NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24580 | 2k3i | 15762 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 41.670 10.135 26.616 2 H1 MET 1 H1 MET 1 42.533 11.999 25.342 3 H2 MET 1 H2 MET 1 41.376 11.719 24.134 4 H3 MET 1 H3 MET 1 42.564 10.548 24.464 5 HB2 MET 1 HB2 MET 1 40.901 12.509 26.935 6 HB3 MET 1 HB3 MET 1 39.523 12.147 25.907 7 HG2 MET 1 HG2 MET 1 38.688 10.548 27.484 8 HG3 MET 1 HG3 MET 1 40.141 10.697 28.469 9 HE1 MET 1 HE1 MET 1 37.045 14.086 27.955 10 HE2 MET 1 HE2 MET 1 36.886 12.502 27.198 11 HE3 MET 1 HE3 MET 1 38.163 13.602 26.679 12 H ALA 2 H ALA 2 40.831 10.103 23.412 13 HA ALA 2 HA ALA 2 38.811 8.004 23.866 14 HB1 ALA 2 HB1 ALA 2 37.908 8.515 21.658 15 HB2 ALA 2 HB2 ALA 2 39.122 9.775 21.441 16 HB3 ALA 2 HB3 ALA 2 37.886 9.948 22.687 17 H MET 3 H MET 3 39.122 6.033 22.862 18 HA MET 3 HA MET 3 41.595 5.745 21.289 19 HB2 MET 3 HB2 MET 3 40.775 3.985 23.610 20 HB3 MET 3 HB3 MET 3 42.100 3.637 22.513 21 HG2 MET 3 HG2 MET 3 43.137 4.518 24.385 22 HG3 MET 3 HG3 MET 3 43.071 5.878 23.269 23 HE1 MET 3 HE1 MET 3 40.193 5.367 26.847 24 HE2 MET 3 HE2 MET 3 41.491 4.231 26.478 25 HE3 MET 3 HE3 MET 3 40.112 4.378 25.388 26 H LYS 4 H LYS 4 38.338 4.778 21.914 27 HA LYS 4 HA LYS 4 38.597 2.367 20.278 28 HB2 LYS 4 HB2 LYS 4 36.304 3.361 21.977 29 HB3 LYS 4 HB3 LYS 4 36.334 1.832 21.108 30 HG2 LYS 4 HG2 LYS 4 38.173 1.057 22.467 31 HG3 LYS 4 HG3 LYS 4 38.251 2.614 23.293 32 HD2 LYS 4 HD2 LYS 4 35.876 0.756 23.310 33 HD3 LYS 4 HD3 LYS 4 37.064 0.887 24.607 34 HE2 LYS 4 HE2 LYS 4 36.459 3.217 24.949 35 HE3 LYS 4 HE3 LYS 4 35.315 3.136 23.609 36 HZ1 LYS 4 HZ1 LYS 4 34.012 1.537 24.821 37 HZ2 LYS 4 HZ2 LYS 4 34.244 2.911 25.790 38 HZ3 LYS 4 HZ3 LYS 4 35.145 1.504 26.086 39 H ASP 5 H ASP 5 38.491 2.853 18.165 40 HA ASP 5 HA ASP 5 35.882 3.788 17.253 41 HB2 ASP 5 HB2 ASP 5 37.620 5.681 17.115 42 HB3 ASP 5 HB3 ASP 5 38.385 4.723 15.851 43 H VAL 6 H VAL 6 35.420 1.640 16.816 44 HA VAL 6 HA VAL 6 36.451 0.668 14.309 45 HB VAL 6 HB VAL 6 38.180 -0.215 15.734 46 HG11 VAL 6 HG11 VAL 6 37.045 -0.145 17.874 47 HG12 VAL 6 HG12 VAL 6 37.713 -1.752 17.584 48 HG13 VAL 6 HG13 VAL 6 35.985 -1.465 17.378 49 HG21 VAL 6 HG21 VAL 6 36.224 -2.370 14.954 50 HG22 VAL 6 HG22 VAL 6 37.934 -2.617 15.310 51 HG23 VAL 6 HG23 VAL 6 37.454 -1.642 13.921 52 H VAL 7 H VAL 7 34.793 -0.096 13.236 53 HA VAL 7 HA VAL 7 32.922 -1.909 14.472 54 HB VAL 7 HB VAL 7 31.952 0.346 14.907 55 HG11 VAL 7 HG11 VAL 7 31.009 1.631 13.048 56 HG12 VAL 7 HG12 VAL 7 31.765 0.520 11.906 57 HG13 VAL 7 HG13 VAL 7 32.767 1.523 12.954 58 HG21 VAL 7 HG21 VAL 7 30.379 -1.386 13.002 59 HG22 VAL 7 HG22 VAL 7 29.699 -0.173 14.087 60 HG23 VAL 7 HG23 VAL 7 30.499 -1.598 14.750 61 H ASP 8 H ASP 8 32.053 -3.317 12.978 62 HA ASP 8 HA ASP 8 32.319 -2.766 10.161 63 HB2 ASP 8 HB2 ASP 8 33.649 -4.850 9.719 64 HB3 ASP 8 HB3 ASP 8 34.546 -3.568 10.521 65 H LYS 9 H LYS 9 30.180 -3.039 9.888 66 HA LYS 9 HA LYS 9 29.356 -5.753 9.457 67 HB2 LYS 9 HB2 LYS 9 28.805 -5.424 11.878 68 HB3 LYS 9 HB3 LYS 9 27.737 -4.105 11.413 69 HG2 LYS 9 HG2 LYS 9 26.479 -5.740 10.003 70 HG3 LYS 9 HG3 LYS 9 27.458 -7.018 10.724 71 HD2 LYS 9 HD2 LYS 9 25.565 -7.028 12.059 72 HD3 LYS 9 HD3 LYS 9 26.669 -6.005 12.976 73 HE2 LYS 9 HE2 LYS 9 24.508 -5.027 11.113 74 HE3 LYS 9 HE3 LYS 9 24.387 -5.086 12.870 75 HZ1 LYS 9 HZ1 LYS 9 24.951 -2.878 12.199 76 HZ2 LYS 9 HZ2 LYS 9 26.247 -3.426 11.265 77 HZ3 LYS 9 HZ3 LYS 9 26.313 -3.555 12.954 78 H CYS 10 H CYS 10 29.175 -5.067 7.336 79 HA CYS 10 HA CYS 10 26.930 -3.218 6.822 80 HG CYS 10 HG CYS 10 29.067 -1.717 7.719 81 HB2 CYS 10 HB2 CYS 10 29.417 -3.628 5.140 82 HB3 CYS 10 HB3 CYS 10 28.080 -2.553 4.748 83 H SER 11 H SER 11 27.141 -6.203 7.125 84 HA SER 11 HA SER 11 26.770 -7.258 4.476 85 HG SER 11 HG SER 11 28.617 -7.960 5.635 86 HB2 SER 11 HB2 SER 11 26.427 -8.570 7.177 87 HB3 SER 11 HB3 SER 11 26.447 -9.405 5.623 88 H THR 12 H THR 12 24.990 -5.963 3.857 89 HA THR 12 HA THR 12 22.505 -7.371 4.355 90 HB THR 12 HB THR 12 22.356 -5.492 5.930 91 HG1 THR 12 HG1 THR 12 20.354 -4.842 5.278 92 HG21 THR 12 HG21 THR 12 23.888 -3.936 4.833 93 HG22 THR 12 HG22 THR 12 22.327 -3.174 5.142 94 HG23 THR 12 HG23 THR 12 22.736 -3.720 3.515 95 H LYS 13 H LYS 13 21.294 -7.524 2.475 96 HA LYS 13 HA LYS 13 22.716 -6.468 0.126 97 HB2 LYS 13 HB2 LYS 13 22.578 -8.983 0.519 98 HB3 LYS 13 HB3 LYS 13 20.865 -8.848 0.142 99 HG2 LYS 13 HG2 LYS 13 21.317 -8.150 -2.076 100 HG3 LYS 13 HG3 LYS 13 23.032 -7.923 -1.725 101 HD2 LYS 13 HD2 LYS 13 23.198 -10.364 -1.272 102 HD3 LYS 13 HD3 LYS 13 21.522 -10.531 -1.802 103 HE2 LYS 13 HE2 LYS 13 22.070 -9.782 -4.003 104 HE3 LYS 13 HE3 LYS 13 23.704 -9.345 -3.503 105 HZ1 LYS 13 HZ1 LYS 13 22.572 -12.089 -3.658 106 HZ2 LYS 13 HZ2 LYS 13 24.110 -11.714 -3.043 107 HZ3 LYS 13 HZ3 LYS 13 23.757 -11.421 -4.672 108 H GLY 14 H GLY 14 19.608 -6.696 1.677 109 HA2 GLY 14 HA2 GLY 14 17.736 -5.370 1.327 110 HA3 GLY 14 HA3 GLY 14 18.587 -4.584 0.003 111 H CYS 15 H CYS 15 17.584 -7.923 0.659 112 HA CYS 15 HA CYS 15 16.902 -8.385 -2.076 113 HG CYS 15 HG CYS 15 18.657 -11.531 -0.997 114 HB2 CYS 15 HB2 CYS 15 16.190 -10.067 0.332 115 HB3 CYS 15 HB3 CYS 15 16.286 -10.601 -1.344 116 H ALA 16 H ALA 16 15.194 -7.386 0.784 117 HA ALA 16 HA ALA 16 12.600 -7.686 -0.524 118 HB1 ALA 16 HB1 ALA 16 11.677 -6.940 1.632 119 HB2 ALA 16 HB2 ALA 16 13.317 -6.725 2.245 120 HB3 ALA 16 HB3 ALA 16 12.740 -8.335 1.814 121 H ILE 17 H ILE 17 11.506 -6.024 -1.407 122 HA ILE 17 HA ILE 17 12.894 -3.552 -1.807 123 HB ILE 17 HB ILE 17 10.802 -2.888 -3.067 124 HG12 ILE 17 HG12 ILE 17 10.063 -5.787 -2.586 125 HG13 ILE 17 HG13 ILE 17 9.244 -4.405 -1.869 126 HG21 ILE 17 HG21 ILE 17 12.747 -3.748 -4.204 127 HG22 ILE 17 HG22 ILE 17 11.294 -4.411 -4.951 128 HG23 ILE 17 HG23 ILE 17 12.259 -5.407 -3.861 129 HD11 ILE 17 HD11 ILE 17 9.395 -5.025 -4.812 130 HD12 ILE 17 HD12 ILE 17 8.557 -3.657 -4.080 131 HD13 ILE 17 HD13 ILE 17 8.007 -5.302 -3.760 132 H ASP 18 H ASP 18 13.061 -2.331 -0.036 133 HA ASP 18 HA ASP 18 10.548 -1.351 1.132 134 HB2 ASP 18 HB2 ASP 18 11.611 -2.808 2.770 135 HB3 ASP 18 HB3 ASP 18 13.136 -1.952 2.585 136 H ILE 19 H ILE 19 10.357 0.810 1.241 137 HA ILE 19 HA ILE 19 12.331 2.400 -0.137 138 HB ILE 19 HB ILE 19 9.908 3.491 1.286 139 HG12 ILE 19 HG12 ILE 19 10.008 2.172 -1.443 140 HG13 ILE 19 HG13 ILE 19 9.047 1.674 -0.059 141 HG21 ILE 19 HG21 ILE 19 11.522 5.104 0.432 142 HG22 ILE 19 HG22 ILE 19 10.006 5.197 -0.463 143 HG23 ILE 19 HG23 ILE 19 11.402 4.389 -1.176 144 HD11 ILE 19 HD11 ILE 19 7.692 2.793 -1.733 145 HD12 ILE 19 HD12 ILE 19 8.706 4.231 -1.605 146 HD13 ILE 19 HD13 ILE 19 7.733 3.714 -0.228 147 H GLY 20 H GLY 20 11.630 1.535 3.090 148 HA2 GLY 20 HA2 GLY 20 13.133 2.019 4.878 149 HA3 GLY 20 HA3 GLY 20 13.580 3.513 4.061 150 H THR 21 H THR 21 10.279 2.484 4.385 151 HA THR 21 HA THR 21 9.744 4.875 5.985 152 HB THR 21 HB THR 21 7.636 3.128 4.734 153 HG1 THR 21 HG1 THR 21 9.474 4.847 3.473 154 HG21 THR 21 HG21 THR 21 6.407 5.221 4.569 155 HG22 THR 21 HG22 THR 21 7.798 6.111 5.187 156 HG23 THR 21 HG23 THR 21 6.946 4.973 6.230 157 H VAL 22 H VAL 22 7.795 4.550 7.533 158 HA VAL 22 HA VAL 22 8.539 2.587 9.464 159 HB VAL 22 HB VAL 22 6.630 3.455 10.780 160 HG11 VAL 22 HG11 VAL 22 7.509 5.724 11.079 161 HG12 VAL 22 HG12 VAL 22 8.397 5.578 9.562 162 HG13 VAL 22 HG13 VAL 22 8.808 4.541 10.929 163 HG21 VAL 22 HG21 VAL 22 6.165 5.216 8.374 164 HG22 VAL 22 HG22 VAL 22 5.358 5.372 9.934 165 HG23 VAL 22 HG23 VAL 22 5.096 3.935 8.946 166 H ILE 23 H ILE 23 6.764 1.278 10.566 167 HA ILE 23 HA ILE 23 5.387 -0.266 8.471 168 HB ILE 23 HB ILE 23 6.347 -1.118 11.215 169 HG12 ILE 23 HG12 ILE 23 7.656 -2.797 9.737 170 HG13 ILE 23 HG13 ILE 23 7.311 -1.685 8.419 171 HG21 ILE 23 HG21 ILE 23 4.878 -2.737 9.137 172 HG22 ILE 23 HG22 ILE 23 4.254 -2.231 10.707 173 HG23 ILE 23 HG23 ILE 23 5.592 -3.376 10.617 174 HD11 ILE 23 HD11 ILE 23 8.481 0.087 9.598 175 HD12 ILE 23 HD12 ILE 23 9.520 -1.318 9.361 176 HD13 ILE 23 HD13 ILE 23 8.803 -1.008 10.942 177 H ASP 24 H ASP 24 3.202 -0.331 8.488 178 HA ASP 24 HA ASP 24 1.735 0.838 10.694 179 HB2 ASP 24 HB2 ASP 24 0.904 1.217 8.419 180 HB3 ASP 24 HB3 ASP 24 0.724 -0.521 8.180 181 H ASN 25 H ASN 25 1.110 -0.257 12.420 182 HA ASN 25 HA ASN 25 1.163 -3.187 12.266 183 HB2 ASN 25 HB2 ASN 25 2.847 -2.450 13.771 184 HB3 ASN 25 HB3 ASN 25 1.758 -1.301 14.537 185 HD21 ASN 25 HD21 ASN 25 0.364 -1.984 16.091 186 HD22 ASN 25 HD22 ASN 25 0.412 -3.567 16.786 187 H ASP 26 H ASP 26 -0.799 -3.973 12.068 188 HA ASP 26 HA ASP 26 -2.484 -4.056 14.271 189 HB2 ASP 26 HB2 ASP 26 -3.078 -1.707 13.409 190 HB3 ASP 26 HB3 ASP 26 -3.834 -2.526 12.043 191 H ASN 27 H ASN 27 -2.501 -4.158 10.709 192 HA ASN 27 HA ASN 27 -3.864 -6.769 10.879 193 HB2 ASN 27 HB2 ASN 27 -4.327 -4.598 8.822 194 HB3 ASN 27 HB3 ASN 27 -5.043 -6.204 8.776 195 HD21 ASN 27 HD21 ASN 27 -5.133 -3.072 10.171 196 HD22 ASN 27 HD22 ASN 27 -6.577 -3.287 11.100 197 H CYS 28 H CYS 28 -3.780 -7.844 8.643 198 HA CYS 28 HA CYS 28 -1.212 -7.355 7.290 199 HG CYS 28 HG CYS 28 -2.885 -11.712 7.486 200 HB2 CYS 28 HB2 CYS 28 -1.310 -9.763 6.603 201 HB3 CYS 28 HB3 CYS 28 -1.127 -9.535 8.338 202 H THR 29 H THR 29 -4.589 -7.460 7.160 203 HA THR 29 HA THR 29 -4.674 -7.363 4.237 204 HB THR 29 HB THR 29 -6.899 -7.353 6.294 205 HG1 THR 29 HG1 THR 29 -6.285 -9.415 6.235 206 HG21 THR 29 HG21 THR 29 -8.407 -7.714 4.375 207 HG22 THR 29 HG22 THR 29 -7.044 -7.482 3.280 208 HG23 THR 29 HG23 THR 29 -7.593 -6.151 4.298 209 H SER 30 H SER 30 -4.524 -5.424 3.263 210 HA SER 30 HA SER 30 -4.911 -3.026 4.909 211 HG SER 30 HG SER 30 -2.992 -1.130 2.615 212 HB2 SER 30 HB2 SER 30 -2.757 -3.363 3.593 213 HB3 SER 30 HB3 SER 30 -3.718 -3.149 2.130 214 H LYS 31 H LYS 31 -6.209 -1.302 4.180 215 HA LYS 31 HA LYS 31 -8.168 -2.052 2.115 216 HB2 LYS 31 HB2 LYS 31 -8.955 -0.226 4.347 217 HB3 LYS 31 HB3 LYS 31 -9.961 -1.269 3.359 218 HG2 LYS 31 HG2 LYS 31 -10.025 -2.248 5.451 219 HG3 LYS 31 HG3 LYS 31 -8.811 -3.204 4.597 220 HD2 LYS 31 HD2 LYS 31 -7.038 -2.166 5.706 221 HD3 LYS 31 HD3 LYS 31 -8.040 -0.811 6.215 222 HE2 LYS 31 HE2 LYS 31 -7.580 -2.212 8.123 223 HE3 LYS 31 HE3 LYS 31 -9.284 -2.365 7.704 224 HZ1 LYS 31 HZ1 LYS 31 -7.150 -4.297 6.962 225 HZ2 LYS 31 HZ2 LYS 31 -8.798 -4.448 6.588 226 HZ3 LYS 31 HZ3 LYS 31 -8.288 -4.508 8.205 227 H PHE 32 H PHE 32 -7.942 -0.770 0.485 228 HA PHE 32 HA PHE 32 -6.829 1.918 0.898 229 HD1 PHE 32 HD2 PHE 32 -4.599 2.867 -0.481 230 HD2 PHE 32 HD1 PHE 32 -7.516 1.637 -3.329 231 HE1 PHE 32 HE2 PHE 32 -4.059 4.820 -1.873 232 HE2 PHE 32 HE1 PHE 32 -6.977 3.588 -4.726 233 HZ PHE 32 HZ PHE 32 -5.250 5.185 -3.999 234 HB2 PHE 32 HB2 PHE 32 -5.497 0.518 -0.584 235 HB3 PHE 32 HB3 PHE 32 -6.907 0.189 -1.585 236 H SER 33 H SER 33 -8.253 3.498 0.892 237 HA SER 33 HA SER 33 -10.652 3.249 -0.778 238 HG SER 33 HG SER 33 -10.076 3.677 2.815 239 HB2 SER 33 HB2 SER 33 -11.401 5.154 0.916 240 HB3 SER 33 HB3 SER 33 -11.556 3.446 1.328 241 H ARG 34 H ARG 34 -11.061 4.688 -2.268 242 HA ARG 34 HA ARG 34 -9.940 7.373 -2.115 243 HE ARG 34 HE ARG 34 -8.933 8.926 -2.287 244 HB2 ARG 34 HB2 ARG 34 -9.204 5.346 -4.123 245 HB3 ARG 34 HB3 ARG 34 -9.677 6.898 -4.791 246 HG2 ARG 34 HG2 ARG 34 -7.683 6.821 -2.577 247 HG3 ARG 34 HG3 ARG 34 -7.182 6.390 -4.211 248 HD2 ARG 34 HD2 ARG 34 -6.759 8.734 -3.827 249 HD3 ARG 34 HD3 ARG 34 -8.040 8.550 -5.021 250 HH11 ARG 34 HH11 ARG 34 -8.075 10.485 -5.314 251 HH12 ARG 34 HH12 ARG 34 -9.017 11.913 -4.987 252 HH21 ARG 34 HH21 ARG 34 -10.166 10.801 -1.861 253 HH22 ARG 34 HH22 ARG 34 -10.226 12.085 -3.037 254 H PHE 35 H PHE 35 -11.185 8.898 -3.238 255 HA PHE 35 HA PHE 35 -13.864 7.914 -3.934 256 HD1 PHE 35 HD2 PHE 35 -15.183 7.953 -1.687 257 HD2 PHE 35 HD1 PHE 35 -12.132 10.845 -1.031 258 HE1 PHE 35 HE2 PHE 35 -15.091 7.314 0.688 259 HE2 PHE 35 HE1 PHE 35 -12.035 10.211 1.343 260 HZ PHE 35 HZ PHE 35 -13.517 8.446 2.206 261 HB2 PHE 35 HB2 PHE 35 -13.137 10.726 -3.104 262 HB3 PHE 35 HB3 PHE 35 -14.747 10.029 -3.231 263 H PHE 36 H PHE 36 -14.509 8.124 -5.958 264 HA PHE 36 HA PHE 36 -12.975 9.926 -7.719 265 HD1 PHE 36 HD1 PHE 36 -10.927 8.836 -9.212 266 HD2 PHE 36 HD2 PHE 36 -12.904 5.776 -7.008 267 HE1 PHE 36 HE1 PHE 36 -8.750 7.841 -8.645 268 HE2 PHE 36 HE2 PHE 36 -10.728 4.778 -6.438 269 HZ PHE 36 HZ PHE 36 -8.651 5.811 -7.258 270 HB2 PHE 36 HB2 PHE 36 -14.152 7.221 -8.382 271 HB3 PHE 36 HB3 PHE 36 -13.356 8.293 -9.532 272 H ALA 37 H ALA 37 -14.222 10.509 -9.734 273 HA ALA 37 HA ALA 37 -16.766 11.557 -8.907 274 HB1 ALA 37 HB1 ALA 37 -16.787 12.711 -11.032 275 HB2 ALA 37 HB2 ALA 37 -15.435 11.733 -11.604 276 HB3 ALA 37 HB3 ALA 37 -15.203 12.867 -10.274 277 H THR 38 H THR 38 -15.680 8.919 -10.930 278 HA THR 38 HA THR 38 -18.500 8.153 -11.272 279 HB THR 38 HB THR 38 -17.942 7.177 -13.475 280 HG1 THR 38 HG1 THR 38 -15.774 8.439 -14.184 281 HG21 THR 38 HG21 THR 38 -17.783 9.276 -14.743 282 HG22 THR 38 HG22 THR 38 -17.341 10.129 -13.264 283 HG23 THR 38 HG23 THR 38 -18.940 9.401 -13.417 284 H ARG 39 H ARG 39 -18.888 5.891 -11.359 285 HA ARG 39 HA ARG 39 -17.221 4.246 -9.796 286 HE ARG 39 HE ARG 39 -19.061 -0.678 -11.172 287 HB2 ARG 39 HB2 ARG 39 -19.530 3.702 -9.955 288 HB3 ARG 39 HB3 ARG 39 -19.475 3.632 -11.707 289 HG2 ARG 39 HG2 ARG 39 -18.115 1.618 -11.601 290 HG3 ARG 39 HG3 ARG 39 -18.105 1.708 -9.837 291 HD2 ARG 39 HD2 ARG 39 -20.547 1.477 -9.825 292 HD3 ARG 39 HD3 ARG 39 -20.539 1.362 -11.585 293 HH11 ARG 39 HH11 ARG 39 -21.521 0.418 -8.927 294 HH12 ARG 39 HH12 ARG 39 -21.866 -1.180 -8.329 295 HH21 ARG 39 HH21 ARG 39 -19.533 -2.794 -10.399 296 HH22 ARG 39 HH22 ARG 39 -20.769 -3.002 -9.183 297 H GLU 40 H GLU 40 -17.302 4.974 -13.190 298 HA GLU 40 HA GLU 40 -15.637 2.983 -14.216 299 HB2 GLU 40 HB2 GLU 40 -15.869 5.901 -14.947 300 HB3 GLU 40 HB3 GLU 40 -14.977 4.716 -15.886 301 HG2 GLU 40 HG2 GLU 40 -17.018 3.468 -16.277 302 HG3 GLU 40 HG3 GLU 40 -17.923 4.632 -15.308 303 H GLU 41 H GLU 41 -14.791 6.208 -13.000 304 HA GLU 41 HA GLU 41 -12.034 6.056 -13.082 305 HB2 GLU 41 HB2 GLU 41 -13.926 7.438 -11.199 306 HB3 GLU 41 HB3 GLU 41 -12.187 7.615 -11.033 307 HG2 GLU 41 HG2 GLU 41 -13.654 8.234 -13.574 308 HG3 GLU 41 HG3 GLU 41 -13.394 9.422 -12.299 309 H ALA 42 H ALA 42 -14.257 4.677 -10.764 310 HA ALA 42 HA ALA 42 -12.314 4.019 -8.790 311 HB1 ALA 42 HB1 ALA 42 -14.059 2.683 -7.769 312 HB2 ALA 42 HB2 ALA 42 -15.028 2.785 -9.238 313 HB3 ALA 42 HB3 ALA 42 -14.717 4.237 -8.286 314 H GLU 43 H GLU 43 -13.981 2.081 -11.273 315 HA GLU 43 HA GLU 43 -12.497 -0.277 -10.678 316 HB2 GLU 43 HB2 GLU 43 -14.232 0.465 -13.032 317 HB3 GLU 43 HB3 GLU 43 -13.512 -1.126 -12.816 318 HG2 GLU 43 HG2 GLU 43 -14.699 -1.315 -10.649 319 HG3 GLU 43 HG3 GLU 43 -15.497 0.217 -10.995 320 H SER 44 H SER 44 -11.942 2.446 -12.757 321 HA SER 44 HA SER 44 -9.937 1.231 -14.382 322 HG SER 44 HG SER 44 -12.155 3.246 -14.716 323 HB2 SER 44 HB2 SER 44 -10.328 4.156 -13.684 324 HB3 SER 44 HB3 SER 44 -9.337 3.532 -15.003 325 H PHE 45 H PHE 45 -9.959 2.816 -11.256 326 HA PHE 45 HA PHE 45 -7.100 3.000 -11.108 327 HD1 PHE 45 HD2 PHE 45 -6.940 5.687 -10.439 328 HD2 PHE 45 HD1 PHE 45 -7.077 3.034 -7.119 329 HE1 PHE 45 HE2 PHE 45 -4.993 6.827 -9.456 330 HE2 PHE 45 HE1 PHE 45 -5.132 4.169 -6.128 331 HZ PHE 45 HZ PHE 45 -4.086 6.065 -7.297 332 HB2 PHE 45 HB2 PHE 45 -8.987 4.357 -9.845 333 HB3 PHE 45 HB3 PHE 45 -8.834 3.052 -8.673 334 H MET 46 H MET 46 -9.542 0.682 -10.297 335 HA MET 46 HA MET 46 -8.133 -0.967 -8.526 336 HB2 MET 46 HB2 MET 46 -10.533 -1.209 -8.923 337 HB3 MET 46 HB3 MET 46 -10.228 -1.706 -10.581 338 HG2 MET 46 HG2 MET 46 -10.752 -3.616 -9.187 339 HG3 MET 46 HG3 MET 46 -9.096 -3.709 -9.783 340 HE1 MET 46 HE1 MET 46 -11.361 -2.737 -6.749 341 HE2 MET 46 HE2 MET 46 -10.300 -1.334 -6.884 342 HE3 MET 46 HE3 MET 46 -10.170 -2.407 -5.490 343 H THR 47 H THR 47 -8.058 -0.697 -12.017 344 HA THR 47 HA THR 47 -6.728 -3.019 -12.720 345 HB THR 47 HB THR 47 -6.279 -0.279 -13.922 346 HG1 THR 47 HG1 THR 47 -8.215 -0.480 -14.749 347 HG21 THR 47 HG21 THR 47 -4.653 -1.955 -14.659 348 HG22 THR 47 HG22 THR 47 -5.752 -1.528 -15.970 349 HG23 THR 47 HG23 THR 47 -5.966 -3.046 -15.098 350 H LYS 48 H LYS 48 -5.281 0.136 -11.841 351 HA LYS 48 HA LYS 48 -2.641 -0.905 -12.026 352 HB2 LYS 48 HB2 LYS 48 -1.913 1.236 -11.029 353 HB3 LYS 48 HB3 LYS 48 -2.896 1.396 -12.473 354 HG2 LYS 48 HG2 LYS 48 -4.854 1.800 -10.918 355 HG3 LYS 48 HG3 LYS 48 -3.653 1.970 -9.633 356 HD2 LYS 48 HD2 LYS 48 -3.848 3.603 -12.162 357 HD3 LYS 48 HD3 LYS 48 -4.172 4.140 -10.519 358 HE2 LYS 48 HE2 LYS 48 -1.899 4.017 -9.911 359 HE3 LYS 48 HE3 LYS 48 -1.494 3.072 -11.341 360 HZ1 LYS 48 HZ1 LYS 48 -2.261 5.946 -11.272 361 HZ2 LYS 48 HZ2 LYS 48 -2.047 5.046 -12.693 362 HZ3 LYS 48 HZ3 LYS 48 -0.738 5.300 -11.654 363 H LEU 49 H LEU 49 -4.943 -0.663 -9.429 364 HA LEU 49 HA LEU 49 -3.200 -1.273 -7.296 365 HG LEU 49 HG LEU 49 -6.383 -0.447 -5.655 366 HB2 LEU 49 HB2 LEU 49 -6.114 -1.528 -7.795 367 HB3 LEU 49 HB3 LEU 49 -5.453 -2.547 -6.533 368 HD11 LEU 49 HD11 LEU 49 -3.390 -0.614 -5.369 369 HD12 LEU 49 HD12 LEU 49 -4.560 -1.592 -4.483 370 HD13 LEU 49 HD13 LEU 49 -4.515 0.156 -4.247 371 HD21 LEU 49 HD21 LEU 49 -5.256 1.670 -6.072 372 HD22 LEU 49 HD22 LEU 49 -5.917 0.995 -7.562 373 HD23 LEU 49 HD23 LEU 49 -4.188 0.881 -7.232 374 H LYS 50 H LYS 50 -4.956 -3.380 -9.571 375 HA LYS 50 HA LYS 50 -4.027 -5.823 -8.558 376 HB2 LYS 50 HB2 LYS 50 -4.773 -5.085 -11.392 377 HB3 LYS 50 HB3 LYS 50 -4.549 -6.728 -10.810 378 HG2 LYS 50 HG2 LYS 50 -6.709 -4.773 -10.099 379 HG3 LYS 50 HG3 LYS 50 -6.861 -6.384 -10.806 380 HD2 LYS 50 HD2 LYS 50 -5.782 -7.212 -8.632 381 HD3 LYS 50 HD3 LYS 50 -6.181 -5.624 -7.988 382 HE2 LYS 50 HE2 LYS 50 -7.929 -7.197 -7.423 383 HE3 LYS 50 HE3 LYS 50 -8.540 -6.000 -8.563 384 HZ1 LYS 50 HZ1 LYS 50 -7.595 -8.708 -9.341 385 HZ2 LYS 50 HZ2 LYS 50 -8.371 -7.570 -10.336 386 HZ3 LYS 50 HZ3 LYS 50 -9.220 -8.306 -9.067 387 H GLU 51 H GLU 51 -2.651 -3.632 -10.981 388 HA GLU 51 HA GLU 51 -0.457 -5.188 -11.750 389 HB2 GLU 51 HB2 GLU 51 -0.553 -2.175 -11.477 390 HB3 GLU 51 HB3 GLU 51 0.576 -3.092 -12.463 391 HG2 GLU 51 HG2 GLU 51 -1.273 -3.873 -13.852 392 HG3 GLU 51 HG3 GLU 51 -2.401 -2.943 -12.869 393 H LEU 52 H LEU 52 -0.846 -2.872 -9.121 394 HA LEU 52 HA LEU 52 1.804 -3.110 -8.128 395 HG LEU 52 HG LEU 52 0.371 -0.642 -8.715 396 HB2 LEU 52 HB2 LEU 52 -0.750 -2.019 -6.985 397 HB3 LEU 52 HB3 LEU 52 0.738 -2.036 -6.063 398 HD11 LEU 52 HD11 LEU 52 0.499 0.481 -5.919 399 HD12 LEU 52 HD12 LEU 52 -0.929 0.428 -6.952 400 HD13 LEU 52 HD13 LEU 52 0.454 1.422 -7.409 401 HD21 LEU 52 HD21 LEU 52 2.650 -0.596 -6.740 402 HD22 LEU 52 HD22 LEU 52 2.542 0.355 -8.222 403 HD23 LEU 52 HD23 LEU 52 2.660 -1.403 -8.308 404 H ALA 53 H ALA 53 -1.241 -4.704 -7.346 405 HA ALA 53 HA ALA 53 -0.434 -6.017 -5.007 406 HB1 ALA 53 HB1 ALA 53 -2.770 -5.869 -5.728 407 HB2 ALA 53 HB2 ALA 53 -2.297 -7.536 -5.400 408 HB3 ALA 53 HB3 ALA 53 -2.425 -6.967 -7.064 409 H ALA 54 H ALA 54 -0.110 -6.929 -8.402 410 HA ALA 54 HA ALA 54 0.853 -9.547 -7.982 411 HB1 ALA 54 HB1 ALA 54 1.603 -9.461 -10.293 412 HB2 ALA 54 HB2 ALA 54 1.390 -7.711 -10.313 413 HB3 ALA 54 HB3 ALA 54 -0.012 -8.768 -10.141 414 H ALA 55 H ALA 55 2.430 -6.430 -7.947 415 HA ALA 55 HA ALA 55 5.094 -7.494 -8.046 416 HB1 ALA 55 HB1 ALA 55 4.145 -4.759 -7.203 417 HB2 ALA 55 HB2 ALA 55 4.604 -5.231 -8.839 418 HB3 ALA 55 HB3 ALA 55 5.812 -5.217 -7.554 419 H ALA 56 H ALA 56 2.975 -6.206 -5.510 420 HA ALA 56 HA ALA 56 4.836 -6.516 -3.391 421 HB1 ALA 56 HB1 ALA 56 2.917 -4.971 -3.311 422 HB2 ALA 56 HB2 ALA 56 2.961 -6.061 -1.925 423 HB3 ALA 56 HB3 ALA 56 1.828 -6.357 -3.243 424 H SER 57 H SER 57 2.023 -8.444 -4.381 425 HA SER 57 HA SER 57 3.097 -10.674 -2.789 426 HG SER 57 HG SER 57 0.393 -9.486 -4.478 427 HB2 SER 57 HB2 SER 57 0.725 -11.515 -2.767 428 HB3 SER 57 HB3 SER 57 0.962 -9.994 -1.904 429 H SER 58 H SER 58 3.899 -12.284 -3.947 430 HA SER 58 HA SER 58 3.625 -12.366 -6.780 431 HG SER 58 HG SER 58 5.861 -12.107 -5.866 432 HB2 SER 58 HB2 SER 58 4.722 -14.545 -4.993 433 HB3 SER 58 HB3 SER 58 5.099 -14.260 -6.693 434 H ALA 59 H ALA 59 3.159 -15.242 -4.789 435 HA ALA 59 HA ALA 59 1.662 -16.901 -4.801 436 HB1 ALA 59 HB1 ALA 59 -0.252 -14.613 -5.258 437 HB2 ALA 59 HB2 ALA 59 0.309 -15.204 -3.694 438 HB3 ALA 59 HB3 ALA 59 -0.695 -16.232 -4.716 439 H ASP 60 H ASP 60 -0.616 -17.340 -6.127 440 HA ASP 60 HA ASP 60 0.247 -17.917 -8.816 441 HB2 ASP 60 HB2 ASP 60 -2.356 -18.399 -7.361 442 HB3 ASP 60 HB3 ASP 60 -2.131 -18.802 -9.060 443 H GLU 61 H GLU 61 -2.307 -15.947 -7.341 444 HA GLU 61 HA GLU 61 -2.358 -14.294 -9.783 445 HB2 GLU 61 HB2 GLU 61 -4.718 -15.214 -8.130 446 HB3 GLU 61 HB3 GLU 61 -4.808 -14.064 -9.460 447 HG2 GLU 61 HG2 GLU 61 -4.156 -15.734 -11.036 448 HG3 GLU 61 HG3 GLU 61 -3.796 -16.879 -9.746 449 H GLY 62 H GLY 62 -1.195 -14.152 -6.939 450 HA2 GLY 62 HA2 GLY 62 -0.562 -12.188 -5.815 451 HA3 GLY 62 HA3 GLY 62 -1.954 -11.369 -6.514 452 H ALA 63 H ALA 63 -1.799 -10.733 -4.074 453 HA ALA 63 HA ALA 63 -2.817 -12.522 -2.131 454 HB1 ALA 63 HB1 ALA 63 -3.144 -10.536 -0.758 455 HB2 ALA 63 HB2 ALA 63 -2.892 -9.508 -2.169 456 HB3 ALA 63 HB3 ALA 63 -1.569 -10.498 -1.553 457 H SER 64 H SER 64 -4.903 -12.076 -0.942 458 HA SER 64 HA SER 64 -7.090 -12.325 -2.766 459 HG SER 64 HG SER 64 -6.398 -14.071 -1.381 460 HB2 SER 64 HB2 SER 64 -7.120 -11.994 0.245 461 HB3 SER 64 HB3 SER 64 -8.448 -12.581 -0.755 462 H VAL 65 H VAL 65 -8.730 -10.863 -3.205 463 HA VAL 65 HA VAL 65 -8.424 -8.176 -2.088 464 HB VAL 65 HB VAL 65 -7.194 -8.057 -4.141 465 HG11 VAL 65 HG11 VAL 65 -9.633 -9.167 -5.524 466 HG12 VAL 65 HG12 VAL 65 -8.104 -10.010 -5.273 467 HG13 VAL 65 HG13 VAL 65 -8.166 -8.591 -6.318 468 HG21 VAL 65 HG21 VAL 65 -8.434 -6.330 -5.341 469 HG22 VAL 65 HG22 VAL 65 -8.594 -6.131 -3.595 470 HG23 VAL 65 HG23 VAL 65 -9.919 -6.825 -4.530 471 H ALA 66 H ALA 66 -10.264 -7.673 -1.193 472 HA ALA 66 HA ALA 66 -12.769 -8.322 -2.616 473 HB1 ALA 66 HB1 ALA 66 -12.364 -7.896 0.348 474 HB2 ALA 66 HB2 ALA 66 -12.625 -9.449 -0.445 475 HB3 ALA 66 HB3 ALA 66 -13.902 -8.233 -0.447 476 H TYR 67 H TYR 67 -13.431 -6.535 -3.668 477 HA TYR 67 HA TYR 67 -12.560 -3.956 -2.575 478 HD1 TYR 67 HD2 TYR 67 -15.122 -3.233 -5.751 479 HD2 TYR 67 HD1 TYR 67 -12.342 -6.438 -6.083 480 HE1 TYR 67 HE2 TYR 67 -16.490 -4.225 -7.533 481 HE2 TYR 67 HE1 TYR 67 -13.706 -7.435 -7.874 482 HH TYR 67 HH TYR 67 -16.005 -7.390 -8.696 483 HB2 TYR 67 HB2 TYR 67 -12.825 -3.062 -4.826 484 HB3 TYR 67 HB3 TYR 67 -11.770 -4.467 -4.830 485 H LYS 68 H LYS 68 -13.923 -2.248 -2.307 486 HA LYS 68 HA LYS 68 -16.799 -2.817 -2.485 487 HB2 LYS 68 HB2 LYS 68 -15.321 -0.652 -0.985 488 HB3 LYS 68 HB3 LYS 68 -17.067 -0.836 -1.025 489 HG2 LYS 68 HG2 LYS 68 -17.011 -2.769 0.259 490 HG3 LYS 68 HG3 LYS 68 -15.287 -3.011 -0.035 491 HD2 LYS 68 HD2 LYS 68 -14.890 -0.837 1.165 492 HD3 LYS 68 HD3 LYS 68 -16.593 -0.859 1.616 493 HE2 LYS 68 HE2 LYS 68 -16.313 -2.811 2.923 494 HE3 LYS 68 HE3 LYS 68 -14.701 -3.103 2.264 495 HZ1 LYS 68 HZ1 LYS 68 -15.471 -0.782 3.954 496 HZ2 LYS 68 HZ2 LYS 68 -13.921 -1.095 3.334 497 HZ3 LYS 68 HZ3 LYS 68 -14.602 -2.135 4.488 498 H ILE 69 H ILE 69 -18.049 -1.670 -3.740 499 HA ILE 69 HA ILE 69 -17.073 0.855 -4.866 500 HB ILE 69 HB ILE 69 -18.568 -1.233 -6.474 501 HG12 ILE 69 HG12 ILE 69 -15.750 -0.169 -6.763 502 HG13 ILE 69 HG13 ILE 69 -16.185 -1.779 -6.201 503 HG21 ILE 69 HG21 ILE 69 -19.276 1.032 -7.018 504 HG22 ILE 69 HG22 ILE 69 -18.323 0.353 -8.338 505 HG23 ILE 69 HG23 ILE 69 -17.596 1.520 -7.235 506 HD11 ILE 69 HD11 ILE 69 -17.154 -2.280 -8.381 507 HD12 ILE 69 HD12 ILE 69 -15.459 -1.812 -8.518 508 HD13 ILE 69 HD13 ILE 69 -16.726 -0.663 -8.943 509 H LYS 70 H LYS 70 -18.341 2.211 -3.764 510 HA LYS 70 HA LYS 70 -21.205 1.582 -3.579 511 HB2 LYS 70 HB2 LYS 70 -20.038 2.003 -1.451 512 HB3 LYS 70 HB3 LYS 70 -19.602 3.607 -2.018 513 HG2 LYS 70 HG2 LYS 70 -21.887 4.300 -2.025 514 HG3 LYS 70 HG3 LYS 70 -22.438 2.657 -1.685 515 HD2 LYS 70 HD2 LYS 70 -21.333 2.724 0.486 516 HD3 LYS 70 HD3 LYS 70 -20.731 4.346 0.141 517 HE2 LYS 70 HE2 LYS 70 -22.696 4.409 1.598 518 HE3 LYS 70 HE3 LYS 70 -23.010 5.193 0.051 519 HZ1 LYS 70 HZ1 LYS 70 -23.818 2.416 0.742 520 HZ2 LYS 70 HZ2 LYS 70 -24.187 3.246 -0.691 521 HZ3 LYS 70 HZ3 LYS 70 -24.843 3.766 0.780 522 H ASP 71 H ASP 71 -22.499 2.539 -4.881 523 HA ASP 71 HA ASP 71 -21.589 4.649 -6.628 524 HB2 ASP 71 HB2 ASP 71 -24.397 3.548 -6.495 525 HB3 ASP 71 HB3 ASP 71 -23.553 4.231 -7.872 526 H LEU 72 H LEU 72 -21.438 6.548 -5.446 527 HA LEU 72 HA LEU 72 -23.700 7.332 -3.766 528 HG LEU 72 HG LEU 72 -21.015 6.424 -2.727 529 HB2 LEU 72 HB2 LEU 72 -20.938 8.504 -4.092 530 HB3 LEU 72 HB3 LEU 72 -22.177 9.189 -3.058 531 HD11 LEU 72 HD11 LEU 72 -19.847 7.366 -0.790 532 HD12 LEU 72 HD12 LEU 72 -20.445 8.971 -1.213 533 HD13 LEU 72 HD13 LEU 72 -19.334 8.131 -2.294 534 HD21 LEU 72 HD21 LEU 72 -22.155 6.473 -0.576 535 HD22 LEU 72 HD22 LEU 72 -23.305 6.671 -1.898 536 HD23 LEU 72 HD23 LEU 72 -22.807 8.069 -0.945 537 H GLU 73 H GLU 73 -23.765 9.954 -3.807 538 HA GLU 73 HA GLU 73 -24.744 10.545 -6.491 539 HB2 GLU 73 HB2 GLU 73 -26.154 10.884 -4.436 540 HB3 GLU 73 HB3 GLU 73 -25.043 12.158 -3.957 541 HG2 GLU 73 HG2 GLU 73 -25.580 13.336 -6.072 542 HG3 GLU 73 HG3 GLU 73 -26.805 12.107 -6.393 543 H GLY 74 H GLY 74 -22.982 11.111 -7.693 544 HA2 GLY 74 HA2 GLY 74 -21.811 13.008 -8.553 545 HA3 GLY 74 HA3 GLY 74 -21.696 13.638 -6.916 546 H GLN 75 H GLN 75 -20.955 10.705 -6.197 547 HA GLN 75 HA GLN 75 -18.304 10.489 -7.334 548 HB2 GLN 75 HB2 GLN 75 -17.164 10.517 -5.148 549 HB3 GLN 75 HB3 GLN 75 -17.890 12.072 -5.526 550 HG2 GLN 75 HG2 GLN 75 -19.662 11.712 -3.987 551 HG3 GLN 75 HG3 GLN 75 -19.208 10.023 -3.766 552 HE21 GLN 75 HE21 GLN 75 -17.484 9.510 -2.455 553 HE22 GLN 75 HE22 GLN 75 -16.755 10.646 -1.380 554 H VAL 76 H VAL 76 -17.138 8.591 -6.170 555 HA VAL 76 HA VAL 76 -19.046 6.601 -5.161 556 HB VAL 76 HB VAL 76 -17.903 4.822 -6.468 557 HG11 VAL 76 HG11 VAL 76 -19.014 5.283 -8.595 558 HG12 VAL 76 HG12 VAL 76 -19.188 6.978 -8.139 559 HG13 VAL 76 HG13 VAL 76 -20.035 5.728 -7.228 560 HG21 VAL 76 HG21 VAL 76 -16.557 5.445 -8.416 561 HG22 VAL 76 HG22 VAL 76 -15.806 5.962 -6.906 562 HG23 VAL 76 HG23 VAL 76 -16.639 7.137 -7.924 563 H GLU 77 H GLU 77 -18.095 4.978 -3.847 564 HA GLU 77 HA GLU 77 -15.467 5.724 -2.770 565 HB2 GLU 77 HB2 GLU 77 -17.774 4.168 -1.627 566 HB3 GLU 77 HB3 GLU 77 -16.162 4.040 -0.938 567 HG2 GLU 77 HG2 GLU 77 -16.137 6.411 -0.491 568 HG3 GLU 77 HG3 GLU 77 -17.715 6.584 -1.244 569 H LEU 78 H LEU 78 -13.849 4.665 -3.617 570 HA LEU 78 HA LEU 78 -14.180 1.817 -4.271 571 HG LEU 78 HG LEU 78 -11.631 2.013 -6.943 572 HB2 LEU 78 HB2 LEU 78 -13.265 3.416 -6.015 573 HB3 LEU 78 HB3 LEU 78 -11.862 3.620 -4.989 574 HD11 LEU 78 HD11 LEU 78 -10.305 0.395 -5.689 575 HD12 LEU 78 HD12 LEU 78 -11.049 0.949 -4.189 576 HD13 LEU 78 HD13 LEU 78 -10.024 2.040 -5.120 577 HD21 LEU 78 HD21 LEU 78 -13.782 0.909 -6.759 578 HD22 LEU 78 HD22 LEU 78 -13.343 0.282 -5.170 579 HD23 LEU 78 HD23 LEU 78 -12.471 -0.259 -6.604 580 H ASP 79 H ASP 79 -13.676 0.543 -2.655 581 HA ASP 79 HA ASP 79 -11.327 1.184 -1.006 582 HB2 ASP 79 HB2 ASP 79 -13.308 1.891 0.279 583 HB3 ASP 79 HB3 ASP 79 -14.001 0.283 0.105 584 H ALA 80 H ALA 80 -9.988 -0.385 -1.591 585 HA ALA 80 HA ALA 80 -11.084 -3.079 -2.006 586 HB1 ALA 80 HB1 ALA 80 -9.042 -3.529 -3.273 587 HB2 ALA 80 HB2 ALA 80 -8.459 -1.906 -2.907 588 HB3 ALA 80 HB3 ALA 80 -9.897 -2.122 -3.905 589 H ALA 81 H ALA 81 -10.743 -4.584 -0.546 590 HA ALA 81 HA ALA 81 -8.683 -4.177 1.484 591 HB1 ALA 81 HB1 ALA 81 -10.983 -4.712 2.204 592 HB2 ALA 81 HB2 ALA 81 -9.808 -5.914 2.739 593 HB3 ALA 81 HB3 ALA 81 -10.861 -6.260 1.366 594 H PHE 82 H PHE 82 -6.763 -4.991 1.089 595 HA PHE 82 HA PHE 82 -6.522 -7.392 -0.587 596 HD1 PHE 82 HD1 PHE 82 -4.665 -7.186 -2.938 597 HD2 PHE 82 HD2 PHE 82 -5.796 -3.530 -1.071 598 HE1 PHE 82 HE1 PHE 82 -5.173 -6.219 -5.144 599 HE2 PHE 82 HE2 PHE 82 -6.304 -2.561 -3.272 600 HZ PHE 82 HZ PHE 82 -5.994 -3.904 -5.312 601 HB2 PHE 82 HB2 PHE 82 -4.570 -5.208 0.137 602 HB3 PHE 82 HB3 PHE 82 -4.060 -6.704 -0.630 603 H THR 83 H THR 83 -6.388 -9.224 0.497 604 HA THR 83 HA THR 83 -5.332 -9.244 3.212 605 HB THR 83 HB THR 83 -6.579 -11.477 1.588 606 HG1 THR 83 HG1 THR 83 -7.582 -9.605 3.458 607 HG21 THR 83 HG21 THR 83 -5.911 -11.354 4.534 608 HG22 THR 83 HG22 THR 83 -5.043 -12.302 3.327 609 HG23 THR 83 HG23 THR 83 -6.722 -12.686 3.706 610 H PHE 84 H PHE 84 -3.173 -9.213 3.242 611 HA PHE 84 HA PHE 84 -1.660 -10.821 1.350 612 HD1 PHE 84 HD1 PHE 84 0.517 -9.302 0.095 613 HD2 PHE 84 HD2 PHE 84 -2.044 -6.991 2.584 614 HE1 PHE 84 HE1 PHE 84 0.391 -7.574 -1.648 615 HE2 PHE 84 HE2 PHE 84 -2.177 -5.255 0.840 616 HZ PHE 84 HZ PHE 84 -0.959 -5.549 -1.279 617 HB2 PHE 84 HB2 PHE 84 -0.819 -8.846 3.479 618 HB3 PHE 84 HB3 PHE 84 0.320 -9.754 2.491 619 H SER 85 H SER 85 0.229 -12.062 2.292 620 HA SER 85 HA SER 85 -0.834 -13.794 4.396 621 HG SER 85 HG SER 85 -0.148 -14.102 1.347 622 HB2 SER 85 HB2 SER 85 1.648 -14.171 2.703 623 HB3 SER 85 HB3 SER 85 0.830 -15.392 3.677 624 H CYS 86 H CYS 86 1.647 -11.474 3.759 625 HA CYS 86 HA CYS 86 2.692 -11.842 6.493 626 HG CYS 86 HG CYS 86 4.291 -12.861 2.833 627 HB2 CYS 86 HB2 CYS 86 4.306 -10.687 4.228 628 HB3 CYS 86 HB3 CYS 86 4.878 -11.362 5.750 629 H GLN 87 H GLN 87 3.551 -9.800 7.444 630 HA GLN 87 HA GLN 87 1.835 -7.572 6.768 631 HB2 GLN 87 HB2 GLN 87 2.272 -8.005 9.112 632 HB3 GLN 87 HB3 GLN 87 4.005 -7.848 8.852 633 HG2 GLN 87 HG2 GLN 87 3.874 -5.544 8.559 634 HG3 GLN 87 HG3 GLN 87 2.143 -5.586 8.240 635 HE21 GLN 87 HE21 GLN 87 0.712 -5.861 9.963 636 HE22 GLN 87 HE22 GLN 87 1.182 -5.534 11.599 637 H ALA 88 H ALA 88 5.170 -8.508 6.384 638 HA ALA 88 HA ALA 88 6.343 -6.120 5.635 639 HB1 ALA 88 HB1 ALA 88 6.904 -8.855 4.491 640 HB2 ALA 88 HB2 ALA 88 7.582 -8.205 5.984 641 HB3 ALA 88 HB3 ALA 88 7.982 -7.461 4.437 642 H GLU 89 H GLU 89 4.705 -8.495 3.554 643 HA GLU 89 HA GLU 89 5.008 -6.984 1.182 644 HB2 GLU 89 HB2 GLU 89 3.165 -8.540 0.332 645 HB3 GLU 89 HB3 GLU 89 4.670 -9.279 0.861 646 HG2 GLU 89 HG2 GLU 89 3.582 -9.732 3.058 647 HG3 GLU 89 HG3 GLU 89 2.069 -9.159 2.359 648 H MET 90 H MET 90 2.688 -6.870 3.759 649 HA MET 90 HA MET 90 0.660 -5.473 2.309 650 HB2 MET 90 HB2 MET 90 0.211 -6.785 4.378 651 HB3 MET 90 HB3 MET 90 1.114 -5.594 5.303 652 HG2 MET 90 HG2 MET 90 -1.245 -4.783 3.649 653 HG3 MET 90 HG3 MET 90 -1.457 -5.476 5.254 654 HE1 MET 90 HE1 MET 90 0.905 -4.392 6.940 655 HE2 MET 90 HE2 MET 90 -0.767 -4.293 7.497 656 HE3 MET 90 HE3 MET 90 0.270 -2.868 7.564 657 H ILE 91 H ILE 91 3.084 -4.429 4.713 658 HA ILE 91 HA ILE 91 2.425 -1.709 4.579 659 HB ILE 91 HB ILE 91 4.707 -1.335 5.584 660 HG12 ILE 91 HG12 ILE 91 4.773 -4.350 5.696 661 HG13 ILE 91 HG13 ILE 91 5.712 -3.401 4.555 662 HG21 ILE 91 HG21 ILE 91 4.077 -2.342 7.730 663 HG22 ILE 91 HG22 ILE 91 2.866 -3.320 6.900 664 HG23 ILE 91 HG23 ILE 91 2.709 -1.564 6.934 665 HD11 ILE 91 HD11 ILE 91 6.888 -2.337 6.402 666 HD12 ILE 91 HD12 ILE 91 7.050 -4.093 6.455 667 HD13 ILE 91 HD13 ILE 91 5.933 -3.276 7.549 668 H ILE 92 H ILE 92 4.876 -3.585 2.779 669 HA ILE 92 HA ILE 92 6.030 -1.316 1.548 670 HB ILE 92 HB ILE 92 7.054 -2.849 -0.047 671 HG12 ILE 92 HG12 ILE 92 6.612 -5.397 0.668 672 HG13 ILE 92 HG13 ILE 92 5.014 -4.737 0.996 673 HG21 ILE 92 HG21 ILE 92 8.068 -2.517 2.141 674 HG22 ILE 92 HG22 ILE 92 8.361 -4.150 1.545 675 HG23 ILE 92 HG23 ILE 92 7.137 -3.871 2.782 676 HD11 ILE 92 HD11 ILE 92 5.115 -5.676 -1.223 677 HD12 ILE 92 HD12 ILE 92 6.479 -4.634 -1.631 678 HD13 ILE 92 HD13 ILE 92 4.893 -3.929 -1.311 679 H PHE 93 H PHE 93 3.248 -3.261 0.810 680 HA PHE 93 HA PHE 93 2.723 -2.328 -1.791 681 HD1 PHE 93 HD2 PHE 93 1.172 -3.709 -3.289 682 HD2 PHE 93 HD1 PHE 93 -1.335 -2.391 -0.122 683 HE1 PHE 93 HE2 PHE 93 -0.679 -3.430 -4.882 684 HE2 PHE 93 HE1 PHE 93 -3.198 -2.112 -1.706 685 HZ PHE 93 HZ PHE 93 -2.869 -2.633 -4.092 686 HB2 PHE 93 HB2 PHE 93 1.560 -4.248 -0.757 687 HB3 PHE 93 HB3 PHE 93 0.769 -3.155 0.370 688 H GLU 94 H GLU 94 1.610 -1.172 1.387 689 HA GLU 94 HA GLU 94 0.270 1.131 0.588 690 HB2 GLU 94 HB2 GLU 94 1.887 0.604 3.083 691 HB3 GLU 94 HB3 GLU 94 0.860 2.015 2.862 692 HG2 GLU 94 HG2 GLU 94 -0.164 -0.803 2.672 693 HG3 GLU 94 HG3 GLU 94 -0.125 0.109 4.181 694 H LEU 95 H LEU 95 3.706 0.635 1.248 695 HA LEU 95 HA LEU 95 4.539 3.298 0.929 696 HG LEU 95 HG LEU 95 5.364 0.510 2.507 697 HB2 LEU 95 HB2 LEU 95 6.102 0.811 0.235 698 HB3 LEU 95 HB3 LEU 95 6.764 2.391 0.610 699 HD11 LEU 95 HD11 LEU 95 8.183 1.571 2.441 700 HD12 LEU 95 HD12 LEU 95 7.681 -0.058 1.991 701 HD13 LEU 95 HD13 LEU 95 7.506 0.487 3.659 702 HD21 LEU 95 HD21 LEU 95 5.766 2.175 4.236 703 HD22 LEU 95 HD22 LEU 95 4.710 2.818 2.978 704 HD23 LEU 95 HD23 LEU 95 6.409 3.289 3.031 705 H SER 96 H SER 96 4.600 0.614 -1.398 706 HA SER 96 HA SER 96 5.278 1.972 -3.695 707 HG SER 96 HG SER 96 5.171 -0.947 -2.492 708 HB2 SER 96 HB2 SER 96 3.288 -0.299 -3.467 709 HB3 SER 96 HB3 SER 96 4.192 0.151 -4.913 710 H LEU 97 H LEU 97 2.047 1.617 -2.244 711 HA LEU 97 HA LEU 97 0.561 2.888 -4.246 712 HG LEU 97 HG LEU 97 -0.036 0.604 -2.257 713 HB2 LEU 97 HB2 LEU 97 0.116 2.849 -1.258 714 HB3 LEU 97 HB3 LEU 97 -1.056 3.442 -2.417 715 HD11 LEU 97 HD11 LEU 97 -2.701 1.789 -1.489 716 HD12 LEU 97 HD12 LEU 97 -1.466 1.210 -0.372 717 HD13 LEU 97 HD13 LEU 97 -2.277 0.078 -1.454 718 HD21 LEU 97 HD21 LEU 97 -2.186 1.842 -3.972 719 HD22 LEU 97 HD22 LEU 97 -1.793 0.124 -3.886 720 HD23 LEU 97 HD23 LEU 97 -0.616 1.267 -4.530 721 H ARG 98 H ARG 98 2.154 4.221 -1.385 722 HA ARG 98 HA ARG 98 1.407 