG2 VAL 20 -9.908 10.057 -10.474 159 HG22 VAL 20 2HG2 VAL 20 -10.294 8.611 -9.510 160 HG23 VAL 20 3HG2 VAL 20 -8.912 8.591 -10.633 161 H GLY 21 H GLY 21 -13.213 5.993 -11.394 162 HA2 GLY 21 1HA GLY 21 -13.529 5.680 -14.356 163 HA3 GLY 21 2HA GLY 21 -13.930 4.366 -13.266 164 H ASN 22 H ASN 22 -16.005 4.840 -14.616 165 HA ASN 22 HA ASN 22 -18.159 5.642 -14.735 166 HB2 ASN 22 1HB ASN 22 -17.635 6.257 -11.808 167 HB3 ASN 22 2HB ASN 22 -19.213 6.353 -12.578 168 HD21 ASN 22 1HD2 ASN 22 -18.713 3.044 -10.894 169 HD22 ASN 22 2HD2 ASN 22 -18.519 4.689 -10.387 170 H ILE 23 H ILE 23 -16.109 7.358 -15.613 171 HA ILE 23 HA ILE 23 -16.825 10.044 -14.633 172 HB ILE 23 HB ILE 23 -14.821 9.113 -16.732 173 HG12 ILE 23 1HG1 ILE 23 -14.353 10.264 -13.974 174 HG13 ILE 23 2HG1 ILE 23 -14.350 8.546 -14.336 175 HG21 ILE 23 1HG2 ILE 23 -14.005 11.436 -16.697 176 HG22 ILE 23 2HG2 ILE 23 -15.690 11.359 -17.263 177 HG23 ILE 23 3HG2 ILE 23 -15.333 11.890 -15.603 178 HD11 ILE 23 1HD1 ILE 23 -12.087 9.432 -14.268 179 HD12 ILE 23 2HD1 ILE 23 -12.489 8.867 -15.908 180 HD13 ILE 23 3HD1 ILE 23 -12.491 10.609 -15.539 181 HA PRO 24 HA PRO 24 -20.028 10.488 -17.654 182 HB2 PRO 24 1HB PRO 24 -19.554 13.385 -16.878 183 HB3 PRO 24 2HB PRO 24 -21.081 12.503 -17.007 184 HG2 PRO 24 1HG PRO 24 -20.085 12.950 -14.580 185 HG3 PRO 24 2HG PRO 24 -20.760 11.359 -14.944 186 HD2 PRO 24 1HD PRO 24 -17.843 12.239 -14.898 187 HD3 PRO 24 2HD PRO 24 -18.588 10.734 -14.226 188 H TYR 25 H TYR 25 -19.906 10.866 -19.813 189 HA TYR 25 HA TYR 25 -17.417 11.583 -21.026 190 HB2 TYR 25 1HB TYR 25 -18.554 11.352 -23.123 191 HB3 TYR 25 2HB TYR 25 -19.219 10.130 -22.049 192 HD1 TYR 25 HD1 TYR 25 -19.877 13.237 -23.869 193 HD2 TYR 25 HD2 TYR 25 -21.493 10.310 -21.180 194 HE1 TYR 25 HE1 TYR 25 -22.156 14.084 -24.316 195 HE2 TYR 25 HE2 TYR 25 -23.772 11.158 -21.627 196 HH TYR 25 HH TYR 25 -24.313 13.931 -23.781 197 H GLU 26 H GLU 26 -20.079 13.470 -19.887 198 HA GLU 26 HA GLU 26 -19.486 15.815 -21.499 199 HB2 GLU 26 1HB GLU 26 -21.108 15.436 -18.952 200 HB3 GLU 26 2HB GLU 26 -20.975 16.968 -19.805 201 HG2 GLU 26 1HG GLU 26 -21.987 15.948 -21.802 202 HG3 GLU 26 2HG GLU 26 -22.116 14.410 -20.951 203 H ALA 27 H ALA 27 -18.249 14.427 -18.572 204 HA ALA 27 HA ALA 27 -17.201 16.918 -17.505 205 HB1 ALA 27 1HB ALA 27 -16.037 15.453 -15.887 206 HB2 ALA 27 2HB ALA 27 -17.764 15.046 -16.021 207 HB3 ALA 27 3HB ALA 27 -16.545 14.029 -16.823 208 H THR 28 H THR 28 -15.405 17.942 -17.989 209 HA THR 28 HA THR 28 -13.551 16.701 -19.919 210 HB THR 28 HB THR 28 -12.550 18.922 -20.113 211 HG1 THR 28 HG1 THR 28 -14.241 20.320 -18.534 212 HG21 THR 28 1HG2 THR 28 -14.516 20.204 -20.864 213 HG22 THR 28 2HG2 THR 28 -14.638 18.501 -21.366 214 HG23 THR 28 3HG2 THR 28 -15.585 19.090 -19.981 215 H GLU 29 H GLU 29 -11.182 17.068 -19.605 216 HA GLU 29 HA GLU 29 -10.328 15.721 -17.242 217 HB2 GLU 29 1HB GLU 29 -8.811 17.309 -19.344 218 HB3 GLU 29 2HB GLU 29 -8.008 16.470 -18.025 219 HG2 GLU 29 1HG GLU 29 -8.912 14.334 -18.799 220 HG3 GLU 29 2HG GLU 29 -9.786 15.155 -20.090 221 H GLU 30 H GLU 30 -10.444 19.151 -18.116 222 HA GLU 30 HA GLU 30 -8.833 20.035 -15.896 223 HB2 GLU 30 1HB GLU 30 -10.825 21.512 -17.662 224 HB3 GLU 30 2HB GLU 30 -9.799 22.297 -16.469 225 HG2 GLU 30 1HG GLU 30 -8.865 20.758 -18.902 226 HG3 GLU 30 2HG GLU 30 -8.879 22.510 -18.706 227 H GLN 31 H GLN 31 -12.321 19.650 -16.419 228 HA GLN 31 HA GLN 31 -13.147 20.742 -13.908 229 HB2 GLN 31 1HB GLN 31 -14.400 18.671 -15.747 230 HB3 GLN 31 2HB GLN 31 -15.186 19.243 -14.282 231 HG2 GLN 31 1HG GLN 31 -15.254 21.505 -15.133 232 HG3 GLN 31 2HG GLN 31 -14.327 21.015 -16.579 233 HE21 GLN 31 1HE2 GLN 31 -18.217 21.038 -16.872 234 HE22 GLN 31 2HE2 GLN 31 -17.211 22.051 -15.890 235 H LEU 32 H LEU 32 -12.145 17.482 -14.896 236 HA LEU 32 HA LEU 32 -12.668 16.256 -12.350 237 HB2 LEU 32 1HB LEU 32 -10.787 15.516 -14.616 238 HB3 LEU 32 2HB LEU 32 -11.062 14.499 -13.198 239 HG LEU 32 HG LEU 32 -13.262 15.332 -15.118 240 HD11 LEU 32 1HD1 LEU 32 -13.039 13.074 -16.054 241 HD12 LEU 32 2HD1 LEU 32 -11.560 14.034 -16.293 242 HD13 LEU 32 3HD1 LEU 32 -11.618 12.787 -15.024 243 HD21 LEU 32 1HD2 LEU 32 -14.463 13.469 -14.025 244 HD22 LEU 32 2HD2 LEU 32 -13.061 13.186 -12.965 245 HD23 LEU 32 3HD2 LEU 32 -13.982 14.704 -12.837 246 H LYS 33 H LYS 33 -9.838 17.860 -13.766 247 HA LYS 33 HA LYS 33 -7.983 17.286 -11.700 248 HB2 LYS 33 1HB LYS 33 -8.265 19.649 -13.586 249 HB3 LYS 33 2HB LYS 33 -6.938 19.519 -12.439 250 HG2 LYS 33 1HG LYS 33 -6.193 17.437 -13.485 251 HG3 LYS 33 2HG LYS 33 -7.567 17.483 -14.597 252 HD2 LYS 33 1HD LYS 33 -6.738 19.693 -15.452 253 HD3 LYS 33 2HD LYS 33 -5.313 19.514 -14.417 254 HE2 LYS 33 1HE LYS 33 -4.696 17.443 -15.588 255 HE3 LYS 33 2HE LYS 33 -6.146 17.555 -16.589 256 HZ1 LYS 33 1HZ LYS 33 -4.223 18.393 -17.724 257 HZ2 LYS 33 2HZ LYS 33 -5.301 19.617 -17.479 258 HZ3 LYS 33 3HZ LYS 33 -3.946 19.511 -16.545 259 H ASP 34 H ASP 34 -10.384 19.895 -12.001 260 HA ASP 34 HA ASP 34 -9.724 21.286 -9.623 261 HB2 ASP 34 1HB ASP 34 -12.367 20.902 -11.072 262 HB3 ASP 34 2HB ASP 34 -12.203 21.939 -9.662 263 H ILE 35 H ILE 35 -11.958 18.551 -10.154 264 HA ILE 35 HA ILE 35 -12.791 18.242 -7.463 265 HB ILE 35 HB ILE 35 -12.454 16.227 -9.715 266 HG12 ILE 35 1HG1 ILE 35 -14.962 17.390 -8.491 267 HG13 ILE 35 2HG1 ILE 35 -14.160 18.075 -9.896 268 HG21 ILE 35 1HG2 ILE 35 -13.788 14.680 -8.341 269 HG22 ILE 35 2HG2 ILE 35 -12.239 15.062 -7.553 270 HG23 ILE 35 3HG2 ILE 35 -13.738 15.834 -6.987 271 HD11 ILE 35 1HD1 ILE 35 -16.017 16.650 -10.553 272 HD12 ILE 35 2HD1 ILE 35 -14.472 15.967 -11.118 273 HD13 ILE 35 3HD1 ILE 35 -15.286 15.273 -9.696 274 H PHE 36 H PHE 36 -9.922 17.034 -9.169 275 HA PHE 36 HA PHE 36 -9.089 15.327 -6.986 276 HB2 PHE 36 1HB PHE 36 -7.491 16.416 -9.338 277 HB3 PHE 36 2HB PHE 36 -6.981 15.118 -8.271 278 HD1 PHE 36 HD1 PHE 36 -7.489 15.213 -11.371 279 HD2 PHE 36 HD2 PHE 36 -9.728 13.770 -8.032 280 HE1 PHE 36 HE1 PHE 36 -8.613 13.571 -12.838 281 HE2 PHE 36 HE2 PHE 36 -10.853 12.124 -9.494 282 HZ PHE 36 HZ PHE 36 -10.295 12.026 -11.899 283 H SER 37 H SER 37 -8.546 18.673 -7.882 284 HA SER 37 HA SER 37 -6.158 19.059 -6.333 285 HB2 SER 37 1HB SER 37 -6.462 21.383 -6.760 286 HB3 SER 37 2HB SER 37 -6.996 20.533 -8.202 287 HG SER 37 HG SER 37 -9.127 20.643 -7.262 288 H GLU 38 H GLU 38 -9.506 18.846 -5.507 289 HA GLU 38 HA GLU 38 -9.417 20.302 -3.034 290 HB2 GLU 38 1HB GLU 38 -11.200 18.034 -4.000 291 HB3 GLU 38 2HB GLU 38 -11.437 18.862 -2.468 292 HG2 GLU 38 1HG GLU 38 -11.680 21.008 -3.720 293 HG3 GLU 38 2HG GLU 38 -11.569 20.098 -5.225 294 H VAL 39 H VAL 39 -8.396 17.098 -3.985 295 HA VAL 39 HA VAL 39 -8.170 16.125 -1.241 296 HB VAL 39 HB VAL 39 -7.119 15.033 -3.885 297 HG11 VAL 39 1HG1 VAL 39 -6.710 12.948 -2.672 298 HG12 VAL 39 2HG1 VAL 39 -5.713 14.286 -2.053 299 HG13 VAL 39 3HG1 VAL 39 -7.148 13.751 -1.146 300 HG21 VAL 39 1HG2 VAL 39 -8.961 13.404 -3.611 301 HG22 VAL 39 2HG2 VAL 39 -9.466 14.229 -2.116 302 HG23 VAL 39 3HG2 VAL 39 -9.581 15.071 -3.680 303 H GLY 40 H GLY 40 -5.899 17.145 -3.811 304 HA2 GLY 40 1HA GLY 40 -4.078 18.437 -2.062 305 HA3 GLY 40 2HA GLY 40 -3.521 16.785 -2.251 306 HA PRO 41 HA PRO 41 -1.938 19.596 -5.657 307 HB2 PRO 41 1HB PRO 41 0.555 18.046 -4.875 308 HB3 PRO 41 2HB PRO 41 0.401 19.746 -5.337 309 HG2 PRO 41 1HG PRO 41 0.684 19.159 -2.756 310 HG3 PRO 41 2HG PRO 41 -0.495 20.386 -3.228 311 HD2 PRO 41 1HD PRO 41 -0.954 17.462 -2.510 312 HD3 PRO 41 2HD PRO 41 -1.904 18.920 -2.012 313 H VAL 42 H VAL 42 -2.041 18.894 -7.721 314 HA VAL 42 HA VAL 42 -1.715 15.962 -8.206 315 HB VAL 42 HB VAL 42 -3.441 17.986 -9.697 316 HG11 VAL 42 1HG1 VAL 42 -4.291 16.053 -10.934 317 HG12 VAL 42 2HG1 VAL 42 -2.549 16.300 -11.199 318 HG13 VAL 42 3HG1 VAL 42 -3.110 15.008 -10.110 319 HG21 VAL 42 1HG2 VAL 42 -5.321 16.675 -8.764 320 HG22 VAL 42 2HG2 VAL 42 -4.166 15.656 -7.873 321 HG23 VAL 42 3HG2 VAL 42 -4.325 17.382 -7.470 322 H VAL 43 H VAL 43 -0.171 15.324 -9.544 323 HA VAL 43 HA VAL 43 1.555 17.314 -10.789 324 HB VAL 43 HB VAL 43 1.566 14.267 -10.871 325 HG11 VAL 43 1HG1 VAL 43 3.832 14.461 -11.773 326 HG12 VAL 43 2HG1 VAL 43 2.616 15.157 -12.870 327 HG13 VAL 43 3HG1 VAL 43 3.637 16.227 -11.879 328 HG21 VAL 43 1HG2 VAL 43 3.475 14.524 -9.318 329 HG22 VAL 43 2HG2 VAL 43 3.261 16.291 -9.350 330 HG23 VAL 43 3HG2 VAL 43 1.998 15.253 -8.647 331 H SER 44 H SER 44 -0.573 14.686 -11.963 332 HA SER 44 HA SER 44 -1.062 16.156 -14.446 333 HB2 SER 44 1HB SER 44 -0.135 14.560 -15.955 334 HB3 SER 44 2HB SER 44 1.135 14.975 -14.814 335 HG SER 44 HG SER 44 1.133 13.053 -14.092 336 H PHE 45 H PHE 45 -2.623 15.060 -15.848 337 HA PHE 45 HA PHE 45 -3.897 12.641 -14.750 338 HB2 PHE 45 1HB PHE 45 -5.196 14.336 -13.616 339 HB3 PHE 45 2HB PHE 45 -5.369 15.279 -15.087 340 HD1 PHE 45 HD1 PHE 45 -6.142 11.874 -13.748 341 HD2 PHE 45 HD2 PHE 45 -7.306 15.079 -16.321 342 HE1 PHE 45 HE1 PHE 45 -8.261 10.702 -14.248 343 HE2 PHE 45 HE2 PHE 45 -9.426 13.911 -16.822 344 HZ PHE 45 HZ PHE 45 -9.902 11.720 -15.785 345 H ARG 46 H ARG 46 -4.763 11.349 -16.275 346 HA ARG 46 HA ARG 46 -5.108 12.491 -19.009 347 HB2 ARG 46 1HB ARG 46 -3.732 9.880 -18.292 348 HB3 ARG 46 2HB ARG 46 -4.215 10.328 -19.921 349 HG2 ARG 46 1HG ARG 46 -2.297 11.956 -18.240 350 HG3 ARG 46 2HG ARG 46 -1.804 10.698 -19.399 351 HD2 ARG 46 1HD ARG 46 -2.943 11.925 -21.179 352 HD3 ARG 46 2HD ARG 46 -3.361 13.199 -20.010 353 HE ARG 46 HE ARG 46 -0.739 12.643 -21.182 354 HH11 ARG 46 1HH1 ARG 46 -2.585 14.360 -18.736 355 HH12 ARG 46 2HH1 ARG 46 -1.352 15.573 -18.477 356 HH21 ARG 46 1HH2 ARG 46 0.855 14.223 -20.836 357 HH22 ARG 46 2HH2 ARG 46 0.596 15.497 -19.665 358 H LEU 47 H LEU 47 -7.167 12.305 -19.540 359 HA LEU 47 HA LEU 47 -8.751 10.013 -18.566 360 HB2 LEU 47 1HB LEU 47 -9.760 12.260 -18.589 361 HB3 LEU 47 2HB LEU 47 -9.496 12.373 -20.332 362 HG LEU 47 HG LEU 47 -11.053 10.410 -20.621 363 HD11 LEU 47 1HD1 LEU 47 -12.502 9.827 -18.727 364 HD12 LEU 47 2HD1 LEU 47 -10.795 9.456 -18.387 365 HD13 LEU 47 3HD1 LEU 47 -11.554 10.899 -17.671 366 HD21 LEU 47 1HD2 LEU 47 -13.081 11.763 -20.216 367 HD22 LEU 47 2HD2 LEU 47 -12.141 12.863 -19.180 368 HD23 LEU 47 3HD2 LEU 47 -11.780 12.754 -20.919 369 H VAL 48 H VAL 48 -9.208 8.243 -19.687 370 HA VAL 48 HA VAL 48 -7.777 7.802 -22.176 371 HB VAL 48 HB VAL 48 -9.773 6.050 -20.678 372 HG11 VAL 48 1HG1 VAL 48 -8.854 4.205 -21.995 373 HG12 VAL 48 2HG1 VAL 48 -9.645 5.426 -23.020 374 HG13 VAL 48 3HG1 VAL 48 -7.868 5.360 -22.923 375 HG21 VAL 48 1HG2 VAL 48 -7.741 4.883 -19.884 376 HG22 VAL 48 2HG2 VAL 48 -6.727 6.065 -20.746 377 HG23 VAL 48 3HG2 VAL 48 -7.741 6.589 -19.380 378 H TYR 49 H TYR 49 -8.461 8.154 -24.164 379 HA TYR 49 HA TYR 49 -11.400 8.464 -24.600 380 HB2 TYR 49 1HB TYR 49 -9.030 9.600 -26.137 381 HB3 TYR 49 2HB TYR 49 -10.700 9.726 -26.674 382 HD1 TYR 49 HD1 TYR 49 -8.174 10.955 -24.354 383 HD2 TYR 49 HD2 TYR 49 -12.327 11.093 -25.420 384 HE1 TYR 49 HE1 TYR 49 -8.451 13.009 -23.008 385 HE2 TYR 49 HE2 TYR 49 -12.604 13.147 -24.074 386 HH TYR 49 HH TYR 49 -9.857 14.593 -22.336 387 H ASP 50 H ASP 50 -12.363 7.609 -26.470 388 HA ASP 50 HA ASP 50 -11.443 4.974 -27.145 389 HB2 ASP 50 1HB ASP 50 -13.849 5.761 -27.162 390 HB3 ASP 50 2HB ASP 50 -13.494 6.666 -28.627 391 H ARG 51 H ARG 51 -10.306 4.190 -28.810 392 HA ARG 51 HA ARG 51 -8.527 6.000 -30.141 393 HB2 ARG 51 1HB ARG 51 -9.108 3.051 -30.545 394 HB3 ARG 51 2HB ARG 51 -7.866 3.916 -31.439 395 HG2 ARG 51 1HG ARG 51 -6.684 4.425 -29.361 396 HG3 ARG 51 2HG ARG 51 -7.959 3.604 -28.428 397 HD2 ARG 51 1HD ARG 51 -7.460 1.525 -29.577 398 HD3 ARG 51 2HD ARG 51 -6.187 2.346 -30.509 399 HE ARG 51 HE ARG 51 -5.618 2.812 -27.823 400 HH11 ARG 51 1HH1 ARG 51 -5.923 0.040 -29.958 401 HH12 ARG 51 2HH1 ARG 51 -4.768 -0.929 -29.070 402 HH21 ARG 51 1HH2 ARG 51 -4.122 1.545 -26.678 403 HH22 ARG 51 2HH2 ARG 51 -3.748 -0.079 -27.213 404 H GLU 52 H GLU 52 -11.567 4.494 -31.042 405 HA GLU 52 HA GLU 52 -11.198 5.125 -33.889 406 HB2 GLU 52 1HB GLU 52 -12.346 3.037 -33.197 407 HB3 GLU 52 2HB GLU 52 -13.590 3.981 -32.390 408 HG2 GLU 52 1HG GLU 52 -14.321 4.916 -34.507 409 HG3 GLU 52 2HG GLU 52 -13.006 4.106 -35.355 410 H THR 53 H THR 53 -13.397 6.119 -31.243 411 HA THR 53 HA THR 53 -14.560 8.136 -33.082 412 HB THR 53 HB THR 53 -16.356 8.344 -31.386 413 HG1 THR 53 HG1 THR 53 -14.994 6.258 -29.993 414 HG21 THR 53 1HG2 THR 53 -17.296 6.079 -31.621 415 HG22 THR 53 2HG2 THR 53 -16.548 6.618 -33.143 416 HG23 THR 53 3HG2 THR 53 -15.698 5.460 -32.094 417 H GLY 54 H GLY 54 -12.592 7.834 -30.222 418 HA2 GLY 54 1HA GLY 54 -11.233 9.505 -29.275 419 HA3 GLY 54 2HA GLY 54 -11.997 10.706 -30.299 420 H LYS 55 H LYS 55 -14.195 8.634 -28.668 421 HA LYS 55 HA LYS 55 -15.039 10.881 -26.949 422 HB2 LYS 55 1HB LYS 55 -16.299 8.170 -27.521 423 HB3 LYS 55 2HB LYS 55 -16.999 9.380 -26.455 424 HG2 LYS 55 1HG LYS 55 -17.146 10.960 -28.360 425 HG3 LYS 55 2HG LYS 55 -16.482 9.712 -29.424 426 HD2 LYS 55 1HD LYS 55 -18.392 8.233 -28.886 427 HD3 LYS 55 2HD LYS 55 -19.055 9.479 -27.818 428 HE2 LYS 55 1HE LYS 55 -19.228 11.029 -29.747 429 HE3 LYS 55 2HE LYS 55 -18.589 9.771 -30.809 430 HZ1 LYS 55 1HZ LYS 55 -20.971 9.866 -30.887 431 HZ2 LYS 55 2HZ LYS 55 -20.493 8.418 -30.256 432 HZ3 LYS 55 3HZ LYS 55 -21.090 9.594 -29.265 433 HA PRO 56 HA PRO 56 -13.255 9.595 -23.217 434 HB2 PRO 56 1HB PRO 56 -16.037 10.059 -22.069 435 HB3 PRO 56 2HB PRO 56 -14.477 10.634 -21.466 436 HG2 PRO 56 1HG PRO 56 -16.014 12.347 -22.796 437 HG3 PRO 56 2HG PRO 56 -14.284 12.310 -23.149 438 HD2 PRO 56 1HD PRO 56 -16.586 11.063 -24.701 439 HD3 PRO 56 2HD PRO 56 -15.133 11.942 -25.325 440 H LYS 57 H LYS 57 -12.912 7.605 -22.396 441 HA LYS 57 HA LYS 57 -14.887 5.481 -22.862 442 HB2 LYS 57 1HB LYS 57 -12.136 5.400 -21.558 443 HB3 LYS 57 2HB LYS 57 -13.124 3.994 -21.930 444 HG2 LYS 57 1HG LYS 57 -11.960 5.938 -23.945 445 HG3 LYS 57 2HG LYS 57 -11.381 4.302 -23.599 446 HD2 LYS 57 1HD LYS 57 -14.240 4.783 -24.460 447 HD3 LYS 57 2HD LYS 57 -12.936 4.673 -25.653 448 HE2 LYS 57 1HE LYS 57 -12.301 2.450 -24.663 449 HE3 LYS 57 2HE LYS 57 -13.721 2.555 -23.619 450 HZ1 LYS 57 1HZ LYS 57 -14.165 1.279 -25.585 451 HZ2 LYS 57 2HZ LYS 57 -15.090 2.645 -25.588 452 HZ3 LYS 57 3HZ LYS 57 -13.763 2.545 -26.563 453 H GLY 58 H GLY 58 -13.969 7.609 -20.310 454 HA2 GLY 58 1HA GLY 58 -15.549 8.019 -18.547 455 HA3 GLY 58 2HA GLY 58 -16.123 6.368 -18.680 456 H TYR 59 H TYR 59 -12.706 6.696 -18.808 457 HA TYR 59 HA TYR 59 -12.301 6.707 -15.908 458 HB2 TYR 59 1HB TYR 59 -11.155 4.530 -15.829 459 HB3 TYR 59 2HB TYR 59 -12.843 4.338 -16.278 460 HD1 TYR 59 HD1 TYR 59 -9.364 4.176 -17.461 461 HD2 TYR 59 HD2 TYR 59 -13.490 3.580 -18.477 462 HE1 TYR 59 HE1 TYR 59 -8.686 2.912 -19.474 463 HE2 TYR 59 HE2 TYR 59 -12.812 2.317 -20.490 464 HH TYR 59 HH TYR 59 -9.379 1.783 -21.257 465 H GLY 60 H GLY 60 -10.056 6.775 -15.293 466 HA2 GLY 60 1HA GLY 60 -7.968 6.970 -17.286 467 HA3 GLY 60 2HA GLY 60 -8.506 8.565 -16.795 468 H PHE 61 H PHE 61 -6.157 8.578 -16.091 469 HA PHE 61 HA PHE 61 -5.951 7.503 -13.311 470 HB2 PHE 61 1HB PHE 61 -3.792 7.534 -15.457 471 HB3 PHE 61 2HB PHE 61 -3.491 7.186 -13.762 472 HD1 PHE 61 HD1 PHE 61 -5.016 5.961 -16.866 473 HD2 PHE 61 HD2 PHE 61 -4.176 5.093 -12.768 474 HE1 PHE 61 HE1 PHE 61 -5.546 3.579 -17.264 475 HE2 PHE 61 HE2 PHE 61 -4.702 2.709 -13.163 476 HZ PHE 61 HZ PHE 61 -5.388 1.953 -15.412 477 H CYS 62 H CYS 62 -5.294 8.882 -11.794 478 HA CYS 62 HA CYS 62 -4.355 11.564 -12.724 479 HB2 CYS 62 1HB CYS 62 -6.571 11.639 -11.639 480 HB3 CYS 62 2HB CYS 62 -5.921 10.835 -10.218 481 HG CYS 62 HG CYS 62 -4.933 13.702 -11.475 482 H GLU 63 H GLU 63 -2.336 12.050 -12.258 483 HA GLU 63 HA GLU 63 -0.906 10.433 -10.235 484 HB2 GLU 63 1HB GLU 63 0.111 10.759 -12.479 485 HB3 GLU 63 2HB GLU 63 0.125 12.498 -12.222 486 HG2 GLU 63 1HG GLU 63 1.630 12.154 -10.264 487 HG3 GLU 63 2HG GLU 63 1.677 10.435 -10.647 488 H TYR 64 H TYR 64 -0.812 11.087 -8.219 489 HA TYR 64 HA TYR 64 -1.067 13.980 -7.622 490 HB2 TYR 64 1HB TYR 64 -1.240 11.470 -5.924 491 HB3 TYR 64 2HB TYR 64 -1.123 13.070 -5.205 492 HD1 TYR 64 HD1 TYR 64 -3.196 10.903 -7.384 493 HD2 TYR 64 HD2 TYR 64 -2.991 14.525 -5.094 494 HE1 TYR 64 HE1 TYR 64 -5.643 11.180 -7.602 495 HE2 TYR 64 HE2 TYR 64 -5.437 14.802 -5.311 496 HH TYR 64 HH TYR 64 -7.397 12.466 -7.143 497 H GLN 65 H GLN 65 0.353 15.044 -6.162 498 HA GLN 65 HA GLN 65 3.121 14.540 -6.756 499 HB2 GLN 65 1HB GLN 65 2.204 16.805 -6.287 500 HB3 GLN 65 2HB GLN 65 1.887 16.332 -4.625 501 HG2 GLN 65 1HG GLN 65 3.898 17.628 -4.709 502 HG3 GLN 65 2HG GLN 65 4.320 15.939 -4.307 503 HE21 GLN 65 1HE2 GLN 65 6.687 15.781 -6.821 504 HE22 GLN 65 2HE2 GLN 65 6.165 15.357 -5.224 505 H ASP 66 H ASP 66 1.115 14.022 -3.859 506 HA ASP 66 HA ASP 66 3.360 12.391 -2.747 507 HB2 ASP 66 1HB ASP 66 1.129 13.878 -1.303 508 HB3 ASP 66 2HB ASP 66 2.267 12.792 -0.517 509 H GLN 67 H GLN 67 2.970 10.366 -1.949 510 HA GLN 67 HA GLN 67 0.730 8.942 -3.077 511 HB2 GLN 67 1HB GLN 67 1.652 6.992 -2.003 512 HB3 GLN 67 2HB GLN 67 2.993 7.940 -2.630 513 HG2 GLN 67 1HG GLN 67 2.124 8.306 0.217 514 HG3 GLN 67 2HG GLN 67 3.127 6.906 -0.256 515 HE21 GLN 67 1HE2 GLN 67 5.887 8.934 0.456 516 HE22 GLN 67 2HE2 GLN 67 4.926 7.568 0.916 517 H GLU 68 H GLU 68 1.230 10.668 -0.128 518 HA GLU 68 HA GLU 68 -0.845 9.388 1.410 519 HB2 GLU 68 1HB GLU 68 0.400 12.160 1.566 520 HB3 GLU 68 2HB GLU 68 -0.787 11.567 2.719 521 HG2 GLU 68 1HG GLU 68 0.723 9.741 3.357 522 HG3 GLU 68 2HG GLU 68 1.910 10.303 2.182 523 H THR 69 H THR 69 -0.774 12.081 -0.891 524 HA THR 69 HA THR 69 -3.603 12.690 -0.489 525 HB THR 69 HB THR 69 -3.308 14.218 -2.428 526 HG1 THR 69 HG1 THR 69 -1.062 12.648 -2.763 527 HG21 THR 69 1HG2 THR 69 -1.627 15.700 -1.404 528 HG22 THR 69 2HG2 THR 69 -2.683 14.983 -0.164 529 HG23 THR 69 3HG2 THR 69 -1.038 14.351 -0.406 530 H ALA 70 H ALA 70 -1.675 10.685 -2.629 531 HA ALA 70 HA ALA 70 -3.757 10.050 -4.485 532 HB1 ALA 70 1HB ALA 70 -2.401 8.041 -4.981 533 HB2 ALA 70 2HB ALA 70 -1.401 9.512 -4.916 534 HB3 ALA 70 3HB ALA 70 -1.399 8.374 -3.549 535 H LEU 71 H LEU 71 -2.723 8.501 -1.441 536 HA LEU 71 HA LEU 71 -4.776 6.483 -1.516 537 HB2 LEU 71 1HB LEU 71 -3.108 7.621 0.751 538 HB3 LEU 71 2HB LEU 71 -4.226 6.268 0.946 539 HG LEU 71 HG LEU 71 -1.826 6.265 -0.917 540 HD11 LEU 71 1HD1 LEU 71 -0.802 4.802 0.768 541 HD12 LEU 71 2HD1 LEU 71 -1.148 6.420 1.423 542 HD13 LEU 71 3HD1 LEU 71 -2.205 5.048 1.834 543 HD21 LEU 71 1HD2 LEU 71 -2.288 3.838 -1.011 544 HD22 LEU 71 2HD2 LEU 71 -3.713 4.069 0.031 545 HD23 LEU 71 3HD2 LEU 71 -3.680 4.778 -1.601 546 H SER 72 H SER 72 -4.557 9.738 -0.137 547 HA SER 72 HA SER 72 -7.014 9.703 1.302 548 HB2 SER 72 1HB SER 72 -5.551 11.972 -0.085 549 HB3 SER 72 2HB SER 72 -6.928 12.196 0.982 550 HG SER 72 HG SER 72 -4.361 11.270 1.536 551 H ALA 73 H ALA 73 -6.271 10.536 -2.084 552 HA ALA 73 HA ALA 73 -8.905 11.227 -2.868 553 HB1 ALA 73 1HB ALA 73 -8.159 10.657 -5.157 554 HB2 ALA 73 2HB ALA 73 -6.943 11.623 -4.289 555 HB3 ALA 73 3HB ALA 73 -6.715 9.869 -4.482 556 H MET 74 H MET 74 -7.265 8.060 -2.826 557 HA MET 74 HA MET 74 -9.402 6.516 -3.844 558 HB2 MET 74 1HB MET 74 -7.165 5.589 -3.518 559 HB3 MET 74 2HB MET 74 -7.279 5.816 -1.779 560 HG2 MET 74 1HG MET 74 -9.163 4.181 -1.726 561 HG3 MET 74 2HG MET 74 -8.933 3.908 -3.455 562 HE1 MET 74 1HE MET 74 -5.916 2.763 -0.144 563 HE2 MET 74 2HE MET 74 -6.318 4.459 -0.514 564 HE3 MET 74 3HE MET 74 -7.564 3.372 0.147 565 H ARG 75 H ARG 75 -8.798 7.724 -0.569 566 HA ARG 75 HA ARG 75 -10.957 6.086 0.541 567 HB2 ARG 75 1HB ARG 75 -9.185 8.232 1.753 568 HB3 ARG 75 2HB ARG 75 -10.405 7.345 2.654 569 HG2 ARG 75 1HG ARG 75 -9.225 5.244 2.232 570 HG3 ARG 75 2HG ARG 75 -8.003 6.118 1.276 571 HD2 ARG 75 1HD ARG 75 -8.636 6.636 4.172 572 HD3 ARG 75 2HD ARG 75 -7.290 5.640 3.571 573 HE ARG 75 HE ARG 75 -7.040 8.088 2.293 574 HH11 ARG 75 1HH1 ARG 75 -7.086 6.933 5.610 575 HH12 ARG 75 2HH1 ARG 75 -6.037 8.203 6.199 576 HH21 ARG 75 1HH2 ARG 75 -5.679 9.732 3.069 577 HH22 ARG 75 2HH2 ARG 75 -5.239 9.787 4.762 578 H ASN 76 H ASN 76 -10.531 9.323 -0.689 579 HA ASN 76 HA ASN 76 -12.950 10.267 0.752 580 HB2 ASN 76 1HB ASN 76 -10.757 11.707 -0.765 581 HB3 ASN 76 2HB ASN 76 -12.216 12.513 -0.204 582 HD21 ASN 76 1HD2 ASN 76 -9.483 12.889 2.300 583 HD22 ASN 76 2HD2 ASN 76 -9.637 13.216 0.606 584 H LEU 77 H LEU 77 -11.629 10.068 -2.561 585 HA LEU 77 HA LEU 77 -14.024 11.362 -3.625 586 HB2 LEU 77 1HB LEU 77 -11.600 10.127 -4.979 587 HB3 LEU 77 2HB LEU 77 -12.892 10.981 -5.829 588 HG LEU 77 HG LEU 77 -11.043 12.212 -3.754 589 HD11 LEU 77 1HD1 LEU 77 -10.061 13.372 -5.681 590 HD12 LEU 77 2HD1 LEU 77 -9.877 11.607 -5.813 591 HD13 LEU 77 3HD1 LEU 77 -11.116 12.447 -6.776 592 HD21 LEU 77 1HD2 LEU 77 -12.066 14.330 -4.514 593 HD22 LEU 77 2HD2 LEU 77 -13.150 13.419 -5.593 594 HD23 LEU 77 3HD2 LEU 77 -13.292 13.237 -3.829 595 H ASN 78 H ASN 78 -12.971 8.140 -3.009 596 HA ASN 78 HA ASN 78 -14.382 6.827 -5.145 597 HB2 ASN 78 1HB ASN 78 -12.514 5.804 -3.854 598 HB3 ASN 78 2HB ASN 78 -13.553 5.731 -2.437 599 HD21 ASN 78 1HD2 ASN 78 -14.332 2.485 -3.406 600 HD22 ASN 78 2HD2 ASN 78 -13.571 3.531 -2.255 601 H GLY 79 H GLY 79 -16.467 7.066 -5.454 602 HA2 GLY 79 1HA GLY 79 -18.686 6.335 -4.984 603 HA3 GLY 79 2HA GLY 79 -18.275 6.172 -3.287 604 H ARG 80 H ARG 80 -16.978 9.059 -4.284 605 HA ARG 80 HA ARG 80 -18.913 10.640 -2.857 606 HB2 ARG 80 1HB ARG 80 -16.519 11.244 -3.019 607 HB3 ARG 80 2HB ARG 80 -16.698 11.511 -4.746 608 HG2 ARG 80 1HG ARG 80 -18.184 13.385 -4.358 609 HG3 ARG 80 2HG ARG 80 -18.166 13.072 -2.606 610 HD2 ARG 80 1HD ARG 80 -15.851 13.590 -2.475 611 HD3 ARG 80 2HD ARG 80 -15.726 13.705 -4.246 612 HE ARG 80 HE ARG 80 -17.700 15.516 -3.280 613 HH11 ARG 80 1HH1 ARG 80 -14.222 15.045 -3.410 614 HH12 ARG 80 2HH1 ARG 80 -13.862 16.756 -3.354 615 HH21 ARG 80 1HH2 ARG 80 -17.221 17.734 -3.207 616 HH22 ARG 80 2HH2 ARG 80 -15.558 18.279 -3.238 617 H GLU 81 H GLU 81 -20.674 11.680 -3.508 618 HA GLU 81 HA GLU 81 -21.537 11.261 -6.290 619 HB2 GLU 81 1HB GLU 81 -23.097 10.834 -4.406 620 HB3 GLU 81 2HB GLU 81 -22.980 12.519 -3.920 621 HG2 GLU 81 1HG GLU 81 -23.980 13.216 -6.051 622 HG3 GLU 81 2HG GLU 81 -24.078 11.532 -6.562 623 H PHE 82 H PHE 82 -21.567 12.715 -7.857 624 HA PHE 82 HA PHE 82 -21.097 15.570 -7.100 625 HB2 PHE 82 1HB PHE 82 -20.224 14.120 -9.631 626 HB3 PHE 82 2HB PHE 82 -19.992 15.830 -9.308 627 HD1 PHE 82 HD1 PHE 82 -18.872 12.440 -8.546 628 HD2 PHE 82 HD2 PHE 82 -18.364 16.586 -7.650 629 HE1 PHE 82 HE1 PHE 82 -16.717 11.936 -7.445 630 HE2 PHE 82 HE2 PHE 82 -16.207 16.086 -6.550 631 HZ PHE 82 HZ PHE 82 -15.384 13.759 -6.446 632 H SER 83 H SER 83 -23.400 15.811 -6.914 633 HA SER 83 HA SER 83 -25.469 16.426 -7.713 634 HB2 SER 83 1HB SER 83 -23.932 16.893 -10.291 635 HB3 SER 83 2HB SER 83 -25.553 17.479 -9.951 636 HG SER 83 HG SER 83 -24.251 19.091 -9.435 637 H GLY 84 H GLY 84 -24.846 13.670 -7.725 638 HA2 GLY 84 1HA GLY 84 -26.427 11.950 -8.316 639 HA3 GLY 84 2HA GLY 84 -26.800 12.809 -9.799 640 H ARG 85 H ARG 85 -23.707 13.243 -9.992 641 HA ARG 85 HA ARG 85 -23.283 10.681 -11.458 642 HB2 ARG 85 1HB ARG 85 -21.999 13.406 -11.852 643 HB3 ARG 85 2HB ARG 85 -21.623 11.966 -12.786 644 HG2 ARG 85 1HG