6.904 -1.783 723 HE ARG 98 HE ARG 98 3.735 7.874 1.582 724 HB2 ARG 98 HB2 ARG 98 3.676 5.630 -0.276 725 HB3 ARG 98 HB3 ARG 98 3.411 7.371 -0.292 726 HG2 ARG 98 HG2 ARG 98 1.272 7.125 0.731 727 HG3 ARG 98 HG3 ARG 98 1.345 5.370 0.569 728 HD2 ARG 98 HD2 ARG 98 1.843 6.152 2.842 729 HD3 ARG 98 HD3 ARG 98 3.167 5.247 2.120 730 HH11 ARG 98 HH11 ARG 98 3.136 6.026 4.496 731 HH12 ARG 98 HH12 ARG 98 4.172 7.001 5.487 732 HH21 ARG 98 HH21 ARG 98 5.105 9.149 2.864 733 HH22 ARG 98 HH22 ARG 98 5.317 8.773 4.556 734 H SER 99 H SER 99 3.963 4.965 -3.112 735 HA SER 99 HA SER 99 5.467 7.203 -4.109 736 HG SER 99 HG SER 99 7.251 6.522 -5.360 737 HB2 SER 99 HB2 SER 99 6.544 5.070 -3.457 738 HB3 SER 99 HB3 SER 99 5.697 4.259 -4.770 739 H LEU 100 H LEU 100 3.208 4.822 -5.477 740 HA LEU 100 HA LEU 100 3.630 5.901 -8.150 741 HG LEU 100 HG LEU 100 1.649 4.521 -9.756 742 HB2 LEU 100 HB2 LEU 100 3.398 3.419 -7.549 743 HB3 LEU 100 HB3 LEU 100 1.685 3.740 -7.406 744 HD11 LEU 100 HD11 LEU 100 3.963 5.231 -9.946 745 HD12 LEU 100 HD12 LEU 100 3.570 4.049 -11.194 746 HD13 LEU 100 HD13 LEU 100 4.506 3.562 -9.781 747 HD21 LEU 100 HD21 LEU 100 1.892 2.312 -10.782 748 HD22 LEU 100 HD22 LEU 100 1.046 2.229 -9.237 749 HD23 LEU 100 HD23 LEU 100 2.738 1.741 -9.344 750 H ALA 101 H ALA 101 0.825 5.286 -6.033 751 HA ALA 101 HA ALA 101 -0.902 6.846 -7.734 752 HB1 ALA 101 HB1 ALA 101 -1.413 5.645 -5.008 753 HB2 ALA 101 HB2 ALA 101 -1.784 4.893 -6.560 754 HB3 ALA 101 HB3 ALA 101 -2.634 6.356 -6.064 755 H LEU 102 H LEU 102 0.714 7.156 -4.662 756 HA LEU 102 HA LEU 102 1.358 8.894 -3.396 757 HG LEU 102 HG LEU 102 3.265 10.135 -4.120 758 HB2 LEU 102 HB2 LEU 102 1.626 9.780 -5.960 759 HB3 LEU 102 HB3 LEU 102 0.619 11.031 -5.256 760 HD11 LEU 102 HD11 LEU 102 3.557 11.219 -6.285 761 HD12 LEU 102 HD12 LEU 102 4.148 12.236 -4.971 762 HD13 LEU 102 HD13 LEU 102 2.597 12.592 -5.732 763 HD21 LEU 102 HD21 LEU 102 1.487 12.472 -3.443 764 HD22 LEU 102 HD22 LEU 102 3.089 12.171 -2.768 765 HD23 LEU 102 HD23 LEU 102 1.767 11.048 -2.441 766 H GLU 103 H GLU 103 -1.575 9.991 -5.148 767 HA GLU 103 HA GLU 103 -2.268 11.702 -2.959 768 HB2 GLU 103 HB2 GLU 103 -2.742 12.252 -5.345 769 HB3 GLU 103 HB3 GLU 103 -3.970 10.993 -5.351 770 HG2 GLU 103 HG2 GLU 103 -5.289 12.155 -3.750 771 HG3 GLU 103 HG3 GLU 103 -4.000 13.319 -3.446 772 H HIS 104 H HIS 104 -2.272 9.932 -1.376 773 HA HIS 104 HA HIS 104 -5.086 9.101 -1.031 774 HD1 HIS 104 HD1 HIS 104 -3.561 5.271 1.070 775 HD2 HIS 104 HD2 HIS 104 -6.502 8.163 0.481 776 HE1 HIS 104 HE1 HIS 104 -5.675 4.299 2.020 777 HE2 HIS 104 HE2 HIS 104 -7.470 5.983 1.467 778 HB2 HIS 104 HB2 HIS 104 -3.191 7.300 -0.925 779 HB3 HIS 104 HB3 HIS 104 -2.804 8.020 0.635 780 H HIS 105 H HIS 105 -4.876 11.561 -0.778 781 HA HIS 105 HA HIS 105 -4.801 13.481 0.378 782 HD1 HIS 105 HD1 HIS 105 -4.657 13.267 4.946 783 HD2 HIS 105 HD2 HIS 105 -5.881 15.364 1.573 784 HE1 HIS 105 HE1 HIS 105 -4.905 15.662 5.685 785 HE2 HIS 105 HE2 HIS 105 -5.419 16.936 3.568 786 HB2 HIS 105 HB2 HIS 105 -6.173 12.228 2.071 787 HB3 HIS 105 HB3 HIS 105 -4.675 11.838 2.915 788 H HIS 106 H HIS 106 -2.848 11.643 2.709 789 HA HIS 106 HA HIS 106 -0.342 12.199 1.606 790 HD1 HIS 106 HD1 HIS 106 0.778 14.618 5.246 791 HD2 HIS 106 HD2 HIS 106 1.971 13.878 1.329 792 HE1 HIS 106 HE1 HIS 106 3.277 14.924 5.226 793 HE2 HIS 106 HE2 HIS 106 3.958 14.605 2.819 794 HB2 HIS 106 HB2 HIS 106 -0.870 14.555 2.079 795 HB3 HIS 106 HB3 HIS 106 -1.151 14.158 3.769 796 H HIS 107 H HIS 107 -1.143 12.778 5.002 797 HA HIS 107 HA HIS 107 0.353 10.338 5.667 798 HD1 HIS 107 HD1 HIS 107 2.936 11.050 7.606 799 HD2 HIS 107 HD2 HIS 107 -0.685 10.778 9.630 800 HE1 HIS 107 HE1 HIS 107 3.428 9.757 9.705 801 HE2 HIS 107 HE2 HIS 107 1.164 9.345 10.726 802 HB2 HIS 107 HB2 HIS 107 1.123 12.529 6.626 803 HB3 HIS 107 HB3 HIS 107 -0.407 12.638 7.488 804 H HIS 108 H HIS 108 -1.346 8.871 5.306 805 HA HIS 108 HA HIS 108 -3.844 9.220 6.716 806 HD1 HIS 108 HD1 HIS 108 -4.487 4.892 5.169 807 HD2 HIS 108 HD2 HIS 108 -6.222 8.439 6.496 808 HE1 HIS 108 HE1 HIS 108 -6.833 4.291 5.868 809 HE2 HIS 108 HE2 HIS 108 -7.881 6.458 6.631 810 HB2 HIS 108 HB2 HIS 108 -3.727 8.125 4.475 811 HB3 HIS 108 HB3 HIS 108 -2.854 6.785 5.212 812 H HIS 109 H HIS 109 -1.076 7.005 6.890 813 HA HIS 109 HA HIS 109 -1.792 6.504 9.693 814 HD1 HIS 109 HD1 HIS 109 -2.061 2.328 9.767 815 HD2 HIS 109 HD2 HIS 109 -4.013 5.570 8.026 816 HE1 HIS 109 HE1 HIS 109 -4.521 1.800 9.891 817 HE2 HIS 109 HE2 HIS 109 -5.682 3.853 9.003 818 HB2 HIS 109 HB2 HIS 109 -0.907 4.553 7.589 819 HB3 HIS 109 HB3 HIS 109 -0.513 4.256 9.278 Start of MODEL 2 1 HA MET 1 HA MET 1 15.038 -35.668 24.358 2 H1 MET 1 H1 MET 1 15.262 -32.816 25.121 3 H2 MET 1 H2 MET 1 16.540 -33.928 25.024 4 H3 MET 1 H3 MET 1 15.324 -34.137 26.184 5 HB2 MET 1 HB2 MET 1 13.087 -34.699 25.609 6 HB3 MET 1 HB3 MET 1 12.930 -33.496 24.338 7 HG2 MET 1 HG2 MET 1 12.491 -35.262 22.712 8 HG3 MET 1 HG3 MET 1 12.665 -36.474 23.979 9 HE1 MET 1 HE1 MET 1 8.809 -36.492 23.169 10 HE2 MET 1 HE2 MET 1 10.277 -37.466 23.261 11 HE3 MET 1 HE3 MET 1 10.124 -36.212 22.027 12 H ALA 2 H ALA 2 16.456 -32.938 23.474 13 HA ALA 2 HA ALA 2 15.487 -32.569 20.804 14 HB1 ALA 2 HB1 ALA 2 18.047 -31.620 22.095 15 HB2 ALA 2 HB2 ALA 2 16.521 -30.736 22.058 16 HB3 ALA 2 HB3 ALA 2 17.392 -31.058 20.558 17 H MET 3 H MET 3 15.705 -34.208 19.412 18 HA MET 3 HA MET 3 18.272 -35.659 19.391 19 HB2 MET 3 HB2 MET 3 17.094 -37.592 18.524 20 HB3 MET 3 HB3 MET 3 16.333 -37.055 20.014 21 HG2 MET 3 HG2 MET 3 14.598 -35.916 18.672 22 HG3 MET 3 HG3 MET 3 15.338 -36.571 17.213 23 HE1 MET 3 HE1 MET 3 14.773 -38.201 20.765 24 HE2 MET 3 HE2 MET 3 13.258 -39.060 20.488 25 HE3 MET 3 HE3 MET 3 13.294 -37.297 20.442 26 H LYS 4 H LYS 4 16.022 -33.810 17.516 27 HA LYS 4 HA LYS 4 17.842 -34.001 15.228 28 HB2 LYS 4 HB2 LYS 4 14.846 -34.337 15.101 29 HB3 LYS 4 HB3 LYS 4 15.853 -34.025 13.696 30 HG2 LYS 4 HG2 LYS 4 17.042 -36.116 14.067 31 HG3 LYS 4 HG3 LYS 4 16.064 -36.425 15.503 32 HD2 LYS 4 HD2 LYS 4 15.207 -37.677 13.598 33 HD3 LYS 4 HD3 LYS 4 14.043 -36.456 14.116 34 HE2 LYS 4 HE2 LYS 4 14.962 -34.958 12.321 35 HE3 LYS 4 HE3 LYS 4 15.899 -36.336 11.745 36 HZ1 LYS 4 HZ1 LYS 4 13.823 -36.066 10.523 37 HZ2 LYS 4 HZ2 LYS 4 12.937 -36.248 11.958 38 HZ3 LYS 4 HZ3 LYS 4 13.853 -37.544 11.359 39 H ASP 5 H ASP 5 18.482 -32.049 14.694 40 HA ASP 5 HA ASP 5 16.575 -29.859 14.505 41 HB2 ASP 5 HB2 ASP 5 17.478 -29.722 16.826 42 HB3 ASP 5 HB3 ASP 5 19.101 -29.598 16.159 43 H VAL 6 H VAL 6 16.930 -28.898 12.609 44 HA VAL 6 HA VAL 6 19.669 -28.531 11.658 45 HB VAL 6 HB VAL 6 19.033 -29.256 9.347 46 HG11 VAL 6 HG11 VAL 6 20.420 -30.688 10.703 47 HG12 VAL 6 HG12 VAL 6 19.295 -31.668 9.760 48 HG13 VAL 6 HG13 VAL 6 18.996 -31.385 11.476 49 HG21 VAL 6 HG21 VAL 6 16.660 -30.469 10.751 50 HG22 VAL 6 HG22 VAL 6 17.144 -30.809 9.089 51 HG23 VAL 6 HG23 VAL 6 16.625 -29.186 9.542 52 H VAL 7 H VAL 7 19.923 -26.782 10.269 53 HA VAL 7 HA VAL 7 17.484 -25.330 9.517 54 HB VAL 7 HB VAL 7 18.419 -24.095 11.362 55 HG11 VAL 7 HG11 VAL 7 20.702 -24.896 11.321 56 HG12 VAL 7 HG12 VAL 7 20.663 -23.132 11.320 57 HG13 VAL 7 HG13 VAL 7 21.008 -24.007 9.828 58 HG21 VAL 7 HG21 VAL 7 18.807 -21.921 10.297 59 HG22 VAL 7 HG22 VAL 7 17.456 -22.787 9.567 60 HG23 VAL 7 HG23 VAL 7 19.014 -22.729 8.743 61 H ASP 8 H ASP 8 17.503 -26.153 7.479 62 HA ASP 8 HA ASP 8 19.894 -25.624 5.863 63 HB2 ASP 8 HB2 ASP 8 19.251 -27.554 4.456 64 HB3 ASP 8 HB3 ASP 8 19.559 -28.021 6.124 65 H LYS 9 H LYS 9 17.202 -24.235 6.437 66 HA LYS 9 HA LYS 9 16.471 -23.795 3.625 67 HB2 LYS 9 HB2 LYS 9 14.748 -24.593 5.313 68 HB3 LYS 9 HB3 LYS 9 14.915 -23.030 6.083 69 HG2 LYS 9 HG2 LYS 9 14.066 -23.420 3.217 70 HG3 LYS 9 HG3 LYS 9 12.943 -23.266 4.564 71 HD2 LYS 9 HD2 LYS 9 13.841 -21.031 5.042 72 HD3 LYS 9 HD3 LYS 9 14.946 -21.194 3.673 73 HE2 LYS 9 HE2 LYS 9 13.017 -19.886 3.020 74 HE3 LYS 9 HE3 LYS 9 13.003 -21.431 2.171 75 HZ1 LYS 9 HZ1 LYS 9 10.813 -20.793 3.042 76 HZ2 LYS 9 HZ2 LYS 9 11.433 -20.835 4.622 77 HZ3 LYS 9 HZ3 LYS 9 11.362 -22.256 3.700 78 H CYS 10 H CYS 10 17.665 -22.147 2.869 79 HA CYS 10 HA CYS 10 17.406 -19.582 4.225 80 HG CYS 10 HG CYS 10 21.479 -20.665 2.569 81 HB2 CYS 10 HB2 CYS 10 19.866 -19.118 3.803 82 HB3 CYS 10 HB3 CYS 10 19.503 -20.236 5.111 83 H SER 11 H SER 11 16.136 -18.787 2.645 84 HA SER 11 HA SER 11 17.212 -18.805 -0.097 85 HG SER 11 HG SER 11 14.709 -19.268 -1.772 86 HB2 SER 11 HB2 SER 11 15.091 -20.042 0.130 87 HB3 SER 11 HB3 SER 11 14.324 -18.610 0.812 88 H THR 12 H THR 12 18.272 -16.921 -0.277 89 HA THR 12 HA THR 12 17.056 -14.458 0.710 90 HB THR 12 HB THR 12 19.720 -14.746 -0.689 91 HG1 THR 12 HG1 THR 12 19.757 -16.074 1.154 92 HG21 THR 12 HG21 THR 12 18.863 -12.467 -0.524 93 HG22 THR 12 HG22 THR 12 20.250 -12.680 0.544 94 HG23 THR 12 HG23 THR 12 18.616 -12.669 1.211 95 H LYS 13 H LYS 13 15.770 -13.350 -0.597 96 HA LYS 13 HA LYS 13 16.485 -12.825 -3.336 97 HB2 LYS 13 HB2 LYS 13 14.508 -13.747 -4.370 98 HB3 LYS 13 HB3 LYS 13 15.314 -15.033 -3.482 99 HG2 LYS 13 HG2 LYS 13 13.711 -14.819 -1.669 100 HG3 LYS 13 HG3 LYS 13 12.923 -13.479 -2.505 101 HD2 LYS 13 HD2 LYS 13 11.609 -15.402 -2.931 102 HD3 LYS 13 HD3 LYS 13 12.505 -15.075 -4.416 103 HE2 LYS 13 HE2 LYS 13 14.158 -16.785 -3.767 104 HE3 LYS 13 HE3 LYS 13 13.213 -17.130 -2.320 105 HZ1 LYS 13 HZ1 LYS 13 11.323 -17.621 -3.904 106 HZ2 LYS 13 HZ2 LYS 13 12.592 -18.742 -3.876 107 HZ3 LYS 13 HZ3 LYS 13 12.482 -17.619 -5.145 108 H GLY 14 H GLY 14 14.805 -11.345 -4.353 109 HA2 GLY 14 HA2 GLY 14 12.921 -9.925 -4.139 110 HA3 GLY 14 HA3 GLY 14 13.031 -10.079 -2.392 111 H CYS 15 H CYS 15 14.113 -8.366 -5.197 112 HA CYS 15 HA CYS 15 15.405 -6.391 -3.436 113 HG CYS 15 HG CYS 15 17.388 -8.179 -3.996 114 HB2 CYS 15 HB2 CYS 15 15.661 -6.688 -6.440 115 HB3 CYS 15 HB3 CYS 15 16.547 -5.551 -5.426 116 H ALA 16 H ALA 16 13.975 -4.846 -2.879 117 HA ALA 16 HA ALA 16 12.093 -3.906 -4.941 118 HB1 ALA 16 HB1 ALA 16 11.421 -4.424 -2.047 119 HB2 ALA 16 HB2 ALA 16 10.902 -5.401 -3.421 120 HB3 ALA 16 HB3 ALA 16 10.333 -3.741 -3.255 121 H ILE 17 H ILE 17 10.939 -1.839 -3.988 122 HA ILE 17 HA ILE 17 13.043 0.039 -3.411 123 HB ILE 17 HB ILE 17 11.439 0.803 -4.970 124 HG12 ILE 17 HG12 ILE 17 10.838 2.163 -2.337 125 HG13 ILE 17 HG13 ILE 17 12.247 2.483 -3.342 126 HG21 ILE 17 HG21 ILE 17 9.041 0.988 -4.503 127 HG22 ILE 17 HG22 ILE 17 9.292 0.213 -2.939 128 HG23 ILE 17 HG23 ILE 17 9.601 -0.683 -4.426 129 HD11 ILE 17 HD11 ILE 17 10.756 3.256 -5.138 130 HD12 ILE 17 HD12 ILE 17 10.585 4.200 -3.658 131 HD13 ILE 17 HD13 ILE 17 9.371 2.989 -4.077 132 H ASP 18 H ASP 18 13.753 0.280 -1.450 133 HA ASP 18 HA ASP 18 11.922 -0.128 0.810 134 HB2 ASP 18 HB2 ASP 18 13.881 -1.537 0.899 135 HB3 ASP 18 HB3 ASP 18 14.941 -0.147 0.677 136 H ILE 19 H ILE 19 10.974 1.695 1.348 137 HA ILE 19 HA ILE 19 11.968 4.281 0.923 138 HB ILE 19 HB ILE 19 9.939 3.433 3.003 139 HG12 ILE 19 HG12 ILE 19 9.319 2.567 0.804 140 HG13 ILE 19 HG13 ILE 19 8.246 3.887 1.255 141 HG21 ILE 19 HG21 ILE 19 10.357 6.078 1.613 142 HG22 ILE 19 HG22 ILE 19 10.740 5.717 3.297 143 HG23 ILE 19 HG23 ILE 19 9.063 5.702 2.750 144 HD11 ILE 19 HD11 ILE 19 10.582 4.079 -0.628 145 HD12 ILE 19 HD12 ILE 19 9.502 5.398 -0.181 146 HD13 ILE 19 HD13 ILE 19 8.880 4.014 -1.081 147 H GLY 20 H GLY 20 12.205 2.092 3.656 148 HA2 GLY 20 HA2 GLY 20 13.858 1.976 5.248 149 HA3 GLY 20 HA3 GLY 20 14.600 3.392 4.532 150 H THR 21 H THR 21 13.279 5.471 4.941 151 HA THR 21 HA THR 21 13.351 5.720 7.793 152 HB THR 21 HB THR 21 12.698 7.897 5.816 153 HG1 THR 21 HG1 THR 21 15.156 6.626 6.461 154 HG21 THR 21 HG21 THR 21 13.832 9.325 7.482 155 HG22 THR 21 HG22 THR 21 14.039 7.916 8.525 156 HG23 THR 21 HG23 THR 21 12.419 8.510 8.154 157 H VAL 22 H VAL 22 10.917 5.088 5.610 158 HA VAL 22 HA VAL 22 8.884 5.883 7.576 159 HB VAL 22 HB VAL 22 8.504 6.135 4.585 160 HG11 VAL 22 HG11 VAL 22 6.451 5.586 5.781 161 HG12 VAL 22 HG12 VAL 22 6.400 7.240 5.173 162 HG13 VAL 22 HG13 VAL 22 6.717 6.940 6.880 163 HG21 VAL 22 HG21 VAL 22 8.474 8.555 4.943 164 HG22 VAL 22 HG22 VAL 22 10.028 7.857 5.402 165 HG23 VAL 22 HG23 VAL 22 8.863 8.311 6.646 166 H ILE 23 H ILE 23 8.953 3.712 8.289 167 HA ILE 23 HA ILE 23 7.431 1.895 6.548 168 HB ILE 23 HB ILE 23 9.966 1.342 8.006 169 HG12 ILE 23 HG12 ILE 23 10.152 -0.385 6.167 170 HG13 ILE 23 HG13 ILE 23 8.632 0.231 5.536 171 HG21 ILE 23 HG21 ILE 23 9.469 -1.020 8.344 172 HG22 ILE 23 HG22 ILE 23 7.804 -0.751 7.828 173 HG23 ILE 23 HG23 ILE 23 8.399 -0.001 9.308 174 HD11 ILE 23 HD11 ILE 23 10.517 1.149 4.335 175 HD12 ILE 23 HD12 ILE 23 11.183 1.790 5.837 176 HD13 ILE 23 HD13 ILE 23 9.660 2.418 5.208 177 H ASP 24 H ASP 24 5.578 1.254 7.423 178 HA ASP 24 HA ASP 24 5.252 1.522 10.341 179 HB2 ASP 24 HB2 ASP 24 3.794 2.859 8.579 180 HB3 ASP 24 HB3 ASP 24 2.908 1.342 8.480 181 H ASN 25 H ASN 25 2.876 -0.011 10.532 182 HA ASN 25 HA ASN 25 3.175 -2.569 9.313 183 HB2 ASN 25 HB2 ASN 25 3.683 -3.823 11.443 184 HB3 ASN 25 HB3 ASN 25 5.026 -2.922 10.755 185 HD21 ASN 25 HD21 ASN 25 2.643 -2.986 13.328 186 HD22 ASN 25 HD22 ASN 25 3.499 -1.919 14.396 187 H ASP 26 H ASP 26 1.091 -0.784 9.582 188 HA ASP 26 HA ASP 26 -0.629 -1.689 11.717 189 HB2 ASP 26 HB2 ASP 26 -0.717 0.655 11.070 190 HB3 ASP 26 HB3 ASP 26 -1.176 0.207 9.430 191 H ASN 27 H ASN 27 -1.082 -3.793 11.396 192 HA ASN 27 HA ASN 27 -2.447 -5.509 10.808 193 HB2 ASN 27 HB2 ASN 27 -4.064 -3.514 10.349 194 HB3 ASN 27 HB3 ASN 27 -3.733 -3.841 8.653 195 HD21 ASN 27 HD21 ASN 27 -6.205 -4.034 10.198 196 HD22 ASN 27 HD22 ASN 27 -6.761 -5.661 9.999 197 H CYS 28 H CYS 28 -2.777 -7.089 9.097 198 HA CYS 28 HA CYS 28 -0.681 -6.998 7.057 199 HG CYS 28 HG CYS 28 -3.991 -8.775 8.239 200 HB2 CYS 28 HB2 CYS 28 -1.316 -9.427 6.760 201 HB3 CYS 28 HB3 CYS 28 -0.671 -9.011 8.343 202 H THR 29 H THR 29 -3.883 -6.267 7.403 203 HA THR 29 HA THR 29 -4.474 -6.747 4.563 204 HB THR 29 HB THR 29 -6.360 -6.211 6.870 205 HG1 THR 29 HG1 THR 29 -6.602 -8.317 6.911 206 HG21 THR 29 HG21 THR 29 -8.177 -6.542 5.282 207 HG22 THR 29 HG22 THR 29 -7.016 -6.738 3.968 208 HG23 THR 29 HG23 THR 29 -7.171 -5.180 4.783 209 H SER 30 H SER 30 -4.597 -5.049 3.237 210 HA SER 30 HA SER 30 -4.255 -2.386 4.405 211 HG SER 30 HG SER 30 -2.562 -1.108 2.611 212 HB2 SER 30 HB2 SER 30 -2.639 -3.229 2.677 213 HB3 SER 30 HB3 SER 30 -3.961 -3.241 1.514 214 H LYS 31 H LYS 31 -5.980 -1.168 4.630 215 HA LYS 31 HA LYS 31 -8.308 -1.599 2.892 216 HB2 LYS 31 HB2 LYS 31 -7.972 -0.263 5.576 217 HB3 LYS 31 HB3 LYS 31 -9.429 -0.070 4.613 218 HG2 LYS 31 HG2 LYS 31 -8.358 -2.743 5.480 219 HG3 LYS 31 HG3 LYS 31 -9.547 -1.817 6.397 220 HD2 LYS 31 HD2 LYS 31 -9.883 -2.762 3.549 221 HD3 LYS 31 HD3 LYS 31 -10.606 -3.521 4.969 222 HE2 LYS 31 HE2 LYS 31 -11.828 -1.455 5.447 223 HE3 LYS 31 HE3 LYS 31 -11.104 -0.700 4.030 224 HZ1 LYS 31 HZ1 LYS 31 -12.832 -3.116 3.941 225 HZ2 LYS 31 HZ2 LYS 31 -12.247 -2.235 2.616 226 HZ3 LYS 31 HZ3 LYS 31 -13.375 -1.535 3.657 227 H PHE 32 H PHE 32 -8.426 -0.334 1.205 228 HA PHE 32 HA PHE 32 -7.327 2.397 1.370 229 HD1 PHE 32 HD2 PHE 32 -5.162 3.276 -0.146 230 HD2 PHE 32 HD1 PHE 32 -8.275 2.000 -2.747 231 HE1 PHE 32 HE2 PHE 32 -4.736 5.215 -1.598 232 HE2 PHE 32 HE1 PHE 32 -7.857 3.936 -4.204 233 HZ PHE 32 HZ PHE 32 -6.088 5.547 -3.628 234 HB2 PHE 32 HB2 PHE 32 -6.049 0.934 -0.147 235 HB3 PHE 32 HB3 PHE 32 -7.521 0.578 -1.044 236 H SER 33 H SER 33 -8.822 3.944 1.251 237 HA SER 33 HA SER 33 -11.269 3.398 -0.279 238 HG SER 33 HG SER 33 -10.745 4.231 3.440 239 HB2 SER 33 HB2 SER 33 -12.452 4.844 1.447 240 HB3 SER 33 HB3 SER 33 -11.924 3.260 2.014 241 H ARG 34 H ARG 34 -11.576 4.750 -1.877 242 HA ARG 34 HA ARG 34 -10.808 7.555 -1.570 243 HE ARG 34 HE ARG 34 -9.450 8.894 -0.834 244 HB2 ARG 34 HB2 ARG 34 -9.726 5.643 -3.568 245 HB3 ARG 34 HB3 ARG 34 -10.097 7.266 -4.121 246 HG2 ARG 34 HG2 ARG 34 -8.390 6.775 -1.708 247 HG3 ARG 34 HG3 ARG 34 -7.717 6.782 -3.336 248 HD2 ARG 34 HD2 ARG 34 -7.433 8.961 -2.355 249 HD3 ARG 34 HD3 ARG 34 -8.611 9.063 -3.660 250 HH11 ARG 34 HH11 ARG 34 -9.537 10.452 -3.979 251 HH12 ARG 34 HH12 ARG 34 -10.757 11.602 -3.511 252 HH21 ARG 34 HH21 ARG 34 -11.068 10.382 -0.236 253 HH22 ARG 34 HH22 ARG 34 -11.638 11.552 -1.392 254 H PHE 35 H PHE 35 -12.072 8.980 -2.759 255 HA PHE 35 HA PHE 35 -14.520 7.778 -3.833 256 HD1 PHE 35 HD2 PHE 35 -16.630 8.107 -1.924 257 HD2 PHE 35 HD1 PHE 35 -13.197 10.294 -0.688 258 HE1 PHE 35 HE2 PHE 35 -17.008 7.379 0.398 259 HE2 PHE 35 HE1 PHE 35 -13.564 9.572 1.634 260 HZ PHE 35 HZ PHE 35 -15.470 8.112 2.179 261 HB2 PHE 35 HB2 PHE 35 -14.088 10.607 -2.852 262 HB3 PHE 35 HB3 PHE 35 -15.623 9.888 -3.326 263 H PHE 36 H PHE 36 -15.062 8.054 -5.884 264 HA PHE 36 HA PHE 36 -13.514 9.959 -7.515 265 HD1 PHE 36 HD2 PHE 36 -11.224 9.156 -8.690 266 HD2 PHE 36 HD1 PHE 36 -13.041 5.763 -6.878 267 HE1 PHE 36 HE2 PHE 36 -9.021 8.409 -7.893 268 HE2 PHE 36 HE1 PHE 36 -10.843 5.010 -6.074 269 HZ PHE 36 HZ PHE 36 -8.829 6.333 -6.582 270 HB2 PHE 36 HB2 PHE 36 -14.297 7.131 -8.273 271 HB3 PHE 36 HB3 PHE 36 -13.517 8.290 -9.344 272 H ALA 37 H ALA 37 -14.733 9.808 -9.883 273 HA ALA 37 HA ALA 37 -17.297 10.985 -9.370 274 HB1 ALA 37 HB1 ALA 37 -17.392 11.348 -11.785 275 HB2 ALA 37 HB2 ALA 37 -15.972 10.324 -11.999 276 HB3 ALA 37 HB3 ALA 37 -15.835 11.849 -11.124 277 H THR 38 H THR 38 -16.478 8.344 -11.634 278 HA THR 38 HA THR 38 -19.191 7.290 -11.179 279 HB THR 38 HB THR 38 -19.000 6.278 -13.434 280 HG1 THR 38 HG1 THR 38 -17.161 7.328 -14.703 281 HG21 THR 38 HG21 THR 38 -19.177 8.366 -14.726 282 HG22 THR 38 HG22 THR 38 -18.501 9.258 -13.363 283 HG23 THR 38 HG23 THR 38 -20.067 8.463 -13.208 284 H ARG 39 H ARG 39 -19.421 4.917 -11.506 285 HA ARG 39 HA ARG 39 -17.718 3.370 -9.937 286 HE ARG 39 HE ARG 39 -21.971 2.258 -11.524 287 HB2 ARG 39 HB2 ARG 39 -18.888 1.444 -10.823 288 HB3 ARG 39 HB3 ARG 39 -20.039 2.753 -10.597 289 HG2 ARG 39 HG2 ARG 39 -20.031 3.240 -12.955 290 HG3 ARG 39 HG3 ARG 39 -18.758 2.051 -13.230 291 HD2 ARG 39 HD2 ARG 39 -20.795 1.041 -13.877 292 HD3 ARG 39 HD3 ARG 39 -20.325 0.314 -12.343 293 HH11 ARG 39 HH11 ARG 39 -22.272 -0.134 -14.055 294 HH12 ARG 39 HH12 ARG 39 -24.003 -0.237 -13.943 295 HH21 ARG 39 HH21 ARG 39 -24.266 2.128 -11.356 296 HH22 ARG 39 HH22 ARG 39 -25.133 1.064 -12.417 297 H GLU 40 H GLU 40 -17.516 4.263 -13.278 298 HA GLU 40 HA GLU 40 -15.670 2.303 -14.158 299 HB2 GLU 40 HB2 GLU 40 -16.160 5.094 -15.200 300 HB3 GLU 40 HB3 GLU 40 -15.338 3.798 -16.051 301 HG2 GLU 40 HG2 GLU 40 -17.379 2.492 -16.077 302 HG3 GLU 40 HG3 GLU 40 -18.212 3.750 -15.171 303 H GLU 41 H GLU 41 -15.352 5.597 -12.957 304 HA GLU 41 HA GLU 41 -12.599 5.932 -13.098 305 HB2 GLU 41 HB2 GLU 41 -14.483 6.870 -10.926 306 HB3 GLU 41 HB3 GLU 41 -12.870 7.504 -11.208 307 HG2 GLU 41 HG2 GLU 41 -15.079 7.616 -13.243 308 HG3 GLU 41 HG3 GLU 41 -14.746 8.901 -12.083 309 H ALA 42 H ALA 42 -14.547 4.108 -10.866 310 HA ALA 42 HA ALA 42 -12.477 3.674 -8.924 311 HB1 ALA 42 HB1 ALA 42 -15.100 2.241 -9.323 312 HB2 ALA 42 HB2 ALA 42 -14.835 3.646 -8.292 313 HB3 ALA 42 HB3 ALA 42 -14.057 2.110 -7.907 314 H GLU 43 H GLU 43 -14.037 1.670 -11.407 315 HA GLU 43 HA GLU 43 -12.474 -0.622 -11.168 316 HB2 GLU 43 HB2 GLU 43 -13.873 0.641 -13.518 317 HB3 GLU 43 HB3 GLU 43 -13.005 -0.879 -13.671 318 HG2 GLU 43 HG2 GLU 43 -15.167 -0.478 -11.632 319 HG3 GLU 43 HG3 GLU 43 -15.509 -0.994 -13.284 320 H SER 44 H SER 44 -11.932 2.325 -13.027 321 HA SER 44 HA SER 44 -9.629 1.457 -14.406 322 HG SER 44 HG SER 44 -11.992 2.995 -14.937 323 HB2 SER 44 HB2 SER 44 -10.465 4.273 -13.680 324 HB3 SER 44 HB3 SER 44 -9.277 3.837 -14.908 325 H PHE 45 H PHE 45 -10.070 2.808 -11.188 326 HA PHE 45 HA PHE 45 -7.277 3.474 -10.933 327 HD1 PHE 45 HD1 PHE 45 -7.125 6.023 -9.829 328 HD2 PHE 45 HD2 PHE 45 -7.712 2.978 -6.915 329 HE1 PHE 45 HE1 PHE 45 -5.329 6.998 -8.459 330 HE2 PHE 45 HE2 PHE 45 -5.918 3.947 -5.539 331 HZ PHE 45 HZ PHE 45 -4.725 5.958 -6.307 332 HB2 PHE 45 HB2 PHE 45 -9.201 4.656 -9.737 333 HB3 PHE 45 HB3 PHE 45 -9.267 3.252 -8.677 334 H MET 46 H MET 46 -9.416 0.850 -10.075 335 HA MET 46 HA MET 46 -7.635 -0.523 -8.356 336 HB2 MET 46 HB2 MET 46 -10.055 -0.936 -8.375 337 HB3 MET 46 HB3 MET 46 -9.938 -1.577 -10.007 338 HG2 MET 46 HG2 MET 46 -10.124 -3.343 -8.334 339 HG3 MET 46 HG3 MET 46 -8.604 -3.432 -9.222 340 HE1 MET 46 HE1 MET 46 -8.920 -1.760 -4.930 341 HE2 MET 46 HE2 MET 46 -10.312 -2.230 -5.905 342 HE3 MET 46 HE3 MET 46 -9.358 -0.815 -6.353 343 H THR 47 H THR 47 -7.879 -0.272 -11.791 344 HA THR 47 HA THR 47 -6.740 -2.663 -12.623 345 HB THR 47 HB THR 47 -6.407 0.052 -13.909 346 HG1 THR 47 HG1 THR 47 -8.302 -1.562 -14.995 347 HG21 THR 47 HG21 THR 47 -4.914 -1.632 -14.859 348 HG22 THR 47 HG22 THR 47 -6.203 -1.237 -15.995 349 HG23 THR 47 HG23 THR 47 -6.274 -2.735 -15.067 350 H LYS 48 H LYS 48 -5.102 0.398 -11.775 351 HA LYS 48 HA LYS 48 -2.515 -0.658 -12.311 352 HB2 LYS 48 HB2 LYS 48 -1.674 1.348 -11.073 353 HB3 LYS 48 HB3 LYS 48 -2.706 1.683 -12.453 354 HG2 LYS 48 HG2 LYS 48 -4.587 2.076 -10.945 355 HG3 LYS 48 HG3 LYS 48 -3.535 1.751 -9.565 356 HD2 LYS 48 HD2 LYS 48 -2.953 3.886 -11.603 357 HD3 LYS 48 HD3 LYS 48 -3.885 4.179 -10.141 358 HE2 LYS 48 HE2 LYS 48 -2.051 3.709 -8.744 359 HE3 LYS 48 HE3 LYS 48 -1.147 2.956 -10.055 360 HZ1 LYS 48 HZ1 LYS 48 -0.761 5.042 -11.055 361 HZ2 LYS 48 HZ2 LYS 48 -0.410 5.242 -9.411 362 HZ3 LYS 48 HZ3 LYS 48 -1.863 5.839 -10.040 363 H LEU 49 H LEU 49 -4.594 -0.671 -9.540 364 HA LEU 49 HA LEU 49 -2.660 -1.373 -7.592 365 HG LEU 49 HG LEU 49 -5.644 -0.371 -5.666 366 HB2 LEU 49 HB2 LEU 49 -5.634 -1.612 -7.777 367 HB3 LEU 49 HB3 LEU 49 -4.792 -2.482 -6.512 368 HD11 LEU 49 HD11 LEU 49 -3.555 -1.220 -4.741 369 HD12 LEU 49 HD12 LEU 49 -3.597 0.544 -4.739 370 HD13 LEU 49 HD13 LEU 49 -2.650 -0.314 -5.954 371 HD21 LEU 49 HD21 LEU 49 -3.944 0.914 -7.797 372 HD22 LEU 49 HD22 LEU 49 -4.752 1.768 -6.481 373 HD23 LEU 49 HD23 LEU 49 -5.704 0.927 -7.703 374 H LYS 50 H LYS 50 -4.420 -3.199 -9.993 375 HA LYS 50 HA LYS 50 -3.943 -5.796 -9.075 376 HB2 LYS 50 HB2 LYS 50 -4.541 -4.554 -11.691 377 HB3 LYS 50 HB3 LYS 50 -3.765 -6.128 -11.759 378 HG2 LYS 50 HG2 LYS 50 -6.178 -6.335 -11.883 379 HG3 LYS 50 HG3 LYS 50 -5.559 -7.081 -10.409 380 HD2 LYS 50 HD2 LYS 50 -6.259 -5.199 -9.097 381 HD3 LYS 50 HD3 LYS 50 -6.708 -4.301 -10.548 382 HE2 LYS 50 HE2 LYS 50 -7.984 -6.872 -9.624 383 HE3 LYS 50 HE3 LYS 50 -8.656 -5.260 -9.386 384 HZ1 LYS 50 HZ1 LYS 50 -8.686 -4.999 -11.820 385 HZ2 LYS 50 HZ2 LYS 50 -9.670 -6.275 -11.289 386 HZ3 LYS 50 HZ3 LYS 50 -8.161 -6.606 -11.988 387 H GLU 51 H GLU 51 -1.996 -3.760 -11.236 388 HA GLU 51 HA GLU 51 0.097 -5.576 -11.663 389 HB2 GLU 51 HB2 GLU 51 0.265 -2.560 -11.584 390 HB3 GLU 51 HB3 GLU 51 1.404 -3.646 -12.367 391 HG2 GLU 51 HG2 GLU 51 -0.335 -4.357 -13.919 392 HG3 GLU 51 HG3 GLU 51 -1.479 -3.265 -13.138 393 H LEU 52 H LEU 52 -0.344 -3.047 -9.256 394 HA LEU 52 HA LEU 52 2.182 -3.297 -8.030 395 HG LEU 52 HG LEU 52 0.380 -0.947 -8.863 396 HB2 LEU 52 HB2 LEU 52 -0.424 -2.252 -6.922 397 HB3 LEU 52 HB3 LEU 52 1.140 -2.049 -6.156 398 HD11 LEU 52 HD11 LEU 52 0.696 0.440 -6.208 399 HD12 LEU 52 HD12 LEU 52 -0.821 0.165 -7.067 400 HD13 LEU 52 HD13 LEU 52 0.406 1.225 -7.760 401 HD21 LEU 52 HD21 LEU 52 2.756 -1.451 -8.685 402 HD22 LEU 52 HD22 LEU 52 2.847 -0.535 -7.183 403 HD23 LEU 52 HD23 LEU 52 2.480 0.290 -8.698 404 H ALA 53 H ALA 53 -0.989 -4.691 -7.194 405 HA ALA 53 HA ALA 53 -0.110 -5.960 -4.824 406 HB1 ALA 53 HB1 ALA 53 -2.470 -5.482 -5.314 407 HB2 ALA 53 HB2 ALA 53 -2.209 -7.176 -4.900 408 HB3 ALA 53 HB3 ALA 53 -2.442 -6.706 -6.583 409 H ALA 54 H ALA 54 -0.169 -6.975 -8.183 410 HA ALA 54 HA ALA 54 0.365 -9.720 -7.706 411 HB1 ALA 54 HB1 ALA 54 -0.571 -8.917 -9.812 412 HB2 ALA 54 HB2 ALA 54 0.915 -9.828 -10.081 413 HB3 ALA 54 HB3 ALA 54 0.933 -8.066 -10.162 414 H ALA 55 H ALA 55 2.396 -6.887 -8.064 415 HA ALA 55 HA ALA 55 4.834 -8.447 -8.175 416 HB1 ALA 55 HB1 ALA 55 4.643 -6.357 -9.437 417 HB2 ALA 55 HB2 ALA 55 5.970 -6.298 -8.277 418 HB3 ALA 55 HB3 ALA 55 4.454 -5.465 -7.927 419 H ALA 56 H ALA 56 2.940 -6.742 -5.797 420 HA ALA 56 HA ALA 56 5.073 -6.628 -3.859 421 HB1 ALA 56 HB1 ALA 56 2.140 -6.015 -3.536 422 HB2 ALA 56 HB2 ALA 56 3.398 -4.856 -3.964 423 HB3 ALA 56 HB3 ALA 56 3.414 -5.632 -2.378 424 H SER 57 H SER 57 3.160 -9.128 -4.873 425 HA SER 57 HA SER 57 3.212 -10.357 -2.209 426 HG SER 57 HG SER 57 1.051 -9.992 -5.137 427 HB2 SER 57 HB2 SER 57 1.494 -11.960 -3.164 428 HB3 SER 57 HB3 SER 57 0.957 -10.290 -2.983 429 H SER 58 H SER 58 5.065 -11.392 -2.009 430 HA SER 58 HA SER 58 6.094 -12.941 -4.290 431 HG SER 58 HG SER 58 6.846 -10.507 -3.600 432 HB2 SER 58 HB2 SER 58 7.507 -12.067 -1.758 433 HB3 SER 58 HB3 SER 58 8.248 -12.887 -3.134 434 H ALA 59 H ALA 59 4.401 -13.285 -1.430 435 HA ALA 59 HA ALA 59 5.294 -15.733 -0.418 436 HB1 ALA 59 HB1 ALA 59 3.614 -14.323 0.690 437 HB2 ALA 59 HB2 ALA 59 3.055 -15.985 0.506 438 HB3 ALA 59 HB3 ALA 59 2.451 -14.727 -0.572 439 H ASP 60 H ASP 60 2.874 -15.055 -2.918 440 HA ASP 60 HA ASP 60 3.704 -17.096 -4.634 441 HB2 ASP 60 HB2 ASP 60 2.757 -18.663 -3.042 442 HB3 ASP 60 HB3 ASP 60 1.245 -17.763 -2.998 443 H GLU 61 H GLU 61 0.335 -16.586 -4.021 444 HA GLU 61 HA GLU 61 0.039 -14.253 -5.670 445 HB2 GLU 61 HB2 GLU 61 -0.728 -16.980 -6.673 446 HB3 GLU 61 HB3 GLU 61 -1.702 -15.586 -7.116 447 HG2 GLU 61 HG2 GLU 61 0.217 -14.534 -8.144 448 HG3 GLU 61 HG3 GLU 61 1.248 -15.873 -7.639 449 H GLY 62 H GLY 62 -0.613 -15.871 -3.072 450 HA2 GLY 62 HA2 GLY 62 -3.501 -15.954 -3.068 451 HA3 GLY 62 HA3 GLY 62 -2.434 -16.365 -1.734 452 H ALA 63 H ALA 63 -3.161 -13.462 -3.646 453 HA ALA 63 HA ALA 63 -3.325 -11.930 -1.149 454 HB1 ALA 63 HB1 ALA 63 -3.267 -9.947 -2.592 455 HB2 ALA 63 HB2 ALA 63 -3.269 -10.983 -4.022 456 HB3 ALA 63 HB3 ALA 63 -1.896 -11.006 -2.915 457 H SER 64 H SER 64 -5.265 -11.505 -0.314 458 HA SER 64 HA SER 64 -7.610 -12.063 -1.970 459 HG SER 64 HG SER 64 -7.341 -13.894 -0.782 460 HB2 SER 64 HB2 SER 64 -7.302 -11.778 1.026 461 HB3 SER 64 HB3 SER 64 -8.833 -12.080 0.205 462 H VAL 65 H VAL 65 -8.042 -10.262 -3.122 463 HA VAL 65 HA VAL 65 -8.248 -7.741 -1.656 464 HB VAL 65 HB VAL 65 -6.951 -7.473 -3.641 465 HG11 VAL 65 HG11 VAL 65 -7.797 -8.003 -5.882 466 HG12 VAL 65 HG12 VAL 65 -9.241 -8.718 -5.160 467 HG13 VAL 65 HG13 VAL 65 -7.659 -9.440 -4.869 468 HG21 VAL 65 HG21 VAL 65 -9.736 -6.395 -4.085 469 HG22 VAL 65 HG22 VAL 65 -8.285 -5.832 -4.914 470 HG23 VAL 65 HG23 VAL 65 -8.441 -5.625 -3.169 471 H ALA 66 H ALA 66 -10.108 -7.298 -0.828 472 HA ALA 66 HA ALA 66 -12.550 -8.039 -2.300 473 HB1 ALA 66 HB1 ALA 66 -12.398 -9.114 -0.103 474 HB2 ALA 66 HB2 ALA 66 -13.733 -7.962 -0.164 475 HB3 ALA 66 HB3 ALA 66 -12.233 -7.532 0.660 476 H TYR 67 H TYR 67 -12.835 -6.247 -3.555 477 HA TYR 67 HA TYR 67 -12.936 -3.686 -2.121 478 HD1 TYR 67 HD1 TYR 67 -11.356 -5.786 -5.540 479 HD2 TYR 67 HD2 TYR 67 -13.469 -2.105 -5.838 480 HE1 TYR 67 HE1 TYR 67 -11.866 -6.269 -7.896 481 HE2 TYR 67 HE2 TYR 67 -13.985 -2.582 -8.187 482 HH TYR 67 HH TYR 67 -13.325 -3.889 -9.985 483 HB2 TYR 67 HB2 TYR 67 -12.063 -2.534 -3.967 484 HB3 TYR 67 HB3 TYR 67 -11.076 -3.985 -3.864 485 H LYS 68 H LYS 68 -14.674 -2.410 -2.378 486 HA LYS 68 HA LYS 68 -16.816 -3.416 -4.140 487 HB2 LYS 68 HB2 LYS 68 -18.449 -2.622 -2.608 488 HB3 LYS 68 HB3 LYS 68 -17.257 -3.459 -1.622 489 HG2 LYS 68 HG2 LYS 68 -16.255 -1.331 -1.000 490 HG3 LYS 68 HG3 LYS 68 -17.402 -0.475 -2.025 491 HD2 LYS 68 HD2 LYS 68 -18.393 -0.246 0.037 492 HD3 LYS 68 HD3 LYS 68 -19.187 -1.704 -0.559 493 HE2 LYS 68 HE2 LYS 68 -16.790 -1.650 1.271 494 HE3 LYS 68 HE3 LYS 68 -18.454 -1.891 1.794 495 HZ1 LYS 68 HZ1 LYS 68 -17.443 -4.003 1.634 496 HZ2 LYS 68 HZ2 LYS 68 -16.814 -3.681 0.097 497 HZ3 LYS 68 HZ3 LYS 68 -18.489 -3.878 0.303 498 H ILE 69 H ILE 69 -18.041 -1.860 -5.256 499 HA ILE 69 HA ILE 69 -16.868 0.841 -5.336 500 HB ILE 69 HB ILE 69 -18.524 -0.521 -7.474 501 HG12 ILE 69 HG12 ILE 69 -15.563 0.117 -7.434 502 HG13 ILE 69 HG13 ILE 69 -16.254 -1.490 -7.242 503 HG21 ILE 69 HG21 ILE 69 -17.948 1.403 -8.856 504 HG22 ILE 69 HG22 ILE 69 -17.072 2.124 -7.506 505 HG23 ILE 69 HG23 ILE 69 -18.820 1.904 -7.408 506 HD11 ILE 69 HD11 ILE 69 -15.421 -1.150 -9.495 507 HD12 ILE 69 HD12 ILE 69 -16.477 0.248 -9.689 508 HD13 ILE 69 HD13 ILE 69 -17.172 -1.362 -9.500 509 H LYS 70 H LYS 70 -18.024 2.012 -3.945 510 HA LYS 70 HA LYS 70 -20.839 1.524 -3.550 511 HB2 LYS 70 HB2 LYS 70 -19.315 2.167 -1.719 512 HB3 LYS 70 HB3 LYS 70 -19.116 3.739 -2.468 513 HG2 LYS 70 HG2 LYS 70 -20.686 3.858 -0.638 514 HG3 LYS 70 HG3 LYS 70 -21.504 4.171 -2.170 515 HD2 LYS 70 HD2 LYS 70 -22.454 1.985 -2.197 516 HD3 LYS 70 HD3 LYS 70 -21.452 1.469 -0.838 517 HE2 LYS 70 HE2 LYS 70 -23.508 3.666 -0.674 518 HE3 LYS 70 HE3 LYS 70 -23.837 1.985 -0.260 519 HZ1 LYS 70 HZ1 LYS 70 -22.147 2.093 1.448 520 HZ2 LYS 70 HZ2 LYS 70 -23.300 3.310 1.696 521 HZ3 LYS 70 HZ3 LYS 70 -21.782 3.700 1.045 522 H ASP 71 H ASP 71 -22.082 2.083 -5.099 523 HA ASP 71 HA ASP 71 -21.526 4.284 -6.871 524 HB2 ASP 71 HB2 ASP 71 -22.519 2.196 -7.723 525 HB3 ASP 71 HB3 ASP 71 -23.943 2.463 -6.723 526 H LEU 72 H LEU 72 -21.858 6.267 -6.128 527 HA LEU 72 HA LEU 72 -24.412 6.822 -4.776 528 HG LEU 72 HG LEU 72 -21.639 6.177 -3.408 529 HB2 LEU 72 HB2 LEU 72 -21.869 8.426 -4.496 530 HB3 LEU 72 HB3 LEU 72 -23.358 8.639 -3.595 531 HD11 LEU 72 HD11 LEU 72 -20.347 8.052 -2.617 532 HD12 LEU 72 HD12 LEU 72 -20.895 7.101 -1.237 533 HD13 LEU 72 HD13 LEU 72 -21.703 8.616 -1.641 534 HD21 LEU 72 HD21 LEU 72 -23.974 5.858 -2.790 535 HD22 LEU 72 HD22 LEU 72 -23.858 7.205 -1.656 536 HD23 LEU 72 HD23 LEU 72 -22.912 5.741 -1.387 537 H GLU 73 H GLU 73 -24.966 9.211 -5.036 538 HA GLU 73 HA GLU 73 -25.090 9.658 -7.894 539 HB2 GLU 73 HB2 GLU 73 -26.487 10.904 -5.542 540 HB3 GLU 73 HB3 GLU 73 -26.571 11.636 -7.136 541 HG2 GLU 73 HG2 GLU 73 -28.513 10.278 -6.748 542 HG3 GLU 73 HG3 GLU 73 -27.534 9.568 -8.027 543 H GLY 74 H GLY 74 -23.369 10.574 -8.764 544 HA2 GLY 74 HA2 GLY 74 -22.303 12.622 -9.356 545 HA3 GLY 74 HA3 GLY 74 -22.577 13.212 -7.723 546 H GLN 75 H GLN 75 -21.573 10.273 -7.066 547 HA GLN 75 HA GLN 75 -18.810 10.312 -7.701 548 HB2 GLN 75 HB2 GLN 75 -17.986 10.650 -5.355 549 HB3 GLN 75 HB3 GLN 75 -18.614 12.097 -6.126 550 HG2 GLN 75 HG2 GLN 75 -20.765 11.712 -4.912 551 HG3 GLN 75 HG3 GLN 75 -19.968 10.402 -4.040 552 HE21 GLN 75 HE21 GLN 75 -20.233 11.447 -2.055 553 HE22 GLN 75 HE22 GLN 75 -19.282 12.825 -1.614 554 H VAL 76 H VAL 76 -17.630 8.580 -6.483 555 HA VAL 76 HA VAL 76 -19.427 6.546 -5.357 556 HB VAL 76 HB VAL 76 -18.238 4.761 -6.576 557 HG11 VAL 76 HG11 VAL 76 -19.548 6.807 -8.357 558 HG12 VAL 76 HG12 VAL 76 -20.360 5.535 -7.441 559 HG13 VAL 76 HG13 VAL 76 -19.279 5.113 -8.770 560 HG21 VAL 76 HG21 VAL 76 -16.865 5.334 -8.541 561 HG22 VAL 76 HG22 VAL 76 -16.144 5.883 -7.028 562 HG23 VAL 76 HG23 VAL 76 -16.959 7.037 -8.084 563 H GLU 77 H GLU 77 -18.395 5.040 -3.985 564 HA GLU 77 HA GLU 77 -15.773 5.935 -3.006 565 HB2 GLU 77 HB2 GLU 77 -17.493 5.937 -1.291 566 HB3 GLU 77 HB3 GLU 77 -17.914 4.273 -1.664 567 HG2 GLU 77 HG2 GLU 77 -15.619 3.602 -0.957 568 HG3 GLU 77 HG3 GLU 77 -15.351 5.264 -0.437 569 H LEU 78 H LEU 78 -14.131 4.809 -3.806 570 HA LEU 78 HA LEU 78 -14.484 1.994 -4.477 571 HG LEU 78 HG LEU 78 -11.560 2.126 -6.708 572 HB2 LEU 78 HB2 LEU 78 -13.220 3.583 -5.974 573 HB3 LEU 78 HB3 LEU 78 -12.001 3.709 -4.723 574 HD11 LEU 78 HD11 LEU 78 -10.394 0.511 -5.285 575 HD12 LEU 78 HD12 LEU 78 -11.290 1.097 -3.884 576 HD13 LEU 78 HD13 LEU 78 -10.159 2.164 -4.718 577 HD21 LEU 78 HD21 LEU 78 -13.495 0.445 -5.119 578 HD22 LEU 78 HD22 LEU 78 -12.429 -0.163 -6.384 579 HD23 LEU 78 HD23 LEU 78 -13.690 1.004 -6.781 580 H ASP 79 H ASP 79 -14.328 0.610 -2.889 581 HA ASP 79 HA ASP 79 -12.622 1.277 -0.567 582 HB2 ASP 79 HB2 ASP 79 -15.057 1.323 -0.092 583 HB3 ASP 79 HB3 ASP 79 -15.173 -0.352 -0.616 584 H ALA 80 H ALA 80 -10.839 0.058 -0.638 585 HA ALA 80 HA ALA 80 -11.100 -2.699 -1.658 586 HB1 ALA 80 HB1 ALA 80 -9.771 -1.232 -3.101 587 HB2 ALA 80 HB2 ALA 80 -8.804 -2.538 -2.419 588 HB3 ALA 80 HB3 ALA 80 -8.677 -0.910 -1.757 589 H ALA 81 H ALA 81 -10.285 -4.353 -0.524 590 HA ALA 81 HA ALA 81 -8.671 -3.805 1.864 591 HB1 ALA 81 HB1 ALA 81 -9.831 -5.585 3.055 592 HB2 ALA 81 HB2 ALA 81 -10.870 -5.865 1.658 593 HB3 ALA 81 HB3 ALA 81 -10.976 -4.343 2.543 594 H PHE 82 H PHE 82 -6.713 -4.587 1.377 595 HA PHE 82 HA PHE 82 -6.522 -7.049 -0.230 596 HD1 PHE 82 HD2 PHE 82 -5.960 -3.201 -0.564 597 HD2 PHE 82 HD1 PHE 82 -4.650 -6.582 -2.787 598 HE1 PHE 82 HE2 PHE 82 -6.575 -2.058 -2.653 599 HE2 PHE 82 HE1 PHE 82 -5.256 -5.443 -4.883 600 HZ PHE 82 HZ PHE 82 -6.222 -3.177 -4.817 601 HB2 PHE 82 HB2 PHE 82 -4.463 -4.920 0.404 602 HB3 PHE 82 HB3 PHE 82 -4.115 -6.388 -0.495 603 H THR 83 H THR 83 -6.428 -8.812 1.003 604 HA THR 83 HA THR 83 -4.823 -8.735 3.459 605 HB THR 83 HB THR 83 -6.761 -10.859 2.491 606 HG1 THR 83 HG1 THR 83 -6.979 -8.827 4.490 607 HG21 THR 83 HG21 THR 83 -5.308 -10.553 5.127 608 HG22 THR 83 HG22 THR 83 -5.023 -11.808 3.923 609 HG23 THR 83 HG23 THR 83 -6.560 -11.752 4.786 610 H PHE 84 H PHE 84 -2.781 -9.357 3.257 611 HA PHE 84 HA PHE 84 -2.043 -11.162 1.062 612 HD1 PHE 84 HD2 PHE 84 -0.256 -9.995 -0.838 613 HD2 PHE 84 HD1 PHE 84 -1.380 -7.266 2.233 614 HE1 PHE 84 HE2 PHE 84 -0.602 -8.239 -2.527 615 HE2 PHE 84 HE1 PHE 84 -1.727 -5.509 0.545 616 HZ PHE 84 HZ PHE 84 -1.338 -5.993 -1.835 617 HB2 PHE 84 HB2 PHE 84 -0.361 -9.339 2.789 618 HB3 PHE 84 HB3 PHE 84 0.282 -10.407 1.545 619 H SER 85 H SER 85 -0.441 -12.825 1.476 620 HA SER 85 HA SER 85 -1.057 -14.450 3.699 621 HG SER 85 HG