ARG 85 -23.862 11.915 -13.711 645 HG3 ARG 85 2HG ARG 85 -24.348 13.283 -12.680 646 HD2 ARG 85 1HD ARG 85 -22.684 14.684 -13.776 647 HD3 ARG 85 2HD ARG 85 -22.235 13.317 -14.823 648 HE ARG 85 HE ARG 85 -25.042 13.815 -14.971 649 HH11 ARG 85 1HH1 ARG 85 -21.942 15.092 -16.019 650 HH12 ARG 85 2HH1 ARG 85 -22.597 15.849 -17.453 651 HH21 ARG 85 1HH2 ARG 85 -25.881 14.802 -16.835 652 HH22 ARG 85 2HH2 ARG 85 -24.827 15.686 -17.916 653 H ALA 86 H ALA 86 -22.587 9.596 -9.522 654 HA ALA 86 HA ALA 86 -20.298 10.611 -8.055 655 HB1 ALA 86 1HB ALA 86 -20.404 8.444 -6.867 656 HB2 ALA 86 2HB ALA 86 -21.999 9.229 -6.951 657 HB3 ALA 86 3HB ALA 86 -21.617 7.872 -8.036 658 H LEU 87 H LEU 87 -18.222 9.723 -7.915 659 HA LEU 87 HA LEU 87 -17.401 8.275 -10.395 660 HB2 LEU 87 1HB LEU 87 -15.770 10.080 -8.572 661 HB3 LEU 87 2HB LEU 87 -15.160 9.251 -10.008 662 HG LEU 87 HG LEU 87 -17.288 11.421 -9.991 663 HD11 LEU 87 1HD1 LEU 87 -15.535 12.789 -11.030 664 HD12 LEU 87 2HD1 LEU 87 -15.071 12.253 -9.398 665 HD13 LEU 87 3HD1 LEU 87 -14.375 11.455 -10.829 666 HD21 LEU 87 1HD2 LEU 87 -17.008 11.330 -12.445 667 HD22 LEU 87 2HD2 LEU 87 -15.868 9.974 -12.265 668 HD23 LEU 87 3HD2 LEU 87 -17.575 9.768 -11.808 669 H ARG 88 H ARG 88 -16.016 6.534 -10.283 670 HA ARG 88 HA ARG 88 -15.679 5.361 -7.566 671 HB2 ARG 88 1HB ARG 88 -16.818 3.928 -9.192 672 HB3 ARG 88 2HB ARG 88 -15.483 4.098 -10.321 673 HG2 ARG 88 1HG ARG 88 -13.997 2.912 -8.776 674 HG3 ARG 88 2HG ARG 88 -15.331 2.762 -7.607 675 HD2 ARG 88 1HD ARG 88 -16.602 1.463 -9.192 676 HD3 ARG 88 2HD ARG 88 -15.313 1.652 -10.404 677 HE ARG 88 HE ARG 88 -14.196 0.548 -8.056 678 HH11 ARG 88 1HH1 ARG 88 -16.412 -0.306 -10.644 679 HH12 ARG 88 2HH1 ARG 88 -16.055 -2.017 -10.554 680 HH21 ARG 88 1HH2 ARG 88 -13.741 -1.674 -7.948 681 HH22 ARG 88 2HH2 ARG 88 -14.544 -2.792 -9.029 682 H VAL 89 H VAL 89 -13.750 5.277 -6.630 683 HA VAL 89 HA VAL 89 -11.380 5.939 -8.323 684 HB VAL 89 HB VAL 89 -12.056 7.130 -5.598 685 HG11 VAL 89 1HG1 VAL 89 -10.079 8.526 -5.957 686 HG12 VAL 89 2HG1 VAL 89 -9.669 6.796 -5.887 687 HG13 VAL 89 3HG1 VAL 89 -9.723 7.636 -7.456 688 HG21 VAL 89 1HG2 VAL 89 -12.276 9.250 -6.855 689 HG22 VAL 89 2HG2 VAL 89 -11.991 8.375 -8.378 690 HG23 VAL 89 3HG2 VAL 89 -13.453 8.042 -7.420 691 H ASP 90 H ASP 90 -9.580 4.809 -7.931 692 HA ASP 90 HA ASP 90 -9.247 3.393 -5.369 693 HB2 ASP 90 1HB ASP 90 -10.601 1.978 -7.182 694 HB3 ASP 90 2HB ASP 90 -8.996 1.703 -7.846 695 H ASN 91 H ASN 91 -7.150 2.082 -5.419 696 HA ASN 91 HA ASN 91 -5.072 3.917 -6.351 697 HB2 ASN 91 1HB ASN 91 -5.045 2.736 -4.119 698 HB3 ASN 91 2HB ASN 91 -4.750 1.231 -4.979 699 HD21 ASN 91 1HD2 ASN 91 -1.530 2.725 -3.850 700 HD22 ASN 91 2HD2 ASN 91 -3.014 2.290 -3.069 701 H ALA 92 H ALA 92 -3.955 3.832 -8.141 702 HA ALA 92 HA ALA 92 -4.624 1.881 -10.141 703 HB1 ALA 92 1HB ALA 92 -2.908 3.026 -11.505 704 HB2 ALA 92 2HB ALA 92 -4.009 4.185 -10.722 705 HB3 ALA 92 3HB ALA 92 -2.376 3.926 -10.066 706 H ALA 93 H ALA 93 -2.242 1.996 -7.650 707 HA ALA 93 HA ALA 93 -0.199 0.424 -8.823 708 HB1 ALA 93 1HB ALA 93 0.464 -0.096 -6.497 709 HB2 ALA 93 2HB ALA 93 0.096 1.633 -6.708 710 HB3 ALA 93 3HB ALA 93 -1.084 0.562 -5.918 711 H SER 94 H SER 94 0.057 -1.654 -9.268 712 HA SER 94 HA SER 94 -2.185 -3.479 -8.942 713 HB2 SER 94 1HB SER 94 -0.832 -5.058 -10.129 714 HB3 SER 94 2HB SER 94 -0.605 -3.492 -10.891 715 HG SER 94 HG SER 94 1.368 -4.206 -10.636 716 H GLU 95 H GLU 95 -1.802 -5.717 -8.062 717 HA GLU 95 HA GLU 95 -1.198 -5.489 -5.270 718 HB2 GLU 95 1HB GLU 95 -1.616 -7.928 -7.042 719 HB3 GLU 95 2HB GLU 95 -1.466 -8.002 -5.292 720 HG2 GLU 95 1HG GLU 95 -3.624 -6.549 -6.837 721 HG3 GLU 95 2HG GLU 95 -3.792 -8.091 -6.000 722 H LYS 96 H LYS 96 0.632 -6.665 -8.055 723 HA LYS 96 HA LYS 96 2.836 -7.731 -6.560 724 HB2 LYS 96 1HB LYS 96 2.624 -6.641 -9.390 725 HB3 LYS 96 2HB LYS 96 4.099 -7.345 -8.742 726 HG2 LYS 96 1HG LYS 96 2.934 -9.483 -8.376 727 HG3 LYS 96 2HG LYS 96 1.439 -8.777 -9.006 728 HD2 LYS 96 1HD LYS 96 2.557 -8.352 -11.176 729 HD3 LYS 96 2HD LYS 96 4.047 -9.069 -10.544 730 HE2 LYS 96 1HE LYS 96 2.888 -11.219 -10.215 731 HE3 LYS 96 2HE LYS 96 1.381 -10.510 -10.801 732 HZ1 LYS 96 1HZ LYS 96 2.505 -11.732 -12.514 733 HZ2 LYS 96 2HZ LYS 96 2.448 -10.133 -12.917 734 HZ3 LYS 96 3HZ LYS 96 3.856 -10.796 -12.370 735 H ASN 97 H ASN 97 2.137 -4.505 -7.877 736 HA ASN 97 HA ASN 97 4.640 -3.344 -7.068 737 HB2 ASN 97 1HB ASN 97 1.922 -2.149 -7.673 738 HB3 ASN 97 2HB ASN 97 3.322 -1.172 -7.252 739 HD21 ASN 97 1HD2 ASN 97 3.340 -1.144 -10.856 740 HD22 ASN 97 2HD2 ASN 97 2.489 -0.449 -9.518 741 H LYS 98 H LYS 98 1.542 -3.811 -5.444 742 HA LYS 98 HA LYS 98 2.123 -2.248 -3.127 743 HB2 LYS 98 1HB LYS 98 0.359 -4.688 -3.547 744 HB3 LYS 98 2HB LYS 98 0.451 -3.830 -2.015 745 HG2 LYS 98 1HG LYS 98 -0.375 -1.784 -3.075 746 HG3 LYS 98 2HG LYS 98 -0.404 -2.593 -4.648 747 HD2 LYS 98 1HD LYS 98 -2.012 -4.271 -3.694 748 HD3 LYS 98 2HD LYS 98 -2.051 -3.324 -2.200 749 HE2 LYS 98 1HE LYS 98 -2.900 -1.374 -3.434 750 HE3 LYS 98 2HE LYS 98 -2.811 -2.273 -4.951 751 HZ1 LYS 98 1HZ LYS 98 -5.022 -2.271 -4.056 752 HZ2 LYS 98 2HZ LYS 98 -4.428 -3.810 -4.067 753 HZ3 LYS 98 3HZ LYS 98 -4.513 -2.969 -2.651 754 H GLU 99 H GLU 99 2.846 -5.621 -3.964 755 HA GLU 99 HA GLU 99 3.909 -6.335 -1.400 756 HB2 GLU 99 1HB GLU 99 4.379 -7.460 -4.186 757 HB3 GLU 99 2HB GLU 99 5.068 -8.172 -2.734 758 HG2 GLU 99 1HG GLU 99 2.116 -7.836 -3.313 759 HG3 GLU 99 2HG GLU 99 3.042 -9.328 -3.460 760 H GLU 100 H GLU 100 5.359 -4.926 -4.316 761 HA GLU 100 HA GLU 100 8.051 -4.868 -3.377 762 HB2 GLU 100 1HB GLU 100 7.533 -4.382 -5.702 763 HB3 GLU 100 2HB GLU 100 6.532 -3.010 -5.247 764 HG2 GLU 100 1HG GLU 100 8.605 -2.185 -6.078 765 HG3 GLU 100 2HG GLU 100 8.550 -1.877 -4.343 766 H LEU 101 H LEU 101 5.377 -2.533 -3.029 767 HA LEU 101 HA LEU 101 6.863 -0.553 -1.629 768 HB2 LEU 101 1HB LEU 101 3.914 -1.269 -1.562 769 HB3 LEU 101 2HB LEU 101 4.593 0.155 -0.767 770 HG LEU 101 HG LEU 101 4.754 -0.368 -3.756 771 HD11 LEU 101 1HD1 LEU 101 2.978 1.316 -3.935 772 HD12 LEU 101 2HD1 LEU 101 2.435 -0.119 -3.034 773 HD13 LEU 101 3HD1 LEU 101 2.854 1.375 -2.161 774 HD21 LEU 101 1HD2 LEU 101 5.384 2.021 -3.817 775 HD22 LEU 101 2HD2 LEU 101 5.295 2.091 -2.041 776 HD23 LEU 101 3HD2 LEU 101 6.530 1.082 -2.830 777 H LYS 102 H LYS 102 5.170 -3.459 -0.529 778 HA LYS 102 HA LYS 102 5.384 -2.984 2.270 779 HB2 LYS 102 1HB LYS 102 5.305 -5.551 0.645 780 HB3 LYS 102 2HB LYS 102 5.318 -5.539 2.403 781 HG2 LYS 102 1HG LYS 102 3.214 -4.278 2.435 782 HG3 LYS 102 2HG LYS 102 3.207 -4.225 0.667 783 HD2 LYS 102 1HD LYS 102 3.168 -6.722 0.623 784 HD3 LYS 102 2HD LYS 102 3.082 -6.727 2.391 785 HE2 LYS 102 1HE LYS 102 0.960 -5.482 2.308 786 HE3 LYS 102 2HE LYS 102 1.049 -5.418 0.546 787 HZ1 LYS 102 1HZ LYS 102 -0.375 -7.179 1.295 788 HZ2 LYS 102 2HZ LYS 102 0.931 -7.815 0.512 789 HZ3 LYS 102 3HZ LYS 102 0.847 -7.874 2.159 790 H SER 103 H SER 103 7.630 -4.488 -0.041 791 HA SER 103 HA SER 103 9.573 -5.142 2.015 792 HB2 SER 103 1HB SER 103 10.977 -5.842 0.204 793 HB3 SER 103 2HB SER 103 9.338 -6.353 -0.168 794 HG SER 103 HG SER 103 9.329 -4.119 -1.212 795 H LEU 104 H LEU 104 8.872 -2.367 0.025 796 HA LEU 104 HA LEU 104 11.435 -1.069 0.512 797 HB2 LEU 104 1HB LEU 104 8.761 -0.044 -0.498 798 HB3 LEU 104 2HB LEU 104 10.205 0.964 -0.353 799 HG LEU 104 HG LEU 104 10.011 -1.511 -2.106 800 HD11 LEU 104 1HD1 LEU 104 9.847 0.083 -3.966 801 HD12 LEU 104 2HD1 LEU 104 8.467 0.228 -2.852 802 HD13 LEU 104 3HD1 LEU 104 9.778 1.430 -2.805 803 HD21 LEU 104 1HD2 LEU 104 12.093 -0.601 -3.079 804 HD22 LEU 104 2HD2 LEU 104 12.057 0.737 -1.906 805 HD23 LEU 104 3HD2 LEU 104 12.291 -0.935 -1.341 806 H GLY 105 H GLY 105 8.245 -1.124 2.015 807 HA2 GLY 105 1HA GLY 105 7.968 -0.658 4.368 808 HA3 GLY 105 2HA GLY 105 9.376 0.386 4.320 809 H THR 106 H THR 106 6.955 0.514 1.786 810 HA THR 106 HA THR 106 6.157 3.213 2.782 811 HB THR 106 HB THR 106 6.095 2.073 -0.046 812 HG1 THR 106 HG1 THR 106 7.896 3.600 1.425 813 HG21 THR 106 1HG2 THR 106 5.430 4.351 -0.710 814 HG22 THR 106 2HG2 THR 106 4.221 3.627 0.376 815 HG23 THR 106 3HG2 THR 106 5.366 4.836 1.000 Start of MODEL 7 1 H MET 1 1H MET 1 -0.551 6.916 -20.192 2 HA MET 1 HA MET 1 -1.398 7.169 -17.996 3 HB2 MET 1 1HB MET 1 -1.854 4.442 -19.265 4 HB3 MET 1 2HB MET 1 -2.882 5.160 -18.034 5 HG2 MET 1 1HG MET 1 -2.383 6.351 -20.776 6 HG3 MET 1 2HG MET 1 -3.786 5.380 -20.327 7 HE1 MET 1 1HE MET 1 -5.286 8.991 -20.636 8 HE2 MET 1 2HE MET 1 -3.991 8.277 -21.628 9 HE3 MET 1 3HE MET 1 -5.404 7.296 -21.168 10 H ALA 2 H ALA 2 -1.834 6.120 -15.949 11 HA ALA 2 HA ALA 2 0.627 4.930 -14.879 12 HB1 ALA 2 1HB ALA 2 -0.501 5.166 -12.690 13 HB2 ALA 2 2HB ALA 2 -0.512 6.692 -13.606 14 HB3 ALA 2 3HB ALA 2 -1.982 5.695 -13.520 15 H GLY 3 H GLY 3 0.446 3.097 -13.311 16 HA2 GLY 3 1HA GLY 3 -0.982 1.102 -12.726 17 HA3 GLY 3 2HA GLY 3 -1.411 1.022 -14.424 18 H LEU 4 H LEU 4 1.523 1.937 -14.953 19 HA LEU 4 HA LEU 4 2.663 -0.703 -15.246 20 HB2 LEU 4 1HB LEU 4 3.155 1.169 -16.789 21 HB3 LEU 4 2HB LEU 4 3.956 2.039 -15.477 22 HG LEU 4 HG LEU 4 5.638 0.176 -15.348 23 HD11 LEU 4 1HD1 LEU 4 5.746 -1.402 -17.225 24 HD12 LEU 4 2HD1 LEU 4 4.244 -1.594 -16.290 25 HD13 LEU 4 3HD1 LEU 4 4.215 -0.754 -17.859 26 HD21 LEU 4 1HD2 LEU 4 6.813 0.862 -17.412 27 HD22 LEU 4 2HD2 LEU 4 5.297 1.543 -18.050 28 HD23 LEU 4 3HD2 LEU 4 6.059 2.261 -16.610 29 H THR 5 H THR 5 3.776 -1.872 -13.857 30 HA THR 5 HA THR 5 5.038 -0.467 -11.542 31 HB THR 5 HB THR 5 4.478 -2.461 -10.142 32 HG1 THR 5 HG1 THR 5 4.149 -3.799 -12.150 33 HG21 THR 5 1HG2 THR 5 2.080 -1.956 -9.885 34 HG22 THR 5 2HG2 THR 5 3.025 -0.464 -10.103 35 HG23 THR 5 3HG2 THR 5 2.082 -1.127 -11.459 36 H VAL 6 H VAL 6 6.078 -1.418 -14.180 37 HA VAL 6 HA VAL 6 7.809 -3.676 -13.436 38 HB VAL 6 HB VAL 6 7.649 -1.969 -15.956 39 HG11 VAL 6 1HG1 VAL 6 9.091 -3.654 -16.989 40 HG12 VAL 6 2HG1 VAL 6 9.906 -2.807 -15.653 41 HG13 VAL 6 3HG1 VAL 6 9.281 -4.457 -15.412 42 HG21 VAL 6 1HG2 VAL 6 6.636 -4.008 -16.925 43 HG22 VAL 6 2HG2 VAL 6 6.749 -4.814 -15.342 44 HG23 VAL 6 3HG2 VAL 6 5.680 -3.406 -15.550 45 H ARG 7 H ARG 7 8.435 -0.398 -14.764 46 HA ARG 7 HA ARG 7 11.116 -0.370 -13.612 47 HB2 ARG 7 1HB ARG 7 9.472 1.799 -14.961 48 HB3 ARG 7 2HB ARG 7 11.145 1.987 -14.458 49 HG2 ARG 7 1HG ARG 7 11.828 0.214 -16.011 50 HG3 ARG 7 2HG ARG 7 10.133 0.008 -16.515 51 HD2 ARG 7 1HD ARG 7 10.086 2.315 -17.280 52 HD3 ARG 7 2HD ARG 7 11.784 2.509 -16.788 53 HE ARG 7 HE ARG 7 11.644 0.289 -18.500 54 HH11 ARG 7 1HH1 ARG 7 11.130 3.762 -18.626 55 HH12 ARG 7 2HH1 ARG 7 11.569 3.892 -20.315 56 HH21 ARG 7 1HH2 ARG 7 12.212 0.471 -20.691 57 HH22 ARG 7 2HH2 ARG 7 12.181 2.030 -21.485 58 H ASP 8 H ASP 8 11.877 0.832 -11.907 59 HA ASP 8 HA ASP 8 10.126 0.918 -9.674 60 HB2 ASP 8 1HB ASP 8 12.896 2.053 -10.164 61 HB3 ASP 8 2HB ASP 8 12.070 2.272 -8.627 62 HA PRO 9 HA PRO 9 10.294 5.785 -10.439 63 HB2 PRO 9 1HB PRO 9 10.285 5.411 -13.463 64 HB3 PRO 9 2HB PRO 9 10.901 6.772 -12.516 65 HG2 PRO 9 1HG PRO 9 12.667 5.041 -13.455 66 HG3 PRO 9 2HG PRO 9 12.827 5.563 -11.776 67 HD2 PRO 9 1HD PRO 9 11.628 2.987 -12.876 68 HD3 PRO 9 2HD PRO 9 12.748 3.212 -11.473 69 H ALA 10 H ALA 10 8.898 3.486 -12.814 70 HA ALA 10 HA ALA 10 6.402 4.880 -13.077 71 HB1 ALA 10 1HB ALA 10 5.617 2.802 -14.167 72 HB2 ALA 10 2HB ALA 10 7.208 3.310 -14.783 73 HB3 ALA 10 3HB ALA 10 7.090 1.969 -13.620 74 H VAL 11 H VAL 11 7.501 2.217 -11.008 75 HA VAL 11 HA VAL 11 5.043 1.499 -9.849 76 HB VAL 11 HB VAL 11 7.832 1.633 -8.635 77 HG11 VAL 11 1HG1 VAL 11 6.997 0.137 -6.887 78 HG12 VAL 11 2HG1 VAL 11 6.190 1.723 -6.849 79 HG13 VAL 11 3HG1 VAL 11 5.347 0.310 -7.528 80 HG21 VAL 11 1HG2 VAL 11 7.785 -0.808 -9.042 81 HG22 VAL 11 2HG2 VAL 11 6.160 -0.656 -9.753 82 HG23 VAL 11 3HG2 VAL 11 7.557 0.102 -10.554 83 H ASP 12 H ASP 12 7.370 3.996 -8.763 84 HA ASP 12 HA ASP 12 5.864 4.878 -6.528 85 HB2 ASP 12 1HB ASP 12 7.890 6.288 -8.298 86 HB3 ASP 12 2HB ASP 12 7.170 7.062 -6.893 87 H ARG 13 H ARG 13 5.831 5.933 -9.926 88 HA ARG 13 HA ARG 13 3.980 8.092 -9.505 89 HB2 ARG 13 1HB ARG 13 4.707 6.503 -11.986 90 HB3 ARG 13 2HB ARG 13 3.639 7.898 -12.004 91 HG2 ARG 13 1HG ARG 13 5.517 9.264 -11.048 92 HG3 ARG 13 2HG ARG 13 6.572 7.847 -11.270 93 HD2 ARG 13 1HD ARG 13 6.861 9.240 -13.143 94 HD3 ARG 13 2HD ARG 13 5.885 7.851 -13.673 95 HE ARG 13 HE ARG 13 4.249 10.066 -12.843 96 HH11 ARG 13 1HH1 ARG 13 6.190 8.819 -15.493 97 HH12 ARG 13 2HH1 ARG 13 5.309 9.701 -16.719 98 HH21 ARG 13 1HH2 ARG 13 3.112 11.205 -14.445 99 HH22 ARG 13 2HH2 ARG 13 3.566 11.052 -16.127 100 H SER 14 H SER 14 3.615 4.664 -10.331 101 HA SER 14 HA SER 14 0.783 4.861 -10.890 102 HB2 SER 14 1HB SER 14 2.590 2.508 -10.258 103 HB3 SER 14 2HB SER 14 0.893 2.345 -10.682 104 HG SER 14 HG SER 14 2.804 2.399 -12.306 105 H LEU 15 H LEU 15 2.730 4.310 -8.022 106 HA LEU 15 HA LEU 15 0.539 3.408 -6.363 107 HB2 LEU 15 1HB LEU 15 3.279 4.555 -5.758 108 HB3 LEU 15 2HB LEU 15 2.142 4.089 -4.490 109 HG LEU 15 HG LEU 15 3.225 2.190 -6.600 110 HD11 LEU 15 1HD1 LEU 15 4.637 1.325 -4.788 111 HD12 LEU 15 2HD1 LEU 15 5.011 3.025 -5.158 112 HD13 LEU 15 3HD1 LEU 15 4.052 2.618 -3.715 113 HD21 LEU 15 1HD2 LEU 15 2.293 0.475 -5.084 114 HD22 LEU 15 2HD2 LEU 15 1.675 1.756 -4.013 115 HD23 LEU 15 3HD2 LEU 15 1.021 1.579 -5.659 116 H ARG 16 H ARG 16 2.018 6.549 -7.084 117 HA ARG 16 HA ARG 16 0.271 7.899 -5.136 118 HB2 ARG 16 1HB ARG 16 1.496 9.880 -5.641 119 HB3 ARG 16 2HB ARG 16 2.670 8.575 -5.542 120 HG2 ARG 16 1HG ARG 16 2.597 8.436 -8.061 121 HG3 ARG 16 2HG ARG 16 1.617 9.922 -8.034 122 HD2 ARG 16 1HD ARG 16 3.429 11.013 -6.753 123 HD3 ARG 16 2HD ARG 16 4.411 9.549 -6.987 124 HE ARG 16 HE ARG 16 3.460 10.424 -9.502 125 HH11 ARG 16 1HH1 ARG 16 5.689 11.402 -6.969 126 HH12 ARG 16 2HH1 ARG 16 6.750 12.262 -8.062 127 HH21 ARG 16 1HH2 ARG 16 4.845 11.544 -10.910 128 HH22 ARG 16 2HH2 ARG 16 6.273 12.343 -10.293 129 H SER 17 H SER 17 0.076 6.873 -8.357 130 HA SER 17 HA SER 17 -2.045 8.865 -8.958 131 HB2 SER 17 1HB SER 17 -0.490 8.398 -10.767 132 HB3 SER 17 2HB SER 17 -0.777 6.670 -10.625 133 HG SER 17 HG SER 17 -2.941 7.065 -11.148 134 H VAL 18 H VAL 18 -4.176 8.336 -9.248 135 HA VAL 18 HA VAL 18 -4.933 5.562 -8.426 136 HB VAL 18 HB VAL 18 -7.017 6.527 -7.516 137 HG11 VAL 18 1HG1 VAL 18 -6.058 7.676 -5.581 138 HG12 VAL 18 2HG1 VAL 18 -5.120 6.232 -6.031 139 HG13 VAL 18 3HG1 VAL 18 -4.517 7.854 -6.451 140 HG21 VAL 18 1HG2 VAL 18 -7.245 8.984 -7.324 141 HG22 VAL 18 2HG2 VAL 18 -5.741 9.194 -8.252 142 HG23 VAL 18 3HG2 VAL 18 -7.173 8.476 -9.027 143 H PHE 19 H PHE 19 -6.747 4.613 -9.424 144 HA PHE 19 HA PHE 19 -7.213 5.662 -12.166 145 HB2 PHE 19 1HB PHE 19 -6.420 3.323 -11.942 146 HB3 PHE 19 2HB PHE 19 -7.822 2.934 -10.958 147 HD1 PHE 19 HD1 PHE 19 -7.341 4.773 -14.190 148 HD2 PHE 19 HD2 PHE 19 -9.313 1.617 -12.091 149 HE1 PHE 19 HE1 PHE 19 -8.619 4.216 -16.231 150 HE2 PHE 19 HE2 PHE 19 -10.591 1.056 -14.132 151 HZ PHE 19 HZ PHE 19 -10.245 2.358 -16.202 152 H VAL 20 H VAL 20 -9.067 6.539 -12.764 153 HA VAL 20 HA VAL 20 -11.326 6.375 -10.813 154 HB VAL 20 HB VAL 20 -10.651 8.659 -12.715 155 HG11 VAL 20 1HG1 VAL 20 -12.317 9.906 -11.428 156 HG12 VAL 20 2HG1 VAL 20 -13.023 8.483 -12.229 157 HG13 VAL 20 3HG1 VAL 20 -12.681 8.444 -10.482 158 HG21 VAL 20 1HG2 VAL 20 -9.955 9.865 -10.670 159 HG22 VAL 20 2HG2 VAL 20 -10.244 8.396 -9.707 160 HG23 VAL 20 3HG2 VAL 20 -8.955 8.417 -10.935 161 H GLY 21 H GLY 21 -13.315 5.854 -11.513 162 HA2 GLY 21 1HA GLY 21 -13.704 5.529 -14.465 163 HA3 GLY 21 2HA GLY 21 -14.108 4.231 -13.358 164 H ASN 22 H ASN 22 -16.180 4.808 -14.729 165 HA ASN 22 HA ASN 22 -18.357 5.555 -14.703 166 HB2 ASN 22 1HB ASN 22 -17.670 6.261 -11.832 167 HB3 ASN 22 2HB ASN 22 -19.288 6.344 -12.515 168 HD21 ASN 22 1HD2 ASN 22 -18.556 3.061 -10.770 169 HD22 ASN 22 2HD2 ASN 22 -18.228 4.704 -10.332 170 H ILE 23 H ILE 23 -16.143 7.295 -15.517 171 HA ILE 23 HA ILE 23 -16.965 9.983 -14.668 172 HB ILE 23 HB ILE 23 -14.868 9.021 -16.659 173 HG12 ILE 23 1HG1 ILE 23 -14.526 10.290 -13.935 174 HG13 ILE 23 2HG1 ILE 23 -14.492 8.557 -14.222 175 HG21 ILE 23 1HG2 ILE 23 -14.092 11.357 -16.682 176 HG22 ILE 23 2HG2 ILE 23 -15.750 11.229 -17.311 177 HG23 ILE 23 3HG2 ILE 23 -15.470 11.830 -15.660 178 HD11 ILE 23 1HD1 ILE 23 -12.242 9.471 -14.103 179 HD12 ILE 23 2HD1 ILE 23 -12.573 8.832 -15.732 180 HD13 ILE 23 3HD1 ILE 23 -12.606 10.587 -15.440 181 HA PRO 24 HA PRO 24 -19.822 10.425 -17.989 182 HB2 PRO 24 1HB PRO 24 -20.408 13.077 -17.626 183 HB3 PRO 24 2HB PRO 24 -21.012 11.826 -16.532 184 HG2 PRO 24 1HG PRO 24 -18.578 13.634 -16.211 185 HG3 PRO 24 2HG PRO 24 -19.847 13.289 -15.032 186 HD2 PRO 24 1HD PRO 24 -17.463 11.962 -14.986 187 HD3 PRO 24 2HD PRO 24 -19.012 11.144 -14.529 188 H TYR 25 H TYR 25 -19.675 11.098 -20.108 189 HA TYR 25 HA TYR 25 -17.072 11.749 -21.084 190 HB2 TYR 25 1HB TYR 25 -18.049 11.710 -23.267 191 HB3 TYR 25 2HB TYR 25 -18.880 10.479 -22.327 192 HD1 TYR 25 HD1 TYR 25 -19.177 13.738 -23.975 193 HD2 TYR 25 HD2 TYR 25 -21.203 10.758 -21.648 194 HE1 TYR 25 HE1 TYR 25 -21.349 14.771 -24.544 195 HE2 TYR 25 HE2 TYR 25 -23.375 11.790 -22.216 196 HH TYR 25 HH TYR 25 -23.552 14.694 -24.264 197 H GLU 26 H GLU 26 -19.690 13.719 -20.000 198 HA GLU 26 HA GLU 26 -19.051 16.085 -21.509 199 HB2 GLU 26 1HB GLU 26 -20.524 15.688 -18.876 200 HB3 GLU 26 2HB GLU 26 -20.385 17.241 -19.686 201 HG2 GLU 26 1HG GLU 26 -21.563 16.344 -21.641 202 HG3 GLU 26 2HG GLU 26 -21.679 14.769 -20.858 203 H ALA 27 H ALA 27 -17.769 14.641 -18.598 204 HA ALA 27 HA ALA 27 -16.506 17.068 -17.638 205 HB1 ALA 27 1HB ALA 27 -15.352 15.555 -16.058 206 HB2 ALA 27 2HB ALA 27 -17.105 15.253 -16.099 207 HB3 ALA 27 3HB ALA 27 -15.992 14.153 -16.945 208 H THR 28 H THR 28 -14.469 17.804 -17.868 209 HA THR 28 HA THR 28 -12.828 16.421 -19.939 210 HB THR 28 HB THR 28 -11.765 18.560 -20.374 211 HG1 THR 28 HG1 THR 28 -12.724 20.411 -19.099 212 HG21 THR 28 1HG2 THR 28 -13.700 19.902 -21.097 213 HG22 THR 28 2HG2 THR 28 -13.953 18.177 -21.457 214 HG23 THR 28 3HG2 THR 28 -14.770 18.925 -20.065 215 H GLU 29 H GLU 29 -10.412 16.864 -19.691 216 HA GLU 29 HA GLU 29 -9.556 15.588 -17.277 217 HB2 GLU 29 1HB GLU 29 -8.041 17.031 -19.481 218 HB3 GLU 29 2HB GLU 29 -7.233 16.249 -18.130 219 HG2 GLU 29 1HG GLU 29 -8.106 14.092 -18.775 220 HG3 GLU 29 2HG GLU 29 -9.103 14.823 -20.031 221 H GLU 30 H GLU 30 -9.517 18.971 -18.357 222 HA GLU 30 HA GLU 30 -7.962 19.942 -16.146 223 HB2 GLU 30 1HB GLU 30 -9.893 21.325 -18.046 224 HB3 GLU 30 2HB GLU 30 -8.954 22.184 -16.833 225 HG2 GLU 30 1HG GLU 30 -6.875 21.446 -17.877 226 HG3 GLU 30 2HG GLU 30 -7.781 20.504 -19.059 227 H GLN 31 H GLN 31 -11.457 19.646 -16.726 228 HA GLN 31 HA GLN 31 -12.299 21.034 -14.386 229 HB2 GLN 31 1HB GLN 31 -13.614 18.853 -16.043 230 HB3 GLN 31 2HB GLN 31 -14.418 19.625 -14.684 231 HG2 GLN 31 1HG GLN 31 -14.314 21.781 -15.768 232 HG3 GLN 31 2HG GLN 31 -13.357 21.090 -17.108 233 HE21 GLN 31 1HE2 GLN 31 -17.127 21.365 -17.790 234 HE22 GLN 31 2HE2 GLN 31 -16.047 22.457 -16.989 235 H LEU 32 H LEU 32 -11.788 17.542 -14.963 236 HA LEU 32 HA LEU 32 -12.571 16.793 -12.301 237 HB2 LEU 32 1HB LEU 32 -10.981 15.358 -14.450 238 HB3 LEU 32 2HB LEU 32 -11.431 14.610 -12.914 239 HG LEU 32 HG LEU 32 -13.425 15.683 -14.940 240 HD11 LEU 32 1HD1 LEU 32 -13.801 13.324 -15.504 241 HD12 LEU 32 2HD1 LEU 32 -12.135 13.830 -15.871 242 HD13 LEU 32 3HD1 LEU 32 -12.470 12.853 -14.422 243 HD21 LEU 32 1HD2 LEU 32 -15.026 14.377 -13.583 244 HD22 LEU 32 2HD2 LEU 32 -13.712 13.920 -12.472 245 HD23 LEU 32 3HD2 LEU 32 -14.218 15.622 -12.599 246 H LYS 33 H LYS 33 -9.464 17.525 -13.835 247 HA LYS 33 HA LYS 33 -7.771 16.786 -11.680 248 HB2 LYS 33 1HB LYS 33 -6.952 17.404 -13.939 249 HB3 LYS 33 2HB LYS 33 -7.446 19.070 -13.668 250 HG2 LYS 33 1HG LYS 33 -5.824 19.286 -11.845 251 HG3 LYS 33 2HG LYS 33 -5.354 17.592 -12.045 252 HD2 LYS 33 1HD LYS 33 -4.603 18.060 -14.349 253 HD3 LYS 33 2HD LYS 33 -5.097 19.750 -14.173 254 HE2 LYS 33 1HE LYS 33 -3.489 19.997 -12.286 255 HE3 LYS 33 2HE LYS 33 -2.967 18.329 -12.533 256 HZ1 LYS 33 1HZ LYS 33 -1.513 19.877 -13.617 257 HZ2 LYS 33 2HZ LYS 33 -2.264 18.937 -14.745 258 HZ3 LYS 33 3HZ LYS 33 -2.751 20.496 -14.514 259 H ASP 34 H ASP 34 -9.359 19.908 -12.388 260 HA ASP 34 HA ASP 34 -8.364 21.259 -10.083 261 HB2 ASP 34 1HB ASP 34 -10.834 21.684 -11.799 262 HB3 ASP 34 2HB ASP 34 -10.431 22.741 -10.453 263 H ILE 35 H ILE 35 -11.287 19.312 -10.625 264 HA ILE 35 HA ILE 35 -12.449 19.732 -8.054 265 HB ILE 35 HB ILE 35 -12.659 17.429 -10.029 266 HG12 ILE 35 1HG1 ILE 35 -14.686 19.543 -9.283 267 HG13 ILE 35 2HG1 ILE 35 -13.556 19.718 -10.616 268 HG21 ILE 35 1HG2 ILE 35 -14.582 16.656 -8.701 269 HG22 ILE 35 2HG2 ILE 35 -13.079 16.584 -7.752 270 HG23 ILE 35 3HG2 ILE 35 -14.242 17.902 -7.476 271 HD11 ILE 35 1HD1 ILE 35 -15.722 18.940 -11.399 272 HD12 ILE 35 2HD1 ILE 35 -14.474 17.701 -11.677 273 HD13 ILE 35 3HD1 ILE 35 -15.621 17.524 -10.327 274 H PHE 36 H PHE 36 -10.130 17.306 -9.249 275 HA PHE 36 HA PHE 36 -10.261 15.780 -6.776 276 HB2 PHE 36 1HB PHE 36 -8.438 15.629 -9.205 277 HB3 PHE 36 2HB PHE 36 -8.306 14.537 -7.835 278 HD1 PHE 36 HD1 PHE 36 -11.594 14.908 -7.666 279 HD2 PHE 36 HD2 PHE 36 -8.724 13.447 -10.474 280 HE1 PHE 36 HE1 PHE 36 -13.318 13.445 -8.665 281 HE2 PHE 36 HE2 PHE 36 -10.446 11.985 -11.477 282 HZ PHE 36 HZ PHE 36 -12.744 11.983 -10.570 283 H SER 37 H SER 37 -8.563 18.555 -7.814 284 HA SER 37 HA SER 37 -6.182 18.262 -6.239 285 HB2 SER 37 1HB SER 37 -5.816 20.560 -6.664 286 HB3 SER 37 2HB SER 37 -6.628 19.946 -8.096 287 HG SER 37 HG SER 37 -8.501 20.818 -7.425 288 H GLU 38 H GLU 38 -9.459 18.800 -5.400 289 HA GLU 38 HA GLU 38 -9.175 20.393 -3.067 290 HB2 GLU 38 1HB GLU 38 -11.193 18.241 -3.806 291 HB3 GLU 38 2HB GLU 38 -11.326 19.218 -2.351 292 HG2 GLU 38 1HG GLU 38 -11.469 21.253 -3.697 293 HG3 GLU 38 2HG GLU 38 -11.262 20.311 -5.172 294 H VAL 39 H VAL 39 -8.450 17.034 -3.671 295 HA VAL 39 HA VAL 39 -8.158 16.587 -0.730 296 HB VAL 39 HB VAL 39 -8.440 14.159 -1.272 297 HG11 VAL 39 1HG1 VAL 39 -10.850 14.250 -1.683 298 HG12 VAL 39 2HG1 VAL 39 -10.330 15.470 -0.496 299 HG13 VAL 39 3HG1 VAL 39 -10.702 15.956 -2.168 300 HG21 VAL 39 1HG2 VAL 39 -9.317 13.551 -3.504 301 HG22 VAL 39 2HG2 VAL 39 -9.114 15.236 -4.040 302 HG23 VAL 39 3HG2 VAL 39 -7.688 14.257 -3.623 303 H GLY 40 H GLY 40 -6.231 17.687 -2.822 304 HA2 GLY 40 1HA GLY 40 -3.853 17.257 -1.775 305 HA3 GLY 40 2HA GLY 40 -4.053 15.675 -2.504 306 HA PRO 41 HA PRO 41 -2.596 19.232 -5.468 307 HB2 PRO 41 1HB PRO 41 0.091 17.942 -4.867 308 HB3 PRO 41 2HB PRO 41 -0.271 19.631 -5.245 309 HG2 PRO 41 1HG PRO 41 0.189 18.984 -2.708 310 HG3 PRO 41 2HG PRO 41 -1.150 20.076 -3.076 311 HD2 PRO 41 1HD PRO 41 -1.221 17.092 -2.472 312 HD3 PRO 41 2HD PRO 41 -2.315 18.402 -1.871 313 H VAL 42 H VAL 42 -2.918 18.559 -7.504 314 HA VAL 42 HA VAL 42 -2.310 15.727 -8.183 315 HB VAL 42 HB VAL 42 -4.030 17.784 -9.635 316 HG11 VAL 42 1HG1 VAL 42 -4.804 15.888 -10.973 317 HG12 VAL 42 2HG1 VAL 42 -3.059 16.174 -11.170 318 HG13 VAL 42 3HG1 VAL 42 -3.633 14.831 -10.152 319 HG21 VAL 42 1HG2 VAL 42 -5.916 16.407 -8.817 320 HG22 VAL 42 2HG2 VAL 42 -4.773 15.372 -7.928 321 HG23 VAL 42 3HG2 VAL 42 -4.975 17.078 -7.464 322 H VAL 43 H VAL 43 -0.543 15.285 -9.286 323 HA VAL 43 HA VAL 43 1.057 17.366 -10.507 324 HB VAL 43 HB VAL 43 1.255 14.327 -10.604 325 HG11 VAL 43 1HG1 VAL 43 3.527 14.658 -11.447 326 HG12 VAL 43 2HG1 VAL 43 2.300 15.283 -12.575 327 HG13 VAL 43 3HG1 VAL 43 3.230 16.409 -11.557 328 HG21 VAL 43 1HG2 VAL 43 3.105 14.694 -9.003 329 HG22 VAL 43 2HG2 VAL 43 2.787 16.445 -9.038 330 HG23 VAL 43 3HG2 VAL 43 1.570 15.332 -8.369 331 H SER 44 H SER 44 -0.923 14.667 -11.759 332 HA SER 44 HA SER 44 -1.272 16.137 -14.290 333 HB2 SER 44 1HB SER 44 -0.429 14.406 -15.702 334 HB3 SER 44 2HB SER 44 0.830 14.772 -14.532 335 HG SER 44 HG SER 44 0.664 12.883 -13.753 336 H PHE 45 H PHE 45 -2.916 15.227 -15.663 337 HA PHE 45 HA PHE 45 -4.472 12.971 -14.586 338 HB2 PHE 45 1HB PHE 45 -5.410 15.014 -13.465 339 HB3 PHE 45 2HB PHE 45 -5.773 15.685 -15.047 340 HD1 PHE 45 HD1 PHE 45 -6.636 13.060 -12.619 341 HD2 PHE 45 HD2 PHE 45 -7.621 14.882 -16.356 342 HE1 PHE 45 HE1 PHE 45 -8.816 11.894 -12.611 343 HE2 PHE 45 HE2 PHE 45 -9.803 13.720 -16.350 344 HZ PHE 45 HZ PHE 45 -10.400 12.225 -14.477 345 H ARG 46 H ARG 46 -5.287 11.747 -16.149 346 HA ARG 46 HA ARG 46 -5.741 12.957 -18.823 347 HB2 ARG 46 1HB ARG 46 -4.030 10.509 -18.283 348 HB3 ARG 46 2HB ARG 46 -4.629 10.958 -19.872 349 HG2 ARG 46 1HG ARG 46 -2.870 12.752 -18.187 350 HG3 ARG 46 2HG ARG 46 -2.264 11.610 -19.411 351 HD2 ARG 46 1HD ARG 46 -3.654 12.748 -21.091 352 HD3 ARG 46 2HD ARG 46 -4.119 13.937 -19.853 353 HE ARG 46 HE ARG 46 -1.535 13.682 -21.200 354 HH11 ARG 46 1HH1 ARG 46 -3.380 15.127 -18.583 355 HH12 ARG 46 2HH1 ARG 46 -2.256 16.447 -18.352 356 HH21 ARG 46 1HH2 ARG 46 -0.083 15.400 -20.890 357 HH22 ARG 46 2HH2 ARG 46 -0.389 16.603 -19.657 358 H LEU 47 H LEU 47 -7.367 12.051 -19.998 359 HA LEU 47 HA LEU 47 -8.951 9.962 -18.587 360 HB2 LEU 47 1HB LEU 47 -9.677 11.983 -20.732 361 HB3 LEU 47 2HB LEU 47 -10.761 10.689 -20.211 362 HG LEU 47 HG LEU 47 -9.694 12.903 -18.422 363 HD11 LEU 47 1HD1 LEU 47 -11.990 13.766 -18.532 364 HD12 LEU 47 2HD1 LEU 47 -11.218 13.743 -20.135 365 HD13 LEU 47 3HD1 LEU 47 -12.411 12.494 -19.703 366 HD21 LEU 47 1HD2 LEU 47 -11.370 12.028 -16.830 367 HD22 LEU 47 2HD2 LEU 47 -11.784 10.731 -17.977 368 HD23 LEU 47 3HD2 LEU 47 -10.165 10.784 -17.239 369 H VAL 48 H VAL 48 -9.432 8.035 -19.479 370 HA VAL 48 HA VAL 48 -8.027 7.308 -21.966 371 HB VAL 48 HB VAL 48 -9.723 5.644 -20.055 372 HG11 VAL 48 1HG1 VAL 48 -8.765 3.706 -21.201 373 HG12 VAL 48 2HG1 VAL 48 -9.743 4.711 -22.296 374 HG13 VAL 48 3HG1 VAL 48 -7.966 4.790 -22.364 375 HG21 VAL 48 1HG2 VAL 48 -7.538 4.751 -19.315 376 HG22 VAL 48 2HG2 VAL 48 -6.707 5.873 -20.419 377 HG23 VAL 48 3HG2 VAL 48 -7.642 6.507 -19.043 378 H TYR 49 H TYR 49 -8.939 6.957 -23.899 379 HA TYR 49 HA TYR 49 -11.898 7.004 -24.108 380 HB2 TYR 49 1HB TYR 49 -11.884 8.798 -25.747 381 HB3 TYR 49 2HB TYR 49 -11.129 9.369 -24.266 382 HD1 TYR 49 HD1 TYR 49 -10.646 8.581 -27.791 383 HD2 TYR 49 HD2 TYR 49 -8.689 9.705 -24.141 384 HE1 TYR 49 HE1 TYR 49 -8.647 9.267 -29.073 385 HE2 TYR 49 HE2 TYR 49 -6.691 10.391 -25.424 386 HH TYR 49 HH TYR 49 -5.768 10.585 -27.428 387 H ASP 50 H ASP 50 -12.652 6.578 -26.341 388 HA ASP 50 HA ASP 50 -11.308 4.260 -27.394 389 HB2 ASP 50 1HB ASP 50 -13.776 4.620 -27.516 390 HB3 ASP 50 2HB ASP 50 -13.518 5.944 -28.644 391 H ARG 51 H ARG 51 -9.531 4.241 -28.559 392 HA ARG 51 HA ARG 51 -8.350 6.632 -29.569 393 HB2 ARG 51 1HB ARG 51 -7.745 3.708 -30.106 394 HB3 ARG 51 2HB ARG 51 -6.761 5.026 -30.721 395 HG2 ARG 51 1HG ARG 51 -6.304 5.754 -28.402 396 HG3 ARG 51 2HG ARG 51 -7.258 4.375 -27.806 397 HD2 ARG 51 1HD ARG 51 -5.742 2.843 -28.918 398 HD3 ARG 51 2HD ARG 51 -4.792 4.219 -29.524 399 HE ARG 51 HE ARG 51 -3.964 4.601 -27.372 400 HH11 ARG 51 1HH1 ARG 51 -6.273 1.954 -27.411 401 HH12 ARG 51 2HH1 ARG 51 -5.806 1.358 -25.834 402 HH21 ARG 51 1HH2 ARG 51 -3.367 3.818 -25.326 403 HH22 ARG 51 2HH2 ARG 51 -4.161 2.412 -24.653 404 H GLU 52 H GLU 52 -10.561 4.335 -30.967 405 HA GLU 52 HA GLU 52 -9.937 5.190 -33.720 406 HB2 GLU 52 1HB GLU 52 -11.936 3.185 -32.599 407 HB3 GLU 52 2HB GLU 52 -11.753 3.535 -34.312 408 HG2 GLU 52 1HG GLU 52 -9.408 2.775 -34.212 409 HG3 GLU 52 2HG GLU 52 -9.608 2.408 -32.500 410 H THR 53 H THR 53 -12.415 5.619 -31.252 411 HA THR 53 HA THR 53 -14.126 7.078 -33.187 412 HB THR 53 HB THR 53 -14.658 6.257 -30.299 413 HG1 THR 53 HG1 THR 53 -14.990 4.415 -31.302 414 HG21 THR 53 1HG2 THR 53 -16.988 6.880 -30.800 415 HG22 THR 53 2HG2 THR 53 -15.905 8.283 -30.963 416 HG23 THR 53 3HG2 THR 53 -16.496 7.440 -32.414 417 H GLY 54 H GLY 54 -12.636 7.557 -29.969 418 HA2 GLY 54 1HA GLY 54 -11.514 9.699 -29.496 419 HA3 GLY 54 2HA GLY 54 -12.703 10.503 -30.502 420 H LYS 55 H LYS 55 -14.526 8.270 -29.028 421 HA LYS 55 HA LYS 55 -15.564 10.214 -27.100 422 HB2 LYS 55 1HB LYS 55 -17.074 8.827 -28.518 423 HB3 LYS 55 2HB LYS 55 -16.475 7.376 -27.725 424 HG2 LYS 55 1HG LYS 55 -17.386 8.131 -25.582 425 HG3 LYS 55 2HG LYS 55 -17.931 9.640 -26.329 426 HD2 LYS 55 1HD LYS 55 -19.396 8.357 -27.857 427 HD3 LYS 55 2HD LYS 55 -18.851 6.848 -27.109 428 HE2 LYS 55 1HE LYS 55 -19.754 7.601 -24.932 429 HE3 LYS 55 2HE LYS 55 -20.299 9.106 -25.676 430 HZ1 LYS 55 1HZ LYS 55 -22.063 7.509 -25.522 431 HZ2 LYS 55 2HZ LYS 55 -21.726 7.814 -27.108 432 HZ3 LYS 55 3HZ LYS 55 -21.218 6.407 -26.411 433 HA PRO 56 HA PRO 56 -13.225 8.853 -23.651 434 HB2 PRO 56 1HB PRO 56 -15.716 9.864 -22.226 435 HB3 PRO 56 2HB PRO 56 -14.017 10.193 -21.862 436 HG2 PRO 56 1HG PRO 56 -15.414 12.069 -23.127 437 HG3 PRO 56 2HG PRO 56 -13.774 11.714 -23.678 438 HD2 PRO 56 1HD PRO 56 -16.431 10.792 -24.843 439 HD3 PRO 56 2HD PRO 56 -14.953 11.382 -25.703 440 H LYS 57 H LYS 57 -13.182 6.989 -22.461 441 HA LYS 57 HA LYS 57 -15.459 5.143 -22.749 442 HB2 LYS 57 1HB LYS 57 -12.670 4.802 -21.583 443 HB3 LYS 57 2HB LYS 57 -13.877 3.524 -21.614 444 HG2 LYS 57 1HG LYS 57 -13.932 3.641 -24.086 445 HG3 LYS 57 2HG LYS 57 -12.694 4.905 -24.040 446 HD2 LYS 57 1HD LYS 57 -11.141 3.345 -22.908 447 HD3 LYS 57 2HD LYS 57 -12.379 2.081 -22.955 448 HE2 LYS 57 1HE LYS 57 -12.365 2.094 -25.395 449 HE3 LYS 57 2HE LYS 57 -11.243 3.457 -25.416 450 HZ1 LYS 57 1HZ LYS 57 -10.119 1.383 -25.767 451 HZ2 LYS 57 2HZ LYS 57 -9.613 2.056 -24.348 452 HZ3 LYS 57 3HZ LYS 57 -10.661 0.783 -24.330 453 H GLY 58 H GLY 58 -14.487 7.489 -20.558 454 HA2 GLY 58 1HA GLY 58 -15.741 8.075 -18.622 455 HA3 GLY 58 2HA GLY 58 -16.398 6.450 -18.553 456 H TYR 59 H TYR 59 -12.980 6.799 -19.073 457 HA TYR 59 HA TYR 59 -12.435 6.350 -16.180 458 HB2 TYR 59 1HB TYR 59 -11.275 4.689 -18.455 459 HB3 TYR 59 2HB TYR 59 -10.818 4.565 -16.761 460 HD1 TYR 59 HD1 TYR 59 -13.361 3.784 -19.270 461 HD2 TYR 59 HD2 TYR 59 -12.335 3.587 -15.109 462 HE1 TYR 59 HE1 TYR 59 -15.154 2.123 -18.906 463 HE2 TYR 59 HE2 TYR 59 -14.129 1.926 -14.745 464 HH TYR 59 HH TYR 59 -16.194 0.832 -17.427 465 H GLY 60 H GLY 60 -10.205 6.697 -15.559 466 HA2 GLY 60 1HA GLY 60 -8.261 7.802 -17.352 467 HA3 GLY 60 2HA GLY 60 -9.113 9.115 -16.561 468 H PHE 61 H PHE 61 -6.636 9.232 -15.938 469 HA PHE 61 HA PHE 61 -6.344 7.839 -13.310 470 HB2 PHE 61 1HB PHE 61 -4.174 8.444 -15.358 471 HB3 PHE 61 2HB PHE 61 -3.870 7.857 -13.731 472 HD1 PHE 61 HD1 PHE 61 -5.257 7.001 -17.030 473 HD2 PHE 61 HD2 PHE 61 -4.258 5.565 -13.132 474 HE1 PHE 61 HE1 PHE 61 -5.503 4.674 -17.826 475 HE2 PHE 61 HE2 PHE 61 -4.500 3.236 -13.925 476 HZ PHE 61 HZ PHE 61 -5.125 2.791 -16.273 477 H CYS 62 H CYS 62 -5.482 8.987 -11.620 478 HA CYS 62 HA CYS 62 -4.958 11.881 -12.146 479 HB2 CYS 62 1HB CYS 62 -7.193 11.572 -11.106 480 HB3 CYS 62 2HB CYS 62 -6.452 10.699 -9.772 481 HG CYS 62 HG CYS 62 -5.938 13.802 -10.714 482 H GLU 63 H GLU 63 -2.855 12.165 -11.836 483 HA GLU 63 HA GLU 63 -1.446 10.480 -9.858 484 HB2 GLU 63 1HB GLU 63 -0.503 10.767 -12.146 485 HB3 GLU 63 2HB GLU 63 -0.367 12.498 -11.869 486 HG2 GLU 63 1HG GLU 63 1.243 12.125 -10.082 487 HG3 GLU 63 2HG GLU 63 1.057 10.381 -10.244 488 H TYR 64 H TYR 64 -1.046 11.116 -7.875 489 HA TYR 64 HA TYR 64 -1.263 14.019 -7.257 490 HB2 TYR 64 1HB TYR 64 -1.454 11.531 -5.521 491 HB3 TYR 64 2HB TYR 64 -1.357 13.154 -4.852 492 HD1 TYR 64 HD1 TYR 64 -3.425 10.813 -6.806 493 HD2 TYR 64 HD2 TYR 64 -3.217 14.674 -4.948 494 HE1 TYR 64 HE1 TYR 64 -5.874 11.055 -7.036 495 HE2 TYR 64 HE2 TYR 64 -5.666 14.917 -5.177 496 HH TYR 64 HH TYR 64 -7.541 14.010 -5.938 497 H GLN 65 H GLN 65 0.217 14.999 -5.774 498 HA GLN 65 HA GLN 65 2.924 14.570 -6.530 499 HB2 GLN 65 1HB GLN 65 2.037 16.735 -5.691 500 HB3 GLN 65 2HB GLN 65 1.830 16.033 -4.093 501 HG2 GLN 65 1HG GLN 65 3.823 17.327 -4.079 502 HG3 GLN 65 2HG GLN 65 4.298 15.605 -4.030 503 HE21 GLN 65 1HE2 GLN 65 6.513 16.066 -6.648 504 HE22 GLN 65 2HE2 GLN 65 6.158 15.397 -5.090 505 H ASP 66 H ASP 66 1.181 13.709 -3.535 506 HA ASP 66 HA ASP 66 3.515 11.983 -2.823 507 HB2 ASP 66 1HB ASP 66 1.486 13.365 -1.022 508 HB3 ASP 66 2HB ASP 66 2.674 12.199 -0.456 509 H GLN 67 H GLN 67 3.177 9.909 -2.093 510 HA GLN 67 HA GLN 67 0.875 8.544 -3.126 511 HB2 GLN 67 1HB GLN 67 3.048 7.673 -1.184 512 HB3 GLN 67 2HB GLN 67 1.801 6.591 -1.790 513 HG2 GLN 67 1HG GLN 67 2.582 6.879 -4.064 514 HG3 GLN 67 2HG GLN 67 3.782 8.086 -3.521 515 HE21 GLN 67 1HE2 GLN 67 5.869 5.195 -3.797 516 HE22 GLN 67 2HE2 GLN 67 5.204 6.506 -4.714 517 H GLU 68 H GLU 68 1.704 9.844 0.041 518 HA GLU 68 HA GLU 68 -0.391 8.547 1.501 519 HB2 GLU 68 1HB GLU 68 1.112 11.147 1.982 520 HB3 GLU 68 2HB GLU 68 -0.049 10.479 3.121 521 HG2 GLU 68 1HG GLU 68 1.316 8.469 3.376 522 HG3 GLU 68 2HG GLU 68 2.460 9.073 2.180 523 H THR 69 H THR 69 -0.236 11.571 -0.340 524 HA THR 69 HA THR 69 -2.915 12.397 0.423 525 HB THR 69 HB THR 69 -2.650 14.110 -1.353 526 HG1 THR 69 HG1 THR 69 -0.738 12.332 -2.195 527 HG21 THR 69 1HG2 THR 69 -0.678 15.249 -0.412 528 HG22 THR 69 2HG2 THR 69 -1.660 14.510 0.875 529 HG23 THR 69 3HG2 THR 69 -0.154 13.726 0.344 530 H ALA 70 H ALA 70 -1.498 10.477 -2.154 531 HA ALA 70 HA ALA 70 -3.855 10.326 -3.781 532 HB1 ALA 70 1HB ALA 70 -2.792 8.307 -4.736 533 HB2 ALA 70 2HB ALA 70 -1.644 9.661 -4.615 534 HB3 ALA 70 3HB ALA 70 -1.584 8.335 -3.431 535 H LEU 71 H LEU 71 -2.657 8.379 -1.059 536 HA LEU 71 HA LEU 71 -4.727 6.426 -1.103 537 HB2 LEU 71 1HB LEU 71 -2.696 6.133 0.211 538 HB3 LEU 71 2HB LEU 71 -3.092 7.539 1.203 539 HG LEU 71 HG LEU 71 -5.076 6.324 2.089 540 HD11 LEU 71 1HD1 LEU 71 -5.285 3.919 1.645 541 HD12 LEU 71 2HD1 LEU 71 -5.480 4.881 0.161 542 HD13 LEU 71 3HD1 LEU 71 -3.953 4.020 0.469 543 HD21 LEU 71 1HD2 LEU 71 -3.772 4.742 3.470 544 HD22 LEU 71 2HD2 LEU 71 -2.417 4.855 2.321 545 HD23 LEU 71 3HD2 LEU 71 -2.903 6.282 3.267 546 H SER 72 H SER 72 -4.437 9.454 0.786 547 HA SER 72 HA SER 72 -7.010 9.276 1.999 548 HB2 SER 72 1HB SER 72 -5.281 11.678 1.327 549 HB3 SER 72 2HB SER 72 -6.735 11.759 2.310 550 HG SER 72 HG SER 72 -4.253 10.758 2.867 551 H ALA 73 H ALA 73 -5.912 10.822 -1.018 552 HA ALA 73 HA ALA 73 -8.387 11.977 -1.758 553 HB1 ALA 73 1HB ALA 73 -7.503 11.913 -4.067 554 HB2 ALA 73 2HB ALA 73 -6.280 12.485 -2.908 555 HB3 ALA 73 3HB ALA 73 -6.205 10.821 -3.531 556 H MET 74 H MET 74 -7.062 8.741 -2.467 557 HA MET 74 HA MET 74 -9.210 7.774 -4.014 558 HB2 MET 74 1HB MET 74 -7.076 6.569 -3.725 559 HB3 MET 74 2HB MET 74 -7.450 6.274 -2.033 560 HG2 MET 74 1HG MET 74 -9.315 5.297 -4.186 561 HG3 MET 74 2HG MET 74 -7.846 4.401 -3.789 562 HE1 MET 74 1HE MET 74 -8.397 3.309 -0.115 563 HE2 MET 74 2HE MET 74 -7.421 3.111 -1.592 564 HE3 MET 74 3HE MET 74 -7.437 4.673 -0.737 565 H ARG 75 H ARG 75 -8.793 7.764 -0.474 566 HA ARG 75 HA ARG 75 -11.216 6.274 0.000 567 HB2 ARG 75 1HB ARG 75 -9.524 8.017 1.821 568 HB3 ARG 75 2HB ARG 75 -10.893 7.064 2.374 569 HG2 ARG 75 1HG ARG 75 -9.761 5.003 1.664 570 HG3 ARG 75 2HG ARG 75 -8.376 5.965 1.095 571 HD2 ARG 75 1HD ARG 75 -9.410 5.976 3.918 572 HD3 ARG 75 2HD ARG 75 -8.078 4.954 3.329 573 HE ARG 75 HE ARG 75 -7.398 7.530 2.591 574 HH11 ARG 75 1HH1 ARG 75 -8.135 5.871 5.599 575 HH12 ARG 75 2HH1 ARG 75 -7.101 6.899 6.565 576 HH21 ARG 75 1HH2 ARG 75 -6.059 8.858 3.856 577 HH22 ARG 75 2HH2 ARG 75 -5.925 8.590 5.580 578 H ASN 76 H ASN 76 -10.486 9.636 -0.524 579 HA ASN 76 HA ASN 76 -13.031 10.528 0.670 580 HB2 ASN 76 1HB ASN 76 -10.728 11.989 -0.653 581 HB3 ASN 76 2HB ASN 76 -12.211 12.794 -0.159 582 HD21 ASN 76 1HD2 ASN 76 -9.579 12.977 2.509 583 HD22 ASN 76 2HD2 ASN 76 -9.583 13.317 0.811 584 H LEU 77 H LEU 77 -11.623 9.928 -2.490 585 HA LEU 77 HA LEU 77 -13.829 11.349 -3.834 586 HB2 LEU 77 1HB LEU 77 -11.413 9.858 -4.919 587 HB3 LEU 77 2HB LEU 77 -12.592 10.720 -5.912 588 HG LEU 77 HG LEU 77 -10.796 12.007 -3.825 589 HD11 LEU 77 1HD1 LEU 77 -9.596 12.912 -5.765 590 HD12 LEU 77 2HD1 LEU 77 -9.533 11.134 -5.724 591 HD13 LEU 77 3HD1 LEU 77 -10.635 11.961 -6.852 592 HD21 LEU 77 1HD2 LEU 77 -11.604 14.107 -4.848 593 HD22 LEU 77 2HD2 LEU 77 -12.672 13.173 -5.923 594 HD23 LEU 77 3HD2 LEU 77 -12.953 13.167 -4.166 595 H ASN 78 H ASN 78 -12.734 8.073 -3.177 596 HA ASN 78 HA ASN 78 -14.390 6.775 -5.134 597 HB2 ASN 78 1HB ASN 78 -12.404 5.740 -4.028 598 HB3 ASN 78 2HB ASN 78 -13.311 5.663 -2.524 599 HD21 ASN 78 1HD2 ASN 78 -14.383 2.487 -3.361 600 HD22 ASN 78 2HD2 ASN 78 -13.627 3.553 -2.225 601 H GLY 79 H GLY 79 -16.494 6.991 -5.227 602 HA2 GLY 79 1HA GLY 79 -18.642 6.240 -4.460 603 HA3 GLY 79 2HA GLY 79 -18.061 6.271 -2.806 604 H ARG 80 H ARG 80 -16.859 9.031 -4.101 605 HA ARG 80 HA ARG 80 -18.868 10.704 -2.825 606 HB2 ARG 80 1HB ARG 80 -16.488 11.296 -2.739 607 HB3 ARG 80 2HB ARG 80 -16.429 11.416 -4.491 608 HG2 ARG 80 1HG ARG 80 -17.933 13.330 -4.450 609 HG3 ARG 80 2HG ARG 80 -18.101 13.182 -2.684 610 HD2 ARG 80 1HD ARG 80 -15.801 13.683 -2.362 611 HD3 ARG 80 2HD ARG 80 -15.493 13.629 -4.113 612 HE ARG 80 HE ARG 80 -17.519 15.551 -3.466 613 HH11 ARG 80 1HH1 ARG 80 -14.048 15.014 -3.422 614 HH12 ARG 80 2HH1 ARG 80 -13.657 16.715 -3.539 615 HH21 ARG 80 1HH2 ARG 80 -16.999 17.756 -3.618 616 HH22 ARG 80 2HH2 ARG 80 -15.326 18.268 -3.650 617 H GLU 81 H GLU 81 -20.390 11.991 -3.713 618 HA GLU 81 HA GLU 81 -21.091 11.464 -6.518 619 HB2 GLU 81 1HB GLU 81 -22.844 11.513 -4.761 620 HB3 GLU 81 2HB GLU 81 -22.453 13.191 -4.411 621 HG2 GLU 81 1HG GLU 81 -23.130 13.826 -6.692 622 HG3 GLU 81 2HG GLU 81 -23.525 12.145 -7.040 623 H PHE 82 H PHE 82 -20.704 12.723 -8.199 624 HA PHE 82 HA PHE 82 -19.718 15.492 -7.648 625 HB2 PHE 82 1HB PHE 82 -18.913 13.625 -9.915 626 HB3 PHE 82 2HB PHE 82 -18.351 15.275 -9.705 627 HD1 PHE 82 HD1 PHE 82 -18.209 11.854 -8.348 628 HD2 PHE 82 HD2 PHE 82 -16.656 15.826 -8.107 629 HE1 PHE 82 HE1 PHE 82 -16.344 11.038 -6.945 630 HE2 PHE 82 HE2 PHE 82 -14.788 15.014 -6.706 631 HZ PHE 82 HZ PHE 82 -14.634 12.618 -6.124 632 H SER 83 H SER 83 -21.638 16.560 -7.896 633 HA SER 83 HA SER 83 -23.370 17.574 -9.023 634 HB2 SER 83 1HB SER 83 -21.651 16.918 -11.439 635 HB3 SER 83 2HB SER 83 -22.998 18.047 -11.427 636 HG SER 83 HG SER 83 -21.502 19.378 -10.943 637 H GLY 84 H GLY 84 -23.660 14.793 -8.437 638 HA2 GLY 84 1HA GLY 84 -25.841 13.749 -8.841 639 HA3 GLY 84 2HA GLY 84 -25.699 14.175 -10.536 640 H ARG 85 H ARG 85 -22.826 13.416 -10.638 641 HA ARG 85 HA ARG 85 -23.313 10.487 -10.913 642 HB2 ARG 85 1HB ARG 85 -22.803 11.704 -12.999 643 HB3 ARG 85 2HB ARG 85 -21.295 12.281 -12.307 644 HG2 ARG 85 1HG ARG 85 -20.747 10.484 -13.738 645 HG3 ARG 85 2HG ARG 85 -20.592 9.858 -12.078 646 HD2 ARG 85 1HD ARG 85 -22.768 8.826 -12.247 647 HD3 ARG 85 2HD ARG 85 -22.969 9.486 -13.886 648 HE ARG 85 HE ARG 85 -20.561 7.992 -13.757 649 HH11 ARG 85 1HH1 ARG 85 -24.045 7.550 -13.727 650 HH12 ARG 85 2HH1 ARG 85 -23.974 5.950 -14.429 651 HH21 ARG 85 1HH2 ARG 85 -20.481 5.914 -14.669 652 HH22 ARG 85 2HH2 ARG 85 -21.957 5.023 -14.963 653 H ALA 86 H ALA 86 -22.470 9.281 -9.369 654 HA ALA 86 HA ALA 86 -20.139 10.155 -7.846 655 HB1 ALA 86 1HB ALA 86 -20.375 7.974 -6.702 656 HB2 ALA 86 2HB ALA 86 -21.918 8.860 -6.759 657 HB3 ALA 86 3HB ALA 86 -21.628 7.504 -7.873 658 H LEU 87 H LEU 87 -18.089 9.320 -7.852 659 HA LEU 87 HA LEU 87 -17.406 7.787 -10.323 660 HB2 LEU 87 1HB LEU 87 -15.699 9.734 -8.731 661 HB3 LEU 87 2HB LEU 87 -15.187 8.860 -10.179 662 HG LEU 87 HG LEU 87 -17.366 10.975 -10.056 663 HD11 LEU 87 1HD1 LEU 87 -15.764 12.317 -11.343 664 HD12 LEU 87 2HD1 LEU 87 -15.118 11.876 -9.745 665 HD13 LEU 87 3HD1 LEU 87 -14.559 11.016 -11.199 666 HD21 LEU 87 1HD2 LEU 87 -17.343 10.761 -12.519 667 HD22 LEU 87 2HD2 LEU 87 -16.160 9.437 -12.393 668 HD23 LEU 87 3HD2 LEU 87 -17.804 9.224 -11.747 669 H ARG 88 H ARG 88 -15.910 6.128 -10.233 670 HA ARG 88 HA ARG 88 -15.442 5.043 -7.501 671 HB2 ARG 88 1HB ARG 88 -16.570 3.534 -9.066 672 HB3 ARG 88 2HB ARG 88 -15.269 3.724 -10.232 673 HG2 ARG 88 1HG ARG 88 -13.726 2.547 -8.831 674 HG3 ARG 88 2HG ARG 88 -14.877 2.546 -7.473 675 HD2 ARG 88 1HD ARG 88 -14.837 0.399 -8.551 676 HD3 ARG 88 2HD ARG 88 -16.411 1.188 -8.805 677 HE ARG 88 HE ARG 88 -15.940 1.412 -11.070 678 HH11 ARG 88 1HH1 ARG 88 -13.167 0.121 -9.342 679 HH12 ARG 88 2HH1 ARG 88 -12.333 -0.376 -10.797 680 HH21 ARG 88 1HH2 ARG 88 -14.848 0.763 -12.952 681 HH22 ARG 88 2HH2 ARG 88 -13.284 -0.013 -12.841 682 H VAL 89 H VAL 89 -13.498 5.080 -6.611 683 HA VAL 89 HA VAL 89 -11.166 5.641 -8.392 684 HB VAL 89 HB VAL 89 -11.732 6.930 -5.687 685 HG11 VAL 89 1HG1 VAL 89 -9.764 8.300 -6.177 686 HG12 VAL 89 2HG1 VAL 89 -9.361 6.570 -6.069 687 HG13 VAL 89 3HG1 VAL 89 -9.479 7.359 -7.660 688 HG21 VAL 89 1HG2 VAL 89 -11.994 9.010 -7.002 689 HG22 VAL 89 2HG2 VAL 89 -11.781 8.084 -8.507 690 HG23 VAL 89 3HG2 VAL 89 -13.202 7.793 -7.475 691 H ASP 90 H ASP 90 -9.495 4.330 -8.111 692 HA ASP 90 HA ASP 90 -8.787 3.425 -5.416 693 HB2 ASP 90 1HB ASP 90 -10.460 1.721 -6.517 694 HB3 ASP 90 2HB ASP 90 -9.080 1.261 -7.505 695 H ASN 91 H ASN 91 -6.693 2.292 -5.372 696 HA ASN 91 HA ASN 91 -4.837 3.982 -6.694 697 HB2 ASN 91 1HB ASN 91 -4.530 2.684 -4.516 698 HB3 ASN 91 2HB ASN 91 -4.192 1.271 -5.506 699 HD21 ASN 91 1HD2 ASN 91 -1.286 3.830 -4.681 700 HD22 ASN 91 2HD2 ASN 91 -2.805 3.735 -3.855 701 H ALA 92 H ALA 92 -3.742 3.917 -8.529 702 HA ALA 92 HA ALA 92 -4.838 2.287 -10.602 703 HB1 ALA 92 1HB ALA 92 -3.117 3.334 -12.037 704 HB2 ALA 92 2HB ALA 92 -3.951 4.536 -11.023 705 HB3 ALA 92 3HB ALA 92 -2.317 3.985 -10.588 706 H ALA 93 H ALA 93 -2.215 1.802 -8.409 707 HA ALA 93 HA ALA 93 -0.743 -0.002 -10.163 708 HB1 ALA 93 1HB ALA 93 0.683 -0.376 -8.177 709 HB2 ALA 93 2HB ALA 93 0.441 1.358 -8.498 710 HB3 ALA 93 3HB ALA 93 -0.462 0.560 -7.189 711 H SER 94 H SER 94 -3.509 -0.281 -8.260 712 HA SER 94 HA SER 94 -3.129 -2.908 -7.170 713 HB2 SER 94 1HB SER 94 -4.839 -1.418 -6.301 714 HB3 SER 94 2HB SER 94 -5.638 -1.350 -7.864 715 HG SER 94 HG SER 94 -6.391 -2.860 -6.160 716 H GLU 95 H GLU 95 -3.537 -4.903 -7.929 717 HA GLU 95 HA GLU 95 -3.548 -5.326 -10.759 718 HB2 GLU 95 1HB GLU 95 -4.113 -7.199 -8.429 719 HB3 GLU 95 2HB GLU 95 -4.018 -7.736 -10.101 720 HG2 GLU 95 1HG GLU 95 -1.696 -6.965 -10.235 721 HG3 GLU 95 2HG GLU 95 -1.785 -6.379 -8.575 722 H LYS 96 H LYS 96 -6.088 -4.905 -8.423 723 HA LYS 96 HA LYS 96 -8.218 -6.122 -9.895 724 HB2 LYS 96 1HB LYS 96 -8.183 -3.863 -7.860 725 HB3 LYS 96 2HB LYS 96 -9.666 -4.523 -8.535 726 HG2 LYS 96 1HG LYS 96 -9.105 -6.743 -7.619 727 HG3 LYS 96 2HG LYS 96 -7.610 -6.082 -6.943 728 HD2 LYS 96 1HD LYS 96 -8.927 -4.493 -5.577 729 HD3 LYS 96 2HD LYS 96 -10.423 -5.154 -6.254 730 HE2 LYS 96 1HE LYS 96 -9.889 -7.366 -5.303 731 HE3 LYS 96 2HE LYS 96 -8.376 -6.732 -4.651 732 HZ1 LYS 96 1HZ LYS 96 -10.097 -6.779 -3.000 733 HZ2 LYS 96 2HZ LYS 96 -9.659 -5.217 -3.303 734 HZ3 LYS 96 3HZ LYS 96 -11.073 -5.811 -3.911 735 H ASN 97 H ASN 97 -6.604 -3.019 -10.159 736 HA ASN 97 HA ASN 97 -8.584 -2.038 -12.106 737 HB2 ASN 97 1HB ASN 97 -5.985 -0.903 -11.037 738 HB3 ASN 97 2HB ASN 97 -6.921 -0.125 -12.306 739 HD21 ASN 97 1HD2 ASN 97 -7.788 1.138 -8.852 740 HD22 ASN 97 2HD2 ASN 97 -6.276 0.832 -9.639 741 H LYS 98 H LYS 98 -5.362 -3.463 -12.065 742 HA LYS 98 HA LYS 98 -4.631 -2.984 -14.749 743 HB2 LYS 98 1HB LYS 98 -4.040 -5.313 -12.890 744 HB3 LYS 98 2HB LYS 98 -3.334 -5.180 -14.494 745 HG2 LYS 98 1HG LYS 98 -2.295 -3.028 -13.858 746 HG3 LYS 98 2HG LYS 98 -2.993 -3.182 -12.239 747 HD2 LYS 98 1HD LYS 98 -1.731 -5.233 -11.840 748 HD3 LYS 98 2HD LYS 98 -1.113 -5.213 -13.498 749 HE2 LYS 98 1HE LYS 98 0.024 -3.056 -13.036 750 HE3 LYS 98 2HE LYS 98 -0.574 -3.102 -11.376 751 HZ1 LYS 98 1HZ LYS 98 1.661 -3.920 -11.532 752 HZ2 LYS 98 2HZ LYS 98 0.656 -5.136 -11.051 753 HZ3 LYS 98 3HZ LYS 98 1.216 -5.093 -12.602 754 H GLU 99 H GLU 99 -6.598 -5.606 -13.356 755 HA GLU 99 HA GLU 99 -6.881 -7.036 -15.831 756 HB2 GLU 99 1HB GLU 99 -8.533 -7.041 -13.276 757 HB3 GLU 99 2HB GLU 99 -8.835 -8.128 -14.624 758 HG2 GLU 99 1HG GLU 99 -6.283 -7.976 -13.004 759 HG3 GLU 99 2HG GLU 99 -7.542 -9.199 -12.854 760 H GLU 100 H GLU 100 -8.754 -4.477 -14.259 761 HA GLU 100 HA GLU 100 -10.924 -4.499 -16.144 762 HB2 GLU 100 1HB GLU 100 -9.826 -2.330 -14.316 763 HB3 GLU 100 2HB GLU 100 -11.264 -2.118 -15.306 764 HG2 GLU 100 1HG GLU 100 -12.345 -3.999 -14.141 765 HG3 GLU 100 2HG GLU 100 -10.904 -4.209 -13.148 766 H LEU 101 H LEU 101 -7.819 -2.777 -16.007 767 HA LEU 101 HA LEU 101 -8.264 -1.137 -18.303 768 HB2 LEU 101 1HB LEU 101 -5.715 -2.207 -17.048 769 HB3 LEU 101 2HB LEU 101 -5.738 -1.036 -18.370 770 HG LEU 101 HG LEU 101 -6.983 -0.561 -15.639 771 HD11 LEU 101 1HD1 LEU 101 -5.032 0.872 -15.238 772 HD12 LEU 101 2HD1 LEU 101 -4.561 -0.827 -15.476 773 HD13 LEU 101 3HD1 LEU 101 -4.331 0.353 -16.789 774 HD21 LEU 101 1HD2 LEU 101 -7.049 1.782 -16.423 775 HD22 LEU 101 2HD2 LEU 101 -6.376 1.276 -17.992 776 HD23 LEU 101 3HD2 LEU 101 -7.993 0.721 -17.496 777 H LYS 102 H LYS 102 -7.096 -4.446 -17.904 778 HA LYS 102 HA LYS 102 -6.255 -4.879 -20.593 779 HB2 LYS 102 1HB LYS 102 -7.370 -6.762 -18.484 780 HB3 LYS 102 2HB LYS 102 -6.805 -7.318 -20.053 781 HG2 LYS 102 1HG LYS 102 -4.556 -6.482 -19.580 782 HG3 LYS 102 2HG LYS 102 -5.107 -5.825 -18.033 783 HD2 LYS 102 1HD LYS 102 -5.740 -8.129 -17.311 784 HD3 LYS 102 2HD LYS 102 -5.102 -8.758 -18.837 785 HE2 LYS 102 1HE LYS 102 -2.866 -7.902 -18.281 786 HE3 LYS 102 2HE LYS 102 -3.486 -7.201 -16.784 787 HZ1 LYS 102 1HZ LYS 102 -2.427 -9.303 -16.401 788 HZ2 LYS 102 2HZ LYS 102 -4.033 -9.416 -16.042 789 HZ3 LYS 102 3HZ LYS 102 -3.453 -10.071 -17.440 790 H SER 103 H SER 103 -9.434 -5.200 -19.030 791 HA SER 103 HA SER 103 -10.712 -6.191 -21.440 792 HB2 SER 103 1HB SER 103 -12.763 -6.001 -20.198 793 HB3 SER 103 2HB SER 103 -11.530 -6.642 -19.123 794 HG SER 103 HG SER 103 -11.253 -4.180 -18.784 795 H LEU 104 H LEU 104 -10.067 -3.043 -20.047 796 HA LEU 104 HA LEU 104 -11.878 -1.623 -21.829 797 HB2 LEU 104 1HB LEU 104 -9.571 -0.721 -20.075 798 HB3 LEU 104 2HB LEU 104 -10.551 0.387 -21.040 799 HG LEU 104 HG LEU 104 -11.632 -1.397 -18.830 800 HD11 LEU 104 1HD1 LEU 104 -11.771 0.681 -17.531 801 HD12 LEU 104 2HD1 LEU 104 -10.091 0.286 -17.961 802 HD13 LEU 104 3HD1 LEU 104 -10.961 1.559 -18.849 803 HD21 LEU 104 1HD2 LEU 104 -13.637 0.027 -19.077 804 HD22 LEU 104 2HD2 LEU 104 -12.854 0.897 -20.418 805 HD23 LEU 104 3HD2 LEU 104 -13.266 -0.825 -20.595 806 H GLY 105 H GLY 105 -8.527 -2.670 -21.890 807 HA2 GLY 105 1HA GLY 105 -7.150 -2.865 -23.792 808 HA3 GLY 105 2HA GLY 