SER 85 -1.199 -15.655 1.408 622 HB2 SER 85 HB2 SER 85 1.412 -14.673 1.971 623 HB3 SER 85 HB3 SER 85 0.555 -15.967 2.812 624 H CYS 86 H CYS 86 1.551 -12.205 3.004 625 HA CYS 86 HA CYS 86 2.526 -12.536 5.765 626 HG CYS 86 HG CYS 86 5.536 -13.804 3.018 627 HB2 CYS 86 HB2 CYS 86 4.128 -11.532 3.401 628 HB3 CYS 86 HB3 CYS 86 4.731 -11.902 5.013 629 H GLN 87 H GLN 87 2.981 -10.629 6.921 630 HA GLN 87 HA GLN 87 1.481 -8.328 6.196 631 HB2 GLN 87 HB2 GLN 87 1.870 -8.876 8.530 632 HB3 GLN 87 HB3 GLN 87 3.606 -8.702 8.309 633 HG2 GLN 87 HG2 GLN 87 3.436 -6.369 8.019 634 HG3 GLN 87 HG3 GLN 87 1.686 -6.437 7.850 635 HE21 GLN 87 HE21 GLN 87 1.214 -5.086 9.526 636 HE22 GLN 87 HE22 GLN 87 1.528 -5.471 11.186 637 H ALA 88 H ALA 88 4.774 -9.341 5.781 638 HA ALA 88 HA ALA 88 6.035 -6.959 5.132 639 HB1 ALA 88 HB1 ALA 88 7.192 -9.106 5.372 640 HB2 ALA 88 HB2 ALA 88 7.606 -8.309 3.853 641 HB3 ALA 88 HB3 ALA 88 6.470 -9.659 3.860 642 H GLU 89 H GLU 89 4.036 -9.059 3.116 643 HA GLU 89 HA GLU 89 4.475 -7.746 0.660 644 HB2 GLU 89 HB2 GLU 89 1.829 -9.007 1.257 645 HB3 GLU 89 HB3 GLU 89 2.793 -9.087 -0.207 646 HG2 GLU 89 HG2 GLU 89 3.393 -10.521 2.368 647 HG3 GLU 89 HG3 GLU 89 2.645 -11.237 0.945 648 H MET 90 H MET 90 2.334 -7.120 3.343 649 HA MET 90 HA MET 90 0.573 -5.360 1.953 650 HB2 MET 90 HB2 MET 90 0.176 -6.639 4.168 651 HB3 MET 90 HB3 MET 90 1.041 -5.311 4.927 652 HG2 MET 90 HG2 MET 90 -1.435 -4.982 3.248 653 HG3 MET 90 HG3 MET 90 -1.431 -5.122 5.003 654 HE1 MET 90 HE1 MET 90 -0.423 -3.260 6.641 655 HE2 MET 90 HE2 MET 90 0.476 -1.857 6.060 656 HE3 MET 90 HE3 MET 90 1.129 -3.479 5.834 657 H ILE 91 H ILE 91 3.279 -4.840 4.210 658 HA ILE 91 HA ILE 91 3.078 -2.027 4.124 659 HB ILE 91 HB ILE 91 5.564 -2.209 4.956 660 HG12 ILE 91 HG12 ILE 91 4.538 -4.971 5.613 661 HG13 ILE 91 HG13 ILE 91 5.672 -4.656 4.308 662 HG21 ILE 91 HG21 ILE 91 4.703 -2.555 7.230 663 HG22 ILE 91 HG22 ILE 91 3.180 -3.135 6.553 664 HG23 ILE 91 HG23 ILE 91 3.683 -1.466 6.290 665 HD11 ILE 91 HD11 ILE 91 6.821 -5.426 6.290 666 HD12 ILE 91 HD12 ILE 91 6.122 -4.107 7.230 667 HD13 ILE 91 HD13 ILE 91 7.268 -3.756 5.935 668 H ILE 92 H ILE 92 5.071 -4.285 2.216 669 HA ILE 92 HA ILE 92 6.515 -2.227 0.898 670 HB ILE 92 HB ILE 92 7.048 -3.908 -0.821 671 HG12 ILE 92 HG12 ILE 92 5.252 -5.732 0.776 672 HG13 ILE 92 HG13 ILE 92 4.924 -5.128 -0.845 673 HG21 ILE 92 HG21 ILE 92 8.397 -3.744 1.186 674 HG22 ILE 92 HG22 ILE 92 8.303 -5.416 0.633 675 HG23 ILE 92 HG23 ILE 92 7.332 -4.888 2.007 676 HD11 ILE 92 HD11 ILE 92 5.719 -7.403 -0.934 677 HD12 ILE 92 HD12 ILE 92 7.175 -6.954 -0.043 678 HD13 ILE 92 HD13 ILE 92 6.904 -6.320 -1.668 679 H PHE 93 H PHE 93 3.390 -3.653 0.450 680 HA PHE 93 HA PHE 93 2.846 -2.645 -2.144 681 HD1 PHE 93 HD1 PHE 93 0.944 -3.820 -3.594 682 HD2 PHE 93 HD2 PHE 93 -1.029 -2.428 -0.091 683 HE1 PHE 93 HE1 PHE 93 -1.050 -3.281 -4.933 684 HE2 PHE 93 HE2 PHE 93 -3.021 -1.884 -1.423 685 HZ PHE 93 HZ PHE 93 -3.032 -2.313 -3.845 686 HB2 PHE 93 HB2 PHE 93 1.597 -4.508 -1.195 687 HB3 PHE 93 HB3 PHE 93 1.008 -3.488 0.109 688 H GLU 94 H GLU 94 1.957 -1.480 1.122 689 HA GLU 94 HA GLU 94 0.573 0.793 0.150 690 HB2 GLU 94 HB2 GLU 94 0.715 1.593 2.542 691 HB3 GLU 94 HB3 GLU 94 -0.052 0.032 2.297 692 HG2 GLU 94 HG2 GLU 94 1.334 -0.882 3.750 693 HG3 GLU 94 HG3 GLU 94 2.707 -0.422 2.746 694 H LEU 95 H LEU 95 3.924 0.294 1.131 695 HA LEU 95 HA LEU 95 4.752 2.978 1.084 696 HG LEU 95 HG LEU 95 5.620 0.508 2.710 697 HB2 LEU 95 HB2 LEU 95 6.266 0.470 0.342 698 HB3 LEU 95 HB3 LEU 95 7.007 2.052 0.515 699 HD11 LEU 95 HD11 LEU 95 7.744 -0.488 2.099 700 HD12 LEU 95 HD12 LEU 95 7.872 0.318 3.662 701 HD13 LEU 95 HD13 LEU 95 8.538 1.082 2.219 702 HD21 LEU 95 HD21 LEU 95 5.360 2.923 2.977 703 HD22 LEU 95 HD22 LEU 95 7.099 3.139 2.789 704 HD23 LEU 95 HD23 LEU 95 6.466 2.268 4.184 705 H SER 96 H SER 96 4.729 0.548 -1.482 706 HA SER 96 HA SER 96 5.706 2.115 -3.558 707 HG SER 96 HG SER 96 5.543 -0.993 -2.823 708 HB2 SER 96 HB2 SER 96 3.725 -0.171 -3.694 709 HB3 SER 96 HB3 SER 96 4.642 0.470 -5.058 710 H LEU 97 H LEU 97 2.456 1.891 -2.243 711 HA LEU 97 HA LEU 97 1.073 3.230 -4.295 712 HG LEU 97 HG LEU 97 0.456 0.933 -2.182 713 HB2 LEU 97 HB2 LEU 97 0.509 3.225 -1.327 714 HB3 LEU 97 HB3 LEU 97 -0.618 3.731 -2.572 715 HD11 LEU 97 HD11 LEU 97 -1.153 1.615 -0.478 716 HD12 LEU 97 HD12 LEU 97 -1.834 0.395 -1.553 717 HD13 LEU 97 HD13 LEU 97 -2.295 2.089 -1.737 718 HD21 LEU 97 HD21 LEU 97 0.079 1.401 -4.537 719 HD22 LEU 97 HD22 LEU 97 -1.531 2.019 -4.177 720 HD23 LEU 97 HD23 LEU 97 -1.166 0.312 -3.923 721 H ARG 98 H ARG 98 2.647 4.439 -1.361 722 HA ARG 98 HA ARG 98 1.845 7.142 -1.743 723 HE ARG 98 HE ARG 98 0.889 6.090 3.413 724 HB2 ARG 98 HB2 ARG 98 4.054 5.999 -0.033 725 HB3 ARG 98 HB3 ARG 98 3.450 7.649 0.057 726 HG2 ARG 98 HG2 ARG 98 1.264 6.835 0.729 727 HG3 ARG 98 HG3 ARG 98 1.833 5.167 0.603 728 HD2 ARG 98 HD2 ARG 98 3.599 5.774 2.291 729 HD3 ARG 98 HD3 ARG 98 2.744 7.299 2.521 730 HH11 ARG 98 HH11 ARG 98 3.779 4.194 2.874 731 HH12 ARG 98 HH12 ARG 98 3.279 2.874 3.895 732 HH21 ARG 98 HH21 ARG 98 0.224 4.348 4.778 733 HH22 ARG 98 HH22 ARG 98 1.255 2.949 4.950 734 H SER 99 H SER 99 4.746 5.312 -2.569 735 HA SER 99 HA SER 99 6.168 7.656 -3.437 736 HG SER 99 HG SER 99 7.674 6.541 -1.897 737 HB2 SER 99 HB2 SER 99 6.776 4.726 -3.898 738 HB3 SER 99 HB3 SER 99 7.894 6.069 -4.153 739 H LEU 100 H LEU 100 3.538 6.461 -4.720 740 HA LEU 100 HA LEU 100 4.476 6.701 -7.501 741 HG LEU 100 HG LEU 100 2.057 5.720 -8.967 742 HB2 LEU 100 HB2 LEU 100 3.673 4.432 -6.763 743 HB3 LEU 100 HB3 LEU 100 2.086 5.136 -6.557 744 HD11 LEU 100 HD11 LEU 100 4.619 4.130 -9.046 745 HD12 LEU 100 HD12 LEU 100 4.460 5.862 -9.333 746 HD13 LEU 100 HD13 LEU 100 3.725 4.711 -10.448 747 HD21 LEU 100 HD21 LEU 100 2.540 2.801 -8.358 748 HD22 LEU 100 HD22 LEU 100 1.721 3.436 -9.787 749 HD23 LEU 100 HD23 LEU 100 1.008 3.660 -8.189 750 H ALA 101 H ALA 101 1.475 6.879 -5.595 751 HA ALA 101 HA ALA 101 0.611 9.093 -7.337 752 HB1 ALA 101 HB1 ALA 101 -1.680 8.467 -6.738 753 HB2 ALA 101 HB2 ALA 101 -1.060 7.172 -5.712 754 HB3 ALA 101 HB3 ALA 101 -0.811 7.112 -7.458 755 H LEU 102 H LEU 102 2.366 9.457 -5.109 756 HA LEU 102 HA LEU 102 1.169 10.258 -2.750 757 HG LEU 102 HG LEU 102 3.360 12.362 -4.938 758 HB2 LEU 102 HB2 LEU 102 3.078 11.779 -2.412 759 HB3 LEU 102 HB3 LEU 102 3.560 10.167 -2.895 760 HD11 LEU 102 HD11 LEU 102 4.751 13.250 -3.154 761 HD12 LEU 102 HD12 LEU 102 5.733 12.836 -4.558 762 HD13 LEU 102 HD13 LEU 102 5.717 11.775 -3.150 763 HD21 LEU 102 HD21 LEU 102 3.636 10.062 -5.720 764 HD22 LEU 102 HD22 LEU 102 5.076 9.889 -4.715 765 HD23 LEU 102 HD23 LEU 102 5.070 11.032 -6.059 766 H GLU 103 H GLU 103 1.782 12.282 -5.623 767 HA GLU 103 HA GLU 103 1.079 14.339 -6.245 768 HB2 GLU 103 HB2 GLU 103 -1.317 13.629 -4.544 769 HB3 GLU 103 HB3 GLU 103 -1.233 15.023 -5.610 770 HG2 GLU 103 HG2 GLU 103 -0.892 13.479 -7.516 771 HG3 GLU 103 HG3 GLU 103 -1.124 12.125 -6.410 772 H HIS 104 H HIS 104 -0.348 14.345 -3.014 773 HA HIS 104 HA HIS 104 0.758 16.937 -2.433 774 HD1 HIS 104 HD1 HIS 104 -0.505 15.489 1.636 775 HD2 HIS 104 HD2 HIS 104 -0.526 18.955 -0.664 776 HE1 HIS 104 HE1 HIS 104 -0.346 17.394 3.271 777 HE2 HIS 104 HE2 HIS 104 -0.607 19.471 1.865 778 HB2 HIS 104 HB2 HIS 104 -1.508 16.355 -1.707 779 HB3 HIS 104 HB3 HIS 104 -0.878 15.012 -0.762 780 H HIS 105 H HIS 105 2.633 17.329 -1.423 781 HA HIS 105 HA HIS 105 4.151 15.074 -0.412 782 HD1 HIS 105 HD1 HIS 105 6.345 18.945 -2.293 783 HD2 HIS 105 HD2 HIS 105 3.587 18.968 0.823 784 HE1 HIS 105 HE1 HIS 105 5.770 21.367 -1.906 785 HE2 HIS 105 HE2 HIS 105 4.204 21.368 0.068 786 HB2 HIS 105 HB2 HIS 105 5.998 16.705 -0.101 787 HB3 HIS 105 HB3 HIS 105 5.401 16.629 -1.749 788 H HIS 106 H HIS 106 5.127 15.023 1.672 789 HA HIS 106 HA HIS 106 4.166 16.738 3.757 790 HD1 HIS 106 HD1 HIS 106 1.935 17.064 5.338 791 HD2 HIS 106 HD2 HIS 106 3.248 13.270 6.426 792 HE1 HIS 106 HE1 HIS 106 1.524 16.886 7.815 793 HE2 HIS 106 HE2 HIS 106 2.167 14.521 8.417 794 HB2 HIS 106 HB2 HIS 106 2.202 15.227 3.351 795 HB3 HIS 106 HB3 HIS 106 3.224 13.860 3.772 796 H HIS 107 H HIS 107 5.773 16.867 5.170 797 HA HIS 107 HA HIS 107 7.406 14.534 5.760 798 HD1 HIS 107 HD1 HIS 107 7.797 16.976 2.322 799 HD2 HIS 107 HD2 HIS 107 9.330 18.792 5.737 800 HE1 HIS 107 HE1 HIS 107 7.897 19.432 1.799 801 HE2 HIS 107 HE2 HIS 107 8.739 20.527 3.903 802 HB2 HIS 107 HB2 HIS 107 9.518 15.959 5.439 803 HB3 HIS 107 HB3 HIS 107 8.745 15.320 3.995 804 H HIS 108 H HIS 108 6.779 14.534 7.840 805 HA HIS 108 HA HIS 108 7.943 16.488 9.586 806 HD1 HIS 108 HD1 HIS 108 6.589 19.485 10.086 807 HD2 HIS 108 HD2 HIS 108 5.256 16.393 12.527 808 HE1 HIS 108 HE1 HIS 108 6.561 20.426 12.420 809 HE2 HIS 108 HE2 HIS 108 5.607 18.584 13.855 810 HB2 HIS 108 HB2 HIS 108 5.745 17.522 8.792 811 HB3 HIS 108 HB3 HIS 108 4.936 16.232 9.675 812 H HIS 109 H HIS 109 8.645 15.365 11.278 813 HA HIS 109 HA HIS 109 7.173 12.920 12.010 814 HD1 HIS 109 HD1 HIS 109 9.580 10.096 11.688 815 HD2 HIS 109 HD2 HIS 109 9.567 13.480 9.271 816 HE1 HIS 109 HE1 HIS 109 9.872 9.254 9.334 817 HE2 HIS 109 HE2 HIS 109 10.092 11.338 7.930 818 HB2 HIS 109 HB2 HIS 109 10.120 13.560 12.245 819 HB3 HIS 109 HB3 HIS 109 9.367 12.165 13.010 Start of MODEL 3 1 HA MET 1 HA MET 1 43.653 -0.236 21.686 2 H1 MET 1 H1 MET 1 45.421 -1.807 22.231 3 H2 MET 1 H2 MET 1 44.582 -1.259 23.595 4 H3 MET 1 H3 MET 1 46.127 -0.650 23.250 5 HB2 MET 1 HB2 MET 1 45.411 1.649 23.268 6 HB3 MET 1 HB3 MET 1 44.119 2.173 22.195 7 HG2 MET 1 HG2 MET 1 42.496 0.969 23.573 8 HG3 MET 1 HG3 MET 1 43.794 0.463 24.650 9 HE1 MET 1 HE1 MET 1 43.447 4.018 22.911 10 HE2 MET 1 HE2 MET 1 42.445 4.847 24.102 11 HE3 MET 1 HE3 MET 1 41.793 3.481 23.195 12 H ALA 2 H ALA 2 44.398 -0.934 19.757 13 HA ALA 2 HA ALA 2 45.748 0.879 18.106 14 HB1 ALA 2 HB1 ALA 2 47.405 -1.535 18.861 15 HB2 ALA 2 HB2 ALA 2 47.763 0.134 19.304 16 HB3 ALA 2 HB3 ALA 2 47.801 -0.356 17.610 17 H MET 3 H MET 3 43.377 -0.257 17.777 18 HA MET 3 HA MET 3 43.672 -2.789 16.366 19 HB2 MET 3 HB2 MET 3 41.884 -2.647 18.007 20 HB3 MET 3 HB3 MET 3 41.194 -1.264 17.167 21 HG2 MET 3 HG2 MET 3 40.681 -2.635 15.249 22 HG3 MET 3 HG3 MET 3 41.467 -4.023 15.997 23 HE1 MET 3 HE1 MET 3 38.510 -4.054 14.799 24 HE2 MET 3 HE2 MET 3 37.653 -4.966 16.041 25 HE3 MET 3 HE3 MET 3 39.266 -5.469 15.534 26 H LYS 4 H LYS 4 44.321 -2.595 14.356 27 HA LYS 4 HA LYS 4 42.802 -0.794 12.576 28 HB2 LYS 4 HB2 LYS 4 45.546 -2.012 12.163 29 HB3 LYS 4 HB3 LYS 4 44.682 -1.072 10.960 30 HG2 LYS 4 HG2 LYS 4 46.187 0.437 11.856 31 HG3 LYS 4 HG3 LYS 4 44.688 0.805 12.708 32 HD2 LYS 4 HD2 LYS 4 46.629 0.766 14.219 33 HD3 LYS 4 HD3 LYS 4 45.443 -0.474 14.632 34 HE2 LYS 4 HE2 LYS 4 47.706 -1.366 14.763 35 HE3 LYS 4 HE3 LYS 4 46.798 -2.155 13.476 36 HZ1 LYS 4 HZ1 LYS 4 49.022 -1.628 12.756 37 HZ2 LYS 4 HZ2 LYS 4 48.798 0.013 13.124 38 HZ3 LYS 4 HZ3 LYS 4 47.905 -0.705 11.873 39 H ASP 5 H ASP 5 42.495 -3.646 13.717 40 HA ASP 5 HA ASP 5 42.736 -5.560 11.721 41 HB2 ASP 5 HB2 ASP 5 42.290 -6.184 14.020 42 HB3 ASP 5 HB3 ASP 5 40.727 -5.372 13.974 43 H VAL 6 H VAL 6 41.811 -5.733 9.819 44 HA VAL 6 HA VAL 6 38.980 -5.240 9.528 45 HB VAL 6 HB VAL 6 39.866 -3.039 8.986 46 HG11 VAL 6 HG11 VAL 6 41.406 -2.699 7.105 47 HG12 VAL 6 HG12 VAL 6 41.569 -4.446 6.929 48 HG13 VAL 6 HG13 VAL 6 42.146 -3.650 8.394 49 HG21 VAL 6 HG21 VAL 6 37.948 -3.810 7.703 50 HG22 VAL 6 HG22 VAL 6 39.020 -4.550 6.514 51 HG23 VAL 6 HG23 VAL 6 38.992 -2.797 6.705 52 H VAL 7 H VAL 7 38.090 -6.676 8.206 53 HA VAL 7 HA VAL 7 39.806 -8.042 6.251 54 HB VAL 7 HB VAL 7 39.342 -9.637 8.006 55 HG11 VAL 7 HG11 VAL 7 37.048 -10.291 8.606 56 HG12 VAL 7 HG12 VAL 7 36.429 -8.985 7.594 57 HG13 VAL 7 HG13 VAL 7 37.399 -8.614 9.018 58 HG21 VAL 7 HG21 VAL 7 37.591 -10.176 5.612 59 HG22 VAL 7 HG22 VAL 7 38.190 -11.388 6.743 60 HG23 VAL 7 HG23 VAL 7 39.322 -10.493 5.728 61 H ASP 8 H ASP 8 39.158 -7.703 4.227 62 HA ASP 8 HA ASP 8 36.523 -6.528 3.793 63 HB2 ASP 8 HB2 ASP 8 38.539 -5.515 2.745 64 HB3 ASP 8 HB3 ASP 8 38.769 -6.992 1.816 65 H LYS 9 H LYS 9 34.985 -8.004 3.765 66 HA LYS 9 HA LYS 9 34.781 -9.774 1.555 67 HB2 LYS 9 HB2 LYS 9 36.241 -11.115 3.082 68 HB3 LYS 9 HB3 LYS 9 34.956 -11.074 4.281 69 HG2 LYS 9 HG2 LYS 9 33.490 -12.312 2.818 70 HG3 LYS 9 HG3 LYS 9 34.693 -12.263 1.529 71 HD2 LYS 9 HD2 LYS 9 35.005 -13.627 4.203 72 HD3 LYS 9 HD3 LYS 9 34.720 -14.425 2.655 73 HE2 LYS 9 HE2 LYS 9 36.845 -13.541 1.816 74 HE3 LYS 9 HE3 LYS 9 37.127 -12.752 3.365 75 HZ1 LYS 9 HZ1 LYS 9 38.346 -14.771 3.332 76 HZ2 LYS 9 HZ2 LYS 9 36.994 -15.666 2.834 77 HZ3 LYS 9 HZ3 LYS 9 37.040 -15.000 4.393 78 H CYS 10 H CYS 10 32.933 -8.555 1.246 79 HA CYS 10 HA CYS 10 30.749 -9.066 3.164 80 HG CYS 10 HG CYS 10 28.490 -7.693 3.177 81 HB2 CYS 10 HB2 CYS 10 31.421 -6.675 2.992 82 HB3 CYS 10 HB3 CYS 10 31.058 -6.719 1.271 83 H SER 11 H SER 11 28.690 -9.541 2.288 84 HA SER 11 HA SER 11 28.679 -10.255 -0.569 85 HG SER 11 HG SER 11 26.492 -12.291 -0.437 86 HB2 SER 11 HB2 SER 11 28.960 -12.252 0.976 87 HB3 SER 11 HB3 SER 11 27.352 -11.899 1.601 88 H THR 12 H THR 12 26.855 -9.710 -1.667 89 HA THR 12 HA THR 12 24.380 -9.158 -0.305 90 HB THR 12 HB THR 12 25.550 -7.020 0.045 91 HG1 THR 12 HG1 THR 12 23.947 -5.720 -1.326 92 HG21 THR 12 HG21 THR 12 27.062 -7.085 -1.875 93 HG22 THR 12 HG22 THR 12 26.134 -5.585 -1.846 94 HG23 THR 12 HG23 THR 12 25.692 -6.874 -2.965 95 H LYS 13 H LYS 13 22.614 -9.105 -1.725 96 HA LYS 13 HA LYS 13 22.874 -8.998 -4.546 97 HB2 LYS 13 HB2 LYS 13 22.341 -11.300 -5.101 98 HB3 LYS 13 HB3 LYS 13 23.840 -11.245 -4.184 99 HG2 LYS 13 HG2 LYS 13 22.702 -11.987 -2.191 100 HG3 LYS 13 HG3 LYS 13 21.144 -11.908 -3.019 101 HD2 LYS 13 HD2 LYS 13 23.440 -13.728 -3.751 102 HD3 LYS 13 HD3 LYS 13 21.975 -14.210 -2.893 103 HE2 LYS 13 HE2 LYS 13 20.621 -13.608 -4.816 104 HE3 LYS 13 HE3 LYS 13 22.056 -13.045 -5.673 105 HZ1 LYS 13 HZ1 LYS 13 21.423 -15.832 -4.875 106 HZ2 LYS 13 HZ2 LYS 13 22.928 -15.348 -5.491 107 HZ3 LYS 13 HZ3 LYS 13 21.538 -15.210 -6.447 108 H GLY 14 H GLY 14 20.744 -9.772 -5.594 109 HA2 GLY 14 HA2 GLY 14 18.419 -10.253 -5.365 110 HA3 GLY 14 HA3 GLY 14 18.489 -9.656 -3.714 111 H CYS 15 H CYS 15 19.498 -8.245 -6.817 112 HA CYS 15 HA CYS 15 18.205 -5.757 -6.047 113 HG CYS 15 HG CYS 15 20.894 -5.013 -5.555 114 HB2 CYS 15 HB2 CYS 15 19.839 -6.374 -8.516 115 HB3 CYS 15 HB3 CYS 15 19.374 -4.777 -7.933 116 H ALA 16 H ALA 16 16.045 -6.117 -6.254 117 HA ALA 16 HA ALA 16 15.032 -6.333 -8.996 118 HB1 ALA 16 HB1 ALA 16 14.912 -8.599 -8.088 119 HB2 ALA 16 HB2 ALA 16 13.297 -7.924 -8.302 120 HB3 ALA 16 HB3 ALA 16 14.014 -8.001 -6.692 121 H ILE 17 H ILE 17 15.407 -4.286 -6.897 122 HA ILE 17 HA ILE 17 14.379 -2.423 -6.147 123 HB ILE 17 HB ILE 17 11.891 -3.471 -7.484 124 HG12 ILE 17 HG12 ILE 17 13.626 -2.996 -9.107 125 HG13 ILE 17 HG13 ILE 17 12.406 -1.733 -9.178 126 HG21 ILE 17 HG21 ILE 17 12.480 -0.766 -6.294 127 HG22 ILE 17 HG22 ILE 17 11.306 -1.943 -5.702 128 HG23 ILE 17 HG23 ILE 17 11.060 -1.159 -7.262 129 HD11 ILE 17 HD11 ILE 17 14.653 -0.821 -9.352 130 HD12 ILE 17 HD12 ILE 17 15.063 -1.523 -7.787 131 HD13 ILE 17 HD13 ILE 17 13.843 -0.254 -7.891 132 H ASP 18 H ASP 18 14.280 -2.362 -4.120 133 HA ASP 18 HA ASP 18 12.308 -3.950 -2.630 134 HB2 ASP 18 HB2 ASP 18 14.384 -5.201 -2.450 135 HB3 ASP 18 HB3 ASP 18 15.264 -3.743 -2.004 136 H ILE 19 H ILE 19 11.214 -2.746 -1.234 137 HA ILE 19 HA ILE 19 12.396 -0.198 -0.392 138 HB ILE 19 HB ILE 19 9.973 0.606 -0.285 139 HG12 ILE 19 HG12 ILE 19 9.631 -1.725 -2.180 140 HG13 ILE 19 HG13 ILE 19 8.877 -1.558 -0.598 141 HG21 ILE 19 HG21 ILE 19 10.010 1.292 -2.648 142 HG22 ILE 19 HG22 ILE 19 11.297 0.122 -2.946 143 HG23 ILE 19 HG23 ILE 19 11.577 1.484 -1.861 144 HD11 ILE 19 HD11 ILE 19 7.645 0.394 -1.409 145 HD12 ILE 19 HD12 ILE 19 7.307 -1.051 -2.361 146 HD13 ILE 19 HD13 ILE 19 8.387 0.191 -2.996 147 H GLY 20 H GLY 20 13.041 -0.704 1.609 148 HA2 GLY 20 HA2 GLY 20 10.962 -1.686 3.462 149 HA3 GLY 20 HA3 GLY 20 12.647 -2.164 3.590 150 H THR 21 H THR 21 10.394 0.499 3.925 151 HA THR 21 HA THR 21 11.940 1.546 6.120 152 HB THR 21 HB THR 21 13.011 2.678 4.197 153 HG1 THR 21 HG1 THR 21 13.189 4.237 5.607 154 HG21 THR 21 HG21 THR 21 11.102 2.675 2.656 155 HG22 THR 21 HG22 THR 21 11.762 4.298 2.860 156 HG23 THR 21 HG23 THR 21 10.272 3.842 3.686 157 H VAL 22 H VAL 22 10.744 3.063 7.387 158 HA VAL 22 HA VAL 22 8.882 3.817 8.439 159 HB VAL 22 HB VAL 22 7.583 3.842 5.708 160 HG11 VAL 22 HG11 VAL 22 5.998 4.046 7.551 161 HG12 VAL 22 HG12 VAL 22 6.135 5.566 6.667 162 HG13 VAL 22 HG13 VAL 22 6.939 5.375 8.225 163 HG21 VAL 22 HG21 VAL 22 8.268 6.184 5.581 164 HG22 VAL 22 HG22 VAL 22 9.665 5.113 5.686 165 HG23 VAL 22 HG23 VAL 22 9.138 6.016 7.106 166 H ILE 23 H ILE 23 8.602 1.878 9.577 167 HA ILE 23 HA ILE 23 6.928 -0.190 8.483 168 HB ILE 23 HB ILE 23 7.994 0.142 11.294 169 HG12 ILE 23 HG12 ILE 23 9.308 -1.959 10.464 170 HG13 ILE 23 HG13 ILE 23 8.937 -1.340 8.864 171 HG21 ILE 23 HG21 ILE 23 5.927 -1.156 11.286 172 HG22 ILE 23 HG22 ILE 23 7.316 -2.179 11.654 173 HG23 ILE 23 HG23 ILE 23 6.590 -2.222 10.046 174 HD11 ILE 23 HD11 ILE 23 11.149 -0.648 9.615 175 HD12 ILE 23 HD12 ILE 23 10.428 0.151 11.013 176 HD13 ILE 23 HD13 ILE 23 10.081 0.738 9.387 177 H ASP 24 H ASP 24 4.982 0.685 8.055 178 HA ASP 24 HA ASP 24 3.527 2.063 10.182 179 HB2 ASP 24 HB2 ASP 24 3.491 2.969 7.856 180 HB3 ASP 24 HB3 ASP 24 2.657 1.508 7.332 181 H ASN 25 H ASN 25 3.137 0.414 11.605 182 HA ASN 25 HA ASN 25 1.991 -2.074 10.711 183 HB2 ASN 25 HB2 ASN 25 1.926 -2.591 13.184 184 HB3 ASN 25 HB3 ASN 25 3.523 -2.256 12.522 185 HD21 ASN 25 HD21 ASN 25 0.962 -1.078 14.572 186 HD22 ASN 25 HD22 ASN 25 1.887 0.181 15.321 187 H ASP 26 H ASP 26 -0.002 -2.832 11.074 188 HA ASP 26 HA ASP 26 -2.033 -1.504 12.555 189 HB2 ASP 26 HB2 ASP 26 -2.085 0.019 10.658 190 HB3 ASP 26 HB3 ASP 26 -2.141 -1.330 9.528 191 H ASN 27 H ASN 27 -2.228 -3.233 9.489 192 HA ASN 27 HA ASN 27 -2.816 -5.734 10.894 193 HB2 ASN 27 HB2 ASN 27 -4.506 -4.500 8.705 194 HB3 ASN 27 HB3 ASN 27 -4.592 -6.203 9.139 195 HD21 ASN 27 HD21 ASN 27 -5.363 -2.959 10.066 196 HD22 ASN 27 HD22 ASN 27 -6.394 -3.377 11.395 197 H CYS 28 H CYS 28 -2.996 -7.512 9.026 198 HA CYS 28 HA CYS 28 -0.717 -7.086 7.227 199 HG CYS 28 HG CYS 28 -1.041 -9.676 10.238 200 HB2 CYS 28 HB2 CYS 28 -2.182 -9.640 7.932 201 HB3 CYS 28 HB3 CYS 28 -0.725 -9.523 6.950 202 H THR 29 H THR 29 -3.701 -6.317 7.168 203 HA THR 29 HA THR 29 -4.131 -6.978 4.344 204 HB THR 29 HB THR 29 -6.286 -6.663 6.453 205 HG1 THR 29 HG1 THR 29 -6.261 -8.786 6.643 206 HG21 THR 29 HG21 THR 29 -7.799 -7.463 4.665 207 HG22 THR 29 HG22 THR 29 -6.449 -7.416 3.531 208 HG23 THR 29 HG23 THR 29 -7.037 -5.924 4.262 209 H SER 30 H SER 30 -4.432 -5.210 3.085 210 HA SER 30 HA SER 30 -4.424 -2.623 4.448 211 HG SER 30 HG SER 30 -2.829 -0.961 2.339 212 HB2 SER 30 HB2 SER 30 -2.628 -2.991 2.825 213 HB3 SER 30 HB3 SER 30 -3.816 -3.325 1.563 214 H LYS 31 H LYS 31 -6.345 -1.776 4.789 215 HA LYS 31 HA LYS 31 -8.447 -2.044 2.763 216 HB2 LYS 31 HB2 LYS 31 -8.463 -1.019 5.611 217 HB3 LYS 31 HB3 LYS 31 -9.832 -0.827 4.526 218 HG2 LYS 31 HG2 LYS 31 -8.630 -3.464 5.339 219 HG3 LYS 31 HG3 LYS 31 -10.071 -2.734 6.051 220 HD2 LYS 31 HD2 LYS 31 -9.735 -3.529 3.160 221 HD3 LYS 31 HD3 LYS 31 -10.658 -4.419 4.373 222 HE2 LYS 31 HE2 LYS 31 -12.150 -2.491 4.638 223 HE3 LYS 31 HE3 LYS 31 -11.226 -1.610 3.422 224 HZ1 LYS 31 HZ1 LYS 31 -12.771 -4.115 2.983 225 HZ2 LYS 31 HZ2 LYS 31 -11.818 -3.347 1.815 226 HZ3 LYS 31 HZ3 LYS 31 -13.185 -2.564 2.424 227 H PHE 32 H PHE 32 -8.449 -0.550 1.243 228 HA PHE 32 HA PHE 32 -7.628 2.183 1.963 229 HD1 PHE 32 HD2 PHE 32 -5.892 3.595 1.498 230 HD2 PHE 32 HD1 PHE 32 -6.766 2.215 -2.431 231 HE1 PHE 32 HE2 PHE 32 -5.237 5.788 0.590 232 HE2 PHE 32 HE1 PHE 32 -6.113 4.402 -3.345 233 HZ PHE 32 HZ PHE 32 -5.356 6.190 -1.836 234 HB2 PHE 32 HB2 PHE 32 -5.904 0.982 0.609 235 HB3 PHE 32 HB3 PHE 32 -7.091 0.802 -0.677 236 H SER 33 H SER 33 -9.258 3.540 1.780 237 HA SER 33 HA SER 33 -11.313 2.992 -0.259 238 HG SER 33 HG SER 33 -12.450 1.807 1.675 239 HB2 SER 33 HB2 SER 33 -11.692 4.468 2.358 240 HB3 SER 33 HB3 SER 33 -12.948 4.000 1.213 241 H ARG 34 H ARG 34 -11.709 4.487 -1.721 242 HA ARG 34 HA ARG 34 -10.772 7.234 -1.258 243 HE ARG 34 HE ARG 34 -9.027 7.276 -0.133 244 HB2 ARG 34 HB2 ARG 34 -10.193 5.473 -3.625 245 HB3 ARG 34 HB3 ARG 34 -10.171 7.220 -3.757 246 HG2 ARG 34 HG2 ARG 34 -8.481 5.661 -1.825 247 HG3 ARG 34 HG3 ARG 34 -7.943 6.184 -3.419 248 HD2 ARG 34 HD2 ARG 34 -7.133 7.782 -1.860 249 HD3 ARG 34 HD3 ARG 34 -8.473 8.538 -2.720 250 HH11 ARG 34 HH11 ARG 34 -8.597 10.197 -2.021 251 HH12 ARG 34 HH12 ARG 34 -9.345 11.231 -0.840 252 HH21 ARG 34 HH21 ARG 34 -10.021 8.629 1.430 253 HH22 ARG 34 HH22 ARG 34 -10.173 10.336 1.117 254 H PHE 35 H PHE 35 -11.955 8.841 -2.352 255 HA PHE 35 HA PHE 35 -14.525 7.910 -3.430 256 HD1 PHE 35 HD1 PHE 35 -16.513 8.129 -1.796 257 HD2 PHE 35 HD2 PHE 35 -13.367 10.396 -0.038 258 HE1 PHE 35 HE1 PHE 35 -17.191 7.337 0.432 259 HE2 PHE 35 HE2 PHE 35 -14.038 9.606 2.193 260 HZ PHE 35 HZ PHE 35 -15.951 8.073 2.428 261 HB2 PHE 35 HB2 PHE 35 -13.793 10.616 -2.292 262 HB3 PHE 35 HB3 PHE 35 -15.373 10.174 -2.924 263 H PHE 36 H PHE 36 -15.051 8.360 -5.479 264 HA PHE 36 HA PHE 36 -13.308 10.194 -6.980 265 HD1 PHE 36 HD1 PHE 36 -11.163 9.490 -8.069 266 HD2 PHE 36 HD2 PHE 36 -13.018 5.854 -6.860 267 HE1 PHE 36 HE1 PHE 36 -8.971 8.599 -7.402 268 HE2 PHE 36 HE2 PHE 36 -10.826 4.958 -6.192 269 HZ PHE 36 HZ PHE 36 -8.800 6.329 -6.459 270 HB2 PHE 36 HB2 PHE 36 -14.292 7.479 -7.882 271 HB3 PHE 36 HB3 PHE 36 -13.494 8.646 -8.930 272 H ALA 37 H ALA 37 -14.367 10.683 -9.201 273 HA ALA 37 HA ALA 37 -16.854 11.929 -8.638 274 HB1 ALA 37 HB1 ALA 37 -16.773 12.707 -10.936 275 HB2 ALA 37 HB2 ALA 37 -15.479 11.565 -11.297 276 HB3 ALA 37 HB3 ALA 37 -15.196 12.892 -10.170 277 H THR 38 H THR 38 -15.993 9.317 -10.930 278 HA THR 38 HA THR 38 -18.773 8.385 -10.688 279 HB THR 38 HB THR 38 -18.707 7.668 -13.060 280 HG1 THR 38 HG1 THR 38 -17.022 8.467 -14.387 281 HG21 THR 38 HG21 THR 38 -18.957 9.899 -14.064 282 HG22 THR 38 HG22 THR 38 -18.201 10.620 -12.643 283 HG23 THR 38 HG23 THR 38 -19.756 9.801 -12.494 284 H ARG 39 H ARG 39 -18.999 6.071 -11.402 285 HA ARG 39 HA ARG 39 -17.267 4.402 -9.974 286 HE ARG 39 HE ARG 39 -21.419 3.455 -11.046 287 HB2 ARG 39 HB2 ARG 39 -18.507 2.569 -10.919 288 HB3 ARG 39 HB3 ARG 39 -19.623 3.881 -10.588 289 HG2 ARG 39 HG2 ARG 39 -19.506 4.534 -12.972 290 HG3 ARG 39 HG3 ARG 39 -18.509 3.112 -13.275 291 HD2 ARG 39 HD2 ARG 39 -20.845 2.699 -13.839 292 HD3 ARG 39 HD3 ARG 39 -20.319 1.670 -12.508 293 HH11 ARG 39 HH11 ARG 39 -22.536 2.615 -14.270 294 HH12 ARG 39 HH12 ARG 39 -24.185 3.069 -13.954 295 HH21 ARG 39 HH21 ARG 39 -23.534 4.049 -10.628 296 HH22 ARG 39 HH22 ARG 39 -24.759 3.898 -11.854 297 H GLU 40 H GLU 40 -17.173 5.599 -13.200 298 HA GLU 40 HA GLU 40 -15.370 3.840 -14.427 299 HB2 GLU 40 HB2 GLU 40 -15.578 6.827 -14.835 300 HB3 GLU 40 HB3 GLU 40 -14.975 5.642 -15.981 301 HG2 GLU 40 HG2 GLU 40 -17.128 4.759 -16.352 302 HG3 GLU 40 HG3 GLU 40 -17.791 5.601 -14.954 303 H GLU 41 H GLU 41 -14.835 6.903 -12.748 304 HA GLU 41 HA GLU 41 -12.065 7.028 -12.807 305 HB2 GLU 41 HB2 GLU 41 -14.008 7.982 -10.694 306 HB3 GLU 41 HB3 GLU 41 -12.319 8.449 -10.753 307 HG2 GLU 41 HG2 GLU 41 -14.213 8.952 -13.026 308 HG3 GLU 41 HG3 GLU 41 -13.992 10.087 -11.696 309 H ALA 42 H ALA 42 -14.194 5.140 -10.831 310 HA ALA 42 HA ALA 42 -12.252 4.484 -8.814 311 HB1 ALA 42 HB1 ALA 42 -13.951 3.025 -7.905 312 HB2 ALA 42 HB2 ALA 42 -14.913 3.180 -9.375 313 HB3 ALA 42 HB3 ALA 42 -14.666 4.580 -8.331 314 H GLU 43 H GLU 43 -13.828 2.659 -11.452 315 HA GLU 43 HA GLU 43 -12.444 0.251 -10.995 316 HB2 GLU 43 HB2 GLU 43 -13.657 1.271 -13.571 317 HB3 GLU 43 HB3 GLU 43 -13.193 -0.394 -13.249 318 HG2 GLU 43 HG2 GLU 43 -14.822 -0.418 -11.371 319 HG3 GLU 43 HG3 GLU 43 -15.355 1.181 -11.881 320 H SER 44 H SER 44 -11.646 3.080 -12.903 321 HA SER 44 HA SER 44 -9.497 2.007 -14.375 322 HG SER 44 HG SER 44 -11.666 4.291 -14.591 323 HB2 SER 44 HB2 SER 44 -9.861 4.856 -13.408 324 HB3 SER 44 HB3 SER 44 -8.829 4.331 -14.738 325 H PHE 45 H PHE 45 -9.753 3.062 -11.063 326 HA PHE 45 HA PHE 45 -6.905 3.343 -10.696 327 HD1 PHE 45 HD2 PHE 45 -6.028 5.215 -9.121 328 HD2 PHE 45 HD1 PHE 45 -8.200 2.530 -6.636 329 HE1 PHE 45 HE2 PHE 45 -4.331 5.477 -7.361 330 HE2 PHE 45 HE1 PHE 45 -6.509 2.786 -4.869 331 HZ PHE 45 HZ PHE 45 -4.569 4.262 -5.231 332 HB2 PHE 45 HB2 PHE 45 -8.548 4.685 -9.406 333 HB3 PHE 45 HB3 PHE 45 -9.124 3.210 -8.640 334 H MET 46 H MET 46 -9.356 0.900 -10.150 335 HA MET 46 HA MET 46 -7.789 -0.718 -8.413 336 HB2 MET 46 HB2 MET 46 -10.231 -0.787 -8.392 337 HB3 MET 46 HB3 MET 46 -10.240 -1.401 -10.040 338 HG2 MET 46 HG2 MET 46 -10.640 -3.162 -8.392 339 HG3 MET 46 HG3 MET 46 -9.172 -3.443 -9.326 340 HE1 MET 46 HE1 MET 46 -10.617 -2.160 -5.905 341 HE2 MET 46 HE2 MET 46 -9.554 -0.840 -6.393 342 HE3 MET 46 HE3 MET 46 -9.140 -1.837 -4.997 343 H THR 47 H THR 47 -8.120 -0.532 -11.880 344 HA THR 47 HA THR 47 -7.359 -3.076 -12.669 345 HB THR 47 HB THR 47 -6.566 -0.494 -14.032 346 HG1 THR 47 HG1 THR 47 -8.585 -0.547 -14.959 347 HG21 THR 47 HG21 THR 47 -5.474 -2.502 -14.944 348 HG22 THR 47 HG22 THR 47 -6.640 -1.826 -16.081 349 HG23 THR 47 HG23 THR 47 -7.054 -3.263 -15.147 350 H LYS 48 H LYS 48 -5.216 -0.278 -12.096 351 HA LYS 48 HA LYS 48 -2.862 -1.818 -12.559 352 HB2 LYS 48 HB2 LYS 48 -1.672 0.202 -11.709 353 HB3 LYS 48 HB3 LYS 48 -2.757 0.491 -13.060 354 HG2 LYS 48 HG2 LYS 48 -4.465 1.100 -11.192 355 HG3 LYS 48 HG3 LYS 48 -3.009 1.327 -10.218 356 HD2 LYS 48 HD2 LYS 48 -3.659 2.670 -12.837 357 HD3 LYS 48 HD3 LYS 48 -3.633 3.415 -11.243 358 HE2 LYS 48 HE2 LYS 48 -1.295 3.244 -11.075 359 HE3 LYS 48 HE3 LYS 48 -1.205 2.089 -12.404 360 HZ1 LYS 48 HZ1 LYS 48 -1.870 4.977 -12.612 361 HZ2 LYS 48 HZ2 LYS 48 -1.937 3.878 -13.903 362 HZ3 LYS 48 HZ3 LYS 48 -0.454 4.218 -13.155 363 H LEU 49 H LEU 49 -4.760 -1.034 -9.755 364 HA LEU 49 HA LEU 49 -2.910 -1.749 -7.753 365 HG LEU 49 HG LEU 49 -5.680 -0.064 -6.015 366 HB2 LEU 49 HB2 LEU 49 -5.856 -1.471 -7.932 367 HB3 LEU 49 HB3 LEU 49 -5.244 -2.452 -6.616 368 HD11 LEU 49 HD11 LEU 49 -3.617 0.234 -4.758 369 HD12 LEU 49 HD12 LEU 49 -2.814 -0.968 -5.767 370 HD13 LEU 49 HD13 LEU 49 -4.143 -1.450 -4.714 371 HD21 LEU 49 HD21 LEU 49 -3.309 0.462 -7.809 372 HD22 LEU 49 HD22 LEU 49 -4.071 1.632 -6.734 373 HD23 LEU 49 HD23 LEU 49 -4.970 0.983 -8.104 374 H LYS 50 H LYS 50 -5.153 -3.649 -9.689 375 HA LYS 50 HA LYS 50 -4.887 -6.142 -8.478 376 HB2 LYS 50 HB2 LYS 50 -5.268 -5.348 -11.362 377 HB3 LYS 50 HB3 LYS 50 -5.396 -7.003 -10.798 378 HG2 LYS 50 HG2 LYS 50 -7.387 -6.640 -9.753 379 HG3 LYS 50 HG3 LYS 50 -7.048 -4.928 -9.469 380 HD2 LYS 50 HD2 LYS 50 -7.684 -4.308 -11.573 381 HD3 LYS 50 HD3 LYS 50 -7.286 -5.874 -12.269 382 HE2 LYS 50 HE2 LYS 50 -9.263 -6.838 -11.148 383 HE3 LYS 50 HE3 LYS 50 -9.662 -5.237 -10.526 384 HZ1 LYS 50 HZ1 LYS 50 -10.870 -5.932 -12.595 385 HZ2 LYS 50 HZ2 LYS 50 -9.392 -5.809 -13.424 386 HZ3 LYS 50 HZ3 LYS 50 -10.070 -4.440 -12.693 387 H GLU 51 H GLU 51 -2.891 -4.566 -10.934 388 HA GLU 51 HA GLU 51 -1.160 -6.766 -11.398 389 HB2 GLU 51 HB2 GLU 51 -0.583 -3.827 -11.823 390 HB3 GLU 51 HB3 GLU 51 0.210 -5.182 -12.613 391 HG2 GLU 51 HG2 GLU 51 -1.863 -5.758 -13.744 392 HG3 GLU 51 HG3 GLU 51 -2.688 -4.431 -12.931 393 H LEU 52 H LEU 52 -0.932 -3.859 -9.400 394 HA LEU 52 HA LEU 52 1.646 -4.298 -8.382 395 HG LEU 52 HG LEU 52 0.050 -1.818 -9.288 396 HB2 LEU 52 HB2 LEU 52 -0.701 -2.833 -7.172 397 HB3 LEU 52 HB3 LEU 52 0.937 -2.753 -6.558 398 HD11 LEU 52 HD11 LEU 52 -0.795 -0.398 -7.497 399 HD12 LEU 52 HD12 LEU 52 0.468 0.423 -8.413 400 HD13 LEU 52 HD13 LEU 52 0.832 -0.259 -6.828 401 HD21 LEU 52 HD21 LEU 52 2.721 -1.582 -7.904 402 HD22 LEU 52 HD22 LEU 52 2.296 -0.879 -9.465 403 HD23 LEU 52 HD23 LEU 52 2.356 -2.632 -9.272 404 H ALA 53 H ALA 53 -1.522 -5.384 -7.282 405 HA ALA 53 HA ALA 53 -0.776 -6.393 -4.774 406 HB1 ALA 53 HB1 ALA 53 -3.102 -6.041 -5.463 407 HB2 ALA 53 HB2 ALA 53 -2.837 -7.681 -4.869 408 HB3 ALA 53 HB3 ALA 53 -2.960 -7.380 -6.602 409 H ALA 54 H ALA 54 -0.539 -7.780 -7.989 410 HA ALA 54 HA ALA 54 0.001 -10.444 -7.136 411 HB1 ALA 54 HB1 ALA 54 0.674 -10.842 -9.436 412 HB2 ALA 54 HB2 ALA 54 0.714 -9.105 -9.744 413 HB3 ALA 54 HB3 ALA 54 -0.818 -9.902 -9.388 414 H ALA 55 H ALA 55 2.023 -7.710 -8.090 415 HA ALA 55 HA ALA 55 4.491 -9.067 -7.991 416 HB1 ALA 55 HB1 ALA 55 4.150 -6.952 -9.183 417 HB2 ALA 55 HB2 ALA 55 5.502 -6.862 -8.054 418 HB3 ALA 55 HB3 ALA 55 3.956 -6.120 -7.639 419 H ALA 56 H ALA 56 2.623 -7.375 -5.541 420 HA ALA 56 HA ALA 56 4.813 -7.426 -3.649 421 HB1 ALA 56 HB1 ALA 56 1.958 -6.556 -3.243 422 HB2 ALA 56 HB2 ALA 56 3.278 -5.511 -3.768 423 HB3 ALA 56 HB3 ALA 56 3.320 -6.246 -2.164 424 H SER 57 H SER 57 2.369 -9.597 -4.560 425 HA SER 57 HA SER 57 1.813 -10.665 -1.974 426 HG SER 57 HG SER 57 1.927 -11.494 -5.449 427 HB2 SER 57 HB2 SER 57 0.572 -12.383 -3.112 428 HB3 SER 57 HB3 SER 57 0.245 -10.850 -3.915 429 H SER 58 H SER 58 2.674 -12.368 -0.955 430 HA SER 58 HA SER 58 5.329 -13.107 -1.465 431 HG SER 58 HG SER 58 4.371 -12.593 1.472 432 HB2 SER 58 HB2 SER 58 3.559 -14.874 0.169 433 HB3 SER 58 HB3 SER 58 5.186 -14.287 0.514 434 H ALA 59 H ALA 59 2.323 -14.403 -2.581 435 HA ALA 59 HA ALA 59 3.465 -17.003 -3.216 436 HB1 ALA 59 HB1 ALA 59 1.201 -17.668 -3.761 437 HB2 ALA 59 HB2 ALA 59 0.650 -16.003 -3.580 438 HB3 ALA 59 HB3 ALA 59 1.253 -16.890 -2.180 439 H ASP 60 H ASP 60 3.366 -14.075 -4.736 440 HA ASP 60 HA ASP 60 3.941 -13.415 -6.830 441 HB2 ASP 60 HB2 ASP 60 4.598 -16.286 -6.925 442 HB3 ASP 60 HB3 ASP 60 4.338 -15.523 -8.489 443 H GLU 61 H GLU 61 1.414 -15.780 -6.520 444 HA GLU 61 HA GLU 61 0.223 -15.455 -9.061 445 HB2 GLU 61 HB2 GLU 61 -1.040 -16.186 -6.410 446 HB3 GLU 61 HB3 GLU 61 -1.811 -16.367 -7.979 447 HG2 GLU 61 HG2 GLU 61 0.741 -17.749 -7.194 448 HG3 GLU 61 HG3 GLU 61 -0.863 -18.462 -7.031 449 H GLY 62 H GLY 62 -0.614 -14.058 -5.922 450 HA2 GLY 62 HA2 GLY 62 -1.020 -11.453 -6.583 451 HA3 GLY 62 HA3 GLY 62 -2.526 -12.242 -7.044 452 H ALA 63 H ALA 63 -2.316 -10.278 -5.020 453 HA ALA 63 HA ALA 63 -2.438 -11.697 -2.495 454 HB1 ALA 63 HB1 ALA 63 -2.954 -8.788 -3.104 455 HB2 ALA 63 HB2 ALA 63 -1.407 -9.473 -2.609 456 HB3 ALA 63 HB3 ALA 63 -2.780 -9.507 -1.503 457 H SER 64 H SER 64 -4.300 -11.735 -1.158 458 HA SER 64 HA SER 64 -6.737 -12.236 -2.483 459 HG SER 64 HG SER 64 -5.867 -13.784 0.688 460 HB2 SER 64 HB2 SER 64 -6.291 -11.643 0.452 461 HB3 SER 64 HB3 SER 64 -7.678 -12.475 -0.255 462 H VAL 65 H VAL 65 -7.533 -10.556 -3.629 463 HA VAL 65 HA VAL 65 -7.798 -7.971 -2.283 464 HB VAL 65 HB VAL 65 -6.615 -7.777 -4.359 465 HG11 VAL 65 HG11 VAL 65 -7.621 -8.397 -6.522 466 HG12 VAL 65 HG12 VAL 65 -8.963 -9.146 -5.659 467 HG13 VAL 65 HG13 VAL 65 -7.333 -9.794 -5.484 468 HG21 VAL 65 HG21 VAL 65 -8.142 -5.957 -3.825 469 HG22 VAL 65 HG22 VAL 65 -9.441 -6.775 -4.695 470 HG23 VAL 65 HG23 VAL 65 -8.028 -6.188 -5.570 471 H ALA 66 H ALA 66 -9.652 -7.598 -1.371 472 HA ALA 66 HA ALA 66 -12.120 -8.479 -2.725 473 HB1 ALA 66 HB1 ALA 66 -13.233 -8.242 -0.552 474 HB2 ALA 66 HB2 ALA 66 -11.711 -7.729 0.175 475 HB3 ALA 66 HB3 ALA 66 -11.879 -9.368 -0.451 476 H TYR 67 H TYR 67 -12.642 -6.830 -4.056 477 HA TYR 67 HA TYR 67 -12.453 -4.112 -2.941 478 HD1 TYR 67 HD1 TYR 67 -14.001 -4.126 -6.843 479 HD2 TYR 67 HD2 TYR 67 -10.545 -6.433 -5.929 480 HE1 TYR 67 HE1 TYR 67 -14.412 -5.513 -8.829 481 HE2 TYR 67 HE2 TYR 67 -10.948 -7.833 -7.912 482 HH TYR 67 HH TYR 67 -13.291 -6.981 -10.322 483 HB2 TYR 67 HB2 TYR 67 -12.259 -3.305 -5.275 484 HB3 TYR 67 HB3 TYR 67 -10.934 -4.359 -4.801 485 H LYS 68 H LYS 68 -14.145 -2.728 -3.106 486 HA LYS 68 HA LYS 68 -16.538 -3.648 -4.527 487 HB2 LYS 68 HB2 LYS 68 -16.410 -2.665 -1.685 488 HB3 LYS 68 HB3 LYS 68 -17.895 -2.623 -2.626 489 HG2 LYS 68 HG2 LYS 68 -17.709 -5.062 -2.953 490 HG3 LYS 68 HG3 LYS 68 -16.296 -5.057 -1.906 491 HD2 LYS 68 HD2 LYS 68 -18.257 -5.719 -0.643 492 HD3 LYS 68 HD3 LYS 68 -17.687 -4.145 -0.081 493 HE2 LYS 68 HE2 LYS 68 -19.394 -3.029 -1.391 494 HE3 LYS 68 HE3 LYS 68 -19.927 -4.573 -2.056 495 HZ1 LYS 68 HZ1 LYS 68 -20.048 -3.797 0.813 496 HZ2 LYS 68 HZ2 LYS 68 -20.578 -5.269 0.163 497 HZ3 LYS 68 HZ3 LYS 68 -21.360 -3.828 -0.260 498 H ILE 69 H ILE 69 -17.952 -2.016 -5.147 499 HA ILE 69 HA ILE 69 -16.863 0.718 -5.070 500 HB ILE 69 HB ILE 69 -17.998 -0.615 -7.538 501 HG12 ILE 69 HG12 ILE 69 -15.186 0.337 -6.936 502 HG13 ILE 69 HG13 ILE 69 -15.701 -1.345 -7.000 503 HG21 ILE 69 HG21 ILE 69 -16.917 2.178 -7.150 504 HG22 ILE 69 HG22 ILE 69 -18.612 1.746 -7.382 505 HG23 ILE 69 HG23 ILE 69 -17.448 1.480 -8.680 506 HD11 ILE 69 HD11 ILE 69 -14.547 -0.693 -9.029 507 HD12 ILE 69 HD12 ILE 69 -15.722 0.595 -9.297 508 HD13 ILE 69 HD13 ILE 69 -16.232 -1.092 -9.363 509 H LYS 70 H LYS 70 -18.312 1.940 -4.080 510 HA LYS 70 HA LYS 70 -21.150 1.224 -4.335 511 HB2 LYS 70 HB2 LYS 70 -20.351 1.301 -2.042 512 HB3 LYS 70 HB3 LYS 70 -19.751 2.933 -2.283 513 HG2 LYS 70 HG2 LYS 70 -21.802 3.027 -1.058 514 HG3 LYS 70 HG3 LYS 70 -22.071 3.689 -2.671 515 HD2 LYS 70 HD2 LYS 70 -22.910 1.386 -3.322 516 HD3 LYS 70 HD3 LYS 70 -22.896 1.000 -1.599 517 HE2 LYS 70 HE2 LYS 70 -24.402 2.900 -1.186 518 HE3 LYS 70 HE3 LYS 70 -24.450 3.223 -2.919 519 HZ1 LYS 70 HZ1 LYS 70 -26.330 1.968 -2.613 520 HZ2 LYS 70 HZ2 LYS 70 -25.641 1.000 -1.403 521 HZ3 LYS 70 HZ3 LYS 70 -25.216 0.755 -3.028 522 H ASP 71 H ASP 71 -22.303 2.370 -5.657 523 HA ASP 71 HA ASP 71 -21.375 4.877 -6.717 524 HB2 ASP 71 