105 -8.342 -1.998 -24.742 809 H THR 106 H THR 106 -7.012 -0.890 -21.650 810 HA THR 106 HA THR 106 -6.292 1.667 -22.830 811 HB THR 106 HB THR 106 -5.780 0.559 -20.036 812 HG1 THR 106 HG1 THR 106 -7.570 2.189 -19.692 813 HG21 THR 106 1HG2 THR 106 -5.426 2.918 -19.418 814 HG22 THR 106 2HG2 THR 106 -4.233 2.393 -20.630 815 HG23 THR 106 3HG2 THR 106 -5.617 3.397 -21.120 Start of MODEL 8 1 H MET 1 1H MET 1 -0.334 -0.943 0.000 2 HA MET 1 HA MET 1 1.804 -0.488 0.911 3 HB2 MET 1 1HB MET 1 1.596 -1.793 -1.181 4 HB3 MET 1 2HB MET 1 1.628 -0.310 -2.124 5 HG2 MET 1 1HG MET 1 3.921 0.145 -1.333 6 HG3 MET 1 2HG MET 1 3.889 -1.346 -0.389 7 HE1 MET 1 1HE MET 1 3.874 -4.138 -3.067 8 HE2 MET 1 2HE MET 1 4.086 -3.733 -1.346 9 HE3 MET 1 3HE MET 1 2.508 -3.485 -2.132 10 H ALA 2 H ALA 2 2.790 1.131 1.844 11 HA ALA 2 HA ALA 2 2.671 3.823 0.715 12 HB1 ALA 2 1HB ALA 2 4.019 4.447 2.692 13 HB2 ALA 2 2HB ALA 2 2.584 3.498 3.146 14 HB3 ALA 2 3HB ALA 2 4.186 2.726 3.111 15 H GLY 3 H GLY 3 4.494 5.124 0.191 16 HA2 GLY 3 1HA GLY 3 6.582 3.559 -1.224 17 HA3 GLY 3 2HA GLY 3 6.215 5.256 -1.467 18 H LEU 4 H LEU 4 7.039 3.255 1.400 19 HA LEU 4 HA LEU 4 8.966 5.369 2.209 20 HB2 LEU 4 1HB LEU 4 7.791 3.042 3.771 21 HB3 LEU 4 2HB LEU 4 8.913 4.242 4.420 22 HG LEU 4 HG LEU 4 6.106 4.825 3.410 23 HD11 LEU 4 1HD1 LEU 4 5.594 5.169 5.786 24 HD12 LEU 4 2HD1 LEU 4 6.117 3.500 5.461 25 HD13 LEU 4 3HD1 LEU 4 7.242 4.654 6.216 26 HD21 LEU 4 1HD2 LEU 4 6.515 7.051 4.403 27 HD22 LEU 4 2HD2 LEU 4 8.177 6.563 4.814 28 HD23 LEU 4 3HD2 LEU 4 7.686 6.703 3.109 29 H THR 5 H THR 5 8.700 1.850 1.720 30 HA THR 5 HA THR 5 11.656 1.639 1.839 31 HB THR 5 HB THR 5 11.295 -0.798 1.713 32 HG1 THR 5 HG1 THR 5 9.509 -1.274 0.646 33 HG21 THR 5 1HG2 THR 5 10.092 -1.095 3.842 34 HG22 THR 5 2HG2 THR 5 11.192 0.302 3.922 35 HG23 THR 5 3HG2 THR 5 9.444 0.556 3.711 36 H VAL 6 H VAL 6 9.215 2.207 -0.411 37 HA VAL 6 HA VAL 6 10.351 0.767 -2.654 38 HB VAL 6 HB VAL 6 8.419 3.122 -2.541 39 HG11 VAL 6 1HG1 VAL 6 7.860 2.550 -4.854 40 HG12 VAL 6 2HG1 VAL 6 9.558 3.057 -4.684 41 HG13 VAL 6 3HG1 VAL 6 9.158 1.332 -4.865 42 HG21 VAL 6 1HG2 VAL 6 6.717 1.382 -2.987 43 HG22 VAL 6 2HG2 VAL 6 7.984 0.133 -2.934 44 HG23 VAL 6 3HG2 VAL 6 7.586 1.059 -1.468 45 H ARG 7 H ARG 7 11.845 1.362 -4.102 46 HA ARG 7 HA ARG 7 12.905 4.149 -3.911 47 HB2 ARG 7 1HB ARG 7 14.473 1.575 -4.279 48 HB3 ARG 7 2HB ARG 7 15.152 3.186 -4.452 49 HG2 ARG 7 1HG ARG 7 13.889 2.146 -1.905 50 HG3 ARG 7 2HG ARG 7 15.631 2.111 -2.269 51 HD2 ARG 7 1HD ARG 7 15.639 4.527 -2.475 52 HD3 ARG 7 2HD ARG 7 13.897 4.566 -2.118 53 HE ARG 7 HE ARG 7 16.092 4.048 -0.244 54 HH11 ARG 7 1HH1 ARG 7 12.629 4.094 -0.837 55 HH12 ARG 7 2HH1 ARG 7 12.212 4.147 0.861 56 HH21 ARG 7 1HH2 ARG 7 15.538 4.117 1.957 57 HH22 ARG 7 2HH2 ARG 7 13.858 4.160 2.443 58 H ASP 8 H ASP 8 11.984 1.420 -5.881 59 HA ASP 8 HA ASP 8 12.959 2.431 -8.389 60 HB2 ASP 8 1HB ASP 8 12.230 0.067 -7.996 61 HB3 ASP 8 2HB ASP 8 10.568 0.621 -7.856 62 HA PRO 9 HA PRO 9 10.328 5.968 -8.593 63 HB2 PRO 9 1HB PRO 9 11.263 5.726 -11.483 64 HB3 PRO 9 2HB PRO 9 11.165 7.170 -10.466 65 HG2 PRO 9 1HG PRO 9 13.548 6.049 -10.814 66 HG3 PRO 9 2HG PRO 9 13.090 6.576 -9.192 67 HD2 PRO 9 1HD PRO 9 13.059 3.775 -10.379 68 HD3 PRO 9 2HD PRO 9 13.584 4.311 -8.733 69 H ALA 10 H ALA 10 10.340 3.272 -10.919 70 HA ALA 10 HA ALA 10 7.855 3.906 -12.181 71 HB1 ALA 10 1HB ALA 10 7.922 1.571 -12.993 72 HB2 ALA 10 2HB ALA 10 9.493 2.383 -13.191 73 HB3 ALA 10 3HB ALA 10 9.252 1.225 -11.863 74 H VAL 11 H VAL 11 8.674 1.809 -9.426 75 HA VAL 11 HA VAL 11 5.986 0.871 -9.020 76 HB VAL 11 HB VAL 11 8.370 1.052 -7.130 77 HG11 VAL 11 1HG1 VAL 11 7.168 -0.539 -5.712 78 HG12 VAL 11 2HG1 VAL 11 6.307 1.013 -5.851 79 HG13 VAL 11 3HG1 VAL 11 5.743 -0.404 -6.770 80 HG21 VAL 11 1HG2 VAL 11 8.546 -1.371 -7.600 81 HG22 VAL 11 2HG2 VAL 11 7.166 -1.253 -8.718 82 HG23 VAL 11 3HG2 VAL 11 8.690 -0.414 -9.093 83 H ASP 12 H ASP 12 7.926 3.455 -7.487 84 HA ASP 12 HA ASP 12 5.974 4.312 -5.628 85 HB2 ASP 12 1HB ASP 12 8.372 5.039 -5.658 86 HB3 ASP 12 2HB ASP 12 8.035 6.026 -7.074 87 H ARG 13 H ARG 13 6.537 5.302 -9.003 88 HA ARG 13 HA ARG 13 4.554 7.325 -9.124 89 HB2 ARG 13 1HB ARG 13 6.283 6.886 -10.872 90 HB3 ARG 13 2HB ARG 13 5.413 5.433 -11.339 91 HG2 ARG 13 1HG ARG 13 3.452 6.821 -11.944 92 HG3 ARG 13 2HG ARG 13 4.393 8.276 -11.536 93 HD2 ARG 13 1HD ARG 13 5.119 6.225 -13.615 94 HD3 ARG 13 2HD ARG 13 4.400 7.824 -13.919 95 HE ARG 13 HE ARG 13 7.162 7.217 -13.261 96 HH11 ARG 13 1HH1 ARG 13 4.661 9.684 -13.298 97 HH12 ARG 13 2HH1 ARG 13 5.798 11.013 -13.331 98 HH21 ARG 13 1HH2 ARG 13 8.628 8.951 -13.304 99 HH22 ARG 13 2HH2 ARG 13 8.043 10.599 -13.335 100 H SER 14 H SER 14 4.347 3.817 -9.730 101 HA SER 14 HA SER 14 1.620 3.889 -10.632 102 HB2 SER 14 1HB SER 14 1.705 1.498 -10.512 103 HB3 SER 14 2HB SER 14 3.271 2.053 -11.083 104 HG SER 14 HG SER 14 3.730 2.049 -8.685 105 H LEU 15 H LEU 15 3.127 3.726 -7.476 106 HA LEU 15 HA LEU 15 0.710 2.939 -6.074 107 HB2 LEU 15 1HB LEU 15 3.314 4.196 -5.153 108 HB3 LEU 15 2HB LEU 15 2.007 3.748 -4.053 109 HG LEU 15 HG LEU 15 3.519 1.811 -5.841 110 HD11 LEU 15 1HD1 LEU 15 4.563 1.066 -3.748 111 HD12 LEU 15 2HD1 LEU 15 4.943 2.767 -4.103 112 HD13 LEU 15 3HD1 LEU 15 3.726 2.366 -2.868 113 HD21 LEU 15 1HD2 LEU 15 2.360 0.107 -4.477 114 HD22 LEU 15 2HD2 LEU 15 1.492 1.394 -3.606 115 HD23 LEU 15 3HD2 LEU 15 1.194 1.136 -5.342 116 H ARG 16 H ARG 16 2.341 6.009 -6.808 117 HA ARG 16 HA ARG 16 0.315 7.572 -5.395 118 HB2 ARG 16 1HB ARG 16 2.619 8.302 -7.222 119 HB3 ARG 16 2HB ARG 16 1.496 9.500 -6.598 120 HG2 ARG 16 1HG ARG 16 2.123 8.837 -4.284 121 HG3 ARG 16 2HG ARG 16 3.332 7.726 -4.973 122 HD2 ARG 16 1HD ARG 16 3.257 10.648 -5.642 123 HD3 ARG 16 2HD ARG 16 4.135 10.001 -4.237 124 HE ARG 16 HE ARG 16 5.585 8.816 -5.715 125 HH11 ARG 16 1HH1 ARG 16 3.342 10.981 -7.336 126 HH12 ARG 16 2HH1 ARG 16 4.279 11.049 -8.812 127 HH21 ARG 16 1HH2 ARG 16 6.792 8.912 -7.636 128 HH22 ARG 16 2HH2 ARG 16 6.232 9.878 -8.983 129 H SER 17 H SER 17 0.689 6.180 -8.529 130 HA SER 17 HA SER 17 -1.195 7.888 -9.904 131 HB2 SER 17 1HB SER 17 0.359 6.479 -11.140 132 HB3 SER 17 2HB SER 17 -0.306 5.030 -10.403 133 HG SER 17 HG SER 17 -1.050 5.711 -12.554 134 H VAL 18 H VAL 18 -3.338 7.918 -9.898 135 HA VAL 18 HA VAL 18 -4.712 5.793 -8.306 136 HB VAL 18 HB VAL 18 -5.479 8.724 -8.651 137 HG11 VAL 18 1HG1 VAL 18 -7.212 8.254 -6.989 138 HG12 VAL 18 2HG1 VAL 18 -7.434 7.295 -8.471 139 HG13 VAL 18 3HG1 VAL 18 -6.764 6.532 -7.009 140 HG21 VAL 18 1HG2 VAL 18 -4.931 8.886 -6.244 141 HG22 VAL 18 2HG2 VAL 18 -4.410 7.184 -6.250 142 HG23 VAL 18 3HG2 VAL 18 -3.510 8.394 -7.196 143 H PHE 19 H PHE 19 -6.263 4.654 -9.255 144 HA PHE 19 HA PHE 19 -6.994 5.338 -12.032 145 HB2 PHE 19 1HB PHE 19 -6.354 3.006 -11.444 146 HB3 PHE 19 2HB PHE 19 -7.711 2.916 -10.333 147 HD1 PHE 19 HD1 PHE 19 -7.074 3.829 -13.911 148 HD2 PHE 19 HD2 PHE 19 -9.610 1.874 -11.084 149 HE1 PHE 19 HE1 PHE 19 -8.529 3.056 -15.754 150 HE2 PHE 19 HE2 PHE 19 -11.066 1.096 -12.924 151 HZ PHE 19 HZ PHE 19 -10.525 1.690 -15.260 152 H VAL 20 H VAL 20 -8.717 6.479 -12.514 153 HA VAL 20 HA VAL 20 -10.955 6.535 -10.531 154 HB VAL 20 HB VAL 20 -10.099 8.679 -12.523 155 HG11 VAL 20 1HG1 VAL 20 -11.776 10.081 -11.422 156 HG12 VAL 20 2HG1 VAL 20 -12.505 8.657 -12.201 157 HG13 VAL 20 3HG1 VAL 20 -12.287 8.692 -10.435 158 HG21 VAL 20 1HG2 VAL 20 -9.478 9.953 -10.494 159 HG22 VAL 20 2HG2 VAL 20 -9.917 8.554 -9.485 160 HG23 VAL 20 3HG2 VAL 20 -8.547 8.441 -10.616 161 H GLY 21 H GLY 21 -12.713 5.514 -11.165 162 HA2 GLY 21 1HA GLY 21 -13.304 5.380 -14.101 163 HA3 GLY 21 2HA GLY 21 -13.760 4.139 -12.949 164 H ASN 22 H ASN 22 -15.845 4.751 -14.232 165 HA ASN 22 HA ASN 22 -17.957 5.667 -14.217 166 HB2 ASN 22 1HB ASN 22 -17.221 6.228 -11.325 167 HB3 ASN 22 2HB ASN 22 -18.838 6.397 -11.993 168 HD21 ASN 22 1HD2 ASN 22 -18.837 3.122 -10.449 169 HD22 ASN 22 2HD2 ASN 22 -18.832 4.795 -9.999 170 H ILE 23 H ILE 23 -15.972 7.284 -15.284 171 HA ILE 23 HA ILE 23 -16.616 10.011 -14.336 172 HB ILE 23 HB ILE 23 -14.744 9.029 -16.533 173 HG12 ILE 23 1HG1 ILE 23 -14.098 10.231 -13.833 174 HG13 ILE 23 2HG1 ILE 23 -14.107 8.507 -14.168 175 HG21 ILE 23 1HG2 ILE 23 -13.939 11.355 -16.596 176 HG22 ILE 23 2HG2 ILE 23 -15.658 11.261 -17.045 177 HG23 ILE 23 3HG2 ILE 23 -15.192 11.825 -15.423 178 HD11 ILE 23 1HD1 ILE 23 -11.851 9.407 -14.266 179 HD12 ILE 23 2HD1 ILE 23 -12.358 8.813 -15.866 180 HD13 ILE 23 3HD1 ILE 23 -12.347 10.560 -15.526 181 HA PRO 24 HA PRO 24 -20.044 10.278 -17.072 182 HB2 PRO 24 1HB PRO 24 -19.454 13.232 -16.647 183 HB3 PRO 24 2HB PRO 24 -21.004 12.385 -16.559 184 HG2 PRO 24 1HG PRO 24 -19.788 13.026 -14.281 185 HG3 PRO 24 2HG PRO 24 -20.520 11.426 -14.433 186 HD2 PRO 24 1HD PRO 24 -17.597 12.232 -14.699 187 HD3 PRO 24 2HD PRO 24 -18.312 10.795 -13.865 188 H TYR 25 H TYR 25 -20.273 10.597 -19.261 189 HA TYR 25 HA TYR 25 -17.855 10.995 -20.788 190 HB2 TYR 25 1HB TYR 25 -20.766 10.722 -21.633 191 HB3 TYR 25 2HB TYR 25 -19.422 10.802 -22.763 192 HD1 TYR 25 HD1 TYR 25 -17.899 9.175 -20.225 193 HD2 TYR 25 HD2 TYR 25 -21.093 8.546 -23.020 194 HE1 TYR 25 HE1 TYR 25 -17.590 6.730 -20.030 195 HE2 TYR 25 HE2 TYR 25 -20.783 6.102 -22.824 196 HH TYR 25 HH TYR 25 -18.217 4.730 -20.786 197 H GLU 26 H GLU 26 -20.473 13.058 -19.779 198 HA GLU 26 HA GLU 26 -19.810 15.171 -21.691 199 HB2 GLU 26 1HB GLU 26 -21.495 16.479 -20.527 200 HB3 GLU 26 2HB GLU 26 -22.121 14.861 -20.808 201 HG2 GLU 26 1HG GLU 26 -20.798 15.489 -18.192 202 HG3 GLU 26 2HG GLU 26 -22.437 16.059 -18.501 203 H ALA 27 H ALA 27 -18.404 14.011 -18.876 204 HA ALA 27 HA ALA 27 -17.581 16.580 -17.775 205 HB1 ALA 27 1HB ALA 27 -16.174 15.208 -16.272 206 HB2 ALA 27 2HB ALA 27 -17.855 14.625 -16.316 207 HB3 ALA 27 3HB ALA 27 -16.590 13.760 -17.218 208 H THR 28 H THR 28 -15.614 17.575 -17.874 209 HA THR 28 HA THR 28 -13.838 16.607 -20.070 210 HB THR 28 HB THR 28 -13.102 18.913 -20.354 211 HG1 THR 28 HG1 THR 28 -14.481 20.463 -18.961 212 HG21 THR 28 1HG2 THR 28 -15.221 19.969 -21.037 213 HG22 THR 28 2HG2 THR 28 -15.188 18.251 -21.502 214 HG23 THR 28 3HG2 THR 28 -16.130 18.772 -20.085 215 H GLU 29 H GLU 29 -11.519 17.189 -19.834 216 HA GLU 29 HA GLU 29 -10.480 16.201 -17.342 217 HB2 GLU 29 1HB GLU 29 -9.190 17.538 -19.745 218 HB3 GLU 29 2HB GLU 29 -8.258 17.027 -18.344 219 HG2 GLU 29 1HG GLU 29 -9.064 14.706 -18.686 220 HG3 GLU 29 2HG GLU 29 -9.925 15.240 -20.127 221 H GLU 30 H GLU 30 -11.088 19.415 -18.630 222 HA GLU 30 HA GLU 30 -9.633 20.908 -16.688 223 HB2 GLU 30 1HB GLU 30 -12.162 21.550 -18.250 224 HB3 GLU 30 2HB GLU 30 -11.350 22.715 -17.215 225 HG2 GLU 30 1HG GLU 30 -9.333 22.568 -18.582 226 HG3 GLU 30 2HG GLU 30 -10.084 21.334 -19.591 227 H GLN 31 H GLN 31 -12.945 19.602 -16.674 228 HA GLN 31 HA GLN 31 -13.590 20.601 -14.050 229 HB2 GLN 31 1HB GLN 31 -14.718 18.314 -15.707 230 HB3 GLN 31 2HB GLN 31 -15.369 18.777 -14.141 231 HG2 GLN 31 1HG GLN 31 -15.953 20.973 -14.966 232 HG3 GLN 31 2HG GLN 31 -15.176 20.616 -16.535 233 HE21 GLN 31 1HE2 GLN 31 -19.021 19.903 -16.156 234 HE22 GLN 31 2HE2 GLN 31 -18.079 21.060 -15.275 235 H LEU 32 H LEU 32 -12.217 17.551 -15.254 236 HA LEU 32 HA LEU 32 -12.124 16.219 -12.733 237 HB2 LEU 32 1HB LEU 32 -10.417 15.963 -15.229 238 HB3 LEU 32 2HB LEU 32 -10.258 14.893 -13.833 239 HG LEU 32 HG LEU 32 -12.781 15.207 -15.498 240 HD11 LEU 32 1HD1 LEU 32 -12.192 12.995 -16.386 241 HD12 LEU 32 2HD1 LEU 32 -10.957 14.213 -16.783 242 HD13 LEU 32 3HD1 LEU 32 -10.662 13.039 -15.479 243 HD21 LEU 32 1HD2 LEU 32 -13.495 13.197 -14.250 244 HD22 LEU 32 2HD2 LEU 32 -11.982 13.242 -13.311 245 HD23 LEU 32 3HD2 LEU 32 -13.172 14.555 -13.145 246 H LYS 33 H LYS 33 -9.925 18.495 -14.317 247 HA LYS 33 HA LYS 33 -7.728 18.304 -12.560 248 HB2 LYS 33 1HB LYS 33 -7.754 19.662 -14.642 249 HB3 LYS 33 2HB LYS 33 -8.859 20.801 -13.887 250 HG2 LYS 33 1HG LYS 33 -7.153 21.390 -12.223 251 HG3 LYS 33 2HG LYS 33 -6.042 20.210 -12.933 252 HD2 LYS 33 1HD LYS 33 -6.074 21.441 -15.067 253 HD3 LYS 33 2HD LYS 33 -7.222 22.605 -14.390 254 HE2 LYS 33 1HE LYS 33 -5.556 23.254 -12.681 255 HE3 LYS 33 2HE LYS 33 -4.409 22.094 -13.355 256 HZ1 LYS 33 1HZ LYS 33 -4.006 24.302 -14.161 257 HZ2 LYS 33 2HZ LYS 33 -4.459 23.327 -15.413 258 HZ3 LYS 33 3HZ LYS 33 -5.530 24.412 -14.782 259 H ASP 34 H ASP 34 -10.593 20.437 -12.306 260 HA ASP 34 HA ASP 34 -9.940 21.505 -9.753 261 HB2 ASP 34 1HB ASP 34 -12.599 21.075 -11.160 262 HB3 ASP 34 2HB ASP 34 -12.475 21.867 -9.595 263 H ILE 35 H ILE 35 -11.807 18.620 -10.688 264 HA ILE 35 HA ILE 35 -12.686 17.939 -8.069 265 HB ILE 35 HB ILE 35 -12.209 16.250 -10.553 266 HG12 ILE 35 1HG1 ILE 35 -14.796 17.101 -9.242 267 HG13 ILE 35 2HG1 ILE 35 -14.014 18.018 -10.520 268 HG21 ILE 35 1HG2 ILE 35 -13.472 14.471 -9.413 269 HG22 ILE 35 2HG2 ILE 35 -11.957 14.831 -8.553 270 HG23 ILE 35 3HG2 ILE 35 -13.504 15.443 -7.923 271 HD11 ILE 35 1HD1 ILE 35 -15.772 16.594 -11.411 272 HD12 ILE 35 2HD1 ILE 35 -14.181 16.084 -12.027 273 HD13 ILE 35 3HD1 ILE 35 -14.975 15.156 -10.733 274 H PHE 36 H PHE 36 -9.737 17.093 -9.866 275 HA PHE 36 HA PHE 36 -8.929 15.134 -7.864 276 HB2 PHE 36 1HB PHE 36 -7.495 16.322 -10.270 277 HB3 PHE 36 2HB PHE 36 -6.801 15.082 -9.239 278 HD1 PHE 36 HD1 PHE 36 -9.827 13.918 -8.902 279 HD2 PHE 36 HD2 PHE 36 -7.154 14.710 -12.140 280 HE1 PHE 36 HE1 PHE 36 -10.943 12.171 -10.249 281 HE2 PHE 36 HE2 PHE 36 -8.270 12.966 -13.491 282 HZ PHE 36 HZ PHE 36 -10.164 11.695 -12.544 283 H SER 37 H SER 37 -7.906 18.413 -8.814 284 HA SER 37 HA SER 37 -5.737 18.546 -6.930 285 HB2 SER 37 1HB SER 37 -5.693 20.914 -7.450 286 HB3 SER 37 2HB SER 37 -5.922 19.994 -8.929 287 HG SER 37 HG SER 37 -8.005 20.532 -8.974 288 H GLU 38 H GLU 38 -9.180 19.109 -6.715 289 HA GLU 38 HA GLU 38 -9.277 20.718 -4.394 290 HB2 GLU 38 1HB GLU 38 -11.252 20.171 -5.791 291 HB3 GLU 38 2HB GLU 38 -11.180 18.499 -5.251 292 HG2 GLU 38 1HG GLU 38 -11.642 19.198 -2.952 293 HG3 GLU 38 2HG GLU 38 -11.657 20.887 -3.455 294 H VAL 39 H VAL 39 -8.574 17.302 -4.781 295 HA VAL 39 HA VAL 39 -8.913 16.917 -1.840 296 HB VAL 39 HB VAL 39 -9.133 14.500 -2.380 297 HG11 VAL 39 1HG1 VAL 39 -11.336 14.614 -3.438 298 HG12 VAL 39 2HG1 VAL 39 -11.127 15.872 -2.197 299 HG13 VAL 39 3HG1 VAL 39 -11.016 16.296 -3.922 300 HG21 VAL 39 1HG2 VAL 39 -9.383 13.818 -4.745 301 HG22 VAL 39 2HG2 VAL 39 -8.998 15.477 -5.263 302 HG23 VAL 39 3HG2 VAL 39 -7.766 14.492 -4.438 303 H GLY 40 H GLY 40 -6.526 17.929 -3.503 304 HA2 GLY 40 1HA GLY 40 -4.512 17.616 -1.849 305 HA3 GLY 40 2HA GLY 40 -4.523 15.974 -2.465 306 HA PRO 41 HA PRO 41 -2.196 19.230 -5.189 307 HB2 PRO 41 1HB PRO 41 0.147 17.771 -3.911 308 HB3 PRO 41 2HB PRO 41 0.041 19.456 -4.438 309 HG2 PRO 41 1HG PRO 41 -0.170 18.941 -1.839 310 HG3 PRO 41 2HG PRO 41 -1.279 20.107 -2.565 311 HD2 PRO 41 1HD PRO 41 -1.762 17.185 -1.859 312 HD3 PRO 41 2HD PRO 41 -2.844 18.612 -1.605 313 H VAL 42 H VAL 42 -1.865 18.517 -7.231 314 HA VAL 42 HA VAL 42 -1.461 15.578 -7.601 315 HB VAL 42 HB VAL 42 -3.822 16.227 -8.002 316 HG11 VAL 42 1HG1 VAL 42 -4.399 17.716 -9.856 317 HG12 VAL 42 2HG1 VAL 42 -3.477 18.558 -8.588 318 HG13 VAL 42 3HG1 VAL 42 -2.674 18.076 -10.103 319 HG21 VAL 42 1HG2 VAL 42 -4.004 15.305 -10.291 320 HG22 VAL 42 2HG2 VAL 42 -2.266 15.590 -10.542 321 HG23 VAL 42 3HG2 VAL 42 -2.808 14.407 -9.328 322 H VAL 43 H VAL 43 -0.189 14.908 -9.278 323 HA VAL 43 HA VAL 43 1.628 16.949 -10.354 324 HB VAL 43 HB VAL 43 1.569 13.915 -10.641 325 HG11 VAL 43 1HG1 VAL 43 3.829 14.126 -11.554 326 HG12 VAL 43 2HG1 VAL 43 2.618 14.925 -12.584 327 HG13 VAL 43 3HG1 VAL 43 3.672 15.899 -11.531 328 HG21 VAL 43 1HG2 VAL 43 3.499 14.020 -9.097 329 HG22 VAL 43 2HG2 VAL 43 3.324 15.788 -8.999 330 HG23 VAL 43 3HG2 VAL 43 2.045 14.729 -8.357 331 H SER 44 H SER 44 -0.342 14.293 -11.752 332 HA SER 44 HA SER 44 -1.222 15.914 -13.972 333 HB2 SER 44 1HB SER 44 1.097 15.619 -14.692 334 HB3 SER 44 2HB SER 44 0.971 13.879 -14.485 335 HG SER 44 HG SER 44 -0.399 13.750 -16.131 336 H PHE 45 H PHE 45 -2.705 14.860 -15.319 337 HA PHE 45 HA PHE 45 -3.356 12.048 -14.656 338 HB2 PHE 45 1HB PHE 45 -5.684 12.541 -14.162 339 HB3 PHE 45 2HB PHE 45 -4.659 13.443 -13.057 340 HD1 PHE 45 HD1 PHE 45 -7.052 13.652 -15.796 341 HD2 PHE 45 HD2 PHE 45 -4.407 15.876 -13.283 342 HE1 PHE 45 HE1 PHE 45 -8.192 15.746 -16.451 343 HE2 PHE 45 HE2 PHE 45 -5.547 17.971 -13.934 344 HZ PHE 45 HZ PHE 45 -7.439 17.905 -15.520 345 H ARG 46 H ARG 46 -4.899 11.082 -16.121 346 HA ARG 46 HA ARG 46 -5.258 12.563 -18.672 347 HB2 ARG 46 1HB ARG 46 -3.986 9.817 -18.416 348 HB3 ARG 46 2HB ARG 46 -4.518 10.531 -19.931 349 HG2 ARG 46 1HG ARG 46 -2.427 11.777 -18.132 350 HG3 ARG 46 2HG ARG 46 -2.071 10.699 -19.504 351 HD2 ARG 46 1HD ARG 46 -3.255 12.261 -20.984 352 HD3 ARG 46 2HD ARG 46 -3.479 13.356 -19.600 353 HE ARG 46 HE ARG 46 -1.028 12.855 -21.094 354 HH11 ARG 46 1HH1 ARG 46 -2.455 14.126 -18.147 355 HH12 ARG 46 2HH1 ARG 46 -1.089 15.156 -17.781 356 HH21 ARG 46 1HH2 ARG 46 0.739 14.195 -20.609 357 HH22 ARG 46 2HH2 ARG 46 0.720 15.196 -19.174 358 H LEU 47 H LEU 47 -7.262 12.387 -19.384 359 HA LEU 47 HA LEU 47 -8.970 10.190 -18.385 360 HB2 LEU 47 1HB LEU 47 -9.902 12.441 -18.349 361 HB3 LEU 47 2HB LEU 47 -9.568 12.646 -20.071 362 HG LEU 47 HG LEU 47 -11.215 10.821 -20.558 363 HD11 LEU 47 1HD1 LEU 47 -12.733 10.122 -18.759 364 HD12 LEU 47 2HD1 LEU 47 -11.052 9.645 -18.424 365 HD13 LEU 47 3HD1 LEU 47 -11.765 11.043 -17.585 366 HD21 LEU 47 1HD2 LEU 47 -13.194 12.218 -20.062 367 HD22 LEU 47 2HD2 LEU 47 -12.233 13.170 -18.905 368 HD23 LEU 47 3HD2 LEU 47 -11.836 13.213 -20.639 369 H VAL 48 H VAL 48 -9.212 8.369 -19.450 370 HA VAL 48 HA VAL 48 -8.213 8.083 -22.172 371 HB VAL 48 HB VAL 48 -9.744 6.146 -20.383 372 HG11 VAL 48 1HG1 VAL 48 -8.943 4.406 -21.906 373 HG12 VAL 48 2HG1 VAL 48 -10.007 5.572 -22.727 374 HG13 VAL 48 3HG1 VAL 48 -8.245 5.655 -22.964 375 HG21 VAL 48 1HG2 VAL 48 -7.512 5.142 -20.017 376 HG22 VAL 48 2HG2 VAL 48 -6.776 6.419 -21.015 377 HG23 VAL 48 3HG2 VAL 48 -7.555 6.834 -19.469 378 H TYR 49 H TYR 49 -9.296 8.161 -24.029 379 HA TYR 49 HA TYR 49 -12.257 8.090 -23.988 380 HB2 TYR 49 1HB TYR 49 -12.503 10.208 -25.112 381 HB3 TYR 49 2HB TYR 49 -11.559 10.482 -23.654 382 HD1 TYR 49 HD1 TYR 49 -11.587 10.571 -27.287 383 HD2 TYR 49 HD2 TYR 49 -9.115 10.878 -23.794 384 HE1 TYR 49 HE1 TYR 49 -9.813 11.641 -28.635 385 HE2 TYR 49 HE2 TYR 49 -7.342 11.948 -25.142 386 HH TYR 49 HH TYR 49 -6.749 12.694 -27.143 387 H ASP 50 H ASP 50 -13.224 7.936 -26.103 388 HA ASP 50 HA ASP 50 -11.689 6.223 -27.868 389 HB2 ASP 50 1HB ASP 50 -14.155 5.993 -27.506 390 HB3 ASP 50 2HB ASP 50 -14.401 7.534 -28.317 391 H ARG 51 H ARG 51 -10.408 6.761 -29.482 392 HA ARG 51 HA ARG 51 -9.870 9.556 -29.969 393 HB2 ARG 51 1HB ARG 51 -8.860 7.017 -31.286 394 HB3 ARG 51 2HB ARG 51 -8.299 8.621 -31.730 395 HG2 ARG 51 1HG ARG 51 -7.439 8.976 -29.468 396 HG3 ARG 51 2HG ARG 51 -8.046 7.374 -28.981 397 HD2 ARG 51 1HD ARG 51 -6.606 6.331 -30.636 398 HD3 ARG 51 2HD ARG 51 -5.996 7.932 -31.113 399 HE ARG 51 HE ARG 51 -5.615 7.717 -28.356 400 HH11 ARG 51 1HH1 ARG 51 -4.526 6.083 -31.269 401 HH12 ARG 51 2HH1 ARG 51 -2.984 5.621 -30.584 402 HH21 ARG 51 1HH2 ARG 51 -3.611 7.110 -27.477 403 HH22 ARG 51 2HH2 ARG 51 -2.466 6.201 -28.437 404 H GLU 52 H GLU 52 -11.864 7.142 -31.491 405 HA GLU 52 HA GLU 52 -11.917 8.432 -34.098 406 HB2 GLU 52 1HB GLU 52 -12.277 5.995 -33.835 407 HB3 GLU 52 2HB GLU 52 -13.729 6.301 -32.892 408 HG2 GLU 52 1HG GLU 52 -14.369 5.706 -35.112 409 HG3 GLU 52 2HG GLU 52 -14.746 7.409 -34.864 410 H THR 53 H THR 53 -14.141 8.229 -31.315 411 HA THR 53 HA THR 53 -15.942 10.147 -32.706 412 HB THR 53 HB THR 53 -17.632 9.492 -31.019 413 HG1 THR 53 HG1 THR 53 -15.658 7.650 -30.087 414 HG21 THR 53 1HG2 THR 53 -17.933 7.153 -31.732 415 HG22 THR 53 2HG2 THR 53 -17.440 8.177 -33.102 416 HG23 THR 53 3HG2 THR 53 -16.253 7.110 -32.317 417 H GLY 54 H GLY 54 -13.852 9.772 -29.928 418 HA2 GLY 54 1HA GLY 54 -12.875 11.634 -28.789 419 HA3 GLY 54 2HA GLY 54 -14.182 12.661 -29.345 420 H LYS 55 H LYS 55 -15.623 9.846 -28.380 421 HA LYS 55 HA LYS 55 -16.654 11.103 -25.958 422 HB2 LYS 55 1HB LYS 55 -18.096 9.783 -27.512 423 HB3 LYS 55 2HB LYS 55 -17.186 8.334 -27.108 424 HG2 LYS 55 1HG LYS 55 -17.960 8.396 -24.823 425 HG3 LYS 55 2HG LYS 55 -18.715 9.976 -25.073 426 HD2 LYS 55 1HD LYS 55 -20.476 8.378 -25.213 427 HD3 LYS 55 2HD LYS 55 -20.143 8.879 -26.878 428 HE2 LYS 55 1HE LYS 55 -18.790 6.864 -27.242 429 HE3 LYS 55 2HE LYS 55 -19.027 6.374 -25.563 430 HZ1 LYS 55 1HZ LYS 55 -20.525 5.241 -27.033 431 HZ2 LYS 55 2HZ LYS 55 -21.380 6.207 -26.006 432 HZ3 LYS 55 3HZ LYS 55 -21.157 6.664 -27.575 433 HA PRO 56 HA PRO 56 -13.625 9.519 -23.209 434 HB2 PRO 56 1HB PRO 56 -15.949 9.912 -21.285 435 HB3 PRO 56 2HB PRO 56 -14.261 10.405 -21.103 436 HG2 PRO 56 1HG PRO 56 -16.043 12.259 -21.779 437 HG3 PRO 56 2HG PRO 56 -14.484 12.237 -22.610 438 HD2 PRO 56 1HD PRO 56 -17.176 11.171 -23.551 439 HD3 PRO 56 2HD PRO 56 -15.929 12.098 -24.479 440 H LYS 57 H LYS 57 -13.207 7.534 -22.260 441 HA LYS 57 HA LYS 57 -15.156 5.402 -22.722 442 HB2 LYS 57 1HB LYS 57 -12.375 5.380 -21.483 443 HB3 LYS 57 2HB LYS 57 -13.343 3.941 -21.770 444 HG2 LYS 57 1HG LYS 57 -12.408 5.854 -23.930 445 HG3 LYS 57 2HG LYS 57 -11.628 4.324 -23.507 446 HD2 LYS 57 1HD LYS 57 -13.793 3.148 -24.019 447 HD3 LYS 57 2HD LYS 57 -14.445 4.693 -24.586 448 HE2 LYS 57 1HE LYS 57 -12.612 4.830 -26.262 449 HE3 LYS 57 2HE LYS 57 -12.010 3.263 -25.716 450 HZ1 LYS 57 1HZ LYS 57 -13.388 3.053 -27.651 451 HZ2 LYS 57 2HZ LYS 57 -14.105 2.294 -26.373 452 HZ3 LYS 57 3HZ LYS 57 -14.667 3.758 -26.885 453 H GLY 58 H GLY 58 -14.075 7.363 -20.047 454 HA2 GLY 58 1HA GLY 58 -15.723 7.730 -18.279 455 HA3 GLY 58 2HA GLY 58 -16.199 6.046 -18.406 456 H TYR 59 H TYR 59 -12.821 6.537 -18.672 457 HA TYR 59 HA TYR 59 -12.300 6.487 -15.783 458 HB2 TYR 59 1HB TYR 59 -11.049 4.374 -15.829 459 HB3 TYR 59 2HB TYR 59 -12.735 4.106 -16.248 460 HD1 TYR 59 HD1 TYR 59 -9.282 4.175 -17.505 461 HD2 TYR 59 HD2 TYR 59 -13.394 3.425 -18.474 462 HE1 TYR 59 HE1 TYR 59 -8.585 3.039 -19.587 463 HE2 TYR 59 HE2 TYR 59 -12.697 2.289 -20.555 464 HH TYR 59 HH TYR 59 -9.265 1.839 -21.344 465 H GLY 60 H GLY 60 -10.009 6.584 -15.265 466 HA2 GLY 60 1HA GLY 60 -8.033 6.934 -17.344 467 HA3 GLY 60 2HA GLY 60 -8.571 8.491 -16.744 468 H PHE 61 H PHE 61 -6.234 8.586 -16.117 469 HA PHE 61 HA PHE 61 -5.838 7.311 -13.444 470 HB2 PHE 61 1HB PHE 61 -3.743 7.751 -15.610 471 HB3 PHE 61 2HB PHE 61 -3.403 7.189 -13.981 472 HD1 PHE 61 HD1 PHE 61 -4.857 6.313 -17.229 473 HD2 PHE 61 HD2 PHE 61 -3.962 4.939 -13.284 474 HE1 PHE 61 HE1 PHE 61 -5.236 3.981 -17.957 475 HE2 PHE 61 HE2 PHE 61 -4.337 2.605 -14.009 476 HZ PHE 61 HZ PHE 61 -4.977 2.127 -16.347 477 H CYS 62 H CYS 62 -4.683 8.488 -11.904 478 HA CYS 62 HA CYS 62 -3.986 11.285 -12.599 479 HB2 CYS 62 1HB CYS 62 -6.328 11.349 -11.785 480 HB3 CYS 62 2HB CYS 62 -5.841 10.531 -10.307 481 HG CYS 62 HG CYS 62 -3.945 12.479 -9.858 482 H GLU 63 H GLU 63 -1.937 11.471 -12.031 483 HA GLU 63 HA GLU 63 -0.917 9.920 -9.727 484 HB2 GLU 63 1HB GLU 63 0.384 9.890 -11.821 485 HB3 GLU 63 2HB GLU 63 0.514 11.642 -11.792 486 HG2 GLU 63 1HG GLU 63 1.800 