HB2 ASP 71 -23.827 3.189 -7.190 525 HB3 ASP 71 HB3 ASP 71 -23.658 4.791 -7.890 526 H LEU 72 H LEU 72 -21.720 6.761 -5.748 527 HA LEU 72 HA LEU 72 -23.998 7.000 -3.900 528 HG LEU 72 HG LEU 72 -21.167 6.218 -2.986 529 HB2 LEU 72 HB2 LEU 72 -21.377 8.505 -3.938 530 HB3 LEU 72 HB3 LEU 72 -22.692 8.817 -2.821 531 HD11 LEU 72 HD11 LEU 72 -20.156 6.920 -0.860 532 HD12 LEU 72 HD12 LEU 72 -20.939 8.492 -1.024 533 HD13 LEU 72 HD13 LEU 72 -19.719 7.988 -2.195 534 HD21 LEU 72 HD21 LEU 72 -23.456 5.962 -2.171 535 HD22 LEU 72 HD22 LEU 72 -23.174 7.222 -0.970 536 HD23 LEU 72 HD23 LEU 72 -22.286 5.701 -0.877 537 H GLU 73 H GLU 73 -24.317 9.625 -3.628 538 HA GLU 73 HA GLU 73 -25.233 10.398 -6.283 539 HB2 GLU 73 HB2 GLU 73 -26.657 10.497 -4.147 540 HB3 GLU 73 HB3 GLU 73 -25.708 11.918 -3.727 541 HG2 GLU 73 HG2 GLU 73 -27.821 12.526 -4.770 542 HG3 GLU 73 HG3 GLU 73 -26.446 13.037 -5.752 543 H GLY 74 H GLY 74 -23.562 11.214 -7.440 544 HA2 GLY 74 HA2 GLY 74 -22.529 13.261 -8.115 545 HA3 GLY 74 HA3 GLY 74 -22.408 13.729 -6.425 546 H GLN 75 H GLN 75 -21.527 10.775 -6.043 547 HA GLN 75 HA GLN 75 -18.852 10.801 -7.134 548 HB2 GLN 75 HB2 GLN 75 -17.739 10.768 -4.943 549 HB3 GLN 75 HB3 GLN 75 -18.594 12.283 -5.197 550 HG2 GLN 75 HG2 GLN 75 -20.441 11.464 -3.816 551 HG3 GLN 75 HG3 GLN 75 -19.561 9.960 -3.544 552 HE21 GLN 75 HE21 GLN 75 -17.725 9.989 -2.215 553 HE22 GLN 75 HE22 GLN 75 -17.408 11.294 -1.130 554 H VAL 76 H VAL 76 -17.606 8.860 -6.056 555 HA VAL 76 HA VAL 76 -19.462 6.720 -5.260 556 HB VAL 76 HB VAL 76 -18.266 5.087 -6.643 557 HG11 VAL 76 HG11 VAL 76 -19.141 5.760 -8.838 558 HG12 VAL 76 HG12 VAL 76 -19.393 7.394 -8.219 559 HG13 VAL 76 HG13 VAL 76 -20.297 6.042 -7.537 560 HG21 VAL 76 HG21 VAL 76 -16.842 7.469 -7.819 561 HG22 VAL 76 HG22 VAL 76 -16.725 5.806 -8.394 562 HG23 VAL 76 HG23 VAL 76 -16.120 6.229 -6.793 563 H GLU 77 H GLU 77 -18.387 4.926 -4.175 564 HA GLU 77 HA GLU 77 -15.883 5.785 -2.886 565 HB2 GLU 77 HB2 GLU 77 -17.774 5.608 -1.322 566 HB3 GLU 77 HB3 GLU 77 -18.025 3.937 -1.811 567 HG2 GLU 77 HG2 GLU 77 -15.809 3.356 -0.955 568 HG3 GLU 77 HG3 GLU 77 -15.571 5.028 -0.454 569 H LEU 78 H LEU 78 -14.187 4.756 -3.648 570 HA LEU 78 HA LEU 78 -14.424 2.006 -4.620 571 HG LEU 78 HG LEU 78 -11.362 2.497 -6.682 572 HB2 LEU 78 HB2 LEU 78 -13.187 3.752 -5.936 573 HB3 LEU 78 HB3 LEU 78 -12.030 3.864 -4.628 574 HD11 LEU 78 HD11 LEU 78 -10.101 2.386 -4.611 575 HD12 LEU 78 HD12 LEU 78 -10.216 0.788 -5.348 576 HD13 LEU 78 HD13 LEU 78 -11.230 1.195 -3.965 577 HD21 LEU 78 HD21 LEU 78 -13.414 1.280 -7.029 578 HD22 LEU 78 HD22 LEU 78 -13.295 0.554 -5.426 579 HD23 LEU 78 HD23 LEU 78 -12.112 0.147 -6.670 580 H ASP 79 H ASP 79 -14.126 0.419 -3.235 581 HA ASP 79 HA ASP 79 -12.537 0.953 -0.809 582 HB2 ASP 79 HB2 ASP 79 -14.996 0.671 -0.435 583 HB3 ASP 79 HB3 ASP 79 -14.864 -0.960 -1.081 584 H ALA 80 H ALA 80 -10.707 -0.147 -0.739 585 HA ALA 80 HA ALA 80 -10.552 -2.702 -2.197 586 HB1 ALA 80 HB1 ALA 80 -9.166 -0.984 -3.200 587 HB2 ALA 80 HB2 ALA 80 -8.159 -2.239 -2.479 588 HB3 ALA 80 HB3 ALA 80 -8.373 -0.694 -1.654 589 H ALA 81 H ALA 81 -9.542 -4.426 -1.260 590 HA ALA 81 HA ALA 81 -8.430 -4.173 1.423 591 HB1 ALA 81 HB1 ALA 81 -10.764 -4.783 1.789 592 HB2 ALA 81 HB2 ALA 81 -9.700 -6.125 2.210 593 HB3 ALA 81 HB3 ALA 81 -10.591 -6.151 0.689 594 H PHE 82 H PHE 82 -6.409 -4.825 1.019 595 HA PHE 82 HA PHE 82 -6.037 -7.219 -0.659 596 HD1 PHE 82 HD1 PHE 82 -4.529 -6.671 -3.213 597 HD2 PHE 82 HD2 PHE 82 -5.433 -3.221 -0.891 598 HE1 PHE 82 HE1 PHE 82 -5.249 -5.493 -5.247 599 HE2 PHE 82 HE2 PHE 82 -6.156 -2.039 -2.923 600 HZ PHE 82 HZ PHE 82 -6.063 -3.175 -5.105 601 HB2 PHE 82 HB2 PHE 82 -4.083 -5.007 0.006 602 HB3 PHE 82 HB3 PHE 82 -3.700 -6.431 -0.953 603 H THR 83 H THR 83 -5.802 -8.993 0.514 604 HA THR 83 HA THR 83 -4.541 -8.856 3.148 605 HB THR 83 HB THR 83 -5.779 -11.267 1.808 606 HG1 THR 83 HG1 THR 83 -6.984 -9.065 2.645 607 HG21 THR 83 HG21 THR 83 -5.195 -10.644 4.709 608 HG22 THR 83 HG22 THR 83 -4.305 -11.780 3.695 609 HG23 THR 83 HG23 THR 83 -5.990 -12.099 4.109 610 H PHE 84 H PHE 84 -2.379 -8.925 3.099 611 HA PHE 84 HA PHE 84 -1.051 -10.636 1.127 612 HD1 PHE 84 HD2 PHE 84 0.843 -9.236 -0.560 613 HD2 PHE 84 HD1 PHE 84 -1.311 -6.691 2.082 614 HE1 PHE 84 HE2 PHE 84 0.426 -7.670 -2.413 615 HE2 PHE 84 HE1 PHE 84 -1.731 -5.123 0.238 616 HZ PHE 84 HZ PHE 84 -0.860 -5.616 -2.013 617 HB2 PHE 84 HB2 PHE 84 0.030 -8.469 2.928 618 HB3 PHE 84 HB3 PHE 84 1.030 -9.451 1.864 619 H SER 85 H SER 85 -1.972 -10.543 4.298 620 HA SER 85 HA SER 85 -1.906 -12.074 5.973 621 HG SER 85 HG SER 85 -2.102 -13.410 3.258 622 HB2 SER 85 HB2 SER 85 -0.046 -13.686 4.210 623 HB3 SER 85 HB3 SER 85 -0.855 -14.255 5.668 624 H CYS 86 H CYS 86 1.142 -11.132 4.514 625 HA CYS 86 HA CYS 86 2.388 -11.088 7.170 626 HG CYS 86 HG CYS 86 4.507 -13.461 6.207 627 HB2 CYS 86 HB2 CYS 86 3.660 -10.754 4.443 628 HB3 CYS 86 HB3 CYS 86 4.511 -10.876 5.979 629 H GLN 87 H GLN 87 3.389 -9.151 7.901 630 HA GLN 87 HA GLN 87 1.924 -6.816 7.108 631 HB2 GLN 87 HB2 GLN 87 2.412 -7.178 9.455 632 HB3 GLN 87 HB3 GLN 87 4.140 -7.150 9.129 633 HG2 GLN 87 HG2 GLN 87 4.188 -4.881 8.826 634 HG3 GLN 87 HG3 GLN 87 2.486 -4.788 8.379 635 HE21 GLN 87 HE21 GLN 87 0.922 -4.860 10.017 636 HE22 GLN 87 HE22 GLN 87 1.313 -4.518 11.672 637 H ALA 88 H ALA 88 5.152 -8.058 6.571 638 HA ALA 88 HA ALA 88 6.325 -5.656 5.631 639 HB1 ALA 88 HB1 ALA 88 7.682 -7.603 6.223 640 HB2 ALA 88 HB2 ALA 88 8.006 -7.085 4.569 641 HB3 ALA 88 HB3 ALA 88 6.997 -8.501 4.869 642 H GLU 89 H GLU 89 4.867 -8.389 3.879 643 HA GLU 89 HA GLU 89 4.785 -7.349 1.346 644 HB2 GLU 89 HB2 GLU 89 3.136 -9.271 2.910 645 HB3 GLU 89 HB3 GLU 89 2.525 -8.766 1.344 646 HG2 GLU 89 HG2 GLU 89 3.715 -10.753 1.017 647 HG3 GLU 89 HG3 GLU 89 4.729 -9.473 0.375 648 H MET 90 H MET 90 2.789 -6.524 4.093 649 HA MET 90 HA MET 90 0.806 -5.135 2.567 650 HB2 MET 90 HB2 MET 90 0.420 -6.137 4.834 651 HB3 MET 90 HB3 MET 90 1.421 -4.864 5.515 652 HG2 MET 90 HG2 MET 90 -0.980 -4.203 3.861 653 HG3 MET 90 HG3 MET 90 -1.143 -4.626 5.563 654 HE1 MET 90 HE1 MET 90 1.481 -3.383 6.847 655 HE2 MET 90 HE2 MET 90 -0.129 -3.215 7.546 656 HE3 MET 90 HE3 MET 90 0.890 -1.791 7.323 657 H ILE 91 H ILE 91 3.582 -4.098 4.571 658 HA ILE 91 HA ILE 91 3.093 -1.338 4.108 659 HB ILE 91 HB ILE 91 5.457 -1.041 5.002 660 HG12 ILE 91 HG12 ILE 91 5.129 -3.956 5.712 661 HG13 ILE 91 HG13 ILE 91 6.197 -3.371 4.447 662 HG21 ILE 91 HG21 ILE 91 3.350 -2.426 6.640 663 HG22 ILE 91 HG22 ILE 91 3.514 -0.692 6.368 664 HG23 ILE 91 HG23 ILE 91 4.731 -1.557 7.310 665 HD11 ILE 91 HD11 ILE 91 7.392 -3.845 6.519 666 HD12 ILE 91 HD12 ILE 91 6.392 -2.661 7.364 667 HD13 ILE 91 HD13 ILE 91 7.494 -2.138 6.090 668 H ILE 92 H ILE 92 5.169 -3.715 2.476 669 HA ILE 92 HA ILE 92 6.565 -1.810 0.910 670 HB ILE 92 HB ILE 92 7.123 -3.636 -0.608 671 HG12 ILE 92 HG12 ILE 92 5.287 -5.347 1.074 672 HG13 ILE 92 HG13 ILE 92 4.937 -4.799 -0.561 673 HG21 ILE 92 HG21 ILE 92 8.423 -3.354 1.415 674 HG22 ILE 92 HG22 ILE 92 8.303 -5.063 0.994 675 HG23 ILE 92 HG23 ILE 92 7.312 -4.403 2.295 676 HD11 ILE 92 HD11 ILE 92 7.217 -6.595 0.237 677 HD12 ILE 92 HD12 ILE 92 6.838 -6.066 -1.402 678 HD13 ILE 92 HD13 ILE 92 5.711 -7.105 -0.530 679 H PHE 93 H PHE 93 3.452 -3.351 0.607 680 HA PHE 93 HA PHE 93 2.869 -2.469 -2.025 681 HD1 PHE 93 HD2 PHE 93 1.495 -3.834 -3.395 682 HD2 PHE 93 HD1 PHE 93 -1.225 -2.443 -0.429 683 HE1 PHE 93 HE2 PHE 93 -0.278 -3.680 -5.094 684 HE2 PHE 93 HE1 PHE 93 -2.998 -2.291 -2.125 685 HZ PHE 93 HZ PHE 93 -2.526 -2.912 -4.457 686 HB2 PHE 93 HB2 PHE 93 1.670 -4.290 -0.743 687 HB3 PHE 93 HB3 PHE 93 0.898 -3.021 0.201 688 H GLU 94 H GLU 94 2.169 -1.202 1.202 689 HA GLU 94 HA GLU 94 0.812 1.125 0.547 690 HB2 GLU 94 HB2 GLU 94 2.754 0.584 2.796 691 HB3 GLU 94 HB3 GLU 94 1.760 2.029 2.694 692 HG2 GLU 94 HG2 GLU 94 0.640 -0.755 2.751 693 HG3 GLU 94 HG3 GLU 94 0.898 0.229 4.192 694 H LEU 95 H LEU 95 4.317 0.712 1.050 695 HA LEU 95 HA LEU 95 5.087 3.328 0.527 696 HG LEU 95 HG LEU 95 6.062 1.004 2.323 697 HB2 LEU 95 HB2 LEU 95 6.584 0.778 -0.074 698 HB3 LEU 95 HB3 LEU 95 7.302 2.377 -0.063 699 HD11 LEU 95 HD11 LEU 95 8.123 -0.070 1.656 700 HD12 LEU 95 HD12 LEU 95 8.370 0.852 3.139 701 HD13 LEU 95 HD13 LEU 95 8.946 1.488 1.597 702 HD21 LEU 95 HD21 LEU 95 7.033 2.845 3.605 703 HD22 LEU 95 HD22 LEU 95 5.845 3.424 2.437 704 HD23 LEU 95 HD23 LEU 95 7.568 3.607 2.107 705 H SER 96 H SER 96 4.641 0.645 -1.743 706 HA SER 96 HA SER 96 5.436 2.025 -4.052 707 HG SER 96 HG SER 96 5.300 -0.993 -2.998 708 HB2 SER 96 HB2 SER 96 3.419 -0.220 -3.812 709 HB3 SER 96 HB3 SER 96 4.245 0.274 -5.290 710 H LEU 97 H LEU 97 2.220 1.598 -2.603 711 HA LEU 97 HA LEU 97 0.766 2.948 -4.599 712 HG LEU 97 HG LEU 97 0.331 0.506 -2.433 713 HB2 LEU 97 HB2 LEU 97 0.121 2.775 -1.656 714 HB3 LEU 97 HB3 LEU 97 -1.007 3.161 -2.938 715 HD11 LEU 97 HD11 LEU 97 -1.996 -0.248 -2.134 716 HD12 LEU 97 HD12 LEU 97 -2.539 1.421 -2.310 717 HD13 LEU 97 HD13 LEU 97 -1.513 0.964 -0.949 718 HD21 LEU 97 HD21 LEU 97 -0.913 -0.331 -4.349 719 HD22 LEU 97 HD22 LEU 97 0.192 0.953 -4.843 720 HD23 LEU 97 HD23 LEU 97 -1.532 1.289 -4.677 721 H ARG 98 H ARG 98 2.192 4.096 -1.577 722 HA ARG 98 HA ARG 98 0.941 6.639 -1.681 723 HE ARG 98 HE ARG 98 0.637 3.777 2.522 724 HB2 ARG 98 HB2 ARG 98 3.349 5.742 -0.097 725 HB3 ARG 98 HB3 ARG 98 2.443 7.224 0.180 726 HG2 ARG 98 HG2 ARG 98 0.460 5.944 0.742 727 HG3 ARG 98 HG3 ARG 98 1.310 4.438 0.395 728 HD2 ARG 98 HD2 ARG 98 2.966 5.127 2.182 729 HD3 ARG 98 HD3 ARG 98 1.823 6.396 2.624 730 HH11 ARG 98 HH11 ARG 98 2.346 6.074 4.565 731 HH12 ARG 98 HH12 ARG 98 1.827 5.316 6.043 732 HH21 ARG 98 HH21 ARG 98 -0.010 2.788 4.440 733 HH22 ARG 98 HH22 ARG 98 0.522 3.425 5.981 734 H SER 99 H SER 99 4.083 5.458 -2.728 735 HA SER 99 HA SER 99 5.125 8.061 -3.306 736 HG SER 99 HG SER 99 6.340 5.066 -2.253 737 HB2 SER 99 HB2 SER 99 6.098 5.391 -4.345 738 HB3 SER 99 HB3 SER 99 7.019 6.891 -4.241 739 H LEU 100 H LEU 100 3.333 5.648 -5.080 740 HA LEU 100 HA LEU 100 3.853 6.831 -7.659 741 HG LEU 100 HG LEU 100 1.656 5.717 -9.280 742 HB2 LEU 100 HB2 LEU 100 3.392 4.384 -7.203 743 HB3 LEU 100 HB3 LEU 100 1.716 4.826 -6.953 744 HD11 LEU 100 HD11 LEU 100 4.365 4.412 -9.479 745 HD12 LEU 100 HD12 LEU 100 4.043 6.145 -9.544 746 HD13 LEU 100 HD13 LEU 100 3.437 5.087 -10.818 747 HD21 LEU 100 HD21 LEU 100 0.822 3.485 -8.755 748 HD22 LEU 100 HD22 LEU 100 2.437 2.818 -8.993 749 HD23 LEU 100 HD23 LEU 100 1.562 3.522 -10.354 750 H ALA 101 H ALA 101 1.403 7.017 -5.193 751 HA ALA 101 HA ALA 101 -0.480 8.411 -6.881 752 HB1 ALA 101 HB1 ALA 101 -1.283 6.899 -5.149 753 HB2 ALA 101 HB2 ALA 101 -1.862 8.542 -4.873 754 HB3 ALA 101 HB3 ALA 101 -0.528 7.904 -3.912 755 H LEU 102 H LEU 102 2.329 9.345 -5.446 756 HA LEU 102 HA LEU 102 1.710 11.754 -4.159 757 HG LEU 102 HG LEU 102 3.863 9.732 -3.557 758 HB2 LEU 102 HB2 LEU 102 4.162 10.912 -5.691 759 HB3 LEU 102 HB3 LEU 102 4.049 12.449 -4.858 760 HD11 LEU 102 HD11 LEU 102 6.023 10.300 -2.578 761 HD12 LEU 102 HD12 LEU 102 6.050 11.805 -3.499 762 HD13 LEU 102 HD13 LEU 102 6.111 10.256 -4.339 763 HD21 LEU 102 HD21 LEU 102 3.872 12.499 -2.361 764 HD22 LEU 102 HD22 LEU 102 3.951 10.989 -1.453 765 HD23 LEU 102 HD23 LEU 102 2.509 11.380 -2.391 766 H GLU 103 H GLU 103 2.768 11.271 -7.534 767 HA GLU 103 HA GLU 103 1.932 13.987 -8.151 768 HB2 GLU 103 HB2 GLU 103 3.718 12.013 -9.364 769 HB3 GLU 103 HB3 GLU 103 2.744 12.897 -10.533 770 HG2 GLU 103 HG2 GLU 103 4.571 14.078 -8.457 771 HG3 GLU 103 HG3 GLU 103 4.841 14.018 -10.201 772 H HIS 104 H HIS 104 1.258 10.745 -9.514 773 HA HIS 104 HA HIS 104 -1.079 11.999 -10.765 774 HD1 HIS 104 HD1 HIS 104 -0.378 7.653 -12.023 775 HD2 HIS 104 HD2 HIS 104 2.825 10.262 -11.517 776 HE1 HIS 104 HE1 HIS 104 1.669 6.197 -11.841 777 HE2 HIS 104 HE2 HIS 104 3.585 7.794 -11.449 778 HB2 HIS 104 HB2 HIS 104 -0.996 10.078 -12.404 779 HB3 HIS 104 HB3 HIS 104 0.312 11.243 -12.502 780 H HIS 105 H HIS 105 -2.187 11.689 -8.711 781 HA HIS 105 HA HIS 105 -3.543 9.075 -8.826 782 HD1 HIS 105 HD1 HIS 105 -1.787 11.767 -5.533 783 HD2 HIS 105 HD2 HIS 105 -5.846 11.938 -6.433 784 HE1 HIS 105 HE1 HIS 105 -2.611 13.938 -4.563 785 HE2 HIS 105 HE2 HIS 105 -5.098 13.939 -4.973 786 HB2 HIS 105 HB2 HIS 105 -4.353 9.416 -6.576 787 HB3 HIS 105 HB3 HIS 105 -2.614 9.654 -6.571 788 H HIS 106 H HIS 106 -3.622 11.907 -10.149 789 HA HIS 106 HA HIS 106 -6.432 12.578 -9.765 790 HD1 HIS 106 HD1 HIS 106 -5.736 15.009 -13.211 791 HD2 HIS 106 HD2 HIS 106 -7.281 15.562 -9.390 792 HE1 HIS 106 HE1 HIS 106 -7.667 16.607 -13.475 793 HE2 HIS 106 HE2 HIS 106 -8.718 16.721 -11.186 794 HB2 HIS 106 HB2 HIS 106 -4.707 14.376 -9.726 795 HB3 HIS 106 HB3 HIS 106 -4.301 13.985 -11.393 796 H HIS 107 H HIS 107 -7.884 11.656 -11.047 797 HA HIS 107 HA HIS 107 -7.030 10.430 -13.544 798 HD1 HIS 107 HD1 HIS 107 -8.567 9.642 -9.922 799 HD2 HIS 107 HD2 HIS 107 -7.975 7.141 -13.191 800 HE1 HIS 107 HE1 HIS 107 -7.706 7.478 -8.972 801 HE2 HIS 107 HE2 HIS 107 -7.206 6.044 -10.982 802 HB2 HIS 107 HB2 HIS 107 -9.714 10.423 -12.155 803 HB3 HIS 107 HB3 HIS 107 -9.323 9.512 -13.608 804 H HIS 108 H HIS 108 -10.235 11.813 -13.191 805 HA HIS 108 HA HIS 108 -9.492 13.861 -15.177 806 HD1 HIS 108 HD1 HIS 108 -13.650 14.684 -15.482 807 HD2 HIS 108 HD2 HIS 108 -10.426 14.002 -18.023 808 HE1 HIS 108 HE1 HIS 108 -13.979 16.236 -17.432 809 HE2 HIS 108 HE2 HIS 108 -11.936 15.921 -18.880 810 HB2 HIS 108 HB2 HIS 108 -11.121 12.081 -15.951 811 HB3 HIS 108 HB3 HIS 108 -12.263 12.717 -14.771 812 H HIS 109 H HIS 109 -11.526 13.129 -12.366 813 HA HIS 109 HA HIS 109 -11.996 15.972 -11.923 814 HD1 HIS 109 HD1 HIS 109 -14.634 16.827 -11.118 815 HD2 HIS 109 HD2 HIS 109 -13.018 14.923 -7.790 816 HE1 HIS 109 HE1 HIS 109 -15.350 18.202 -9.135 817 HE2 HIS 109 HE2 HIS 109 -14.290 17.088 -7.138 818 HB2 HIS 109 HB2 HIS 109 -13.823 14.333 -11.509 819 HB3 HIS 109 HB3 HIS 109 -12.857 13.622 -10.219 Start of MODEL 4 1 HA MET 1 HA MET 1 16.724 1.201 32.884 2 H1 MET 1 H1 MET 1 16.762 3.542 32.289 3 H2 MET 1 H2 MET 1 15.554 3.281 31.133 4 H3 MET 1 H3 MET 1 17.073 2.550 30.950 5 HB2 MET 1 HB2 MET 1 14.058 2.631 33.018 6 HB3 MET 1 HB3 MET 1 14.461 1.202 33.957 7 HG2 MET 1 HG2 MET 1 14.692 3.149 35.331 8 HG3 MET 1 HG3 MET 1 16.285 2.460 35.035 9 HE1 MET 1 HE1 MET 1 17.338 4.733 35.947 10 HE2 MET 1 HE2 MET 1 15.738 5.441 36.169 11 HE3 MET 1 HE3 MET 1 16.975 6.321 35.271 12 H ALA 2 H ALA 2 13.903 2.014 30.848 13 HA ALA 2 HA ALA 2 13.648 -0.835 30.188 14 HB1 ALA 2 HB1 ALA 2 11.708 1.432 29.734 15 HB2 ALA 2 HB2 ALA 2 11.655 0.282 31.071 16 HB3 ALA 2 HB3 ALA 2 11.405 -0.276 29.416 17 H MET 3 H MET 3 14.005 -1.601 28.207 18 HA MET 3 HA MET 3 14.749 -1.756 26.082 19 HB2 MET 3 HB2 MET 3 13.303 0.874 25.779 20 HB3 MET 3 HB3 MET 3 14.017 -0.008 24.437 21 HG2 MET 3 HG2 MET 3 12.561 -1.930 24.992 22 HG3 MET 3 HG3 MET 3 11.784 -0.937 26.225 23 HE1 MET 3 HE1 MET 3 13.051 0.003 22.587 24 HE2 MET 3 HE2 MET 3 11.554 -0.192 21.675 25 HE3 MET 3 HE3 MET 3 12.317 -1.594 22.428 26 H LYS 4 H LYS 4 16.894 -1.748 26.329 27 HA LYS 4 HA LYS 4 18.261 0.847 26.422 28 HB2 LYS 4 HB2 LYS 4 19.272 -1.901 27.172 29 HB3 LYS 4 HB3 LYS 4 20.199 -0.410 27.288 30 HG2 LYS 4 HG2 LYS 4 18.496 0.455 28.881 31 HG3 LYS 4 HG3 LYS 4 17.722 -1.131 28.838 32 HD2 LYS 4 HD2 LYS 4 19.730 -2.170 29.711 33 HD3 LYS 4 HD3 LYS 4 20.577 -0.622 29.674 34 HE2 LYS 4 HE2 LYS 4 18.835 0.262 31.243 35 HE3 LYS 4 HE3 LYS 4 18.221 -1.385 31.387 36 HZ1 LYS 4 HZ1 LYS 4 20.281 -2.096 32.323 37 HZ2 LYS 4 HZ2 LYS 4 19.781 -0.721 33.173 38 HZ3 LYS 4 HZ3 LYS 4 21.012 -0.597 32.015 39 H ASP 5 H ASP 5 18.647 -2.397 24.982 40 HA ASP 5 HA ASP 5 19.796 -1.127 22.615 41 HB2 ASP 5 HB2 ASP 5 21.257 -2.796 24.546 42 HB3 ASP 5 HB3 ASP 5 21.442 -3.296 22.869 43 H VAL 6 H VAL 6 19.030 -1.971 20.821 44 HA VAL 6 HA VAL 6 18.132 -4.765 20.812 45 HB VAL 6 HB VAL 6 16.277 -4.134 19.273 46 HG11 VAL 6 HG11 VAL 6 16.179 -2.833 21.991 47 HG12 VAL 6 HG12 VAL 6 15.820 -4.521 21.628 48 HG13 VAL 6 HG13 VAL 6 14.781 -3.243 20.998 49 HG21 VAL 6 HG21 VAL 6 15.549 -1.790 19.183 50 HG22 VAL 6 HG22 VAL 6 17.144 -2.011 18.463 51 HG23 VAL 6 HG23 VAL 6 16.992 -1.315 20.076 52 H VAL 7 H VAL 7 18.305 -5.825 18.784 53 HA VAL 7 HA VAL 7 19.898 -4.378 16.780 54 HB VAL 7 HB VAL 7 21.452 -5.795 17.911 55 HG11 VAL 7 HG11 VAL 7 21.169 -8.234 18.073 56 HG12 VAL 7 HG12 VAL 7 19.529 -8.066 17.446 57 HG13 VAL 7 HG13 VAL 7 19.958 -7.342 18.996 58 HG21 VAL 7 HG21 VAL 7 20.636 -7.027 15.283 59 HG22 VAL 7 HG22 VAL 7 22.177 -7.302 16.095 60 HG23 VAL 7 HG23 VAL 7 21.758 -5.688 15.524 61 H ASP 8 H ASP 8 18.505 -4.076 15.176 62 HA ASP 8 HA ASP 8 16.570 -6.146 14.512 63 HB2 ASP 8 HB2 ASP 8 15.718 -3.878 14.553 64 HB3 ASP 8 HB3 ASP 8 16.955 -3.349 13.420 65 H LYS 9 H LYS 9 17.009 -7.660 13.204 66 HA LYS 9 