11.504 -9.689 487 HG3 GLU 63 2HG GLU 63 1.688 9.746 -9.747 488 H TYR 64 H TYR 64 -0.716 10.732 -7.778 489 HA TYR 64 HA TYR 64 -0.868 13.688 -7.465 490 HB2 TYR 64 1HB TYR 64 -1.377 11.394 -5.535 491 HB3 TYR 64 2HB TYR 64 -1.295 13.074 -5.023 492 HD1 TYR 64 HD1 TYR 64 -3.180 10.637 -7.066 493 HD2 TYR 64 HD2 TYR 64 -3.090 14.596 -5.415 494 HE1 TYR 64 HE1 TYR 64 -5.571 10.925 -7.624 495 HE2 TYR 64 HE2 TYR 64 -5.480 14.884 -5.973 496 HH TYR 64 HH TYR 64 -7.292 13.950 -6.842 497 H GLN 65 H GLN 65 0.417 14.669 -5.713 498 HA GLN 65 HA GLN 65 3.161 14.208 -6.426 499 HB2 GLN 65 1HB GLN 65 1.873 15.987 -4.322 500 HB3 GLN 65 2HB GLN 65 3.600 15.975 -4.646 501 HG2 GLN 65 1HG GLN 65 3.186 16.662 -6.963 502 HG3 GLN 65 2HG GLN 65 1.430 16.672 -6.636 503 HE21 GLN 65 1HE2 GLN 65 2.482 20.160 -6.354 504 HE22 GLN 65 2HE2 GLN 65 2.292 18.955 -7.585 505 H ASP 66 H ASP 66 1.277 13.582 -3.471 506 HA ASP 66 HA ASP 66 3.650 12.110 -2.403 507 HB2 ASP 66 1HB ASP 66 1.361 13.456 -0.911 508 HB3 ASP 66 2HB ASP 66 2.617 12.489 -0.150 509 H GLN 67 H GLN 67 3.171 10.252 -1.016 510 HA GLN 67 HA GLN 67 1.327 8.480 -2.384 511 HB2 GLN 67 1HB GLN 67 2.965 8.072 0.151 512 HB3 GLN 67 2HB GLN 67 2.094 6.805 -0.701 513 HG2 GLN 67 1HG GLN 67 4.279 6.549 -1.423 514 HG3 GLN 67 2HG GLN 67 3.520 7.476 -2.748 515 HE21 GLN 67 1HE2 GLN 67 6.724 9.117 -2.211 516 HE22 GLN 67 2HE2 GLN 67 6.097 7.643 -2.873 517 H GLU 68 H GLU 68 1.436 9.999 0.837 518 HA GLU 68 HA GLU 68 -1.046 8.849 1.730 519 HB2 GLU 68 1HB GLU 68 0.490 11.321 2.615 520 HB3 GLU 68 2HB GLU 68 -0.962 10.744 3.420 521 HG2 GLU 68 1HG GLU 68 0.148 8.628 3.952 522 HG3 GLU 68 2HG GLU 68 1.596 9.160 3.101 523 H THR 69 H THR 69 -0.197 11.766 -0.067 524 HA THR 69 HA THR 69 -2.789 12.972 -0.028 525 HB THR 69 HB THR 69 -0.566 13.115 -2.109 526 HG1 THR 69 HG1 THR 69 -0.120 15.064 -1.030 527 HG21 THR 69 1HG2 THR 69 -1.717 15.141 -2.909 528 HG22 THR 69 2HG2 THR 69 -2.754 13.705 -3.093 529 HG23 THR 69 3HG2 THR 69 -3.043 14.847 -1.760 530 H ALA 70 H ALA 70 -1.266 10.681 -2.304 531 HA ALA 70 HA ALA 70 -3.483 10.422 -4.051 532 HB1 ALA 70 1HB ALA 70 -2.480 8.251 -4.680 533 HB2 ALA 70 2HB ALA 70 -1.256 9.539 -4.584 534 HB3 ALA 70 3HB ALA 70 -1.401 8.350 -3.269 535 H LEU 71 H LEU 71 -2.637 8.594 -1.107 536 HA LEU 71 HA LEU 71 -4.843 6.792 -1.244 537 HB2 LEU 71 1HB LEU 71 -3.192 7.801 1.094 538 HB3 LEU 71 2HB LEU 71 -4.417 6.537 1.244 539 HG LEU 71 HG LEU 71 -1.973 6.340 -0.550 540 HD11 LEU 71 1HD1 LEU 71 -1.081 4.847 1.182 541 HD12 LEU 71 2HD1 LEU 71 -1.326 6.497 1.799 542 HD13 LEU 71 3HD1 LEU 71 -2.483 5.210 2.216 543 HD21 LEU 71 1HD2 LEU 71 -2.599 3.950 -0.605 544 HD22 LEU 71 2HD2 LEU 71 -4.023 4.300 0.405 545 HD23 LEU 71 3HD2 LEU 71 -3.912 4.971 -1.240 546 H SER 72 H SER 72 -4.449 9.970 0.301 547 HA SER 72 HA SER 72 -7.010 10.038 1.563 548 HB2 SER 72 1HB SER 72 -5.248 12.280 0.521 549 HB3 SER 72 2HB SER 72 -6.668 12.520 1.527 550 HG SER 72 HG SER 72 -4.275 11.194 2.126 551 H ALA 73 H ALA 73 -5.903 11.081 -1.658 552 HA ALA 73 HA ALA 73 -8.365 12.228 -2.495 553 HB1 ALA 73 1HB ALA 73 -7.494 11.914 -4.788 554 HB2 ALA 73 2HB ALA 73 -6.256 12.584 -3.699 555 HB3 ALA 73 3HB ALA 73 -6.209 10.864 -4.148 556 H MET 74 H MET 74 -7.138 8.900 -2.678 557 HA MET 74 HA MET 74 -9.204 7.745 -4.191 558 HB2 MET 74 1HB MET 74 -7.612 6.627 -1.856 559 HB3 MET 74 2HB MET 74 -8.690 5.652 -2.844 560 HG2 MET 74 1HG MET 74 -7.340 6.072 -4.820 561 HG3 MET 74 2HG MET 74 -6.311 7.191 -3.923 562 HE1 MET 74 1HE MET 74 -3.572 4.613 -3.979 563 HE2 MET 74 2HE MET 74 -4.508 5.423 -5.259 564 HE3 MET 74 3HE MET 74 -3.989 6.336 -3.822 565 H ARG 75 H ARG 75 -9.068 8.247 -0.657 566 HA ARG 75 HA ARG 75 -11.673 7.102 -0.207 567 HB2 ARG 75 1HB ARG 75 -9.922 8.915 1.480 568 HB3 ARG 75 2HB ARG 75 -11.456 8.265 2.038 569 HG2 ARG 75 1HG ARG 75 -10.601 5.986 1.823 570 HG3 ARG 75 2HG ARG 75 -9.058 6.615 1.196 571 HD2 ARG 75 1HD ARG 75 -8.695 7.802 3.280 572 HD3 ARG 75 2HD ARG 75 -10.239 7.180 3.906 573 HE ARG 75 HE ARG 75 -8.739 4.965 3.095 574 HH11 ARG 75 1HH1 ARG 75 -8.503 7.556 5.456 575 HH12 ARG 75 2HH1 ARG 75 -7.581 6.601 6.597 576 HH21 ARG 75 1HH2 ARG 75 -7.543 3.737 4.583 577 HH22 ARG 75 2HH2 ARG 75 -7.037 4.439 6.104 578 H ASN 76 H ASN 76 -10.481 10.358 -0.863 579 HA ASN 76 HA ASN 76 -12.938 11.664 -0.032 580 HB2 ASN 76 1HB ASN 76 -10.501 12.594 -1.573 581 HB3 ASN 76 2HB ASN 76 -11.879 13.641 -1.262 582 HD21 ASN 76 1HD2 ASN 76 -9.259 14.046 1.376 583 HD22 ASN 76 2HD2 ASN 76 -9.243 14.091 -0.356 584 H LEU 77 H LEU 77 -11.680 10.371 -3.043 585 HA LEU 77 HA LEU 77 -13.778 11.754 -4.594 586 HB2 LEU 77 1HB LEU 77 -11.504 9.919 -5.427 587 HB3 LEU 77 2HB LEU 77 -12.641 10.675 -6.547 588 HG LEU 77 HG LEU 77 -10.705 12.166 -4.741 589 HD11 LEU 77 1HD1 LEU 77 -9.513 12.648 -6.832 590 HD12 LEU 77 2HD1 LEU 77 -9.570 10.902 -6.495 591 HD13 LEU 77 3HD1 LEU 77 -10.651 11.607 -7.720 592 HD21 LEU 77 1HD2 LEU 77 -11.403 14.121 -6.083 593 HD22 LEU 77 2HD2 LEU 77 -12.568 13.101 -6.962 594 HD23 LEU 77 3HD2 LEU 77 -12.788 13.408 -5.222 595 H ASN 78 H ASN 78 -12.856 8.504 -3.544 596 HA ASN 78 HA ASN 78 -14.704 7.084 -5.202 597 HB2 ASN 78 1HB ASN 78 -12.772 6.044 -4.034 598 HB3 ASN 78 2HB ASN 78 -13.579 6.298 -2.493 599 HD21 ASN 78 1HD2 ASN 78 -14.218 2.932 -4.362 600 HD22 ASN 78 2HD2 ASN 78 -12.831 3.961 -4.487 601 H GLY 79 H GLY 79 -16.800 7.275 -5.253 602 HA2 GLY 79 1HA GLY 79 -18.927 6.782 -4.184 603 HA3 GLY 79 2HA GLY 79 -18.277 7.360 -2.661 604 H ARG 80 H ARG 80 -17.008 9.584 -4.538 605 HA ARG 80 HA ARG 80 -18.985 11.581 -3.894 606 HB2 ARG 80 1HB ARG 80 -16.545 12.039 -4.005 607 HB3 ARG 80 2HB ARG 80 -16.578 11.764 -5.740 608 HG2 ARG 80 1HG ARG 80 -18.043 13.691 -6.052 609 HG3 ARG 80 2HG ARG 80 -18.092 13.952 -4.291 610 HD2 ARG 80 1HD ARG 80 -15.684 14.297 -4.285 611 HD3 ARG 80 2HD ARG 80 -15.650 14.058 -6.047 612 HE ARG 80 HE ARG 80 -17.522 16.070 -5.529 613 HH11 ARG 80 1HH1 ARG 80 -14.071 15.540 -5.135 614 HH12 ARG 80 2HH1 ARG 80 -13.665 17.234 -5.298 615 HH21 ARG 80 1HH2 ARG 80 -16.982 18.266 -5.740 616 HH22 ARG 80 2HH2 ARG 80 -15.312 18.777 -5.641 617 H GLU 81 H GLU 81 -20.658 12.314 -5.006 618 HA GLU 81 HA GLU 81 -21.205 11.125 -7.644 619 HB2 GLU 81 1HB GLU 81 -22.988 11.237 -5.918 620 HB3 GLU 81 2HB GLU 81 -22.878 12.992 -5.913 621 HG2 GLU 81 1HG GLU 81 -23.586 13.045 -8.270 622 HG3 GLU 81 2HG GLU 81 -23.698 11.286 -8.274 623 H PHE 82 H PHE 82 -20.832 12.056 -9.519 624 HA PHE 82 HA PHE 82 -20.862 15.031 -9.646 625 HB2 PHE 82 1HB PHE 82 -18.489 14.261 -9.562 626 HB3 PHE 82 2HB PHE 82 -18.773 13.259 -10.977 627 HD1 PHE 82 HD1 PHE 82 -19.083 16.811 -9.851 628 HD2 PHE 82 HD2 PHE 82 -18.308 14.111 -13.070 629 HE1 PHE 82 HE1 PHE 82 -18.516 18.721 -11.315 630 HE2 PHE 82 HE2 PHE 82 -17.738 16.018 -14.536 631 HZ PHE 82 HZ PHE 82 -17.844 18.325 -13.657 632 H SER 83 H SER 83 -22.409 15.610 -10.981 633 HA SER 83 HA SER 83 -23.907 15.584 -12.727 634 HB2 SER 83 1HB SER 83 -21.594 15.477 -13.936 635 HB3 SER 83 2HB SER 83 -22.021 13.805 -14.268 636 HG SER 83 HG SER 83 -23.022 14.637 -15.855 637 H GLY 84 H GLY 84 -24.196 13.613 -10.696 638 HA2 GLY 84 1HA GLY 84 -25.836 11.984 -10.357 639 HA3 GLY 84 2HA GLY 84 -26.148 11.961 -12.082 640 H ARG 85 H ARG 85 -22.887 11.562 -10.873 641 HA ARG 85 HA ARG 85 -23.056 8.618 -11.250 642 HB2 ARG 85 1HB ARG 85 -21.083 10.457 -12.645 643 HB3 ARG 85 2HB ARG 85 -20.923 8.709 -12.573 644 HG2 ARG 85 1HG ARG 85 -23.305 10.121 -13.793 645 HG3 ARG 85 2HG ARG 85 -21.871 9.589 -14.704 646 HD2 ARG 85 1HD ARG 85 -22.280 7.296 -13.942 647 HD3 ARG 85 2HD ARG 85 -23.758 7.856 -13.127 648 HE ARG 85 HE ARG 85 -23.333 7.489 -15.991 649 HH11 ARG 85 1HH1 ARG 85 -25.338 8.890 -13.469 650 HH12 ARG 85 2HH1 ARG 85 -26.753 9.014 -14.488 651 HH21 ARG 85 1HH2 ARG 85 -25.178 7.654 -17.305 652 HH22 ARG 85 2HH2 ARG 85 -26.664 8.314 -16.660 653 H ALA 86 H ALA 86 -22.298 7.702 -9.485 654 HA ALA 86 HA ALA 86 -20.476 9.101 -7.699 655 HB1 ALA 86 1HB ALA 86 -20.562 7.015 -6.373 656 HB2 ALA 86 2HB ALA 86 -22.190 7.586 -6.811 657 HB3 ALA 86 3HB ALA 86 -21.458 6.224 -7.690 658 H LEU 87 H LEU 87 -18.349 9.093 -7.670 659 HA LEU 87 HA LEU 87 -16.941 7.851 -9.867 660 HB2 LEU 87 1HB LEU 87 -15.953 9.327 -7.403 661 HB3 LEU 87 2HB LEU 87 -14.914 8.806 -8.732 662 HG LEU 87 HG LEU 87 -17.209 10.781 -8.993 663 HD11 LEU 87 1HD1 LEU 87 -15.431 12.461 -9.197 664 HD12 LEU 87 2HD1 LEU 87 -15.397 11.657 -7.610 665 HD13 LEU 87 3HD1 LEU 87 -14.211 11.211 -8.859 666 HD21 LEU 87 1HD2 LEU 87 -16.211 11.191 -11.217 667 HD22 LEU 87 2HD2 LEU 87 -15.001 9.923 -10.908 668 HD23 LEU 87 3HD2 LEU 87 -16.723 9.495 -11.048 669 H ARG 88 H ARG 88 -15.571 6.141 -9.926 670 HA ARG 88 HA ARG 88 -15.359 4.535 -7.414 671 HB2 ARG 88 1HB ARG 88 -16.578 3.378 -9.210 672 HB3 ARG 88 2HB ARG 88 -15.230 3.624 -10.310 673 HG2 ARG 88 1HG ARG 88 -13.848 2.104 -9.128 674 HG3 ARG 88 2HG ARG 88 -14.957 2.065 -7.736 675 HD2 ARG 88 1HD ARG 88 -15.143 0.066 -9.090 676 HD3 ARG 88 2HD ARG 88 -16.651 1.009 -9.110 677 HE ARG 88 HE ARG 88 -16.321 1.503 -11.355 678 HH11 ARG 88 1HH1 ARG 88 -13.556 -0.221 -10.043 679 HH12 ARG 88 2HH1 ARG 88 -12.870 -0.572 -11.614 680 HH21 ARG 88 1HH2 ARG 88 -15.422 1.041 -13.389 681 HH22 ARG 88 2HH2 ARG 88 -13.926 0.142 -13.508 682 H VAL 89 H VAL 89 -13.455 4.990 -6.481 683 HA VAL 89 HA VAL 89 -11.118 5.429 -8.293 684 HB VAL 89 HB VAL 89 -11.833 6.997 -5.777 685 HG11 VAL 89 1HG1 VAL 89 -9.920 8.405 -6.364 686 HG12 VAL 89 2HG1 VAL 89 -9.434 6.726 -6.030 687 HG13 VAL 89 3HG1 VAL 89 -9.527 7.309 -7.710 688 HG21 VAL 89 1HG2 VAL 89 -12.148 8.884 -7.346 689 HG22 VAL 89 2HG2 VAL 89 -11.827 7.796 -8.717 690 HG23 VAL 89 3HG2 VAL 89 -13.272 7.553 -7.707 691 H ASP 90 H ASP 90 -9.335 4.334 -7.820 692 HA ASP 90 HA ASP 90 -8.687 3.634 -5.055 693 HB2 ASP 90 1HB ASP 90 -10.276 1.802 -6.209 694 HB3 ASP 90 2HB ASP 90 -8.752 1.272 -6.907 695 H ASN 91 H ASN 91 -6.653 2.096 -5.125 696 HA ASN 91 HA ASN 91 -4.621 3.627 -6.462 697 HB2 ASN 91 1HB ASN 91 -4.392 2.324 -4.289 698 HB3 ASN 91 2HB ASN 91 -4.310 0.862 -5.262 699 HD21 ASN 91 1HD2 ASN 91 -0.926 2.443 -4.480 700 HD22 ASN 91 2HD2 ASN 91 -2.339 2.246 -3.499 701 H ALA 92 H ALA 92 -3.777 3.500 -8.396 702 HA ALA 92 HA ALA 92 -4.944 1.756 -10.344 703 HB1 ALA 92 1HB ALA 92 -3.266 2.719 -11.886 704 HB2 ALA 92 2HB ALA 92 -4.077 3.978 -10.923 705 HB3 ALA 92 3HB ALA 92 -2.429 3.457 -10.501 706 H ALA 93 H ALA 93 -2.298 1.383 -8.175 707 HA ALA 93 HA ALA 93 -0.942 -0.634 -9.806 708 HB1 ALA 93 1HB ALA 93 0.545 -0.867 -7.844 709 HB2 ALA 93 2HB ALA 93 0.366 0.834 -8.337 710 HB3 ALA 93 3HB ALA 93 -0.517 0.221 -6.920 711 H SER 94 H SER 94 -3.710 -0.622 -7.977 712 HA SER 94 HA SER 94 -3.534 -3.104 -6.579 713 HB2 SER 94 1HB SER 94 -5.311 -1.499 -6.139 714 HB3 SER 94 2HB SER 94 -5.913 -1.653 -7.783 715 HG SER 94 HG SER 94 -6.716 -2.976 -5.813 716 H GLU 95 H GLU 95 -3.918 -5.180 -7.126 717 HA GLU 95 HA GLU 95 -3.419 -5.904 -9.857 718 HB2 GLU 95 1HB GLU 95 -4.359 -7.566 -7.485 719 HB3 GLU 95 2HB GLU 95 -3.879 -8.242 -9.035 720 HG2 GLU 95 1HG GLU 95 -2.111 -6.650 -7.165 721 HG3 GLU 95 2HG GLU 95 -2.094 -8.399 -7.384 722 H LYS 96 H LYS 96 -6.349 -5.650 -7.907 723 HA LYS 96 HA LYS 96 -8.150 -6.898 -9.714 724 HB2 LYS 96 1HB LYS 96 -8.752 -6.237 -7.403 725 HB3 LYS 96 2HB LYS 96 -8.631 -4.540 -7.849 726 HG2 LYS 96 1HG LYS 96 -10.505 -4.785 -9.407 727 HG3 LYS 96 2HG LYS 96 -10.605 -6.512 -9.036 728 HD2 LYS 96 1HD LYS 96 -11.104 -5.991 -6.678 729 HD3 LYS 96 2HD LYS 96 -10.971 -4.260 -7.025 730 HE2 LYS 96 1HE LYS 96 -12.854 -4.431 -8.617 731 HE3 LYS 96 2HE LYS 96 -12.986 -6.160 -8.283 732 HZ1 LYS 96 1HZ LYS 96 -14.561 -4.894 -7.016 733 HZ2 LYS 96 2HZ LYS 96 -13.485 -5.621 -5.998 734 HZ3 LYS 96 3HZ LYS 96 -13.364 -4.006 -6.311 735 H ASN 97 H ASN 97 -7.029 -3.519 -9.512 736 HA ASN 97 HA ASN 97 -8.617 -2.602 -11.721 737 HB2 ASN 97 1HB ASN 97 -6.125 -1.548 -10.369 738 HB3 ASN 97 2HB ASN 97 -6.837 -0.740 -11.759 739 HD21 ASN 97 1HD2 ASN 97 -8.153 0.703 -8.579 740 HD22 ASN 97 2HD2 ASN 97 -6.568 0.410 -9.213 741 H LYS 98 H LYS 98 -5.376 -3.995 -11.486 742 HA LYS 98 HA LYS 98 -4.572 -3.552 -14.172 743 HB2 LYS 98 1HB LYS 98 -3.910 -5.771 -12.205 744 HB3 LYS 98 2HB LYS 98 -3.159 -5.649 -13.789 745 HG2 LYS 98 1HG LYS 98 -2.255 -3.432 -13.200 746 HG3 LYS 98 2HG LYS 98 -3.018 -3.547 -11.608 747 HD2 LYS 98 1HD LYS 98 -1.697 -5.615 -11.155 748 HD3 LYS 98 2HD LYS 98 -0.894 -5.418 -12.720 749 HE2 LYS 98 1HE LYS 98 0.010 -3.248 -12.011 750 HE3 LYS 98 2HE LYS 98 -0.841 -3.374 -10.470 751 HZ1 LYS 98 1HZ LYS 98 1.444 -4.027 -10.272 752 HZ2 LYS 98 2HZ LYS 98 0.468 -5.323 -9.973 753 HZ3 LYS 98 3HZ LYS 98 1.264 -5.204 -11.413 754 H GLU 99 H GLU 99 -6.430 -6.217 -12.713 755 HA GLU 99 HA GLU 99 -6.637 -7.737 -15.139 756 HB2 GLU 99 1HB GLU 99 -8.324 -7.697 -12.608 757 HB3 GLU 99 2HB GLU 99 -8.586 -8.834 -13.923 758 HG2 GLU 99 1HG GLU 99 -6.048 -8.571 -12.295 759 HG3 GLU 99 2HG GLU 99 -7.288 -9.807 -12.093 760 H GLU 100 H GLU 100 -8.689 -5.252 -13.639 761 HA GLU 100 HA GLU 100 -10.765 -5.274 -15.582 762 HB2 GLU 100 1HB GLU 100 -10.906 -4.021 -13.457 763 HB3 GLU 100 2HB GLU 100 -9.624 -2.942 -13.989 764 HG2 GLU 100 1HG GLU 100 -11.036 -2.106 -15.796 765 HG3 GLU 100 2HG GLU 100 -12.312 -3.236 -15.348 766 H LEU 101 H LEU 101 -7.679 -3.485 -15.476 767 HA LEU 101 HA LEU 101 -8.118 -1.994 -17.863 768 HB2 LEU 101 1HB LEU 101 -5.585 -2.884 -16.452 769 HB3 LEU 101 2HB LEU 101 -5.574 -1.836 -17.873 770 HG LEU 101 HG LEU 101 -6.968 -1.152 -15.262 771 HD11 LEU 101 1HD1 LEU 101 -5.063 0.347 -14.879 772 HD12 LEU 101 2HD1 LEU 101 -4.557 -1.358 -14.940 773 HD13 LEU 101 3HD1 LEU 101 -4.266 -0.293 -16.336 774 HD21 LEU 101 1HD2 LEU 101 -7.019 1.112 -16.252 775 HD22 LEU 101 2HD2 LEU 101 -6.250 0.484 -17.730 776 HD23 LEU 101 3HD2 LEU 101 -7.886 -0.055 -17.279 777 H LYS 102 H LYS 102 -6.860 -5.238 -17.285 778 HA LYS 102 HA LYS 102 -5.898 -5.763 -19.912 779 HB2 LYS 102 1HB LYS 102 -7.058 -7.573 -17.766 780 HB3 LYS 102 2HB LYS 102 -6.442 -8.191 -19.292 781 HG2 LYS 102 1HG LYS 102 -4.219 -7.288 -18.793 782 HG3 LYS 102 2HG LYS 102 -4.827 -6.596 -17.282 783 HD2 LYS 102 1HD LYS 102 -5.431 -8.884 -16.503 784 HD3 LYS 102 2HD LYS 102 -4.753 -9.552 -17.995 785 HE2 LYS 102 1HE LYS 102 -2.542 -8.634 -17.422 786 HE3 LYS 102 2HE LYS 102 -3.206 -7.914 -15.953 787 HZ1 LYS 102 1HZ LYS 102 -2.115 -9.987 -15.504 788 HZ2 LYS 102 2HZ LYS 102 -3.726 -10.123 -15.174 789 HZ3 LYS 102 3HZ LYS 102 -3.105 -10.796 -16.546 790 H SER 103 H SER 103 -9.139 -6.070 -18.486 791 HA SER 103 HA SER 103 -10.281 -7.130 -20.947 792 HB2 SER 103 1HB SER 103 -12.386 -7.015 -19.795 793 HB3 SER 103 2HB SER 103 -11.181 -7.612 -18.664 794 HG SER 103 HG SER 103 -10.987 -5.171 -18.277 795 H LEU 104 H LEU 104 -9.763 -3.974 -19.531 796 HA LEU 104 HA LEU 104 -11.549 -2.589 -21.363 797 HB2 LEU 104 1HB LEU 104 -9.298 -1.641 -19.559 798 HB3 LEU 104 2HB LEU 104 -10.283 -0.554 -20.543 799 HG LEU 104 HG LEU 104 -11.377 -2.366 -18.363 800 HD11 LEU 104 1HD1 LEU 104 -11.567 -0.301 -17.049 801 HD12 LEU 104 2HD1 LEU 104 -9.873 -0.673 -17.449 802 HD13 LEU 104 3HD1 LEU 104 -10.741 0.598 -18.343 803 HD21 LEU 104 1HD2 LEU 104 -13.393 -0.962 -18.639 804 HD22 LEU 104 2HD2 LEU 104 -12.594 -0.071 -19.956 805 HD23 LEU 104 3HD2 LEU 104 -12.982 -1.797 -20.156 806 H GLY 105 H GLY 105 -8.175 -3.570 -21.337 807 HA2 GLY 105 1HA GLY 105 -6.760 -3.762 -23.210 808 HA3 GLY 105 2HA GLY 105 -7.948 -2.927 -24.193 809 H THR 106 H THR 106 -6.741 -1.732 -21.089 810 HA THR 106 HA THR 106 -5.342 0.460 -22.564 811 HB THR 106 HB THR 106 -6.970 0.674 -19.995 812 HG1 THR 106 HG1 THR 106 -7.397 1.343 -22.699 813 HG21 THR 106 1HG2 THR 106 -6.442 3.077 -20.122 814 HG22 THR 106 2HG2 THR 106 -4.959 2.109 -19.946 815 HG23 THR 106 3HG2 THR 106 -5.401 2.779 -21.533 Start of MODEL 9 1 H MET 1 1H MET 1 1.892 7.581 4.019 2 HA MET 1 HA MET 1 2.157 6.326 2.028 3 HB2 MET 1 1HB MET 1 4.740 7.311 3.299 4 HB3 MET 1 2HB MET 1 4.519 6.999 1.584 5 HG2 MET 1 1HG MET 1 2.769 8.755 1.506 6 HG3 MET 1 2HG MET 1 3.048 9.086 3.218 7 HE1 MET 1 1HE MET 1 5.945 10.019 -0.251 8 HE2 MET 1 2HE MET 1 5.436 8.352 0.116 9 HE3 MET 1 3HE MET 1 4.236 9.552 -0.423 10 H ALA 2 H ALA 2 3.891 4.971 0.895 11 HA ALA 2 HA ALA 2 5.000 2.842 2.591 12 HB1 ALA 2 1HB ALA 2 3.874 1.039 1.325 13 HB2 ALA 2 2HB ALA 2 2.707 2.054 2.206 14 HB3 ALA 2 3HB ALA 2 2.920 2.260 0.452 15 H GLY 3 H GLY 3 6.445 1.420 1.479 16 HA2 GLY 3 1HA GLY 3 8.032 0.897 -0.151 17 HA3 GLY 3 2HA GLY 3 7.175 1.921 -1.288 18 H LEU 4 H LEU 4 8.225 3.072 1.873 19 HA LEU 4 HA LEU 4 9.538 5.330 0.610 20 HB2 LEU 4 1HB LEU 4 9.367 4.457 3.516 21 HB3 LEU 4 2HB LEU 4 10.054 5.990 2.969 22 HG LEU 4 HG LEU 4 7.160 5.136 2.598 23 HD11 LEU 4 1HD1 LEU 4 6.699 6.828 4.316 24 HD12 LEU 4 2HD1 LEU 4 7.730 5.520 4.941 25 HD13 LEU 4 3HD1 LEU 4 8.446 7.095 4.522 26 HD21 LEU 4 1HD2 LEU 4 6.857 7.488 1.899 27 HD22 LEU 4 2HD2 LEU 4 8.607 7.765 2.071 28 HD23 LEU 4 3HD2 LEU 4 8.002 6.644 0.828 29 H THR 5 H THR 5 10.530 2.199 1.522 30 HA THR 5 HA THR 5 13.387 3.052 1.537 31 HB THR 5 HB THR 5 13.873 0.765 2.376 32 HG1 THR 5 HG1 THR 5 12.379 -0.699 2.124 33 HG21 THR 5 1HG2 THR 5 12.847 1.018 4.601 34 HG22 THR 5 2HG2 THR 5 13.429 2.584 3.988 35 HG23 THR 5 3HG2 THR 5 11.693 2.200 3.940 36 H VAL 6 H VAL 6 11.246 2.491 -0.720 37 HA VAL 6 HA VAL 6 12.865 0.549 -2.281 38 HB VAL 6 HB VAL 6 10.156 1.815 -2.876 39 HG11 VAL 6 1HG1 VAL 6 9.999 0.158 -4.670 40 HG12 VAL 6 2HG1 VAL 6 11.359 1.279 -4.916 41 HG13 VAL 6 3HG1 VAL 6 11.662 -0.372 -4.324 42 HG21 VAL 6 1HG2 VAL 6 9.281 -0.444 -2.372 43 HG22 VAL 6 2HG2 VAL 6 10.924 -0.984 -1.953 44 HG23 VAL 6 3HG2 VAL 6 10.114 0.253 -0.963 45 H ARG 7 H ARG 7 14.356 1.250 -3.631 46 HA ARG 7 HA ARG 7 14.621 4.085 -4.200 47 HB2 ARG 7 1HB ARG 7 16.151 1.646 -5.156 48 HB3 ARG 7 2HB ARG 7 16.561 3.289 -5.626 49 HG2 ARG 7 1HG ARG 7 16.993 3.876 -3.290 50 HG3 ARG 7 2HG ARG 7 16.537 2.230 -2.788 51 HD2 ARG 7 1HD ARG 7 18.348 1.322 -4.126 52 HD3 ARG 7 2HD ARG 7 18.804 2.968 -4.625 53 HE ARG 7 HE ARG 7 18.771 2.954 -1.833 54 HH11 ARG 7 1HH1 ARG 7 20.517 1.347 -4.424 55 HH12 ARG 7 2HH1 ARG 7 21.979 1.148 -3.485 56 HH21 ARG 7 1HH2 ARG 7 20.675 2.690 -0.624 57 HH22 ARG 7 2HH2 ARG 7 22.070 1.908 -1.334 58 H ASP 8 H ASP 8 13.246 1.320 -5.811 59 HA ASP 8 HA ASP 8 13.383 2.299 -8.497 60 HB2 ASP 8 1HB ASP 8 12.884 -0.077 -7.828 61 HB3 ASP 8 2HB ASP 8 11.296 0.444 -7.283 62 HA PRO 9 HA PRO 9 10.458 5.530 -7.864 63 HB2 PRO 9 1HB PRO 9 10.735 6.724 -10.325 64 HB3 PRO 9 2HB PRO 9 11.952 6.886 -9.053 65 HG2 PRO 9 1HG PRO 9 11.898 4.950 -11.409 66 HG3 PRO 9 2HG PRO 9 13.229 5.977 -10.870 67 HD2 PRO 9 1HD PRO 9 13.106 3.359 -10.153 68 HD3 PRO 9 2HD PRO 9 13.733 4.612 -9.009 69 H ALA 10 H ALA 10 10.456 3.062 -10.321 70 HA ALA 10 HA ALA 10 7.916 3.645 -11.515 71 HB1 ALA 10 1HB ALA 10 7.988 1.294 -12.279 72 HB2 ALA 10 2HB ALA 10 9.536 2.125 -12.559 73 HB3 ALA 10 3HB ALA 10 9.367 0.993 -11.197 74 H VAL 11 H VAL 11 8.886 1.783 -8.664 75 HA VAL 11 HA VAL 11 6.281 0.767 -8.046 76 HB VAL 11 HB VAL 11 8.669 1.405 -6.264 77 HG11 VAL 11 1HG1 VAL 11 7.600 -0.014 -4.582 78 HG12 VAL 11 2HG1 VAL 11 6.634 1.436 -4.942 79 HG13 VAL 11 3HG1 VAL 11 6.154 -0.142 -5.610 80 HG21 VAL 11 1HG2 VAL 11 9.004 -1.045 -6.350 81 HG22 VAL 11 2HG2 VAL 11 7.602 -1.197 -7.436 82 HG23 VAL 11 3HG2 VAL 11 9.059 -0.331 -7.978 83 H ASP 12 H ASP 12 8.058 3.638 -6.844 84 HA ASP 12 HA ASP 12 5.980 4.693 -5.244 85 HB2 ASP 12 1HB ASP 12 8.311 5.535 -5.218 86 HB3 ASP 12 2HB ASP 12 8.102 6.191 -6.836 87 H ARG 13 H ARG 13 6.652 5.084 -8.712 88 HA ARG 13 HA ARG 13 4.671 7.046 -9.249 89 HB2 ARG 13 1HB ARG 13 6.451 6.379 -10.842 90 HB3 ARG 13 2HB ARG 13 5.671 4.819 -11.059 91 HG2 ARG 13 1HG ARG 13 3.771 5.824 -12.121 92 HG3 ARG 13 2HG ARG 13 4.345 7.459 -11.715 93 HD2 ARG 13 1HD ARG 13 6.319 7.089 -13.103 94 HD3 ARG 13 2HD ARG 13 5.694 5.481 -13.538 95 HE ARG 13 HE ARG 13 4.258 6.465 -15.018 96 HH11 ARG 13 1HH1 ARG 13 5.420 8.914 -12.784 97 HH12 ARG 13 2HH1 ARG 13 4.686 10.239 -13.658 98 HH21 ARG 13 1HH2 ARG 13 3.309 8.194 -16.144 99 HH22 ARG 13 2HH2 ARG 13 3.490 9.833 -15.560 100 H SER 14 H SER 14 4.505 3.484 -9.259 101 HA SER 14 HA SER 14 1.778 3.382 -10.178 102 HB2 SER 14 1HB SER 14 1.884 1.042 -9.664 103 HB3 SER 14 2HB SER 14 3.439 1.511 -10.333 104 HG SER 14 HG SER 14 3.907 1.910 -7.964 105 H LEU 15 H LEU 15 3.280 3.809 -7.056 106 HA LEU 15 HA LEU 15 0.872 3.203 -5.537 107 HB2 LEU 15 1HB LEU 15 3.468 4.605 -4.827 108 HB3 LEU 15 2HB LEU 15 2.163 4.329 -3.669 109 HG LEU 15 HG LEU 15 3.656 2.128 -5.140 110 HD11 LEU 15 1HD1 LEU 15 4.768 1.748 -2.985 111 HD12 LEU 15 2HD1 LEU 15 5.131 3.363 -3.637 112 HD13 LEU 15 3HD1 LEU 15 3.956 3.181 -2.313 113 HD21 LEU 15 1HD2 LEU 15 2.547 0.683 -3.468 114 HD22 LEU 15 2HD2 LEU 15 1.702 2.102 -2.802 115 HD23 LEU 15 3HD2 LEU 15 1.349 1.553 -4.458 116 H ARG 16 H ARG 16 2.325 6.044 -7.008 117 HA ARG 16 HA ARG 16 0.293 7.798 -5.759 118 HB2 ARG 16 1HB ARG 16 2.669 8.355 -7.560 119 HB3 ARG 16 2HB ARG 16 1.521 9.592 -7.071 120 HG2 ARG 16 1HG ARG 16 2.096 9.102 -4.683 121 HG3 ARG 16 2HG ARG 16 3.363 8.000 -5.275 122 HD2 ARG 16 1HD ARG 16 3.168 10.880 -6.099 123 HD3 ARG 16 2HD ARG 16 4.091 10.322 -4.685 124 HE ARG 16 HE ARG 16 5.542 9.102 -6.154 125 HH11 ARG 16 1HH1 ARG 16 3.274 11.246 -7.766 126 HH12 ARG 16 2HH1 ARG 16 4.204 11.322 -9.246 127 HH21 ARG 16 1HH2 ARG 16 6.741 9.209 -8.079 128 HH22 ARG 16 2HH2 ARG 16 6.167 10.170 -9.424 129 H SER 17 H SER 17 0.771 5.945 -8.589 130 HA SER 17 HA SER 17 -1.046 7.533 -10.252 131 HB2 SER 17 1HB SER 17 0.689 6.238 -11.339 132 HB3 SER 17 2HB SER 17 0.146 4.761 -10.559 133 HG SER 17 HG SER 17 -1.855 5.067 -11.628 134 H VAL 18 H VAL 18 -3.178 7.462 -10.245 135 HA VAL 18 HA VAL 18 -4.470 5.204 -8.771 136 HB VAL 18 HB VAL 18 -5.242 8.153 -8.720 137 HG11 VAL 18 1HG1 VAL 18 -6.908 7.479 -7.060 138 HG12 VAL 18 2HG1 VAL 18 -7.193 6.712 -8.640 139 HG13 VAL 18 3HG1 VAL 18 -6.468 5.774 -7.312 140 HG21 VAL 18 1HG2 VAL 18 -4.597 8.015 -6.335 141 HG22 VAL 18 2HG2 VAL 18 -4.083 6.328 -6.573 142 HG23 VAL 18 3HG2 VAL 18 -3.218 7.647 -7.397 143 H PHE 19 H PHE 19 -6.011 4.157 -9.830 144 HA PHE 19 HA PHE 19 -6.916 5.065 -12.441 145 HB2 PHE 19 1HB PHE 19 -6.681 2.681 -12.033 146 HB3 PHE 19 2HB PHE 19 -7.770 2.755 -10.656 147 HD1 PHE 19 HD1 PHE 19 -7.667 3.390 -14.332 148 HD2 PHE 19 HD2 PHE 19 -10.028 2.315 -10.938 149 HE1 PHE 19 HE1 PHE 19 -9.579 2.897 -15.820 150 HE2 PHE 19 HE2 PHE 19 -11.941 1.818 -12.423 151 HZ PHE 19 HZ PHE 19 -11.716 2.111 -14.865 152 H VAL 20 H VAL 20 -8.588 6.295 -12.932 153 HA VAL 20 HA VAL 20 -10.721 6.634 -10.863 154 HB VAL 20 HB VAL 20 -9.748 8.681 -12.903 155 HG11 VAL 20 1HG1 VAL 20 -11.256 10.228 -11.755 156 HG12 VAL 20 2HG1 VAL 20 -12.133 8.866 -12.490 157 HG13 VAL 20 3HG1 VAL 20 -11.845 8.896 -10.734 158 HG21 VAL 20 1HG2 VAL 20 -8.943 9.912 -10.913 159 HG22 VAL 20 2HG2 VAL 20 -9.459 8.564 -9.873 160 HG23 VAL 20 3HG2 VAL 20 -8.149 8.326 -11.053 161 H GLY 21 H GLY 21 -12.665 5.965 -11.439 162 HA2 GLY 21 1HA GLY 21 -13.324 5.817 -14.355 163 HA3 GLY 21 2HA GLY 21 -13.562 4.422 -13.319 164 H ASN 22 H ASN 22 -15.794 4.934 -14.379 165 HA ASN 22 HA ASN 22 -17.962 5.685 -14.180 166 HB2 ASN 22 1HB ASN 22 -17.122 6.037 -11.283 167 HB3 ASN 22 2HB ASN 22 -18.780 6.116 -11.863 168 HD21 ASN 22 1HD2 ASN 22 -18.107 2.711 -10.574 169 HD22 ASN 22 2HD2 ASN 22 -18.032 4.319 -9.933 170 H ILE 23 H ILE 23 -16.218 7.538 -15.214 171 HA ILE 23 HA ILE 23 -16.782 10.100 -13.867 172 HB ILE 23 HB ILE 23 -15.233 9.454 -16.413 173 HG12 ILE 23 1HG1 ILE 23 -14.205 10.321 -13.704 174 HG13 ILE 23 2HG1 ILE 23 -14.278 8.647 -14.232 175 HG21 ILE 23 1HG2 ILE 23 -14.454 11.786 -16.278 176 HG22 ILE 23 2HG2 ILE 23 -16.218 11.713 -16.491 177 HG23 ILE 23 3HG2 ILE 23 -15.531 12.070 -14.890 178 HD11 ILE 23 1HD1 ILE 23 -12.052 9.571 -14.549 179 HD12 ILE 23 2HD1 ILE 23 -12.789 9.164 -16.117 180 HD13 ILE 23 3HD1 ILE 23 -12.714 10.859 -15.581 181 HA PRO 24 HA PRO 24 -20.562 10.594 -16.066 182 HB2 PRO 24 1HB PRO 24 -20.024 13.469 -15.237 183 HB3 PRO 24 2HB PRO 24 -21.515 12.530 -15.088 184 HG2 PRO 24 1HG PRO 24 -20.023 12.875 -12.913 185 HG3 PRO 24 2HG PRO 24 -20.710 11.279 -13.229 186 HD2 PRO 24 1HD PRO 24 -17.882 12.285 -13.742 187 HD3 PRO 24 2HD PRO 24 -18.422 10.699 -13.057 188 H TYR 25 H TYR 25 -21.082 11.247 -18.128 189 HA TYR 25 HA TYR 25 -19.041 12.067 -19.934 190 HB2 TYR 25 1HB TYR 25 -20.766 12.192 -21.592 191 HB3 TYR 25 2HB TYR 25 -21.180 10.855 -20.529 192 HD1 TYR 25 HD1 TYR 25 -22.092 14.216 -21.656 193 HD2 TYR 25 HD2 TYR 25 -23.066 11.003 -18.984 194 HE1 TYR 25 HE1 TYR 25 -24.320 15.212 -21.270 195 HE2 TYR 25 HE2 TYR 25 -25.295 12.000 -18.598 196 HH TYR 25 HH TYR 25 -26.130 15.166 -19.815 197 H GLU 26 H GLU 26 -21.150 13.883 -17.856 198 HA GLU 26 HA GLU 26 -20.884 16.408 -19.224 199 HB2 GLU 26 1HB GLU 26 -21.548 15.721 -16.334 200 HB3 GLU 26 2HB GLU 26 -21.593 17.354 -16.984 201 HG2 GLU 26 1HG GLU 26 -23.331 16.706 -18.572 202 HG3 GLU 26 2HG GLU 26 -23.256 15.040 -18.002 203 H ALA 27 H ALA 27 -18.870 14.594 -17.032 204 HA ALA 27 HA ALA 27 -17.278 16.961 -16.315 205 HB1 ALA 27 1HB ALA 27 -15.980 15.370 -14.936 206 HB2 ALA 27 2HB ALA 27 -17.725 15.262 -14.601 207 HB3 ALA 27 3HB ALA 27 -16.933 14.025 -15.605 208 H THR 28 H THR 28 -15.093 17.258 -16.767 209 HA THR 28 HA THR 28 -13.854 15.402 -18.718 210 HB THR 28 HB THR 28 -14.948 17.253 -20.038 211 HG1 THR 28 HG1 THR 28 -13.321 16.864 -21.317 212 HG21 THR 28 1HG2 THR 28 -13.928 19.493 -19.933 213 HG22 THR 28 2HG2 THR 28 -14.667 19.057 -18.374 214 HG23 THR 28 3HG2 THR 28 -12.902 18.967 -18.578 215 H GLU 29 H GLU 29 -11.535 16.536 -19.257 216 HA GLU 29 HA GLU 29 -10.100 16.022 -16.847 217 HB2 GLU 29 1HB GLU 29 -9.263 17.217 -19.512 218 HB3 GLU 29 2HB GLU 29 -8.122 16.931 -18.206 219 HG2 GLU 29 1HG GLU 29 -8.635 14.539 -18.250 220 HG3 GLU 29 2HG GLU 29 -9.831 14.805 -19.517 221 H GLU 30 H GLU 30 -10.944 19.044 -18.515 222 HA GLU 30 HA GLU 30 -9.470 20.810 -16.853 223 HB2 GLU 30 1HB GLU 30 -10.576 21.458 -18.994 224 HB3 GLU 30 2HB GLU 30 -12.147 21.296 -18.223 225 HG2 GLU 30 1HG GLU 30 -11.587 23.607 -18.295 226 HG3 GLU 30 2HG GLU 30 -11.505 23.081 -16.615 227 H GLN 31 H GLN 31 -12.693 19.376 -16.470 228 HA GLN 31 HA GLN 31 -13.300 20.809 -14.036 229 HB2 GLN 31 1HB GLN 31 -15.024 19.742 -15.509 230 HB3 GLN 31 2HB GLN 31 -14.418 18.161 -15.040 231 HG2 GLN 31 1HG GLN 31 -16.400 18.688 -13.783 232 HG3 GLN 31 2HG GLN 31 -14.991 18.656 -12.685 233 HE21 GLN 31 1HE2 GLN 31 -15.867 21.732 -11.364 234 HE22 GLN 31 2HE2 GLN 31 -15.339 20.099 -11.127 235 H LEU 32 H LEU 32 -11.731 17.734 -14.792 236 HA LEU 32 HA LEU 32 -11.770 16.718 -12.107 237 HB2 LEU 32 1HB LEU 32 -10.020 16.095 -14.506 238 HB3 LEU 32 2HB LEU 32 -9.913 15.221 -12.976 239 HG LEU 32 HG LEU 32 -12.395 15.355 -14.725 240 HD11 LEU 32 1HD1 LEU 32 -11.837 13.033 -15.294 241 HD12 LEU 32 2HD1 LEU 32 -10.568 14.163 -15.823 242 HD13 LEU 32 3HD1 LEU 32 -10.324 13.169 -14.367 243 HD21 LEU 32 1HD2 LEU 32 -13.176 13.545 -13.234 244 HD22 LEU 32 2HD2 LEU 32 -11.682 13.687 -12.276 245 HD23 LEU 32 3HD2 LEU 32 -12.846 15.033 -12.315 246 H LYS 33 H LYS 33 -9.701 18.955 -13.810 247 HA LYS 33 HA LYS 33 -7.396 18.933 -12.222 248 HB2 LYS 33 1HB LYS 33 -8.894 21.242 -13.507 249 HB3 LYS 33 2HB LYS 33 -7.348 21.452 -12.698 250 HG2 LYS 33 1HG LYS 33 -6.289 19.890 -14.274 251 HG3 LYS 33 2HG LYS 33 -7.846 19.639 -15.077 252 HD2 LYS 33 1HD LYS 33 -7.942 22.059 -15.625 253 HD3 LYS 33 2HD LYS 33 -6.368 22.287 -14.849 254 HE2 LYS 33 1HE LYS 33 -5.319 20.769 -16.465 255 HE3 LYS 33 2HE LYS 33 -6.885 20.443 -17.211 256 HZ1 LYS 33 1HZ LYS 33 -5.649 22.075 -18.434 257 HZ2 LYS 33 2HZ LYS 33 -7.016 22.761 -17.815 258 HZ3 LYS 33 3HZ LYS 33 -5.551 23.066 -17.120 259 H ASP 34 H ASP 34 -10.443 20.703 -11.620 260 HA ASP 34 HA ASP 34 -9.529 21.698 -9.056 261 HB2 ASP 34 1HB ASP 34 -12.269 21.564 -10.365 262 HB3 ASP 34 2HB ASP 34 -12.006 22.260 -8.773 263 H ILE 35 H ILE 35 -11.517 18.970 -10.144 264 HA ILE 35 HA ILE 35 -12.475 18.192 -7.579 265 HB ILE 35 HB ILE 35 -12.013 16.610 -10.136 266 HG12 ILE 35 1HG1 ILE 35 -14.592 17.510 -8.842 267 HG13 ILE 35 2HG1 ILE 35 -13.741 18.450 -10.058 268 HG21 ILE 35 1HG2 ILE 35 -13.377 14.835 -9.111 269 HG22 ILE 35 2HG2 ILE 35 -11.869 15.088 -8.202 270 HG23 ILE 35 3HG2 ILE 35 -13.404 15.736 -7.577 271 HD11 ILE 35 1HD1 ILE 35 -15.537 17.147 -11.053 272 HD12 ILE 35 2HD1 ILE 35 -13.956 16.597 -11.658 273 HD13 ILE 35 3HD1 ILE 35 -14.819 15.646 -10.426 274 H PHE 36 H PHE 36 -9.566 17.241 -9.399 275 HA PHE 36 HA PHE 36 -8.770 15.280 -7.412 276 HB2 PHE 36 1HB PHE 36 -7.320 16.540 -9.769 277 HB3 PHE 36 2HB PHE 36 -6.589 15.325 -8.732 278 HD1 PHE 36 HD1 PHE 36 -9.706 14.182 -8.532 279 HD2 PHE 36 HD2 PHE 36 -6.746 14.802 -11.549 280 HE1 PHE 36 HE1 PHE 36 -10.729 12.395 -9.901 281 HE2 PHE 36 HE2 PHE 36 -7.768 13.018 -12.922 282 HZ PHE 36 HZ PHE 36 -9.759 11.813 -12.096 283 H SER 37 H SER 37 -7.896 18.636 -8.165 284 HA SER 37 HA SER 37 -5.667 18.688 -6.316 285 HB2 SER 37 1HB SER 37 -5.585 21.058 -6.798 286 HB3 SER 37 2HB SER 37 -5.847 20.175 -8.294 287 HG SER 37 HG SER 37 -7.763 20.949 -8.460 288 H GLU 38 H GLU 38 -9.094 19.119 -6.042 289 HA GLU 38 HA GLU 38 -9.227 20.785 -3.755 290 HB2 GLU 38 1HB GLU 38 -11.192 20.120 -5.124 291 HB3 GLU 38 2HB GLU 38 -11.053 18.472 -4.528 292 HG2 GLU 38 1HG GLU 38 -11.511 19.237 -2.247 293 HG3 GLU 38 2HG GLU 38 -11.602 20.904 -2.813 294 H VAL 39 H VAL 39 -8.712 17.285 -4.054 295 HA VAL 39 HA VAL 39 -8.835 17.016 -1.107 296 HB VAL 39 HB VAL 39 -8.824 14.595 -1.536 297 HG11 VAL 39 1HG1 VAL 39 -10.943 14.415 -2.745 298 HG12 VAL 39 2HG1 VAL 39 -10.953 15.760 -1.580 299 HG13 VAL 39 3HG1 VAL 39 -10.757 16.089 -3.319 300 HG21 VAL 39 1HG2 VAL 39 -8.830 13.749 -3.862 301 HG22 VAL 39 2HG2 VAL 39 -8.574 15.405 -4.462 302 HG23 VAL 39 3HG2 VAL 39 -7.314 14.605 -3.492 303 H GLY 40 H GLY 40 -6.545 17.635 -3.469 304 HA2 GLY 40 1HA GLY 40 -4.376 17.840 -1.780 305 HA3 GLY 40 2HA GLY 40 -4.323 16.156 -2.268 306 HA PRO 41 HA PRO 41 -2.635 19.445 -5.447 307 HB2 PRO 41 1HB PRO 41 -0.047 18.309 -4.301 308 HB3 PRO 41 2HB PRO 41 -0.344 19.911 -4.990 309 HG2 PRO 41 1HG PRO 41 -0.274 19.683 -2.344 310 HG3 PRO 41 2HG PRO 41 -1.545 20.667 -3.075 311 HD2 PRO 41 1HD PRO 41 -1.699 17.834 -1.986 312 HD3 PRO 41 2HD PRO 41 -2.897 19.182 -1.837 313 H VAL 42 H VAL 42 -2.160 18.693 -7.484 314 HA VAL 42 HA VAL 42 -1.539 15.783 -7.737 315 HB VAL 42 HB VAL 42 -3.977 16.140 -8.023 316 HG11 VAL 42 1HG1 VAL 42 -4.825 17.460 -9.900 317 HG12 VAL 42 2HG1 VAL 42 -3.938 18.462 -8.727 318 HG13 VAL 42 3HG1 VAL 42 -3.170 18.002 -10.265 319 HG21 VAL 42 1HG2 VAL 42 -4.177 15.092 -10.256 320 HG22 VAL 42 2HG2 VAL 42 -2.500 15.560 -10.624 321 HG23 VAL 42 3HG2 VAL 42 -2.833 14.383 -9.331 322 H VAL 43 H VAL 43 -0.368 15.160 -9.534 323 HA VAL 43 HA VAL 43 1.314 17.336 -10.567 324 HB VAL 43 HB VAL 43 1.480 14.309 -10.878 325 HG11 VAL 43 1HG1 VAL 43 3.733 14.693 -11.751 326 HG12 VAL 43 2HG1 VAL 43 2.483 15.412 -12.794 327 HG13 VAL 43 3HG1 VAL 43 3.447 16.448 -11.715 328 HG21 VAL 43 1HG2 VAL 43 3.373 14.537 -9.301 329 HG22 VAL 43 2HG2 VAL 43 3.067 16.287 -9.191 330 HG23 VAL 43 3HG2 VAL 43 1.859 15.132 -8.580 331 H SER 44 H SER 44 -0.411 14.543 -12.023 332 HA SER 44 HA SER 44 -1.400 16.094 -14.240 333 HB2 SER 44 1HB SER 44 0.958 16.062 -14.905 334 HB3 SER 44 2HB SER 44 1.007 14.313 -14.744 335 HG SER 44 HG SER 44 -0.325 14.093 -16.419 336 H PHE 45 H PHE 45 -2.760 14.927 -15.605 337 HA PHE 45 HA PHE 45 -3.070 12.037 -15.148 338 HB2 PHE 45 1HB PHE 45 -5.437 12.224 -14.476 339 HB3 PHE 45 2HB PHE 45 -4.374 12.966 -13.291 340 HD1 PHE 45 HD1 PHE 45 -6.969 13.543 -15.789 341 HD2 PHE 45 HD2 PHE 45 -4.295 15.396 -13.021 342 HE1 PHE 45 HE1 PHE 45 -8.271 15.639 -15.939 343 HE2 PHE 45 HE2 PHE 45 -5.595 17.494 -13.165 344 HZ PHE 45 HZ PHE 45 -7.583 17.615 -14.626 345 H ARG 46 H ARG 46 -4.514 11.019 -16.626 346 HA ARG 46 HA ARG 46 -5.481 12.710 -18.861 347 HB2 ARG 46 1HB ARG 46 -3.588 10.358 -19.180 348 HB3 ARG 46 2HB ARG 46 -4.492 11.080 -20.502 349 HG2 ARG 46 1HG ARG 46 -2.532 12.618 -18.786 350 HG3 ARG 46 2HG ARG 46 -2.115 11.819 -20.321 351 HD2 ARG 46 1HD ARG 46 -3.857 13.165 -21.430 352 HD3 ARG 46 2HD ARG 46 -4.109 14.029 -19.896 353 HE ARG 46 HE ARG 46 -1.858 14.283 -21.735 354 HH11 ARG 46 1HH1 ARG 46 -3.112 14.916 -18.515 355 HH12 ARG 46 2HH1 ARG 46 -1.989 16.220 -18.199 356 HH21 ARG 46 1HH2 ARG 46 -0.406 15.977 -21.313 357 HH22 ARG 46 2HH2 ARG 46 -0.458 16.822 -19.782 358 H LEU 47 H LEU 47 -7.293 11.975 -19.836 359 HA LEU 47 HA LEU 47 -8.518 9.545 -18.664 360 HB2 LEU 47 1HB LEU 47 -9.654 11.747 -20.423 361 HB3 LEU 47 2HB LEU 47 -10.577 10.363 -19.831 362 HG LEU 47 HG LEU 47 -9.346 12.568 -18.143 363 HD11 LEU 47 1HD1 LEU 47 -11.691 13.108 -17.658 364 HD12 LEU 47 2HD1 LEU 47 -11.331 13.239 -19.396 365 HD13 LEU 47 3HD1 LEU 47 -12.216 11.826 -18.774 366 HD21 LEU 47 1HD2 LEU 47 -10.464 11.423 -16.259 367 HD22 LEU 47 2HD2 LEU 47 -10.973 10.116 -17.355 368 HD23 LEU 47 3HD2 LEU 47 -9.244 10.370 -17.016 369 H VAL 48 H VAL 48 -9.205 7.797 -19.833 370 HA VAL 48 HA VAL 48 -7.941 7.427 -22.460 371 HB VAL 48 HB VAL 48 -9.678 5.574 -20.773 372 HG11 VAL 48 1HG1 VAL 48 -8.896 3.793 -22.258 373 HG12 VAL 48 2HG1 VAL 48 -9.848 5.018 -23.130 374 HG13 VAL 48 3HG1 VAL 48 -8.073 5.002 -23.272 375 HG21 VAL 48 1HG2 VAL 48 -7.529 4.445 -20.293 376 HG22 VAL 48 2HG2 VAL 48 -6.670 5.680 -21.245 377 HG23 VAL 48 3HG2 VAL 48 -7.505 6.136 -19.741 378 H TYR 49 H TYR 49 -8.921 7.377 -24.398 379 HA TYR 49 HA TYR 49 -11.872 7.531 -24.528 380 HB2 TYR 49 1HB TYR 49 -11.880 9.574 -25.839 381 HB3 TYR 49 2HB TYR 49 -11.077 9.886 -24.306 382 HD1 TYR 49 HD1 TYR 49 -10.709 9.706 -27.924 383 HD2 TYR 49 HD2 TYR 49 -8.625 10.164 -24.202 384 HE1 TYR 49 HE1 TYR 49 -8.739 10.581 -29.134 385 HE2 TYR 49 HE2 TYR 49 -6.656 11.040 -25.412 386 HH TYR 49 HH TYR 49 -5.805 11.600 -27.380 387 H ASP 50 H ASP 50 -12.717 7.348 -26.711 388 HA ASP 50 HA ASP 50 -11.292 5.368 -28.249 389 HB2 ASP 50 1HB ASP 50 -13.783 5.521 -28.140 390 HB3 ASP 50 2HB ASP 50 -13.717 7.040 -29.023 391 H ARG 51 H ARG 51 -9.617 5.716 -29.505 392 HA ARG 51 HA ARG 51 -8.808 8.350 -30.310 393 HB2 ARG 51 1HB ARG 51 -7.894 5.591 -31.182 394 HB3 ARG 51 2HB ARG 51 -7.140 7.079 -31.735 395 HG2 ARG 51 1HG ARG 51 -6.513 7.646 -29.440 396 HG3 ARG 51 2HG ARG 51 -7.320 6.173 -28.849 397 HD2 ARG 51 1HD ARG 51 -5.807 4.822 -30.201 398 HD3 ARG 51 2HD ARG 51 -4.986 6.303 -30.745 399 HE ARG 51 HE ARG 51 -4.976 6.359 -27.954 400 HH11 ARG 51 1HH1 ARG 51 -3.699 4.328 -30.520 401 HH12 ARG 51 2HH1 ARG 51 -2.309 3.812 -29.591 402 HH21 ARG 51 1HH2 ARG 51 -3.168 5.681 -26.758 403 HH22 ARG 51 2HH2 ARG 51 -2.008 4.577 -27.462 404 H GLU 52 H GLU 52 -10.921 5.993 -31.700 405 HA GLU 52 HA GLU 52 -10.579 6.895 -34.453 406 HB2 GLU 52 1HB GLU 52 -11.235 4.566 -33.921 407 HB3 GLU 52 2HB GLU 52 -12.721 5.143 -33.179 408 HG2 GLU 52 1HG GLU 52 -13.227 4.319 -35.359 409 HG3 GLU 52 2HG GLU 52 -13.426 6.070 -35.368 410 H THR 53 H THR 53 -13.020 7.325 -31.889 411 HA THR 53 HA THR 53 -14.451 9.213 -33.704 412 HB THR 53 HB THR 53 -16.445 8.807 -32.306 413 HG1 THR 53 HG1 THR 53 -15.240 6.680 -30.963 414 HG21 THR 53 1HG2 THR 53 -16.824 6.447 -32.903 415 HG22 THR 53 2HG2 THR 53 -16.020 7.318 -34.231 416 HG23 THR 53 3HG2 THR 53 -15.080 6.233 -33.181 417 H GLY 54 H GLY 54 -12.830 8.871 -30.636 418 HA2 GLY 54 1HA GLY 54 -11.869 10.759 -29.505 419 HA3 GLY 54 2HA GLY 54 -13.064 11.808 -30.244 420 H LYS 55 H LYS 55 -14.713 9.095 -29.311 421 HA LYS 55 HA LYS 55 -16.050 10.523 -27.178 422 HB2 LYS 55 1HB LYS 55 -17.229 8.973 -28.729 423 HB3 LYS 55 2HB LYS 55 -16.324 7.621 -28.061 424 HG2 LYS 55 1HG LYS 55 -17.366 7.970 -25.870 425 HG3 LYS 55 2HG LYS 55 -18.238 9.377 -26.495 426 HD2 LYS 55 1HD LYS 55 -19.390 7.937 -28.142 427 HD3 LYS 55 2HD LYS 55 -18.512 6.529 -27.528 428 HE2 LYS 55 1HE LYS 55 -19.541 6.857 -25.302 429 HE3 LYS 55 2HE LYS 55 -20.418 8.263 -25.912 430 HZ1 LYS 55 1HZ LYS 55 -21.776 6.302 -25.924 431 HZ2 LYS 55 2HZ LYS 55 -21.531 6.818 -27.472 432 HZ3 LYS 55 3HZ LYS 55 -20.712 5.505 -26.901 433 HA PRO 56 HA PRO 56 -13.290 9.356 -23.938 434 HB2 PRO 56 1HB PRO 56 -15.732 10.220 -22.348 435 HB3 PRO 56 2HB PRO 56 -14.036 10.664 -22.111 436 HG2 PRO 56 1HG PRO 56 -15.649 12.432 -23.273 437 HG3 PRO 56 2HG PRO 56 -14.032 12.189 -23.940 438 HD2 PRO 56 1HD PRO 56 -16.694 11.066 -24.907 439 HD3 PRO 56 2HD PRO 56 -15.336 11.770 -25.873 440 H LYS 57 H LYS 57 -13.092 7.530 -22.681 441 HA LYS 57 HA LYS 57 -15.191 5.497 -22.952 442 HB2 LYS 57 1HB LYS 57 -12.450 5.422 -21.630 443 HB3 LYS 57 2HB LYS 57 -13.526 4.038 -21.765 444 HG2 LYS 57 1HG LYS 57 -12.363 5.574 -24.108 445 HG3 LYS 57 2HG LYS 57 -11.755 4.037 -23.476 446 HD2 LYS 57 1HD LYS 57 -13.991 3.010 -23.943 447 HD3 LYS 57 2HD LYS 57 -14.505 4.538 -24.674 448 HE2 LYS 57 1HE LYS 57 -12.673 4.360 -26.329 449 HE3 LYS 57 2HE LYS 57 -12.164 2.833 -25.603 450 HZ1 LYS 57 1HZ LYS 57 -13.538 2.483 -27.522 451 HZ2 LYS 57 2HZ LYS 57 -14.305 1.913 -26.177 452 HZ3 LYS 57 3HZ LYS 57 -14.780 3.340 -26.857 453 H GLY 58 H GLY 58 -14.024 7.724 -20.542 454 HA2 GLY 58 1HA GLY 58 -15.540 8.437 -18.800 455 HA3 GLY 58 2HA GLY 58 -16.279 6.847 -18.803 456 H TYR 59 H TYR 59 -12.854 6.807 -19.030 457 HA TYR 59 HA TYR 59 -12.383 6.932 -16.136 458 HB2 TYR 59 1HB TYR 59 -11.483 4.678 -15.932 459 HB3 TYR 59 2HB TYR 59 -13.157 4.593 -16.463 460 HD1 TYR 59 HD1 TYR 59 -9.636 4.243 -17.535 461 HD2 TYR 59 HD2 TYR 59 -13.758 3.675 -18.581 462 HE1 TYR 59 HE1 TYR 59 -8.956 2.849 -19.459 463 HE2 TYR 59 HE2 TYR 59 -13.078 2.281 -20.505 464 HH TYR 59 HH TYR 59 -9.654 1.572 -21.144 465 H GLY 60 H GLY 60 -10.096 6.708 -15.578 466 HA2 GLY 60 1HA GLY 60 -8.084 6.703 -17.664 467 HA3 GLY 60 2HA GLY 60 -8.411 8.336 -17.113 468 H PHE 61 H PHE 61 -6.161 8.300 -16.391 469 HA PHE 61 HA PHE 61 -5.953 7.114 -13.665 470 HB2 PHE 61 1HB PHE 61 -3.811 7.058 -15.826 471 HB3 PHE 61 2HB PHE 61 -3.521 6.666 -14.139 472 HD1 PHE 61 HD1 PHE 61 -5.083 5.567 -17.264 473 HD2 PHE 61 HD2 PHE 61 -4.358 4.608 -13.164 474 HE1 PHE 61 HE1 PHE 61 -5.744 3.225 -17.696 475 HE2 PHE 61 HE2 PHE 61 -5.017 2.264 -13.593 476 HZ PHE 61 HZ PHE 61 -5.711 1.573 -15.861 477 H CYS 62 H CYS 62 -4.596 8.222 -12.207 478 HA CYS 62 HA CYS 62 -3.863 10.981 -13.054 479 HB2 CYS 62 1HB CYS 62 -6.106 11.102 -12.035 480 HB3 CYS 62 2HB CYS 62 -5.522 10.262 -10.606 481 HG CYS 62 HG CYS 62 -3.749 12.065 -9.961 482 H GLU 63 H GLU 63 -1.914 11.571 -12.387 483 HA GLU 63 HA GLU 63 -0.646 10.027 -10.184 484 HB2 GLU 63 1HB GLU 63 0.640 10.198 -12.277 485 HB3 GLU 63 2HB GLU 63 0.541 11.952 -12.224 486 HG2 GLU 63 1HG GLU 63 1.843 11.952 -10.124 487 HG3 GLU 63 2HG GLU 63 1.966 10.196 -10.214 488 H TYR 64 H TYR 64 -0.680 10.810 -8.215 489 HA TYR 64 HA TYR 64 -1.278 13.694 -7.851 490 HB2 TYR 64 1HB TYR 64 -1.403 11.302 -5.978 491 HB3 TYR 64 2HB TYR 64 -1.614 12.958 -5.424 492 HD1 TYR 64 HD1 TYR 64 -3.086 10.196 -7.328 493 HD2 TYR 64 HD2 TYR 64 -3.587 14.255 -6.030 494 HE1 TYR 64 HE1 TYR 64 -5.485 10.088 -7.913 495 HE2 TYR 64 HE2 TYR 64 -5.986 14.147 -6.615 496 HH TYR 64 HH TYR 64 -7.402 11.210 -8.036 497 H GLN 65 H GLN 65 -0.223 14.820 -6.016 498 HA GLN 65 HA GLN 65 2.537 15.009 -6.634 499 HB2 GLN 65 1HB GLN 65 1.162 16.867 -5.700 500 HB3 GLN 65 2HB GLN 65 1.084 16.027 -4.158 501 HG2 GLN 65 1HG GLN 65 2.742 17.751 -4.040 502 HG3 GLN 65 2HG GLN 65 3.560 16.164 -3.995 503 HE21 GLN 65 1HE2 GLN 65 5.714 17.052 -6.548 504 HE22 GLN 65 2HE2 GLN 65 5.423 16.234 -5.049 505 H ASP 66 H ASP 66 0.862 13.433 -3.924 506 HA ASP 66 HA ASP 66 3.228 11.703 -3.596 507 HB2 ASP 66 1HB ASP 66 3.378 12.039 -1.185 508 HB3 ASP 66 2HB ASP 66 3.632 13.570 -2.012 509 H GLN 67 H GLN 67 2.669 10.134 -1.614 510 HA GLN 67 HA GLN 67 0.448 8.634 -2.717 511 HB2 GLN 67 1HB GLN 67 2.260 8.115 -0.328 512 HB3 GLN 67 2HB GLN 67 1.052 6.978 -0.910 513 HG2 GLN 67 1HG GLN 67 2.197 6.791 -3.047 514 HG3 GLN 67 2HG GLN 67 3.394 8.009 -2.524 515 HE21 GLN 67 1HE2 GLN 67 5.402 5.249 -1.706 516 HE22 GLN 67 2HE2 GLN 67 5.114 6.547 -2.816 517 H GLU 68 H GLU 68 0.881 10.790 -0.027 518 HA GLU 68 HA GLU 68 -1.417 9.882 1.479 519 HB2 GLU 68 1HB GLU 68 0.138 12.498 1.515 520 HB3 GLU 68 2HB GLU 68 -1.160 12.117 2.638 521 HG2 GLU 68 1HG GLU 68 1.422 10.566 2.334 522 HG3 GLU 68 2HG GLU 68 1.061 11.738 3.599 523 H THR 69 H THR 69 -0.860 12.316 -1.030 524 HA THR 69 HA THR 69 -3.585 13.326 -0.927 525 HB THR 69 HB THR 69 -2.976 14.391 -3.134 526 HG1 THR 69 HG1 THR 69 -0.459 13.135 -2.623 527 HG21 THR 69 1HG2 THR 69 -1.279 15.905 -2.188 528 HG22 THR 69 2HG2 THR 69 -2.542 15.537 -0.989 529 HG23 THR 69 3HG2 THR 69 -0.957 14.738 -0.886 530 H ALA 70 H ALA 70 -1.861 10.829 -2.738 531 HA ALA 70 HA ALA 70 -4.022 10.118 -4.464 532 HB1 ALA 70 1HB ALA 70 -2.881 7.929 -4.632 533 HB2 ALA 70 2HB ALA 70 -1.738 9.283 -4.798 534 HB3 ALA 70 3HB ALA 70 -1.832 8.380 -3.268 535 H LEU 71 H LEU 71 -3.134 9.028 -1.189 536 HA LEU 71 HA LEU 71 -5.322 7.223 -0.866 537 HB2 LEU 71 1HB LEU 71 -3.378 7.238 0.628 538 HB3 LEU 71 2HB LEU 71 -3.794 8.860 1.189 539 HG LEU 71 HG LEU 71 -5.875 7.964 2.200 540 HD11 LEU 71 1HD1 LEU 71 -6.185 5.533 2.342 541 HD12 LEU 71 2HD1 LEU 71 -6.231 6.105 0.657 542 HD13 LEU 71 3HD1 LEU 71 -4.776 5.292 1.282 543 HD21 LEU 71 1HD2 LEU 71 -4.751 6.727 4.021 544 HD22 LEU 71 2HD2 LEU 71 -3.321 6.502 2.985 545 HD23 LEU 71 3HD2 LEU 71 -3.788 8.136 3.514 546 H SER 72 H SER 72 -4.947 10.669 0.006 547 HA SER 72 HA SER 72 -7.433 11.131 1.179 548 HB2 SER 72 1HB SER 72 -5.657 12.821 1.003 549 HB3 SER 72 2HB SER 72 -5.903 12.925 -0.734 550 HG SER 72 HG SER 72 -7.105 14.490 -0.003 551 H ALA 73 H ALA 73 -6.627 11.168 -2.302 552 HA ALA 73 HA ALA 73 -9.246 11.758 -3.227 553 HB1 ALA 73 1HB ALA 73 -8.485 10.791 -5.373 554 HB2 ALA 73 2HB ALA 73 -7.265 11.881 -4.672 555 HB3 ALA 73 3HB ALA 73 -7.056 10.118 -4.554 556 H MET 74 H MET 74 -7.650 8.641 -2.573 557 HA MET 74 HA MET 74 -9.848 7.049 -3.514 558 HB2 MET 74 1HB MET 74 -7.512 6.457 -1.667 559 HB3 MET 74 2HB MET 74 -8.692 5.236 -2.121 560 HG2 MET 74 1HG MET 74 -8.105 5.716 -4.541 561 HG3 MET 74 2HG MET 74 -6.777 6.711 -3.940 562 HE1 MET 74 1HE MET 74 -4.330 4.228 -2.352 563 HE2 MET 74 2HE MET 74 -4.561 5.846 -3.061 564 HE3 MET 74 3HE MET 74 -5.450 5.383 -1.589 565 H ARG 75 H ARG 75 -9.265 8.770 -0.573 566 HA ARG 75 HA ARG 75 -11.333 7.247 0.884 567 HB2 ARG 75 1HB ARG 75 -9.578 9.597 1.658 568 HB3 ARG 75 2HB ARG 75 -10.818 8.928 2.708 569 HG2 ARG 75 1HG ARG 75 -9.658 6.775 2.750 570 HG3 ARG 75 2HG ARG 75 -8.418 7.416 1.646 571 HD2 ARG 75 1HD ARG 75 -7.592 7.498 3.873 572 HD3 ARG 75 2HD ARG 75 -7.916 9.158 3.323 573 HE ARG 75 HE ARG 75 -10.153 8.013 4.728 574 HH11 ARG 75 1HH1 ARG 75 -7.032 9.569 5.148 575 HH12 ARG 75 2HH1 ARG 75 -7.420 10.203 6.731 576 HH21 ARG 75 1HH2 ARG 75 -10.645 8.842 6.785 577 HH22 ARG 75 2HH2 ARG 75 -9.465 9.792 7.659 578 H ASN 76 H ASN 76 -10.860 10.368 -0.708 579 HA ASN 76 HA ASN 76 -13.433 11.337 0.415 580 HB2 ASN 76 1HB ASN 76 -11.140 12.734 -0.990 581 HB3 ASN 76 2HB ASN 76 -12.665 13.530 -0.626 582 HD21 ASN 76 1HD2 ASN 76 -10.104 14.068 2.076 583 HD22 ASN 76 2HD2 ASN 76 -10.053 14.209 0.351 584 H LEU 77 H LEU 77 -11.773 10.998 -2.731 585 HA LEU 77 HA LEU 77 -14.113 11.996 -4.149 586 HB2 LEU 77 1HB LEU 77 -11.524 10.730 -5.110 587 HB3 LEU 77 2HB LEU 77 -12.767 11.379 -6.183 588 HG LEU 77 HG LEU 77 -11.151 12.974 -4.163 589 HD11 LEU 77 1HD1 LEU 77 -10.128 13.962 -6.164 590 HD12 LEU 77 2HD1 LEU 77 -9.838 12.209 -6.074 591 HD13 LEU 77 3HD1 LEU 77 -11.066 12.852 -7.191 592 HD21 LEU 77 1HD2 LEU 77 -12.247 14.921 -5.220 593 HD22 LEU 77 2HD2 LEU 77 -13.216 13.826 -6.235 594 HD23 LEU 77 3HD2 LEU 77 -13.446 13.841 -4.470 595 H ASN 78 H ASN 78 -12.752 8.863 -3.334 596 HA ASN 78 HA ASN 78 -14.347 7.318 -5.160 597 HB2 ASN 78 1HB ASN 78 -12.304 6.481 -3.998 598 HB3 ASN 78 2HB ASN 78 -13.188 6.495 -2.478 599 HD21 ASN 78 1HD2 ASN 78 -13.257 3.205 -4.528 600 HD22 ASN 78 2HD2 ASN 78 -12.010 4.405 -4.455 601 H GLY 79 H GLY 79 -16.459 7.405 -5.249 602 HA2 GLY 79 1HA GLY 79 -18.561 6.621 -4.353 603 HA3 GLY 79 2HA GLY 79 -17.977 6.934 -2.729 604 H ARG 80 H ARG 80 -16.930 9.519 -4.462 605 HA ARG 80 HA ARG 80 -18.960 11.276 -3.362 606 HB2 ARG 80 1HB ARG 80 -16.564 11.912 -3.559 607 HB3 ARG 80 2HB ARG 80 -16.708 11.882 -5.310 608 HG2 ARG 80 1HG ARG 80 -18.210 13.752 -5.300 609 HG3 ARG 80 2HG ARG 80 -18.336 13.704 -3.525 610 HD2 ARG 80 1HD ARG 80 -16.044 14.308 -3.291 611 HD3 ARG 80 2HD ARG 80 -15.789 14.188 -5.047 612 HE ARG 80 HE ARG 80 -17.876 16.034 -4.528 613 HH11 ARG 80 1HH1 ARG 80 -14.397 15.694 -4.177 614 HH12 ARG 80 2HH1 ARG 80 -14.092 17.413 -4.292 615 HH21 ARG 80 1HH2 ARG 80 -17.467 18.263 -4.675 616 HH22 ARG 80 2HH2 ARG 80 -15.828 18.868 -4.573 617 H GLU 81 H GLU 81 -20.588 12.358 -4.349 618 HA GLU 81 HA GLU 81 -21.531 11.066 -6.814 619 HB2 GLU 81 1HB GLU 81 -23.062 11.377 -4.890 620 HB3 GLU 81 2HB GLU 81 -22.857 13.119 -4.997 621 HG2 GLU 81 1HG GLU 81 -23.867 13.097 -7.247 622 HG3 GLU 81 2HG GLU 81 -24.085 11.353 -7.125 623 H PHE 82 H PHE 82 -21.193 11.832 -8.767 624 HA PHE 82 HA PHE 82 -21.150 14.804 -9.089 625 HB2 PHE 82 1HB PHE 82 -19.613 12.712 -10.679 626 HB3 PHE 82 2HB PHE 82 -19.716 14.411 -11.113 627 HD1 PHE 82 HD1 PHE 82 -18.215 11.959 -8.881 628 HD2 PHE 82 HD2 PHE 82 -18.630 16.127 -9.724 629 HE1 PHE 82 HE1 PHE 82 -16.269 12.444 -7.436 630 HE2 PHE 82 HE2 PHE 82 -16.682 16.615 -8.281 631 HZ PHE 82 HZ PHE 82 -15.503 14.772 -7.136 632 H SER 83 H SER 83 -23.200 15.209 -9.678 633 HA SER 83 HA SER 83 -25.108 15.229 -10.965 634 HB2 SER 83 1HB SER 83 -23.296 13.938 -13.033 635 HB3 SER 83 2HB SER 83 -24.883 14.619 -13.357 636 HG SER 83 HG SER 83 -23.613 16.239 -13.768 637 H GLY 84 H GLY 84 -24.771 13.085 -9.164 638 HA2 GLY 84 1HA GLY 84 -26.198 11.307 -8.621 639 HA3 GLY 84 2HA GLY 84 -26.849 11.344 -10.248 640 H ARG 85 H ARG 85 -23.388 11.200 -9.690 641 HA ARG 85 HA ARG 85 -23.382 8.283 -10.274 642 HB2 ARG 85 1HB ARG 85 -21.813 10.391 -11.796 643 HB3 ARG 85 2HB ARG 85 -21.516 8.663 -11.907 644 HG2 ARG 85 1HG ARG 85 -24.164 9.952 -12.601 645 HG3 ARG 85 2HG ARG 85 -22.866 9.617 -13.773 646 HD2 ARG 85 1HD ARG 85 -22.975 7.246 -13.168 647 HD3 ARG 85 2HD ARG 85 -24.330 7.611 -12.075 648 HE ARG 85 HE ARG 85 -24.370 7.511 -14.993 649 HH11 ARG 85 1HH1 ARG 85 -26.018 8.512 -12.057 650 HH12 ARG 85 2HH1 ARG 85 -27.592 8.585 -12.816 651 HH21 ARG 85 1HH2 ARG 85 -26.418 7.609 -15.968 652 HH22 ARG 85 2HH2 ARG 85 -27.820 8.074 -15.030 653 H ALA 86 H ALA 86 -22.197 7.267 -8.829 654 HA ALA 86 HA ALA 86 -20.355 8.712 -7.110 655 HB1 ALA 86 1HB ALA 86 -19.949 6.495 -6.090 656 HB2 ALA 86 2HB ALA 86 -21.688 6.841 -6.246 657 HB3 ALA 86 3HB ALA 86 -20.895 5.733 -7.389 658 H LEU 87 H LEU 87 -18.333 9.192 -7.501 659 HA LEU 87 HA LEU 87 -16.987 8.152 -9.851 660 HB2 LEU 87 1HB LEU 87 -16.730 10.485 -8.931 661 HB3 LEU 87 2HB LEU 87 -15.835 9.798 -7.572 662 HG LEU 87 HG LEU 87 -14.167 8.893 -9.258 663 HD11 LEU 87 1HD1 LEU 87 -14.172 9.930 -11.483 664 HD12 LEU 87 2HD1 LEU 87 -15.629 8.945 -11.213 665 HD13 LEU 87 3HD1 LEU 87 -15.723 10.719 -11.111 666 HD21 LEU 87 1HD2 LEU 87 -13.084 11.097 -9.545 667 HD22 LEU 87 2HD2 LEU 87 -14.620 11.904 -9.146 668 HD23 LEU 87 3HD2 LEU 87 -13.779 10.932 -7.914 669 H ARG 88 H ARG 88 -15.559 6.556 -10.050 670 HA ARG 88 HA ARG 88 -14.817 5.049 -7.607 671 HB2 ARG 88 1HB ARG 88 -15.714 3.759 -9.484 672 HB3 ARG 88 2HB ARG 88 -14.480 4.403 -10.556 673 HG2 ARG 88 1HG ARG 88 -12.737 3.272 -9.222 674 HG3 ARG 88 2HG ARG 88 -14.006 2.594 -8.173 675 HD2 ARG 88 1HD ARG 88 -14.981 1.454 -10.069 676 HD3 ARG 88 2HD ARG 88 -13.744 2.154 -11.139 677 HE ARG 88 HE ARG 88 -12.485 0.786 -8.993 678 HH11 ARG 88 1HH1 ARG 88 -14.327 0.170 -11.919 679 HH12 ARG 88 2HH1 ARG 88 -13.601 -1.397 -12.196 680 HH21 ARG 88 1HH2 ARG 88 -11.549 -1.249 -9.363 681 HH22 ARG 88 2HH2 ARG 88 -12.028 -2.202 -10.750 682 H VAL 89 H VAL 89 -12.955 5.380 -6.635 683 HA VAL 89 HA VAL 89 -10.625 6.217 -8.302 684 HB VAL 89 HB VAL 89 -11.326 7.292 -5.536 685 HG11 VAL 89 1HG1 VAL 89 -9.414 8.782 -5.871 686 HG12 VAL 89 2HG1 VAL 89 -8.931 7.069 -5.863 687 HG13 VAL 89 3HG1 VAL 89 -9.040 7.957 -7.402 688 HG21 VAL 89 1HG2 VAL 89 -11.650 9.441 -6.718 689 HG22 VAL 89 2HG2 VAL 89 -11.349 8.629 -8.273 690 HG23 VAL 89 3HG2 VAL 89 -12.784 8.204 -7.310 691 H ASP 90 H ASP 90 -9.389 4.449 -8.304 692 HA ASP 90 HA ASP 90 -8.658 3.292 -5.659 693 HB2 ASP 90 1HB ASP 90 -9.449 1.706 -8.136 694 HB3 ASP 90 2HB ASP 90 -8.720 1.009 -6.695 695 H ASN 91 H ASN 91 -6.594 2.484 -5.479 696 HA ASN 91 HA ASN 91 -4.610 3.684 -7.142 697 HB2 ASN 91 1HB ASN 91 -4.203 3.048 -4.800 698 HB3 ASN 91 2HB ASN 91 -4.375 1.348 -5.216 699 HD21 ASN 91 1HD2 ASN 91 -1.042 3.404 -6.472 700 HD22 ASN 91 2HD2 ASN 91 -2.542 4.236 -6.235 701 H ALA 92 H ALA 92 -3.535 3.080 -8.888 702 HA ALA 92 HA ALA 92 -4.647 0.844 -10.390 703 HB1 ALA 92 1HB ALA 92 -3.132 1.615 -12.187 704 HB2 ALA 92 2HB ALA 92 -4.096 2.953 -11.517 705 HB3 ALA 92 3HB ALA 92 -2.388 2.767 -11.054 706 H ALA 93 H ALA 93 -3.957 -0.738 -8.715 707 HA ALA 93 HA ALA 93 -1.105 -1.515 -9.073 708 HB1 ALA 93 1HB ALA 93 -1.452 -2.947 -7.086 709 HB2 ALA 93 2HB ALA 93 -1.831 -1.242 -6.744 710 HB3 ALA 93 3HB ALA 93 -3.146 -2.410 -7.005 711 H SER 94 H SER 94 -4.274 -2.295 -10.039 712 HA SER 94 HA SER 94 -3.958 -5.137 -10.367 713 HB2 SER 94 1HB SER 94 -6.163 -4.114 -10.306 714 HB3 SER 94 2HB SER 94 -5.794 -3.134 -11.717 715 HG SER 94 HG SER 94 -6.759 -5.563 -11.605 716 H GLU 95 H GLU 95 -3.443 -6.362 -12.144 717 HA GLU 95 HA GLU 95 -1.390 -5.303 -13.832 718 HB2 GLU 95 1HB GLU 95 -3.008 -7.875 -14.021 719 HB3 GLU 95 2HB GLU 95 -1.619 -7.511 -15.035 720 HG2 GLU 95 1HG GLU 95 -1.592 -7.764 -12.019 721 HG3 GLU 95 2HG GLU 95 -1.046 -8.982 -13.170 722 H LYS 96 H LYS 96 -4.853 -5.860 -14.309 723 HA LYS 96 HA LYS 96 -4.976 -5.223 -17.075 724 HB2 LYS 96 1HB LYS 96 -6.883 -6.144 -15.797 725 HB3 LYS 96 2HB LYS 96 -7.003 -4.652 -14.876 726 HG2 LYS 96 1HG LYS 96 -7.616 -3.410 -16.881 727 HG3 LYS 96 2HG LYS 96 -7.387 -4.855 -17.876 728 HD2 LYS 96 1HD LYS 96 -9.169 -6.006 -16.552 729 HD3 LYS 96 2HD LYS 96 -9.435 -4.502 -15.657 730 HE2 LYS 96 1HE LYS 96 -9.625 -4.662 -18.680 731 HE3 LYS 96 2HE LYS 96 -11.007 -4.949 -17.621 732 HZ1 LYS 96 1HZ LYS 96 -10.919 -2.684 -18.362 733 HZ2 LYS 96 2HZ LYS 96 -10.707 -2.743 -16.727 734 HZ3 LYS 96 3HZ LYS 96 -9.416 -2.474 -17.718 735 H ASN 97 H ASN 97 -5.136 -3.117 -14.199 736 HA ASN 97 HA ASN 97 -5.454 -0.680 -15.663 737 HB2 ASN 97 1HB ASN 97 -4.404 -1.316 -12.898 738 HB3 ASN 97 2HB ASN 97 -4.451 0.330 -13.515 739 HD21 ASN 97 1HD2 ASN 97 -7.556 -0.441 -11.597 740 HD22 ASN 97 2HD2 ASN 97 -5.861 -0.558 -11.261 741 H LYS 98 H LYS 98 -2.602 -2.520 -14.685 742 HA LYS 98 HA LYS 98 -0.657 -0.566 -15.411 743 HB2 LYS 98 1HB LYS 98 -0.552 -3.603 -15.338 744 HB3 LYS 98 2HB LYS 98 0.851 -2.606 -15.700 745 HG2 LYS 98 1HG LYS 98 0.674 -1.530 -13.493 746 HG3 LYS 98 2HG LYS 98 -0.754 -2.509 -13.129 747 HD2 LYS 98 1HD LYS 98 0.628 -4.572 -13.434 748 HD3 LYS 98 2HD LYS 98 2.050 -3.547 -13.682 749 HE2 LYS 98 1HE LYS 98 1.779 -2.592 -11.432 750 HE3 LYS 98 2HE LYS 98 0.320 -3.555 -11.180 751 HZ1 LYS 98 1HZ LYS 98 2.231 -4.569 -10.175 752 HZ2 LYS 98 2HZ LYS 98 1.662 -5.534 -11.386 753 HZ3 LYS 98 3HZ LYS 98 3.025 -4.634 -11.619 754 H GLU 99 H GLU 99 -2.275 -3.108 -17.295 755 HA GLU 99 HA GLU 99 -0.786 -2.617 -19.707 756 HB2 GLU 99 1HB GLU 99 -3.493 -3.911 -19.207 757 HB3 GLU 99 2HB GLU 99 -2.735 -3.840 -20.791 758 HG2 GLU 99 1HG GLU 99 -1.592 -5.198 -18.341 759 HG3 GLU 99 2HG GLU 99 -2.388 -5.995 -19.696 760 H GLU 100 H GLU 100 -3.774 -1.297 -18.352 761 HA GLU 100 HA GLU 100 -4.481 0.260 -20.665 762 HB2 GLU 100 1HB GLU 100 -5.141 0.579 -17.712 763 HB3 GLU 100 2HB GLU 100 -5.813 1.607 -18.969 764 HG2 GLU 100 1HG GLU 100 -6.861 -0.333 -20.029 765 HG3 GLU 100 2HG GLU 100 -6.148 -1.396 -18.819 766 H LEU 101 H LEU 101 -2.471 0.887 -17.805 767 HA LEU 101 HA LEU 101 -1.851 3.602 -18.385 768 HB2 LEU 101 1HB LEU 101 -0.336 1.395 -16.969 769 HB3 LEU 101 2HB LEU 101 0.322 3.026 -17.132 770 HG LEU 101 HG LEU 101 -2.335 2.418 -15.795 771 HD11 LEU 101 1HD1 LEU 101 -1.118 2.679 -13.679 772 HD12 LEU 101 2HD1 LEU 101 -0.521 1.288 -14.614 773 HD13 LEU 101 3HD1 LEU 101 0.414 2.802 -14.575 774 HD21 LEU 101 1HD2 LEU 101 -2.013 4.692 -14.881 775 HD22 LEU 101 2HD2 LEU 101 -0.493 4.845 -15.794 776 HD23 LEU 101 3HD2 LEU 101 -2.042 4.715 -16.661 777 H LYS 102 H LYS 102 -0.466 0.555 -19.554 778 HA LYS 102 HA LYS 102 1.724 1.704 -20.983 779 HB2 LYS 102 1HB LYS 102 0.150 -0.863 -21.396 780 HB3 LYS 102 2HB LYS 102 1.561 -0.441 -22.357 781 HG2 LYS 102 1HG LYS 102 2.963 -0.427 -20.351 782 HG3 LYS 102 2HG LYS 102 1.551 -0.771 -19.343 783 HD2 LYS 102 1HD LYS 102 1.209 -2.900 -20.609 784 HD3 LYS 102 2HD LYS 102 2.688 -2.562 -21.522 785 HE2 LYS 102 1HE LYS 102 4.004 -2.598 -19.449 786 HE3 LYS 102 2HE LYS 102 2.539 -2.856 -18.498 787 HZ1 LYS 102 1HZ LYS 102 3.706 -4.898 -18.894 788 HZ2 LYS 102 2HZ LYS 102 2.235 -4.944 -19.641 789 HZ3 LYS 102 3HZ LYS 102 3.605 -4.703 -20.529 790 H SER 103 H SER 103 -1.640 1.035 -21.913 791 HA SER 103 HA SER 103 -1.214 1.856 -24.668 792 HB2 SER 103 1HB SER 103 -3.587 1.554 -24.922 793 HB3 SER 103 2HB SER 103 -2.968 0.232 -23.943 794 HG SER 103 HG SER 103 -3.506 1.902 -22.181 795 H LEU 104 H LEU 104 -2.209 3.412 -21.683 796 HA LEU 104 HA LEU 104 -3.165 5.832 -22.966 797 HB2 LEU 104 1HB LEU 104 -3.912 5.153 -20.719 798 HB3 LEU 104 2HB LEU 104 -2.261 5.306 -20.111 799 HG LEU 104 HG LEU 104 -2.327 7.739 -20.538 800 HD11 LEU 104 1HD1 LEU 104 -4.446 8.800 -21.175 801 HD12 LEU 104 2HD1 LEU 104 -3.847 7.712 -22.449 802 HD13 LEU 104 3HD1 LEU 104 -5.184 7.196 -21.393 803 HD21 LEU 104 1HD2 LEU 104 -3.964 8.280 -18.767 804 HD22 LEU 104 2HD2 LEU 104 -4.696 6.667 -18.951 805 HD23 LEU 104 3HD2 LEU 104 -3.027 6.824 -18.351 806 H GLY 105 H GLY 105 -0.131 4.840 -21.378 807 HA2 GLY 105 1HA GLY 105 2.015 5.670 -22.146 808 HA3 GLY 105 2HA GLY 105 1.230 7.126 -22.727 809 H THR 106 H THR 106 0.570 5.641 -19.585 810 HA THR 106 HA THR 106 1.822 8.031 -18.295 811 HB THR 106 HB THR 106 -0.684 6.511 -17.454 812 HG1 THR 106 HG1 THR 106 -0.173 9.025 -18.660 813 HG21 THR 106 1HG2 THR 106 -0.839 8.195 -15.663 814 HG22 THR 106 2HG2 THR 106 0.655 7.240 -15.510 815 HG23 THR 106 3HG2 THR 106 0.717 8.889 -16.175 Start of MODEL 10 1 H MET 1 1H MET 1 2.191 0.822 2.728 2 HA MET 1 HA MET 1 2.085 2.771 4.068 3 HB2 MET 1 1HB MET 1 4.777 2.160 2.791 4 HB3 MET 1 2HB MET 1 4.572 3.112 4.254 5 HG2 MET 1 1HG MET 1 3.595 1.175 5.401 6 HG3 MET 1 2HG MET 1 3.739 0.214 3.928 7 HE1 MET 1 1HE MET 1 7.262 1.704 6.521 8 HE2 MET 1 2HE MET 1 6.191 2.829 5.649 9 HE3 MET 1 3HE MET 1 5.543 1.822 6.968 10 H ALA 2 H ALA 2 0.788 4.311 2.890 11 HA ALA 2 HA ALA 2 1.870 6.033 0.903 12 HB1 ALA 2 1HB ALA 2 0.002 7.544 1.491 13 HB2 ALA 2 2HB ALA 2 -0.539 5.856 1.337 14 HB3 ALA 2 3HB ALA 2 -0.313 6.574 2.949 15 H GLY 3 H GLY 3 3.426 7.461 0.990 16 HA2 GLY 3 1HA GLY 3 4.176 9.588 2.073 17 HA3 GLY 3 2HA GLY 3 3.989 8.786 3.621 18 H LEU 4 H LEU 4 5.044 6.271 2.037 19 HA LEU 4 HA LEU 4 7.890 6.826 2.621 20 HB2 LEU 4 1HB LEU 4 6.889 4.785 3.543 21 HB3 LEU 4 2HB LEU 4 6.429 4.254 1.923 22 HG LEU 4 HG LEU 4 8.846 4.090 1.325 23 HD11 LEU 4 1HD1 LEU 4 10.511 4.203 3.125 24 HD12 LEU 4 2HD1 LEU 4 9.694 5.766 2.885 25 HD13 LEU 4 3HD1 LEU 4 9.247 4.730 4.261 26 HD21 LEU 4 1HD2 LEU 4 9.264 2.069 2.685 27 HD22 LEU 4 2HD2 LEU 4 7.982 2.565 3.816 28 HD23 LEU 4 3HD2 LEU 4 7.571 2.134 2.139 29 H THR 5 H THR 5 8.964 7.781 1.029 30 HA THR 5 HA THR 5 8.323 7.532 -1.746 31 HB THR 5 HB THR 5 10.951 8.363 -0.442 32 HG1 THR 5 HG1 THR 5 8.729 9.896 -1.383 33 HG21 THR 5 1HG2 THR 5 11.373 9.509 -2.582 34 HG22 THR 5 2HG2 THR 5 11.208 7.754 -2.822 35 HG23 THR 5 3HG2 THR 5 9.864 8.840 -3.243 36 H VAL 6 H VAL 6 8.817 6.095 -3.246 37 HA VAL 6 HA VAL 6 10.507 3.796 -2.420 38 HB VAL 6 HB VAL 6 8.603 4.122 -4.779 39 HG11 VAL 6 1HG1 VAL 6 8.872 1.708 -5.073 40 HG12 VAL 6 2HG1 VAL 6 10.406 2.581 -5.294 41 HG13 VAL 6 3HG1 VAL 6 10.099 1.688 -3.785 42 HG21 VAL 6 1HG2 VAL 6 7.163 2.573 -3.495 43 HG22 VAL 6 2HG2 VAL 6 8.340 2.588 -2.160 44 HG23 VAL 6 3HG2 VAL 6 7.461 4.075 -2.589 45 H ARG 7 H ARG 7 12.372 3.260 -3.395 46 HA ARG 7 HA ARG 7 13.828 5.301 -4.722 47 HB2 ARG 7 1HB ARG 7 14.313 2.318 -4.482 48 HB3 ARG 7 2HB ARG 7 15.458 3.414 -5.239 49 HG2 ARG 7 1HG ARG 7 15.716 4.643 -3.144 50 HG3 ARG 7 2HG ARG 7 14.509 3.589 -2.368 51 HD2 ARG 7 1HD ARG 7 15.931 1.664 -2.772 52 HD3 ARG 7 2HD ARG 7 17.137 2.717 -3.547 53 HE ARG 7 HE ARG 7 16.668 3.801 -1.029 54 HH11 ARG 7 1HH1 ARG 7 17.849 0.767 -2.348 55 HH12 ARG 7 2HH1 ARG 7 18.883 0.429 -0.978 56 HH21 ARG 7 1HH2 ARG 7 18.014 3.352 0.744 57 HH22 ARG 7 2HH2 ARG 7 18.977 1.892 0.773 58 H ASP 8 H ASP 8 12.230 2.373 -5.986 59 HA ASP 8 HA ASP 8 12.934 2.908 -8.734 60 HB2 ASP 8 1HB ASP 8 12.277 0.654 -7.870 61 HB3 ASP 8 2HB ASP 8 10.640 1.243 -7.619 62 HA PRO 9 HA PRO 9 10.251 6.392 -9.172 63 HB2 PRO 9 1HB PRO 9 10.931 5.771 -12.075 64 HB3 PRO 9 2HB PRO 9 10.917 7.334 -11.248 65 HG2 PRO 9 1HG PRO 9 13.265 6.167 -11.665 66 HG3 PRO 9 2HG PRO 9 12.953 6.897 -10.088 67 HD2 PRO 9 1HD PRO 9 12.818 3.968 -10.905 68 HD3 PRO 9 2HD PRO 9 13.512 4.702 -9.404 69 H ALA 10 H ALA 10 10.106 3.418 -11.135 70 HA ALA 10 HA ALA 10 7.561 3.921 -12.319 71 HB1 ALA 10 1HB ALA 10 7.565 1.504 -12.841 72 HB2 ALA 10 2HB ALA 10 9.131 2.262 -13.216 73 HB3 ALA 10 3HB ALA 10 8.948 1.278 -11.746 74 H VAL 11 H VAL 11 8.501 2.144 -9.381 75 HA VAL 11 HA VAL 11 5.799 1.338 -8.754 76 HB VAL 11 HB VAL 11 8.302 1.539 -7.027 77 HG11 VAL 11 1HG1 VAL 11 7.125 0.098 -5.439 78 HG12 VAL 11 2HG1 VAL 11 6.317 1.672 -5.636 79 HG13 VAL 11 3HG1 VAL 11 5.647 0.222 -6.423 80 HG21 VAL 11 1HG2 VAL 11 8.359 -0.915 -7.338 81 HG22 VAL 11 2HG2 VAL 11 6.922 -0.814 -8.383 82 HG23 VAL 11 3HG2 VAL 11 8.452 -0.066 -8.899 83 H ASP 12 H ASP 12 7.926 3.991 -7.683 84 HA ASP 12 HA ASP 12 6.234 5.062 -5.688 85 HB2 ASP 12 1HB ASP 12 8.642 5.719 -6.207 86 HB3 ASP 12 2HB ASP 12 8.022 6.677 -7.544 87 H ARG 13 H ARG 13 6.394 5.774 -9.182 88 HA ARG 13 HA ARG 13 4.278 7.718 -9.128 89 HB2 ARG 13 1HB ARG 13 5.400 6.009 -11.371 90 HB3 ARG 13 2HB ARG 13 4.186 7.255 -11.613 91 HG2 ARG 13 1HG ARG 13 5.788 8.934 -10.693 92 HG3 ARG 13 2HG ARG 13 7.017 7.648 -10.619 93 HD2 ARG 13 1HD ARG 13 7.387 8.788 -12.623 94 HD3 ARG 13 2HD ARG 13 6.564 7.276 -13.070 95 HE ARG 13 HE ARG 13 4.768 9.516 -12.667 96 HH11 ARG 13 1HH1 ARG 13 6.835 7.842 -14.961 97 HH12 ARG 13 2HH1 ARG 13 5.978 8.442 -16.363 98 HH21 ARG 13 1HH2 ARG 13 3.663 10.289 -14.494 99 HH22 ARG 13 2HH2 ARG 13 4.182 9.827 -16.099 100 H SER 14 H SER 14 4.383 4.211 -9.632 101 HA SER 14 HA SER 14 1.678 3.900 -10.482 102 HB2 SER 14 1HB SER 14 3.542 2.002 -9.021 103 HB3 SER 14 2HB SER 14 1.985 1.534 -9.686 104 HG SER 14 HG SER 14 4.278 2.451 -11.003 105 H LEU 15 H LEU 15 3.174 4.054 -7.278 106 HA LEU 15 HA LEU 15 0.777 3.312 -5.846 107 HB2 LEU 15 1HB LEU 15 3.313 4.753 -5.004 108 HB3 LEU 15 2HB LEU 15 2.017 4.327 -3.882 109 HG LEU 15 HG LEU 15 3.611 2.325 -5.521 110 HD11 LEU 15 1HD1 LEU 15 4.712 1.801 -3.391 111 HD12 LEU 15 2HD1 LEU 15 5.014 3.482 -3.891 112 HD13 LEU 15 3HD1 LEU 15 3.831 3.134 -2.608 113 HD21 LEU 15 1HD2 LEU 15 2.545 0.692 -4.002 114 HD22 LEU 15 2HD2 LEU 15 1.632 2.010 -3.226 115 HD23 LEU 15 3HD2 LEU 15 1.323 1.596 -4.929 116 H ARG 16 H ARG 16 2.229 6.376 -6.873 117 HA ARG 16 HA ARG 16 0.251 7.966 -5.425 118 HB2 ARG 16 1HB ARG 16 2.430 8.634 -7.418 119 HB3 ARG 16 2HB ARG 16 1.300 9.846 -6.832 120 HG2 ARG 16 1HG ARG 16 2.049 9.338 -4.499 121 HG3 ARG 16 2HG ARG 16 3.285 8.259 -5.190 122 HD2 ARG 16 1HD ARG 16 3.030 11.101 -6.086 123 HD3 ARG 16 2HD ARG 16 3.923 10.666 -4.610 124 HE ARG 16 HE ARG 16 5.473 9.432 -5.935 125 HH11 ARG 16 1HH1 ARG 16 3.120 11.248 -7.807 126 HH12 ARG 16 2HH1 ARG 16 4.076 11.216 -9.272 127 HH21 ARG 16 1HH2 ARG 16 6.704 9.398 -7.843 128 HH22 ARG 16 2HH2 ARG 16 6.105 10.170 -9.293 129 H SER 17 H SER 17 0.507 6.451 -8.525 130 HA SER 17 HA SER 17 -1.635 8.074 -9.711 131 HB2 SER 17 1HB SER 17 0.099 7.187 -11.166 132 HB3 SER 17 2HB SER 17 -0.223 5.548 -10.622 133 HG SER 17 HG SER 17 -2.442 6.029 -11.364 134 H VAL 18 H VAL 18 -3.732 7.728 -9.544 135 HA VAL 18 HA VAL 18 -4.621 5.079 -8.482 136 HB VAL 18 HB VAL 18 -6.605 6.236 -7.618 137 HG11 VAL 18 1HG1 VAL 18 -5.540 7.611 -5.897 138 HG12 VAL 18 2HG1 VAL 18 -4.654 6.094 -6.180 139 HG13 VAL 18 3HG1 VAL 18 -4.032 7.625 -6.842 140 HG21 VAL 18 1HG2 VAL 18 -6.769 8.701 -7.756 141 HG22 VAL 18 2HG2 VAL 18 -5.302 8.741 -8.761 142 HG23 VAL 18 3HG2 VAL 18 -6.781 7.964 -9.375 143 H PHE 19 H PHE 19 -6.512 4.129 -9.338 144 HA PHE 19 HA PHE 19 -7.105 4.932 -12.126 145 HB2 PHE 19 1HB PHE 19 -6.675 2.555 -11.713 146 HB3 PHE 19 2HB PHE 19 -7.935 2.503 -10.490 147 HD1 PHE 19 HD1 PHE 19 -7.479 3.395 -14.095 148 HD2 PHE 19 HD2 PHE 19 -10.027 1.749 -11.086 149 HE1 PHE 19 HE1 PHE 19 -9.136 2.796 -15.829 150 HE2 PHE 19 HE2 PHE 19 -11.685 1.146 -12.818 151 HZ PHE 19 HZ PHE 19 -11.239 1.671 -15.190 152 H VAL 20 H VAL 20 -8.847 6.012 -12.716 153 HA VAL 20 HA VAL 20 -11.008 6.351 -10.678 154 HB VAL 20 HB VAL 20 -10.162 8.276 -12.886 155 HG11 VAL 20 1HG1 VAL 20 -11.675 9.853 -11.785 156 HG12 VAL 20 2HG1 VAL 20 -12.534 8.414 -12.385 157 HG13 VAL 20 3HG1 VAL 20 -12.176 8.578 -10.649 158 HG21 VAL 20 1HG2 VAL 20 -9.321 9.670 -11.022 159 HG22 VAL 20 2HG2 VAL 20 -9.748 8.383 -9.869 160 HG23 VAL 20 3HG2 VAL 20 -8.479 8.104 -11.086 161 H GLY 21 H GLY 21 -12.878 5.457 -11.167 162 HA2 GLY 21 1HA GLY 21 -13.527 5.011 -14.060 163 HA3 GLY 21 2HA GLY 21 -14.019 3.930 -12.770 164 H ASN 22 H ASN 22 -16.089 4.525 -14.109 165 HA ASN 22 HA ASN 22 -18.177 5.495 -14.090 166 HB2 ASN 22 1HB ASN 22 -17.334 6.275 -11.279 167 HB3 ASN 22 2HB ASN 22 -18.972 6.394 -11.907 168 HD21 ASN 22 1HD2 ASN 22 -18.497 3.208 -10.015 169 HD22 ASN 22 2HD2 ASN 22 -18.205 4.878 -9.661 170 H ILE 23 H ILE 23 -16.215 6.971 -15.361 171 HA ILE 23 HA ILE 23 -16.814 9.778 -14.613 172 HB ILE 23 HB ILE 23 -14.916 8.622 -16.700 173 HG12 ILE 23 1HG1 ILE 23 -14.281 10.021 -14.095 174 HG13 ILE 23 2HG1 ILE 23 -14.330 8.275 -14.279 175 HG21 ILE 23 1HG2 ILE 23 -14.091 10.931 -16.916 176 HG22 ILE 23 2HG2 ILE 23 -15.804 10.818 -17.382 177 HG23 ILE 23 3HG2 ILE 23 -15.356 11.492 -15.797 178 HD11 ILE 23 1HD1 ILE 23 -12.051 9.109 -14.428 179 HD12 ILE 23 2HD1 ILE 23 -12.557 8.391 -15.976 180 HD13 ILE 23 3HD1 ILE 23 -12.506 10.160 -15.789 181 HA PRO 24 HA PRO 24 -19.959 9.802 -17.695 182 HB2 PRO 24 1HB PRO 24 -20.747 12.405 -17.392 183 HB3 PRO 24 2HB PRO 24 -21.141 11.166 -16.194 184 HG2 PRO 24 1HG PRO 24 -18.860 13.189 -16.171 185 HG3 PRO 24 2HG PRO 24 -19.992 12.802 -14.871 186 HD2 PRO 24 1HD PRO 24 -17.502 11.684 -14.978 187 HD3 PRO 24 2HD PRO 24 -18.928 10.770 -14.340 188 H TYR 25 H TYR 25 -20.210 10.633 -19.811 189 HA TYR 25 HA TYR 25 -17.739 11.278 -21.110 190 HB2 TYR 25 1HB TYR 25 -18.999 11.285 -23.151 191 HB3 TYR 25 2HB TYR 25 -19.674 10.017 -22.137 192 HD1 TYR 25 HD1 TYR 25 -20.247 13.301 -23.656 193 HD2 TYR 25 HD2 TYR 25 -21.885 10.240 -21.134 194 HE1 TYR 25 HE1 TYR 25 -22.493 14.303 -23.897 195 HE2 TYR 25 HE2 TYR 25 -24.131 11.242 -21.377 196 HH TYR 25 HH TYR 25 -24.620 14.236 -23.220 197 H GLU 26 H GLU 26 -20.161 13.222 -19.630 198 HA GLU 26 HA GLU 26 -19.609 15.631 -21.159 199 HB2 GLU 26 1HB GLU 26 -20.996 15.180 -18.487 200 HB3 GLU 26 2HB GLU 26 -20.881 16.745 -19.278 201 HG2 GLU 26 1HG GLU 26 -22.124 15.863 -21.211 202 HG3 GLU 26 2HG GLU 26 -22.238 14.293 -20.419 203 H ALA 27 H ALA 27 -18.062 13.973 -18.581 204 HA ALA 27 HA ALA 27 -16.757 16.415 -17.565 205 HB1 ALA 27 1HB ALA 27 -15.725 14.890 -15.914 206 HB2 ALA 27 2HB ALA 27 -17.497 14.727 -15.945 207 HB3 ALA 27 3HB ALA 27 -16.477 13.503 -16.736 208 H THR 28 H THR 28 -14.512 16.736 -17.516 209 HA THR 28 HA THR 28 -12.880 14.916 -19.200 210 HB THR 28 HB THR 28 -13.644 16.828 -20.653 211 HG1 THR 28 HG1 THR 28 -11.771 16.471 -21.550 212 HG21 THR 28 1HG2 THR 28 -12.674 19.053 -20.232 213 HG22 THR 28 2HG2 THR 28 -13.743 18.562 -18.896 214 HG23 THR 28 3HG2 THR 28 -11.977 18.466 -18.704 215 H GLU 29 H GLU 29 -10.497 16.110 -19.182 216 HA GLU 29 HA GLU 29 -9.633 15.415 -16.541 217 HB2 GLU 29 1HB GLU 29 -8.200 16.693 -18.898 218 HB3 GLU 29 2HB GLU 29 -7.384 16.292 -17.393 219 HG2 GLU 29 1HG GLU 29 -7.976 13.927 -17.689 220 HG3 GLU 29 2HG GLU 29 -8.820 14.321 -19.185 221 H GLU 30 H GLU 30 -10.193 18.501 -18.169 222 HA GLU 30 HA GLU 30 -9.031 20.165 -16.153 223 HB2 GLU 30 1HB GLU 30 -11.241 20.678 -18.179 224 HB3 GLU 30 2HB GLU 30 -10.583 21.927 -17.132 225 HG2 GLU 30 1HG GLU 30 -8.373 21.640 -18.120 226 HG3 GLU 30 2HG GLU 30 -8.967 20.313 -19.117 227 H GLN 31 H GLN 31 -12.315 18.871 -16.602 228 HA GLN 31 HA GLN 31 -13.405 20.164 -14.269 229 HB2 GLN 31 1HB GLN 31 -14.288 17.709 -15.834 230 HB3 GLN 31 2HB GLN 31 -15.209 18.395 -14.504 231 HG2 GLN 31 1HG GLN 31 -15.480 20.486 -15.716 232 HG3 GLN 31 2HG GLN 31 -14.476 19.853 -17.051 233 HE21 GLN 31 1HE2 GLN 31 -17.273 18.671 -18.708 234 HE22 GLN 31 2HE2 GLN 31 -15.744 19.483 -18.747 235 H LEU 32 H LEU 32 -11.942 16.979 -14.862 236 HA LEU 32 HA LEU 32 -12.341 15.971 -12.213 237 HB2 LEU 32 1HB LEU 32 -10.266 15.330 -14.335 238 HB3 LEU 32 2HB LEU 32 -10.422 14.437 -12.819 239 HG LEU 32 HG LEU 32 -12.603 14.658 -14.923 240 HD11 LEU 32 1HD1 LEU 32 -12.011 12.336 -15.457 241 HD12 LEU 32 2HD1 LEU 32 -10.656 13.448 -15.766 242 HD13 LEU 32 3HD1 LEU 32 -10.651 12.420 -14.313 243 HD21 LEU 32 1HD2 LEU 32 -13.633 12.836 -13.608 244 HD22 LEU 32 2HD2 LEU 32 -12.296 12.926 -12.436 245 HD23 LEU 32 3HD2 LEU 32 -13.415 14.298 -12.616 246 H LYS 33 H LYS 33 -9.829 17.973 -13.687 247 HA LYS 33 HA LYS 33 -7.921 17.916 -11.611 248 HB2 LYS 33 1HB LYS 33 -7.544 19.009 -13.797 249 HB3 LYS 33 2HB LYS 33 -8.721 20.251 -13.394 250 HG2 LYS 33 1HG LYS 33 -7.303 21.044 -11.560 251 HG3 LYS 33 2HG LYS 33 -6.134 19.758 -11.892 252 HD2 LYS 33 1HD LYS 33 -5.747 20.673 -14.149 253 HD3 LYS 33 2HD LYS 33 -6.942 21.943 -13.848 254 HE2 LYS 33 1HE LYS 33 -5.565 22.791 -11.973 255 HE3 LYS 33 2HE LYS 33 -4.370 21.527 -12.277 256 HZ1 LYS 33 1HZ LYS 33 -3.744 23.595 -13.287 257 HZ2 LYS 33 2HZ LYS 33 -4.019 22.466 -14.458 258 HZ3 LYS 33 3HZ LYS 33 -5.135 23.647 -14.173 259 H ASP 34 H ASP 34 -10.689 20.144 -12.033 260 HA ASP 34 HA ASP 34 -10.340 21.584 -9.627 261 HB2 ASP 34 1HB ASP 34 -12.834 20.890 -11.218 262 HB3 ASP 34 2HB ASP 34 -12.877 21.930 -9.801 263 H ILE 35 H ILE 35 -12.140 18.573 -10.262 264 HA ILE 35 HA ILE 35 -13.143 18.273 -7.601 265 HB ILE 35 HB ILE 35 -12.614 16.246 -9.808 266 HG12 ILE 35 1HG1 ILE 35 -15.230 17.353 -8.778 267 HG13 ILE 35 2HG1 ILE 35 -14.354 18.046 -10.134 268 HG21 ILE 35 1HG2 ILE 35 -13.994 14.690 -8.491 269 HG22 ILE 35 2HG2 ILE 35 -12.511 15.131 -7.612 270 HG23 ILE 35 3HG2 ILE 35 -14.065 15.871 -7.163 271 HD11 ILE 35 1HD1 ILE 35 -16.116 16.556 -10.898 272 HD12 ILE 35 2HD1 ILE 35 -14.516 15.915 -11.345 273 HD13 ILE 35 3HD1 ILE 35 -15.406 15.213 -9.973 274 H PHE 36 H PHE 36 -10.175 17.124 -9.195 275 HA PHE 36 HA PHE 36 -9.476 15.397 -6.969 276 HB2 PHE 36 1HB PHE 36 -7.906 16.330 -9.402 277 HB3 PHE 36 2HB PHE 36 -7.293 15.175 -8.229 278 HD1 PHE 36 HD1 PHE 36 -7.321 14.310 -10.917 279 HD2 PHE 36 HD2 PHE 36 -10.553 14.344 -8.123 280 HE1 PHE 36 HE1 PHE 36 -8.412 12.471 -12.158 281 HE2 PHE 36 HE2 PHE 36 -11.646 12.504 -9.360 282 HZ PHE 36 HZ PHE 36 -10.575 11.569 -11.380 283 H SER 37 H SER 37 -8.969 18.724 -7.764 284 HA SER 37 HA SER 37 -6.588 19.172 -6.230 285 HB2 SER 37 1HB SER 37 -7.096 21.494 -6.439 286 HB3 SER 37 2HB SER 37 -7.582 20.728 -7.943 287 HG SER 37 HG SER 37 -9.688 20.660 -7.155 288 H GLU 38 H GLU 38 -9.756 18.374 -5.299 289 HA GLU 38 HA GLU 38 -9.995 19.893 -2.889 290 HB2 GLU 38 1HB GLU 38 -11.200 17.234 -3.742 291 HB3 GLU 38 2HB GLU 38 -11.623 18.042 -2.239 292 HG2 GLU 38 1HG GLU 38 -12.477 19.962 -3.465 293 HG3 GLU 38 2HG GLU 38 -11.963 19.250 -4.992 294 H VAL 39 H VAL 39 -8.240 16.983 -3.696 295 HA VAL 39 HA VAL 39 -7.727 16.487 -0.800 296 HB VAL 39 HB VAL 39 -7.013 14.226 -1.504 297 HG11 VAL 39 1HG1 VAL 39 -9.202 13.370 -2.186 298 HG12 VAL 39 2HG1 VAL 39 -9.335 14.588 -0.895 299 HG13 VAL 39 3HG1 VAL 39 -9.726 15.025 -2.576 300 HG21 VAL 39 1HG2 VAL 39 -7.364 13.513 -3.847 301 HG22 VAL 39 2HG2 VAL 39 -7.827 15.175 -4.282 302 HG23 VAL 39 3HG2 VAL 39 -6.166 14.825 -3.747 303 H GLY 40 H GLY 40 -6.267 17.376 -3.838 304 HA2 GLY 40 1HA GLY 40 -4.163 18.777 -2.779 305 HA3 GLY 40 2HA GLY 40 -3.520 17.146 -2.821 306 HA PRO 41 HA PRO 41 -3.117 19.493 -6.897 307 HB2 PRO 41 1HB PRO 41 -0.196 18.880 -6.368 308 HB3 PRO 41 2HB PRO 41 -0.924 20.346 -7.036 309 HG2 PRO 41 1HG PRO 41 -0.103 20.372 -4.498 310 HG3 PRO 41 2HG PRO 41 -1.643 21.131 -4.912 311 HD2 PRO 41 1HD PRO 41 -1.125 18.380 -3.706 312 HD3 PRO 41 2HD PRO 41 -2.361 19.615 -3.234 313 H VAL 42 H VAL 42 -2.769 18.502 -8.908 314 HA VAL 42 HA VAL 42 -2.042 15.607 -8.790 315 HB VAL 42 HB VAL 42 -3.708 17.113 -10.853 316 HG11 VAL 42 1HG1 VAL 42 -4.198 14.900 -11.774 317 HG12 VAL 42 2HG1 VAL 42 -2.464 15.289 -11.861 318 HG13 VAL 42 3HG1 VAL 42 -3.063 14.167 -10.615 319 HG21 VAL 42 1HG2 VAL 42 -5.584 15.795 -9.921 320 HG22 VAL 42 2HG2 VAL 42 -4.487 15.098 -8.705 321 HG23 VAL 42 3HG2 VAL 42 -4.852 16.839 -8.680 322 H VAL 43 H VAL 43 -0.363 14.856 -9.918 323 HA VAL 43 HA VAL 43 1.441 16.755 -11.169 324 HB VAL 43 HB VAL 43 1.487 13.714 -10.977 325 HG11 VAL 43 1HG1 VAL 43 3.825 13.858 -11.683 326 HG12 VAL 43 2HG1 VAL 43 2.711 14.428 -12.948 327 HG13 VAL 43 3HG1 VAL 43 3.629 15.602 -11.974 328 HG21 VAL 43 1HG2 VAL 43 3.243 14.146 -9.288 329 HG22 VAL 43 2HG2 VAL 43 3.020 15.899 -9.508 330 HG23 VAL 43 3HG2 VAL 43 1.704 14.912 -8.827 331 H SER 44 H SER 44 -0.558 14.026 -12.336 332 HA SER 44 HA SER 44 -0.520 15.182 -15.050 333 HB2 SER 44 1HB SER 44 1.512 13.811 -14.998 334 HB3 SER 44 2HB SER 44 0.594 12.429 -14.420 335 HG SER 44 HG SER 44 -0.608 12.512 -16.318 336 H PHE 45 H PHE 45 -2.236 14.601 -16.299 337 HA PHE 45 HA PHE 45 -4.204 12.757 -15.015 338 HB2 PHE 45 1HB PHE 45 -4.629 14.992 -17.039 339 HB3 PHE 45 2HB PHE 45 -5.891 13.913 -16.465 340 HD1 PHE 45 HD1 PHE 45 -3.533 16.574 -15.451 341 HD2 PHE 45 HD2 PHE 45 -6.941 14.240 -14.362 342 HE1 PHE 45 HE1 PHE 45 -3.958 18.088 -13.543 343 HE2 PHE 45 HE2 PHE 45 -7.371 15.753 -12.455 344 HZ PHE 45 HZ PHE 45 -5.877 17.677 -12.045 345 H ARG 46 H ARG 46 -4.959 11.010 -16.058 346 HA ARG 46 HA ARG 46 -4.156 10.647 -18.906 347 HB2 ARG 46 1HB ARG 46 -3.857 8.620 -16.665 348 HB3 ARG 46 2HB ARG 46 -3.718 8.228 -18.372 349 HG2 ARG 46 1HG ARG 46 -1.837 9.929 -18.495 350 HG3 ARG 46 2HG ARG 46 -1.898 9.977 -16.716 351 HD2 ARG 46 1HD ARG 46 -1.608 7.427 -18.271 352 HD3 ARG 46 2HD ARG 46 -0.224 8.416 -17.752 353 HE ARG 46 HE ARG 46 -1.683 8.066 -15.458 354 HH11 ARG 46 1HH1 ARG 46 -0.309 5.900 -17.858 355 HH12 ARG 46 2HH1 ARG 46 -0.052 4.598 -16.718 356 HH21 ARG 46 1HH2 ARG 46 -1.345 6.369 -13.988 357 HH22 ARG 46 2HH2 ARG 46 -0.638 4.862 -14.528 358 H LEU 47 H LEU 47 -6.515 11.498 -18.818 359 HA LEU 47 HA LEU 47 -8.539 9.498 -18.225 360 HB2 LEU 47 1HB LEU 47 -9.045 11.899 -18.147 361 HB3 LEU 47 2HB LEU 47 -8.653 12.057 -19.862 362 HG LEU 47 HG LEU 47 -10.577 10.525 -20.381 363 HD11 LEU 47 1HD1 LEU 47 -12.228 10.121 -18.610 364 HD12 LEU 47 2HD1 LEU 47 -10.663 9.363 -18.235 365 HD13 LEU 47 3HD1 LEU 47 -11.138 10.873 -17.422 366 HD21 LEU 47 1HD2 LEU 47 -12.291 12.250 -19.939 367 HD22 LEU 47 2HD2 LEU 47 -11.202 13.033 -18.769 368 HD23 LEU 47 3HD2 LEU 47 -10.770 12.988 -20.495 369 H VAL 48 H VAL 48 -9.209 7.869 -19.428 370 HA VAL 48 HA VAL 48 -8.118 7.559 -22.146 371 HB VAL 48 HB VAL 48 -9.896 5.723 -20.483 372 HG11 VAL 48 1HG1 VAL 48 -9.266 3.990 -22.091 373 HG12 VAL 48 2HG1 VAL 48 -10.164 5.320 -22.861 374 HG13 VAL 48 3HG1 VAL 48 -8.399 5.206 -23.059 375 HG21 VAL 48 1HG2 VAL 48 -7.808 4.442 -20.135 376 HG22 VAL 48 2HG2 VAL 48 -6.901 5.678 -21.040 377 HG23 VAL 48 3HG2 VAL 48 -7.665 6.094 -19.487 378 H TYR 49 H TYR 49 -9.162 8.009 -23.960 379 HA TYR 49 HA TYR 49 -12.114 8.153 -23.965 380 HB2 TYR 49 1HB TYR 49 -12.178 10.427 -24.825 381 HB3 TYR 49 2HB TYR 49 -11.349 10.420 -23.274 382 HD1 TYR 49 HD1 TYR 49 -11.020 10.952 -26.873 383 HD2 TYR 49 HD2 TYR 49 -8.927 10.775 -23.132 384 HE1 TYR 49 HE1 TYR 49 -9.085 12.096 -27.901 385 HE2 TYR 49 HE2 TYR 49 -6.992 11.919 -24.160 386 HH TYR 49 HH TYR 49 -6.156 12.827 -25.999 387 H ASP 50 H ASP 50 -13.039 8.349 -26.089 388 HA ASP 50 HA ASP 50 -11.623 6.771 -28.042 389 HB2 ASP 50 1HB ASP 50 -14.116 6.809 -27.789 390 HB3 ASP 50 2HB ASP 50 -14.133 8.459 -28.395 391 H ARG 51 H ARG 51 -10.212 7.355 -29.525 392 HA ARG 51 HA ARG 51 -9.310 10.094 -29.601 393 HB2 ARG 51 1HB ARG 51 -8.581 7.654 -31.249 394 HB3 ARG 51 2HB ARG 51 -7.803 9.217 -31.446 395 HG2 ARG 51 1HG ARG 51 -6.995 9.135 -29.139 396 HG3 ARG 51 2HG ARG 51 -7.818 7.575 -28.901 397 HD2 ARG 51 1HD ARG 51 -6.459 6.594 -30.659 398 HD3 ARG 51 2HD ARG 51 -5.632 8.152 -30.887 399 HE ARG 51 HE ARG 51 -5.391 7.503 -28.183 400 HH11 ARG 51 1HH1 ARG 51 -4.402 6.169 -31.278 401 HH12 ARG 51 2HH1 ARG 51 -2.960 5.416 -30.635 402 HH21 ARG 51 1HH2 ARG 51 -3.516 6.522 -27.359 403 HH22 ARG 51 2HH2 ARG 51 -2.457 5.616 -28.417 404 H GLU 52 H GLU 52 -11.527 8.198 -31.504 405 HA GLU 52 HA GLU 52 -11.312 9.853 -33.890 406 HB2 GLU 52 1HB GLU 52 -11.957 7.466 -34.013 407 HB3 GLU 52 2HB GLU 52 -13.404 7.796 -33.071 408 HG2 GLU 52 1HG GLU 52 -14.014 7.620 -35.370 409 HG3 GLU 52 2HG GLU 52 -14.205 9.300 -34.873 410 H THR 53 H THR 53 -13.673 9.500 -31.237 411 HA THR 53 HA THR 53 -15.176 11.806 -32.369 412 HB THR 53 HB THR 53 -17.024 11.092 -30.887 413 HG1 THR 53 HG1 THR 53 -15.315 8.914 -30.183 414 HG21 THR 53 1HG2 THR 53 -17.532 8.945 -31.983 415 HG22 THR 53 2HG2 THR 53 -16.851 10.108 -33.146 416 HG23 THR 53 3HG2 THR 53 -15.835 8.800 -32.496 417 H GLY 54 H GLY 54 -13.290 10.759 -29.622 418 HA2 GLY 54 1HA GLY 54 -12.196 12.292 -28.147 419 HA3 GLY 54 2HA GLY 54 -13.365 13.531 -28.565 420 H LYS 55 H LYS 55 -15.118 10.755 -28.147 421 HA LYS 55 HA LYS 55 -16.230 11.720 -25.647 422 HB2 LYS 55 1HB LYS 55 -17.605 10.662 -27.440 423 HB3 LYS 55 2HB LYS 55 -16.780 9.135 -27.158 424 HG2 LYS 55 1HG LYS 55 -17.677 9.046 -24.874 425 HG3 LYS 55 2HG LYS 55 -18.474 10.607 -25.119 426 HD2 LYS 55 1HD LYS 55 -19.804 9.641 -26.967 427 HD3 LYS 55 2HD LYS 55 -19.004 8.081 -26.728 428 HE2 LYS 55 1HE LYS 55 -19.896 7.993 -24.412 429 HE3 LYS 55 2HE LYS 55 -20.718 9.532 -24.677 430 HZ1 LYS 55 1HZ LYS 55 -22.184 7.681 -25.009 431 HZ2 LYS 55 2HZ LYS 55 -21.979 8.490 -26.432 432 HZ3 LYS 55 3HZ LYS 55 -21.212 7.051 -26.184 433 HA PRO 56 HA PRO 56 -13.411 9.686 -22.950 434 HB2 PRO 56 1HB PRO 56 -15.794 10.094 -21.102 435 HB3 PRO 56 2HB PRO 56 -14.083 10.422 -20.797 436 HG2 PRO 56 1HG PRO 56 -15.671 12.475 -21.372 437 HG3 PRO 56 2HG PRO 56 -14.079 12.396 -22.131 438 HD2 PRO 56 1HD PRO 56 -16.795 11.658 -23.290 439 HD3 PRO 56 2HD PRO 56 -15.428 12.551 -24.068 440 H LYS 57 H LYS 57 -13.167 7.578 -22.314 441 HA LYS 57 HA LYS 57 -15.258 5.677 -23.038 442 HB2 LYS 57 1HB LYS 57 -12.517 5.308 -21.766 443 HB3 LYS 57 2HB LYS 57 -13.582 3.982 -22.213 444 HG2 LYS 57 1HG LYS 57 -12.450 6.033 -24.140 445 HG3 LYS 57 2HG LYS 57 -11.824 4.398 -23.887 446 HD2 LYS 57 1HD LYS 57 -14.063 3.489 -24.562 447 HD3 LYS 57 2HD LYS 57 -14.582 5.141 -24.930 448 HE2 LYS 57 1HE LYS 57 -12.723 5.338 -26.572 449 HE3 LYS 57 2HE LYS 57 -12.258 3.670 -26.229 450 HZ1 LYS 57 1HZ LYS 57 -13.625 3.821 -28.177 451 HZ2 LYS 57 2HZ LYS 57 -14.417 2.969 -27.007 452 HZ3 LYS 57 3HZ LYS 57 -14.851 4.527 -27.329 453 H GLY 58 H GLY 58 -14.180 7.264 -20.140 454 HA2 GLY 58 1HA GLY 58 -15.935 7.503 -18.429 455 HA3 GLY 58 2HA GLY 58 -16.375 5.826 -18.698 456 H TYR 59 H TYR 59 -13.004 6.338 -18.824 457 HA TYR 59 HA TYR 59 -12.528 6.129 -15.947 458 HB2 TYR 59 1HB TYR 59 -11.352 3.950 -16.082 459 HB3 TYR 59 2HB TYR 59 -13.071 3.796 -16.420 460 HD1 TYR 59 HD1 TYR 59 -9.687 3.607 -17.811 461 HD2 TYR 59 HD2 TYR 59 -13.880 3.277 -18.660 462 HE1 TYR 59 HE1 TYR 59 -9.166 2.476 -19.946 463 HE2 TYR 59 HE2 TYR 59 -13.359 2.146 -20.795 464 HH TYR 59 HH TYR 59 -10.012 1.401 -21.713 465 H GLY 60 H GLY 60 -10.237 6.071 -15.405 466 HA2 GLY 60 1HA GLY 60 -8.188 6.321 -17.394 467 HA3 GLY 60 2HA GLY 60 -8.695 7.925 -16.897 468 H PHE 61 H PHE 61 -6.412 8.019 -16.149 469 HA PHE 61 HA PHE 61 -6.225 6.945 -13.367 470 HB2 PHE 61 1HB PHE 61 -3.921 7.287 -15.328 471 HB3 PHE 61 2HB PHE 61 -3.790 6.724 -13.670 472 HD1 PHE 61 HD1 PHE 61 -4.818 5.860 -17.074 473 HD2 PHE 61 HD2 PHE 61 -4.517 4.493 -13.038 474 HE1 PHE 61 HE1 PHE 61 -5.154 3.534 -17.839 475 HE2 PHE 61 HE2 PHE 61 -4.850 2.164 -13.799 476 HZ PHE 61 HZ PHE 61 -5.170 1.686 -16.201 477 H CYS 62 H CYS 62 -4.898 8.200 -11.910 478 HA CYS 62 HA CYS 62 -4.354 10.983 -12.779 479 HB2 CYS 62 1HB CYS 62 -6.617 11.050 -11.808 480 HB3 CYS 62 2HB CYS 62 -6.038 10.254 -10.351 481 HG CYS 62 HG CYS 62 -4.268 12.152 -9.797 482 H GLU 63 H GLU 63 -2.315 11.377 -12.308 483 HA GLU 63 HA GLU 63 -1.043 9.925 -10.060 484 HB2 GLU 63 1HB GLU 63 0.100 9.948 -12.259 485 HB3 GLU 63 2HB GLU 63 0.157 11.705 -12.221 486 HG2 GLU 63 1HG GLU 63 1.601 11.632 -10.241 487 HG3 GLU 63 2HG GLU 63 1.520 9.872 -10.236 488 H TYR 64 H TYR 64 -1.013 10.798 -8.128 489 HA TYR 64 HA TYR 64 -1.345 13.729 -7.869 490 HB2 TYR 64 1HB TYR 64 -1.517 11.430 -5.888 491 HB3 TYR 64 2HB TYR 64 -1.551 13.115 -5.387 492 HD1 TYR 64 HD1 TYR 64 -3.415 10.376 -6.862 493 HD2 TYR 64 HD2 TYR 64 -3.413 14.601 -6.115 494 HE1 TYR 64 HE1 TYR 64 -5.851 10.451 -7.274 495 HE2 TYR 64 HE2 TYR 64 -5.849 14.675 -6.526 496 HH TYR 64 HH TYR 64 -7.650 11.749 -7.441 497 H GLN 65 H GLN 65 -0.067 14.939 -6.330 498 HA GLN 65 HA GLN 65 2.728 14.603 -6.877 499 HB2 GLN 65 1HB GLN 65 1.649 16.810 -6.466 500 HB3 GLN 65 2HB GLN 65 1.366 16.356 -4.792 501 HG2 GLN 65 1HG GLN 65 3.280 17.787 -4.908 502 HG3 GLN 65 2HG GLN 65 3.822 16.142 -4.470 503 HE21 GLN 65 1HE2 GLN 65 6.196 16.107 -6.982 504 HE22 GLN 65 2HE2 GLN 65 5.709 15.686 -5.374 505 H ASP 66 H ASP 66 0.732 13.971 -4.002 506 HA ASP 66 HA ASP 66 3.120 12.660 -2.771 507 HB2 ASP 66 1HB ASP 66 0.734 14.006 -1.442 508 HB3 ASP 66 2HB ASP 66 1.955 13.082 -0.577 509 H GLN 67 H GLN 67 2.856 10.708 -1.672 510 HA GLN 67 HA GLN 67 0.890 8.912 -2.742 511 HB2 GLN 67 1HB GLN 67 2.770 8.685 -0.362 512 HB3 GLN 67 2HB GLN 67 1.737 7.370 -0.904 513 HG2 GLN 67 1HG GLN 67 2.860 7.285 -3.039 514 HG3 GLN 67 2HG GLN 67 3.831 8.723 -2.616 515 HE21 GLN 67 1HE2 GLN 67 6.119 5.983 -2.019 516 HE22 GLN 67 2HE2 GLN 67 5.431 6.885 -3.328 517 H GLU 68 H GLU 68 1.121 10.740 0.285 518 HA GLU 68 HA GLU 68 -1.189 9.548 1.509 519 HB2 GLU 68 1HB GLU 68 0.196 12.220 1.953 520 HB3 GLU 68 2HB GLU 68 -1.137 11.644 2.943 521 HG2 GLU 68 1HG GLU 68 0.184 9.708 3.639 522 HG3 GLU 68 2HG GLU 68 1.512 10.221 2.600 523 H THR 69 H THR 69 -0.724 12.215 -0.743 524 HA THR 69 HA THR 69 -3.430 13.183 -0.645 525 HB THR 69 HB THR 69 -1.360 13.304 -2.879 526 HG1 THR 69 HG1 THR 69 -2.182 15.210 -0.912 527 HG21 THR 69 1HG2 THR 69 -2.755 15.122 -3.784 528 HG22 THR 69 2HG2 THR 69 -3.658 13.589 -3.742 529 HG23 THR 69 3HG2 THR 69 -3.962 14.836 -2.510 530 H ALA 70 H ALA 70 -1.774 10.802 -2.727 531 HA ALA 70 HA ALA 70 -4.060 10.077 -4.254 532 HB1 ALA 70 1HB ALA 70 -2.828 7.982 -4.717 533 HB2 ALA 70 2HB ALA 70 -1.781 9.412 -4.876 534 HB3 ALA 70 3HB ALA 70 -1.672 8.386 -3.427 535 H LEU 71 H LEU 71 -2.827 8.860 -1.147 536 HA LEU 71 HA LEU 71 -4.822 6.880 -0.725 537 HB2 LEU 71 1HB LEU 71 -2.827 7.047 0.671 538 HB3 LEU 71 2HB LEU 71 -3.329 8.636 1.255 539 HG LEU 71 HG LEU 71 -5.289 7.581 2.370 540 HD11 LEU 71 1HD1 LEU 71 -5.369 5.135 2.554 541 HD12 LEU 71 2HD1 LEU 71 -5.548 5.674 0.868 542 HD13 LEU 71 3HD1 LEU 71 -3.997 5.005 1.429 543 HD21 LEU 71 1HD2 LEU 71 -3.971 6.479 4.147 544 HD22 LEU 71 2HD2 LEU 71 -2.577 6.367 3.045 545 HD23 LEU 71 3HD2 LEU 71 -3.165 7.960 3.578 546 H SER 72 H SER 72 -4.733 10.325 0.235 547 HA SER 72 HA SER 72 -7.272 10.428 1.465 548 HB2 SER 72 1HB SER 72 -5.789 12.546 -0.126 549 HB3 SER 72 2HB SER 72 -7.206 12.861 0.863 550 HG SER 72 HG SER 72 -4.694 11.890 1.658 551 H ALA 73 H ALA 73 -6.356 10.758 -1.954 552 HA ALA 73 HA ALA 73 -8.926 11.420 -2.955 553 HB1 ALA 73 1HB ALA 73 -8.090 10.544 -5.112 554 HB2 ALA 73 2HB ALA 73 -6.887 11.582 -4.311 555 HB3 ALA 73 3HB ALA 73 -6.705 9.813 -4.269 556 H MET 74 H MET 74 -7.398 8.252 -2.388 557 HA MET 74 HA MET 74 -9.581 6.725 -3.450 558 HB2 MET 74 1HB MET 74 -7.349 6.041 -1.507 559 HB3 MET 74 2HB MET 74 -8.520 4.856 -2.066 560 HG2 MET 74 1HG MET 74 -7.796 5.386 -4.429 561 HG3 MET 74 2HG MET 74 -6.501 6.368 -3.739 562 HE1 MET 74 1HE MET 74 -4.132 3.852 -2.088 563 HE2 MET 74 2HE MET 74 -4.330 5.485 -2.771 564 HE3 MET 74 3HE MET 74 -5.290 4.989 -1.356 565 H ARG 75 H ARG 75 -8.957 8.172 -0.321 566 HA ARG 75 HA ARG 75 -11.103 6.656 0.981 567 HB2 ARG 75 1HB ARG 75 -9.335 8.946 1.889 568 HB3 ARG 75 2HB ARG 75 -10.608 8.266 2.890 569 HG2 ARG 75 1HG ARG 75 -9.493 6.076 2.840 570 HG3 ARG 75 2HG ARG 75 -8.203 6.764 1.823 571 HD2 ARG 75 1HD ARG 75 -7.597 8.295 3.568 572 HD3 ARG 75 2HD ARG 75 -8.948 7.726 4.575 573 HE ARG 75 HE ARG 75 -7.346 5.508 3.878 574 HH11 ARG 75 1HH1 ARG 75 -7.194 8.432 5.819 575 HH12 ARG 75 2HH1 ARG 75 -6.065 7.758 6.973 576 HH21 ARG 75 1HH2 ARG 75 -5.880 4.644 5.382 577 HH22 ARG 75 2HH2 ARG 75 -5.321 5.613 6.726 578 H ASN 76 H ASN 76 -10.616 9.849 -0.452 579 HA ASN 76 HA ASN 76 -13.206 10.755 0.692 580 HB2 ASN 76 1HB ASN 76 -10.891 12.250 -0.574 581 HB3 ASN 76 2HB ASN 76 -12.418 13.014 -0.153 582 HD21 ASN 76 1HD2 ASN 76 -9.915 13.390 2.602 583 HD22 ASN 76 2HD2 ASN 76 -9.886 13.704 0.899 584 H LEU 77 H LEU 77 -11.486 10.513 -2.425 585 HA LEU 77 HA LEU 77 -13.794 11.716 -3.789 586 HB2 LEU 77 1HB LEU 77 -11.130 10.691 -4.832 587 HB3 LEU 77 2HB LEU 77 -12.352 11.504 -5.815 588 HG LEU 77 HG LEU 77 -10.874 12.755 -3.471 589 HD11 LEU 77 1HD1 LEU 77 -9.706 14.037 -5.208 590 HD12 LEU 77 2HD1 LEU 77 -9.401 12.291 -5.363 591 HD13 LEU 77 3HD1 LEU 77 -10.543 13.097 -6.466 592 HD21 LEU 77 1HD2 LEU 77 -11.907 14.840 -4.307 593 HD22 LEU 77 2HD2 LEU 77 -12.776 13.912 -5.552 594 HD23 LEU 77 3HD2 LEU 77 -13.149 13.657 -3.831 595 H ASN 78 H ASN 78 -12.861 8.618 -2.852 596 HA ASN 78 HA ASN 78 -14.072 7.148 -5.036 597 HB2 ASN 78 1HB ASN 78 -12.456 6.123 -3.473 598 HB3 ASN 78 2HB ASN 78 -13.592 6.341 -2.148 599 HD21 ASN 78 1HD2 ASN 78 -13.766 3.071 -4.391 600 HD22 ASN 78 2HD2 ASN 78 -12.444 4.190 -4.362 601 H GLY 79 H GLY 79 -16.102 7.259 -5.605 602 HA2 GLY 79 1HA GLY 79 -18.445 7.172 -5.330 603 HA3 GLY 79 2HA GLY 79 -18.244 7.210 -3.588 604 H ARG 80 H ARG 80 -16.531 9.521 -5.573 605 HA ARG 80 HA ARG 80 -17.626 11.742 -4.133 606 HB2 ARG 80 1HB ARG 80 -15.388 11.800 -5.135 607 HB3 ARG 80 2HB ARG 80 -16.077 11.659 -6.745 608 HG2 ARG 80 1HG ARG 80 -15.436 13.938 -6.345 609 HG3 ARG 80 2HG ARG 80 -17.213 13.848 -6.417 610 HD2 ARG 80 1HD ARG 80 -17.379 13.966 -4.052 611 HD3 ARG 80 2HD ARG 80 -15.616 13.821 -3.870 612 HE ARG 80 HE ARG 80 -15.374 16.047 -4.419 613 HH11 ARG 80 1HH1 ARG 80 -18.677 15.022 -5.038 614 HH12 ARG 80 2HH1 ARG 80 -19.270 16.650 -5.279 615 HH21 ARG 80 1HH2 ARG 80 -16.156 18.156 -4.735 616 HH22 ARG 80 2HH2 ARG 80 -17.844 18.424 -5.108 617 H GLU 81 H GLU 81 -19.678 12.339 -4.278 618 HA GLU 81 HA GLU 81 -21.437 11.777 -6.401 619 HB2 GLU 81 1HB GLU 81 -22.142 12.499 -4.125 620 HB3 GLU 81 2HB GLU 81 -21.547 14.120 -4.457 621 HG2 GLU 81 1HG GLU 81 -23.190 14.381 -6.250 622 HG3 GLU 81 2HG GLU 81 -23.762 12.735 -5.984 623 H PHE 82 H PHE 82 -21.983 12.702 -8.276 624 HA PHE 82 HA PHE 82 -20.980 15.379 -8.962 625 HB2 PHE 82 1HB PHE 82 -19.070 13.812 -9.461 626 HB3 PHE 82 2HB PHE 82 -20.111 12.958 -10.589 627 HD1 PHE 82 HD1 PHE 82 -19.062 16.482 -9.866 628 HD2 PHE 82 HD2 PHE 82 -19.915 13.503 -12.807 629 HE1 PHE 82 HE1 PHE 82 -18.422 18.066 -11.653 630 HE2 PHE 82 HE2 PHE 82 -19.273 15.083 -14.596 631 HZ PHE 82 HZ PHE 82 -18.528 17.366 -14.019 632 H SER 83 H SER 83 -21.949 16.278 -10.810 633 HA SER 83 HA SER 83 -24.707 15.632 -10.894 634 HB2 SER 83 1HB SER 83 -24.887 17.347 -12.587 635 HB3 SER 83 2HB SER 83 -23.743 17.874 -11.362 636 HG SER 83 HG SER 83 -23.280 16.917 -13.945 637 H GLY 84 H GLY 84 -22.026 14.655 -12.950 638 HA2 GLY 84 1HA GLY 84 -23.795 13.318 -14.886 639 HA3 GLY 84 2HA GLY 84 -22.042 13.298 -14.882 640 H ARG 85 H ARG 85 -20.935 11.917 -13.321 641 HA ARG 85 HA ARG 85 -22.636 9.835 -12.058 642 HB2 ARG 85 1HB ARG 85 -20.277 9.284 -13.889 643 HB3 ARG 85 2HB ARG 85 -21.027 8.081 -12.852 644 HG2 ARG 85 1HG ARG 85 -22.520 9.587 -15.010 645 HG3 ARG 85 2HG ARG 85 -21.738 8.005 -15.243 646 HD2 ARG 85 1HD ARG 85 -23.119 7.109 -13.413 647 HD3 ARG 85 2HD ARG 85 -23.957 8.676 -13.327 648 HE ARG 85 HE ARG 85 -24.223 6.623 -15.387 649 HH11 ARG 85 1HH1 ARG 85 -24.837 9.951 -14.444 650 HH12 ARG 85 2HH1 ARG 85 -26.137 10.169 -15.595 651 HH21 ARG 85 1HH2 ARG 85 -25.912 6.918 -16.877 652 HH22 ARG 85 2HH2 ARG 85 -26.746 8.453 -16.972 653 H ALA 86 H ALA 86 -21.917 9.107 -10.134 654 HA ALA 86 HA ALA 86 -19.911 10.585 -8.749 655 HB1 ALA 86 1HB ALA 86 -20.196 8.892 -6.968 656 HB2 ALA 86 2HB ALA 86 -21.762 9.460 -7.593 657 HB3 ALA 86 3HB ALA 86 -21.126 7.876 -8.093 658 H LEU 87 H LEU 87 -17.794 10.334 -8.452 659 HA LEU 87 HA LEU 87 -16.487 8.575 -10.385 660 HB2 LEU 87 1HB LEU 87 -15.341 10.554 -8.383 661 HB3 LEU 87 2HB LEU 87 -14.419 9.730 -9.643 662 HG LEU 87 HG LEU 87 -16.670 11.716 -10.118 663 HD11 LEU 87 1HD1 LEU 87 -14.862 13.190 -10.883 664 HD12 LEU 87 2HD1 LEU 87 -14.671 12.749 -9.170 665 HD13 LEU 87 3HD1 LEU 87 -13.662 11.965 -10.409 666 HD21 LEU 87 1HD2 LEU 87 -15.931 11.567 -12.472 667 HD22 LEU 87 2HD2 LEU 87 -14.745 10.318 -12.022 668 HD23 LEU 87 3HD2 LEU 87 -16.487 9.985 -11.875 669 H ARG 88 H ARG 88 -15.236 6.828 -10.021 670 HA ARG 88 HA ARG 88 -15.035 5.907 -7.186 671 HB2 ARG 88 1HB ARG 88 -16.305 4.364 -8.567 672 HB3 ARG 88 2HB ARG 88 -15.039 4.337 -9.784 673 HG2 ARG 88 1HG ARG 88 -13.569 3.111 -8.374 674 HG3 ARG 88 2HG ARG 88 -14.604 3.377 -6.951 675 HD2 ARG 88 1HD ARG 88 -14.811 1.127 -7.887 676 HD3 ARG 88 2HD ARG 88 -16.340 2.035 -7.921 677 HE ARG 88 HE ARG 88 -16.221 2.158 -10.252 678 HH11 ARG 88 1HH1 ARG 88 -13.402 0.552 -8.903 679 HH12 ARG 88 2HH1 ARG 88 -12.895 -0.118 -10.437 680 HH21 ARG 88 1HH2 ARG 88 -15.553 1.282 -12.237 681 HH22 ARG 88 2HH2 ARG 88 -14.111 0.295 -12.325 682 H VAL 89 H VAL 89 -13.112 6.038 -6.281 683 HA VAL 89 HA VAL 89 -10.733 6.142 -8.089 684 HB VAL 89 HB VAL 89 -11.159 7.520 -5.402 685 HG11 VAL 89 1HG1 VAL 89 -9.012 8.606 -5.846 686 HG12 VAL 89 2HG1 VAL 89 -8.848 6.840 -5.704 687 HG13 VAL 89 3HG1 VAL 89 -8.812 7.611 -7.308 688 HG21 VAL 89 1HG2 VAL 89 -11.101 9.594 -6.750 689 HG22 VAL 89 2HG2 VAL 89 -10.970 8.623 -8.236 690 HG23 VAL 89 3HG2 VAL 89 -12.447 8.542 -7.246 691 H ASP 90 H ASP 90 -9.194 4.680 -7.804 692 HA ASP 90 HA ASP 90 -8.762 3.477 -5.153 693 HB2 ASP 90 1HB ASP 90 -10.543 2.140 -6.624 694 HB3 ASP 90 2HB ASP 90 -9.100 1.535 -7.426 695 H ASN 91 H ASN 91 -6.952 1.736 -5.375 696 HA ASN 91 HA ASN 91 -4.705 3.224 -6.465 697 HB2 ASN 91 1HB ASN 91 -4.648 1.949 -4.306 698 HB3 ASN 91 2HB ASN 91 -4.743 0.454 -5.226 699 HD21 ASN 91 1HD2 ASN 91 -1.198 1.112 -4.464 700 HD22 ASN 91 2HD2 ASN 91 -2.651 0.849 -3.559 701 H ALA 92 H ALA 92 -3.955 3.161 -8.428 702 HA ALA 92 HA ALA 92 -5.025 1.370 -10.385 703 HB1 ALA 92 1HB ALA 92 -3.354 2.380 -11.903 704 HB2 ALA 92 2HB ALA 92 -4.220 3.616 -10.959 705 HB3 ALA 92 3HB ALA 92 -2.564 3.150 -10.508 706 H ALA 93 H ALA 93 -2.386 1.104 -8.183 707 HA ALA 93 HA ALA 93 -0.914 -0.833 -9.806 708 HB1 ALA 93 1HB ALA 93 0.555 -1.008 -7.824 709 HB2 ALA 93 2HB ALA 93 0.294 0.686 -8.304 710 HB3 ALA 93 3HB ALA 93 -0.576 0.013 -6.905 711 H SER 94 H SER 94 -3.660 -0.953 -7.884 712 HA SER 94 HA SER 94 -3.288 -3.464 -6.555 713 HB2 SER 94 1HB SER 94 -5.042 -1.910 -5.892 714 HB3 SER 94 2HB SER 94 -5.801 -2.031 -7.472 715 HG SER 94 HG SER 94 -6.605 -3.355 -5.671 716 H GLU 95 H GLU 95 -3.709 -5.533 -7.121 717 HA GLU 95 HA GLU 95 -3.436 -6.144 -9.918 718 HB2 GLU 95 1HB GLU 95 -4.059 -7.915 -7.522 719 HB3 GLU 95 2HB GLU 95 -3.728 -8.526 -9.137 720 HG2 GLU 95 1HG GLU 95 -1.822 -6.918 -7.422 721 HG3 GLU 95 2HG GLU 95 -1.771 -8.660 -7.686 722 H LYS 96 H LYS 96 -6.160 -6.048 -7.687 723 HA LYS 96 HA LYS 96 -8.046 -7.389 -9.368 724 HB2 LYS 96 1HB LYS 96 -8.389 -5.301 -7.185 725 HB3 LYS 96 2HB LYS 96 -9.746 -6.068 -7.998 726 HG2 LYS 96 1HG LYS 96 -8.992 -8.274 -7.202 727 HG3 LYS 96 2HG LYS 96 -7.613 -7.511 -6.397 728 HD2 LYS 96 1HD LYS 96 -9.168 -6.175 -5.005 729 HD3 LYS 96 2HD LYS 96 -10.543 -6.949 -5.805 730 HE2 LYS 96 1HE LYS 96 -9.808 -9.149 -4.973 731 HE3 LYS 96 2HE LYS 96 -8.405 -8.403 -4.204 732 HZ1 LYS 96 1HZ LYS 96 -10.181 -8.754 -2.650 733 HZ2 LYS 96 2HZ LYS 96 -9.907 -7.137 -2.826 734 HZ3 LYS 96 3HZ LYS 96 -11.218 -7.834 -3.544 735 H ASN 97 H ASN 97 -6.999 -4.012 -9.154 736 HA ASN 97 HA ASN 97 -8.959 -3.067 -11.071 737 HB2 ASN 97 1HB ASN 97 -6.404 -1.884 -9.954 738 HB3 ASN 97 2HB ASN 97 -7.385 -1.055 -11.155 739 HD21 ASN 97 1HD2 ASN 97 -8.282 -0.139 -7.591 740 HD22 ASN 97 2HD2 ASN 97 -6.758 -0.325 -8.392 741 H LYS 98 H LYS 98 -5.671 -4.316 -11.263 742 HA LYS 98 HA LYS 98 -5.220 -3.749 -14.020 743 HB2 LYS 98 1HB LYS 98 -4.248 -6.006 -12.230 744 HB3 LYS 98 2HB LYS 98 -3.706 -5.799 -13.890 745 HG2 LYS 98 1HG LYS 98 -2.795 -3.582 -13.331 746 HG3 LYS 98 2HG LYS 98 -3.360 -3.767 -11.665 747 HD2 LYS 98 1HD LYS 98 -1.942 -5.815 -11.449 748 HD3 LYS 98 2HD LYS 98 -1.326 -5.528 -13.083 749 HE2 LYS 98 1HE LYS 98 -0.420 -3.353 -12.383 750 HE3 LYS 98 2HE LYS 98 -1.080 -3.580 -10.761 751 HZ1 LYS 98 1HZ LYS 98 1.233 -4.154 -10.861 752 HZ2 LYS 98 2HZ LYS 98 0.341 -5.498 -10.514 753 HZ3 LYS 98 3HZ LYS 98 0.959 -5.285 -12.029 754 H GLU 99 H GLU 99 -6.894 -6.427 -12.397 755 HA GLU 99 HA GLU 99 -7.412 -7.921 -14.794 756 HB2 GLU 99 1HB GLU 99 -8.818 -7.847 -12.097 757 HB3 GLU 99 2HB GLU 99 -9.248 -8.969 -13.381 758 HG2 GLU 99 1HG GLU 99 -6.548 -8.785 -12.024 759 HG3 GLU 99 2HG GLU 99 -7.794 -9.988 -11.698 760 H GLU 100 H GLU 100 -9.211 -5.387 -13.065 761 HA GLU 100 HA GLU 100 -11.472 -5.301 -14.784 762 HB2 GLU 100 1HB GLU 100 -11.321 -4.054 -12.651 763 HB3 GLU 100 2HB GLU 100 -10.069 -3.023 -13.328 764 HG2 GLU 100 1HG GLU 100 -11.635 -2.118 -14.954 765 HG3 GLU 100 2HG GLU 100 -12.894 -3.216 -14.393 766 H LEU 101 H LEU 101 -8.311 -3.659 -15.003 767 HA LEU 101 HA LEU 101 -8.884 -2.171 -17.356 768 HB2 LEU 101 1HB LEU 101 -6.289 -3.253 -16.217 769 HB3 LEU 101 2HB LEU 101 -6.353 -2.216 -17.646 770 HG LEU 101 HG LEU 101 -7.396 -1.408 -14.909 771 HD11 LEU 101 1HD1 LEU 101 -5.345 -0.068 -14.752 772 HD12 LEU 101 2HD1 LEU 101 -4.988 -1.809 -14.843 773 HD13 LEU 101 3HD1 LEU 101 -4.764 -0.778 -16.276 774 HD21 LEU 101 1HD2 LEU 101 -7.370 0.848 -15.919 775 HD22 LEU 101 2HD2 LEU 101 -6.817 0.151 -17.462 776 HD23 LEU 101 3HD2 LEU 101 -8.433 -0.251 -16.832 777 H LYS 102 H LYS 102 -7.758 -5.488 -16.875 778 HA LYS 102 HA LYS 102 -7.164 -6.077 -19.600 779 HB2 LYS 102 1HB LYS 102 -8.091 -7.822 -17.293 780 HB3 LYS 102 2HB LYS 102 -7.695 -8.476 -18.875 781 HG2 LYS 102 1HG LYS 102 -5.399 -7.638 -18.676 782 HG3 LYS 102 2HG LYS 102 -5.788 -6.914 -17.109 783 HD2 LYS 102 1HD LYS 102 -6.360 -9.177 -16.233 784 HD3 LYS 102 2HD LYS 102 -5.891 -9.876 -17.790 785 HE2 LYS 102 1HE LYS 102 -3.601 -9.027 -17.504 786 HE3 LYS 102 2HE LYS 102 -4.056 -8.264 -15.978 787 HZ1 LYS 102 1HZ LYS 102 -2.982 -10.365 -15.628 788 HZ2 LYS 102 2HZ LYS 102 -4.543 -10.444 -15.101 789 HZ3 LYS 102 3HZ LYS 102 -4.116 -11.157 -16.526 790 H SER 103 H SER 103 -10.192 -6.263 -17.746 791 HA SER 103 HA SER 103 -11.707 -7.329 -19.978 792 HB2 SER 103 1HB SER 103 -13.630 -7.019 -18.577 793 HB3 SER 103 2HB SER 103 -12.322 -7.616 -17.567 794 HG SER 103 HG SER 103 -11.971 -5.147 -17.415 795 H LEU 104 H LEU 104 -10.838 -4.136 -18.835 796 HA LEU 104 HA LEU 104 -12.721 -2.745 -20.561 797 HB2 LEU 104 1HB LEU 104 -10.217 -1.850 -19.096 798 HB3 LEU 104 2HB LEU 104 -11.240 -0.762 -20.038 799 HG LEU 104 HG LEU 104 -12.179 -2.342 -17.618 800 HD11 LEU 104 1HD1 LEU 104 -12.081 -0.185 -16.449 801 HD12 LEU 104 2HD1 LEU 104 -10.474 -0.702 -17.012 802 HD13 LEU 104 3HD1 LEU 104 -11.361 0.565 -17.893 803 HD21 LEU 104 1HD2 LEU 104 -14.122 -0.821 -17.765 804 HD22 LEU 104 2HD2 LEU 104 -13.432 -0.079 -19.228 805 HD23 LEU 104 3HD2 LEU 104 -13.947 -1.782 -19.253 806 H GLY 105 H GLY 105 -9.447 -3.986 -20.833 807 HA2 GLY 105 1HA GLY 105 -8.339 -4.489 -22.854 808 HA3 GLY 105 2HA GLY 105 -9.556 -3.594 -23.745 809 H THR 106 H THR 106 -7.847 -2.309 -20.932 810 HA THR 106 HA THR 106 -6.277 -0.529 -22.742 811 HB THR 106 HB THR 106 -7.818 0.335 -20.257 812 HG1 THR 106 HG1 THR 106 -8.208 0.588 -23.038 813 HG21 THR 106 1HG2 THR 106 -6.982 2.588 -20.798 814 HG22 THR 106 2HG2 THR 106 -5.636 1.476 -20.454 815 HG23 THR 106 3HG2 THR 106 -6.020 1.915 -22.134
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