HA LYS 9 19.310 -7.448 11.438 67 HB2 LYS 9 HB2 LYS 9 17.568 -9.819 12.128 68 HB3 LYS 9 HB3 LYS 9 19.077 -9.866 11.239 69 HG2 LYS 9 HG2 LYS 9 20.316 -9.176 13.166 70 HG3 LYS 9 HG3 LYS 9 18.829 -8.909 14.075 71 HD2 LYS 9 HD2 LYS 9 19.657 -11.589 12.971 72 HD3 LYS 9 HD3 LYS 9 20.044 -11.044 14.601 73 HE2 LYS 9 HE2 LYS 9 18.125 -12.309 14.915 74 HE3 LYS 9 HE3 LYS 9 17.506 -10.661 14.843 75 HZ1 LYS 9 HZ1 LYS 9 17.561 -12.510 12.520 76 HZ2 LYS 9 HZ2 LYS 9 16.777 -11.008 12.615 77 HZ3 LYS 9 HZ3 LYS 9 16.217 -12.314 13.536 78 H CYS 10 H CYS 10 18.883 -6.595 9.513 79 HA CYS 10 HA CYS 10 16.281 -7.104 8.272 80 HG CYS 10 HG CYS 10 17.583 -4.924 5.242 81 HB2 CYS 10 HB2 CYS 10 16.823 -4.760 8.501 82 HB3 CYS 10 HB3 CYS 10 18.384 -4.999 7.726 83 H SER 11 H SER 11 16.260 -8.795 6.947 84 HA SER 11 HA SER 11 18.545 -9.390 5.266 85 HG SER 11 HG SER 11 15.177 -9.762 5.723 86 HB2 SER 11 HB2 SER 11 16.927 -11.131 4.294 87 HB3 SER 11 HB3 SER 11 17.380 -11.339 5.984 88 H THR 12 H THR 12 18.835 -7.692 3.907 89 HA THR 12 HA THR 12 16.704 -6.160 2.857 90 HB THR 12 HB THR 12 19.560 -6.186 1.878 91 HG1 THR 12 HG1 THR 12 19.795 -4.474 3.471 92 HG21 THR 12 HG21 THR 12 17.997 -4.939 0.460 93 HG22 THR 12 HG22 THR 12 19.087 -3.842 1.308 94 HG23 THR 12 HG23 THR 12 17.427 -4.041 1.868 95 H LYS 13 H LYS 13 15.367 -7.610 1.790 96 HA LYS 13 HA LYS 13 16.330 -8.453 -0.864 97 HB2 LYS 13 HB2 LYS 13 14.002 -9.462 0.783 98 HB3 LYS 13 HB3 LYS 13 14.342 -9.965 -0.863 99 HG2 LYS 13 HG2 LYS 13 16.415 -10.980 -0.177 100 HG3 LYS 13 HG3 LYS 13 16.205 -10.368 1.466 101 HD2 LYS 13 HD2 LYS 13 15.568 -12.747 1.256 102 HD3 LYS 13 HD3 LYS 13 14.216 -11.726 1.756 103 HE2 LYS 13 HE2 LYS 13 13.517 -11.637 -0.648 104 HE3 LYS 13 HE3 LYS 13 14.755 -12.848 -0.989 105 HZ1 LYS 13 HZ1 LYS 13 13.646 -14.410 0.398 106 HZ2 LYS 13 HZ2 LYS 13 12.485 -13.750 -0.651 107 HZ3 LYS 13 HZ3 LYS 13 12.554 -13.241 0.967 108 H GLY 14 H GLY 14 14.619 -6.104 0.717 109 HA2 GLY 14 HA2 GLY 14 12.450 -5.853 -1.197 110 HA3 GLY 14 HA3 GLY 14 12.713 -4.846 0.219 111 H CYS 15 H CYS 15 14.292 -5.589 -2.887 112 HA CYS 15 HA CYS 15 15.089 -2.771 -3.075 113 HG CYS 15 HG CYS 15 18.530 -4.106 -3.095 114 HB2 CYS 15 HB2 CYS 15 15.999 -5.129 -4.745 115 HB3 CYS 15 HB3 CYS 15 16.683 -3.507 -4.761 116 H ALA 16 H ALA 16 12.392 -4.032 -3.619 117 HA ALA 16 HA ALA 16 12.049 -3.813 -6.473 118 HB1 ALA 16 HB1 ALA 16 9.723 -4.365 -6.048 119 HB2 ALA 16 HB2 ALA 16 9.973 -4.165 -4.312 120 HB3 ALA 16 HB3 ALA 16 10.788 -5.469 -5.178 121 H ILE 17 H ILE 17 11.302 -1.855 -3.636 122 HA ILE 17 HA ILE 17 10.502 0.309 -5.443 123 HB ILE 17 HB ILE 17 8.942 1.059 -3.529 124 HG12 ILE 17 HG12 ILE 17 7.872 -1.046 -2.454 125 HG13 ILE 17 HG13 ILE 17 9.399 -1.835 -2.825 126 HG21 ILE 17 HG21 ILE 17 8.249 -1.293 -5.274 127 HG22 ILE 17 HG22 ILE 17 8.177 0.411 -5.724 128 HG23 ILE 17 HG23 ILE 17 7.089 -0.221 -4.489 129 HD11 ILE 17 HD11 ILE 17 9.350 -1.059 -0.534 130 HD12 ILE 17 HD12 ILE 17 9.038 0.589 -1.080 131 HD13 ILE 17 HD13 ILE 17 10.576 -0.189 -1.457 132 H ASP 18 H ASP 18 10.962 2.416 -4.771 133 HA ASP 18 HA ASP 18 12.972 2.592 -2.634 134 HB2 ASP 18 HB2 ASP 18 13.818 3.347 -4.782 135 HB3 ASP 18 HB3 ASP 18 12.442 4.429 -4.982 136 H ILE 19 H ILE 19 11.559 2.747 -0.912 137 HA ILE 19 HA ILE 19 10.134 5.309 -0.714 138 HB ILE 19 HB ILE 19 9.042 2.717 0.400 139 HG12 ILE 19 HG12 ILE 19 8.164 4.249 -2.057 140 HG13 ILE 19 HG13 ILE 19 8.964 2.686 -2.058 141 HG21 ILE 19 HG21 ILE 19 7.005 4.058 0.760 142 HG22 ILE 19 HG22 ILE 19 7.860 5.486 0.176 143 HG23 ILE 19 HG23 ILE 19 8.389 4.686 1.656 144 HD11 ILE 19 HD11 ILE 19 6.589 2.460 -2.441 145 HD12 ILE 19 HD12 ILE 19 6.253 3.266 -0.909 146 HD13 ILE 19 HD13 ILE 19 7.061 1.696 -0.924 147 H GLY 20 H GLY 20 11.016 2.448 1.207 148 HA2 GLY 20 HA2 GLY 20 12.868 3.141 2.906 149 HA3 GLY 20 HA3 GLY 20 11.582 4.186 3.497 150 H THR 21 H THR 21 9.398 2.634 3.262 151 HA THR 21 HA THR 21 8.176 0.919 4.082 152 HB THR 21 HB THR 21 10.778 -0.561 4.406 153 HG1 THR 21 HG1 THR 21 10.752 -0.511 2.284 154 HG21 THR 21 HG21 THR 21 9.367 -2.573 4.282 155 HG22 THR 21 HG22 THR 21 7.931 -1.553 4.198 156 HG23 THR 21 HG23 THR 21 8.926 -1.558 5.654 157 H VAL 22 H VAL 22 7.276 1.384 5.930 158 HA VAL 22 HA VAL 22 8.862 1.785 8.332 159 HB VAL 22 HB VAL 22 6.672 2.374 9.391 160 HG11 VAL 22 HG11 VAL 22 6.430 4.514 8.235 161 HG12 VAL 22 HG12 VAL 22 7.367 3.891 6.877 162 HG13 VAL 22 HG13 VAL 22 8.128 4.091 8.456 163 HG21 VAL 22 HG21 VAL 22 4.739 2.766 7.904 164 HG22 VAL 22 HG22 VAL 22 5.179 1.063 8.009 165 HG23 VAL 22 HG23 VAL 22 5.626 2.000 6.584 166 H ILE 23 H ILE 23 8.797 0.490 10.125 167 HA ILE 23 HA ILE 23 7.789 -2.192 9.690 168 HB ILE 23 HB ILE 23 9.473 -1.044 11.922 169 HG12 ILE 23 HG12 ILE 23 11.102 -2.795 10.991 170 HG13 ILE 23 HG13 ILE 23 10.041 -2.877 9.592 171 HG21 ILE 23 HG21 ILE 23 8.037 -2.752 12.861 172 HG22 ILE 23 HG22 ILE 23 9.693 -3.349 12.753 173 HG23 ILE 23 HG23 ILE 23 8.489 -3.873 11.576 174 HD11 ILE 23 HD11 ILE 23 11.524 -0.453 10.572 175 HD12 ILE 23 HD12 ILE 23 10.412 -0.484 9.204 176 HD13 ILE 23 HD13 ILE 23 11.902 -1.424 9.150 177 H ASP 24 H ASP 24 5.677 -2.322 9.972 178 HA ASP 24 HA ASP 24 4.598 -1.631 12.598 179 HB2 ASP 24 HB2 ASP 24 4.006 0.263 11.174 180 HB3 ASP 24 HB3 ASP 24 3.326 -0.828 9.970 181 H ASN 25 H ASN 25 3.183 -3.090 13.363 182 HA ASN 25 HA ASN 25 2.378 -5.266 11.543 183 HB2 ASN 25 HB2 ASN 25 3.049 -5.406 14.494 184 HB3 ASN 25 HB3 ASN 25 2.347 -6.733 13.574 185 HD21 ASN 25 HD21 ASN 25 3.586 -7.790 12.033 186 HD22 ASN 25 HD22 ASN 25 5.315 -7.654 12.003 187 H ASP 26 H ASP 26 0.271 -5.647 11.358 188 HA ASP 26 HA ASP 26 -1.589 -4.799 13.426 189 HB2 ASP 26 HB2 ASP 26 -1.341 -2.791 12.002 190 HB3 ASP 26 HB3 ASP 26 -1.758 -3.749 10.587 191 H ASN 27 H ASN 27 -1.995 -5.476 9.992 192 HA ASN 27 HA ASN 27 -2.871 -8.201 10.535 193 HB2 ASN 27 HB2 ASN 27 -4.599 -6.070 9.263 194 HB3 ASN 27 HB3 ASN 27 -4.849 -7.776 8.925 195 HD21 ASN 27 HD21 ASN 27 -5.095 -5.249 11.293 196 HD22 ASN 27 HD22 ASN 27 -6.065 -6.140 12.425 197 H CYS 28 H CYS 28 -3.517 -9.120 8.161 198 HA CYS 28 HA CYS 28 -1.261 -8.366 6.437 199 HG CYS 28 HG CYS 28 -0.128 -10.287 7.902 200 HB2 CYS 28 HB2 CYS 28 -3.065 -10.800 6.319 201 HB3 CYS 28 HB3 CYS 28 -1.655 -10.513 5.305 202 H THR 29 H THR 29 -4.151 -7.245 6.856 203 HA THR 29 HA THR 29 -5.108 -7.372 4.093 204 HB THR 29 HB THR 29 -6.491 -6.103 6.463 205 HG1 THR 29 HG1 THR 29 -7.257 -8.025 7.010 206 HG21 THR 29 HG21 THR 29 -7.320 -5.441 4.249 207 HG22 THR 29 HG22 THR 29 -8.507 -6.415 5.115 208 HG23 THR 29 HG23 THR 29 -7.545 -7.138 3.826 209 H SER 30 H SER 30 -4.641 -5.816 2.752 210 HA SER 30 HA SER 30 -3.639 -3.269 3.783 211 HG SER 30 HG SER 30 -2.371 -5.512 2.732 212 HB2 SER 30 HB2 SER 30 -3.591 -4.361 0.963 213 HB3 SER 30 HB3 SER 30 -2.704 -2.969 1.572 214 H LYS 31 H LYS 31 -5.063 -1.698 3.971 215 HA LYS 31 HA LYS 31 -7.490 -1.712 2.323 216 HB2 LYS 31 HB2 LYS 31 -6.789 -0.581 5.014 217 HB3 LYS 31 HB3 LYS 31 -8.164 0.050 4.120 218 HG2 LYS 31 HG2 LYS 31 -8.003 -2.889 4.463 219 HG3 LYS 31 HG3 LYS 31 -8.380 -1.917 5.889 220 HD2 LYS 31 HD2 LYS 31 -9.861 -1.828 3.256 221 HD3 LYS 31 HD3 LYS 31 -10.412 -2.643 4.722 222 HE2 LYS 31 HE2 LYS 31 -10.415 -0.496 5.907 223 HE3 LYS 31 HE3 LYS 31 -9.890 0.318 4.435 224 HZ1 LYS 31 HZ1 LYS 31 -12.460 -1.110 4.855 225 HZ2 LYS 31 HZ2 LYS 31 -11.956 -0.456 3.370 226 HZ3 LYS 31 HZ3 LYS 31 -12.245 0.564 4.693 227 H PHE 32 H PHE 32 -7.764 -0.230 0.785 228 HA PHE 32 HA PHE 32 -6.583 2.429 1.187 229 HD1 PHE 32 HD2 PHE 32 -7.896 2.908 -2.537 230 HD2 PHE 32 HD1 PHE 32 -4.192 3.405 -0.506 231 HE1 PHE 32 HE2 PHE 32 -7.620 5.113 -3.589 232 HE2 PHE 32 HE1 PHE 32 -3.911 5.613 -1.553 233 HZ PHE 32 HZ PHE 32 -5.631 6.471 -3.095 234 HB2 PHE 32 HB2 PHE 32 -5.266 1.269 -0.567 235 HB3 PHE 32 HB3 PHE 32 -6.746 1.013 -1.489 236 H SER 33 H SER 33 -8.126 3.905 1.281 237 HA SER 33 HA SER 33 -10.655 3.392 -0.144 238 HG SER 33 HG SER 33 -10.901 2.042 2.192 239 HB2 SER 33 HB2 SER 33 -10.568 4.860 2.478 240 HB3 SER 33 HB3 SER 33 -11.920 4.019 1.721 241 H ARG 34 H ARG 34 -11.010 4.933 -1.638 242 HA ARG 34 HA ARG 34 -10.578 7.728 -0.900 243 HE ARG 34 HE ARG 34 -6.892 8.563 -2.545 244 HB2 ARG 34 HB2 ARG 34 -8.490 7.195 -2.007 245 HB3 ARG 34 HB3 ARG 34 -9.347 6.468 -3.359 246 HG2 ARG 34 HG2 ARG 34 -10.272 8.647 -3.952 247 HG3 ARG 34 HG3 ARG 34 -9.429 9.381 -2.589 248 HD2 ARG 34 HD2 ARG 34 -8.027 7.910 -4.806 249 HD3 ARG 34 HD3 ARG 34 -8.335 9.646 -4.842 250 HH11 ARG 34 HH11 ARG 34 -6.873 10.417 -5.510 251 HH12 ARG 34 HH12 ARG 34 -5.285 11.077 -5.243 252 HH21 ARG 34 HH21 ARG 34 -4.831 9.468 -2.150 253 HH22 ARG 34 HH22 ARG 34 -4.132 10.556 -3.322 254 H PHE 35 H PHE 35 -11.973 9.156 -1.953 255 HA PHE 35 HA PHE 35 -14.223 7.948 -3.335 256 HD1 PHE 35 HD1 PHE 35 -16.629 8.672 -2.042 257 HD2 PHE 35 HD2 PHE 35 -13.311 10.641 -0.240 258 HE1 PHE 35 HE1 PHE 35 -17.564 8.206 0.184 259 HE2 PHE 35 HE2 PHE 35 -14.241 10.171 1.990 260 HZ PHE 35 HZ PHE 35 -16.370 8.957 2.203 261 HB2 PHE 35 HB2 PHE 35 -13.674 10.825 -2.555 262 HB3 PHE 35 HB3 PHE 35 -15.163 10.257 -3.300 263 H PHE 36 H PHE 36 -14.765 8.282 -5.455 264 HA PHE 36 HA PHE 36 -12.884 9.849 -7.091 265 HD1 PHE 36 HD1 PHE 36 -10.873 8.792 -8.758 266 HD2 PHE 36 HD2 PHE 36 -12.572 5.917 -6.120 267 HE1 PHE 36 HE1 PHE 36 -8.617 8.015 -8.156 268 HE2 PHE 36 HE2 PHE 36 -10.318 5.137 -5.515 269 HZ PHE 36 HZ PHE 36 -8.341 6.186 -6.533 270 HB2 PHE 36 HB2 PHE 36 -13.949 7.082 -7.655 271 HB3 PHE 36 HB3 PHE 36 -13.254 8.110 -8.907 272 H ALA 37 H ALA 37 -13.782 10.514 -9.178 273 HA ALA 37 HA ALA 37 -16.243 11.825 -8.795 274 HB1 ALA 37 HB1 ALA 37 -15.981 12.634 -11.059 275 HB2 ALA 37 HB2 ALA 37 -14.755 11.409 -11.383 276 HB3 ALA 37 HB3 ALA 37 -14.431 12.693 -10.218 277 H THR 38 H THR 38 -15.374 8.949 -10.670 278 HA THR 38 HA THR 38 -18.233 8.290 -10.823 279 HB THR 38 HB THR 38 -17.850 7.373 -13.130 280 HG1 THR 38 HG1 THR 38 -15.844 8.825 -13.956 281 HG21 THR 38 HG21 THR 38 -17.935 9.552 -14.283 282 HG22 THR 38 HG22 THR 38 -17.431 10.344 -12.789 283 HG23 THR 38 HG23 THR 38 -18.981 9.507 -12.863 284 H ARG 39 H ARG 39 -18.630 5.963 -11.128 285 HA ARG 39 HA ARG 39 -16.943 4.277 -9.657 286 HE ARG 39 HE ARG 39 -18.051 -0.571 -10.984 287 HB2 ARG 39 HB2 ARG 39 -19.225 3.629 -9.957 288 HB3 ARG 39 HB3 ARG 39 -19.066 3.633 -11.706 289 HG2 ARG 39 HG2 ARG 39 -17.440 1.756 -11.495 290 HG3 ARG 39 HG3 ARG 39 -17.804 1.704 -9.771 291 HD2 ARG 39 HD2 ARG 39 -20.096 1.154 -10.218 292 HD3 ARG 39 HD3 ARG 39 -19.857 1.380 -11.950 293 HH11 ARG 39 HH11 ARG 39 -21.447 -0.102 -11.711 294 HH12 ARG 39 HH12 ARG 39 -21.750 -1.783 -12.020 295 HH21 ARG 39 HH21 ARG 39 -18.443 -2.786 -11.379 296 HH22 ARG 39 HH22 ARG 39 -20.034 -3.307 -11.842 297 H GLU 40 H GLU 40 -17.029 5.089 -13.046 298 HA GLU 40 HA GLU 40 -15.324 3.195 -14.133 299 HB2 GLU 40 HB2 GLU 40 -15.494 6.145 -14.754 300 HB3 GLU 40 HB3 GLU 40 -14.731 4.937 -15.771 301 HG2 GLU 40 HG2 GLU 40 -16.913 3.797 -15.972 302 HG3 GLU 40 HG3 GLU 40 -17.646 5.117 -15.065 303 H GLU 41 H GLU 41 -14.547 6.275 -12.591 304 HA GLU 41 HA GLU 41 -11.770 6.179 -12.784 305 HB2 GLU 41 HB2 GLU 41 -13.555 7.399 -10.676 306 HB3 GLU 41 HB3 GLU 41 -11.825 7.682 -10.762 307 HG2 GLU 41 HG2 GLU 41 -13.818 8.358 -12.906 308 HG3 GLU 41 HG3 GLU 41 -13.097 9.496 -11.767 309 H ALA 42 H ALA 42 -13.957 4.564 -10.616 310 HA ALA 42 HA ALA 42 -11.934 3.727 -8.751 311 HB1 ALA 42 HB1 ALA 42 -13.695 2.311 -7.801 312 HB2 ALA 42 HB2 ALA 42 -14.744 2.715 -9.161 313 HB3 ALA 42 HB3 ALA 42 -14.245 3.971 -8.028 314 H GLU 43 H GLU 43 -13.723 2.218 -11.410 315 HA GLU 43 HA GLU 43 -12.561 -0.329 -11.300 316 HB2 GLU 43 HB2 GLU 43 -13.436 1.145 -13.794 317 HB3 GLU 43 HB3 GLU 43 -13.284 -0.593 -13.602 318 HG2 GLU 43 HG2 GLU 43 -15.239 1.127 -12.095 319 HG3 GLU 43 HG3 GLU 43 -15.616 0.224 -13.558 320 H SER 44 H SER 44 -11.612 2.589 -13.059 321 HA SER 44 HA SER 44 -9.344 1.507 -14.339 322 HG SER 44 HG SER 44 -10.349 2.930 -16.048 323 HB2 SER 44 HB2 SER 44 -9.997 4.375 -13.625 324 HB3 SER 44 HB3 SER 44 -8.732 3.873 -14.747 325 H PHE 45 H PHE 45 -9.819 2.798 -11.117 326 HA PHE 45 HA PHE 45 -7.031 3.200 -10.605 327 HD1 PHE 45 HD1 PHE 45 -6.754 5.480 -9.000 328 HD2 PHE 45 HD2 PHE 45 -7.936 2.067 -6.750 329 HE1 PHE 45 HE1 PHE 45 -5.074 6.030 -7.290 330 HE2 PHE 45 HE2 PHE 45 -6.255 2.609 -5.039 331 HZ PHE 45 HZ PHE 45 -4.822 4.593 -5.306 332 HB2 PHE 45 HB2 PHE 45 -8.922 4.334 -9.370 333 HB3 PHE 45 HB3 PHE 45 -9.239 2.794 -8.579 334 H MET 46 H MET 46 -9.336 0.611 -10.228 335 HA MET 46 HA MET 46 -7.766 -1.060 -8.563 336 HB2 MET 46 HB2 MET 46 -10.216 -1.268 -8.808 337 HB3 MET 46 HB3 MET 46 -9.998 -1.803 -10.465 338 HG2 MET 46 HG2 MET 46 -10.437 -3.652 -8.912 339 HG3 MET 46 HG3 MET 46 -8.885 -3.802 -9.734 340 HE1 MET 46 HE1 MET 46 -9.190 -2.219 -5.412 341 HE2 MET 46 HE2 MET 46 -10.618 -2.639 -6.358 342 HE3 MET 46 HE3 MET 46 -9.600 -1.286 -6.851 343 H THR 47 H THR 47 -7.747 -0.429 -11.951 344 HA THR 47 HA THR 47 -6.764 -2.805 -13.002 345 HB THR 47 HB THR 47 -5.853 -0.105 -13.980 346 HG1 THR 47 HG1 THR 47 -8.303 -1.149 -14.863 347 HG21 THR 47 HG21 THR 47 -5.030 -2.110 -15.143 348 HG22 THR 47 HG22 THR 47 -6.100 -1.159 -16.174 349 HG23 THR 47 HG23 THR 47 -6.691 -2.635 -15.408 350 H LYS 48 H LYS 48 -4.900 -0.003 -11.763 351 HA LYS 48 HA LYS 48 -2.399 -1.301 -12.205 352 HB2 LYS 48 HB2 LYS 48 -1.381 0.529 -10.984 353 HB3 LYS 48 HB3 LYS 48 -2.570 1.152 -12.116 354 HG2 LYS 48 HG2 LYS 48 -4.089 1.669 -10.397 355 HG3 LYS 48 HG3 LYS 48 -3.207 0.699 -9.216 356 HD2 LYS 48 HD2 LYS 48 -1.312 2.263 -9.376 357 HD3 LYS 48 HD3 LYS 48 -2.234 3.243 -10.519 358 HE2 LYS 48 HE2 LYS 48 -3.893 3.723 -8.840 359 HE3 LYS 48 HE3 LYS 48 -3.112 2.628 -7.701 360 HZ1 LYS 48 HZ1 LYS 48 -1.244 4.061 -7.553 361 HZ2 LYS 48 HZ2 LYS 48 -2.613 5.038 -7.361 362 HZ3 LYS 48 HZ3 LYS 48 -1.779 5.028 -8.834 363 H LEU 49 H LEU 49 -4.661 -1.199 -9.573 364 HA LEU 49 HA LEU 49 -3.012 -2.101 -7.483 365 HG LEU 49 HG LEU 49 -6.199 -0.962 -5.978 366 HB2 LEU 49 HB2 LEU 49 -5.938 -2.123 -8.041 367 HB3 LEU 49 HB3 LEU 49 -5.349 -3.167 -6.765 368 HD11 LEU 49 HD11 LEU 49 -4.338 -0.518 -4.466 369 HD12 LEU 49 HD12 LEU 49 -3.280 -1.501 -5.478 370 HD13 LEU 49 HD13 LEU 49 -4.639 -2.248 -4.635 371 HD21 LEU 49 HD21 LEU 49 -3.767 0.109 -7.402 372 HD22 LEU 49 HD22 LEU 49 -4.792 1.017 -6.292 373 HD23 LEU 49 HD23 LEU 49 -5.450 0.434 -7.822 374 H LYS 50 H LYS 50 -4.860 -3.820 -9.948 375 HA LYS 50 HA LYS 50 -4.603 -6.429 -9.089 376 HB2 LYS 50 HB2 LYS 50 -4.666 -5.209 -11.840 377 HB3 LYS 50 HB3 LYS 50 -4.752 -6.940 -11.572 378 HG2 LYS 50 HG2 LYS 50 -6.864 -6.850 -10.743 379 HG3 LYS 50 HG3 LYS 50 -6.648 -5.225 -10.087 380 HD2 LYS 50 HD2 LYS 50 -6.960 -4.218 -12.172 381 HD3 LYS 50 HD3 LYS 50 -6.703 -5.729 -13.035 382 HE2 LYS 50 HE2 LYS 50 -9.054 -5.090 -11.257 383 HE3 LYS 50 HE3 LYS 50 -9.070 -5.059 -13.019 384 HZ1 LYS 50 HZ1 LYS 50 -8.551 -7.429 -13.019 385 HZ2 LYS 50 HZ2 LYS 50 -9.992 -7.120 -12.176 386 HZ3 LYS 50 HZ3 LYS 50 -8.567 -7.448 -11.322 387 H GLU 51 H GLU 51 -2.381 -4.626 -11.213 388 HA GLU 51 HA GLU 51 -0.537 -6.775 -11.466 389 HB2 GLU 51 HB2 GLU 51 -0.089 -3.821 -11.902 390 HB3 GLU 51 HB3 GLU 51 0.967 -5.113 -12.458 391 HG2 GLU 51 HG2 GLU 51 -0.942 -5.977 -13.808 392 HG3 GLU 51 HG3 GLU 51 -1.835 -4.523 -13.363 393 H LEU 52 H LEU 52 -0.683 -3.927 -9.399 394 HA LEU 52 HA LEU 52 1.888 -4.149 -8.291 395 HG LEU 52 HG LEU 52 0.284 -1.768 -9.235 396 HB2 LEU 52 HB2 LEU 52 -0.622 -2.874 -7.223 397 HB3 LEU 52 HB3 LEU 52 0.941 -2.725 -6.445 398 HD11 LEU 52 HD11 LEU 52 0.495 0.471 -8.281 399 HD12 LEU 52 HD12 LEU 52 0.722 -0.230 -6.679 400 HD13 LEU 52 HD13 LEU 52 -0.815 -0.432 -7.519 401 HD21 LEU 52 HD21 LEU 52 2.780 -1.451 -7.572 402 HD22 LEU 52 HD22 LEU 52 2.480 -0.694 -9.136 403 HD23 LEU 52 HD23 LEU 52 2.612 -2.449 -9.019 404 H ALA 53 H ALA 53 -1.222 -5.474 -7.229 405 HA ALA 53 HA ALA 53 -0.393 -6.458 -4.736 406 HB1 ALA 53 HB1 ALA 53 -2.348 -7.894 -4.826 407 HB2 ALA 53 HB2 ALA 53 -2.494 -7.620 -6.563 408 HB3 ALA 53 HB3 ALA 53 -2.745 -6.287 -5.436 409 H ALA 54 H ALA 54 -0.398 -7.992 -7.931 410 HA ALA 54 HA ALA 54 0.515 -10.519 -7.104 411 HB1 ALA 54 HB1 ALA 54 0.902 -9.175 -9.776 412 HB2 ALA 54 HB2 ALA 54 -0.512 -10.110 -9.289 413 HB3 ALA 54 HB3 ALA 54 1.056 -10.900 -9.446 414 H ALA 55 H ALA 55 2.256 -7.653 -8.241 415 HA ALA 55 HA ALA 55 4.820 -8.876 -8.245 416 HB1 ALA 55 HB1 ALA 55 4.327 -6.926 -9.616 417 HB2 ALA 55 HB2 ALA 55 5.679 -6.602 -8.532 418 HB3 ALA 55 HB3 ALA 55 4.081 -5.953 -8.167 419 H ALA 56 H ALA 56 3.045 -6.946 -5.882 420 HA ALA 56 HA ALA 56 5.107 -6.407 -4.079 421 HB1 ALA 56 HB1 ALA 56 3.364 -6.020 -2.441 422 HB2 ALA 56 HB2 ALA 56 2.200 -6.887 -3.443 423 HB3 ALA 56 HB3 ALA 56 2.883 -5.361 -4.004 424 H SER 57 H SER 57 2.882 -9.173 -4.209 425 HA SER 57 HA SER 57 4.179 -10.384 -1.925 426 HG SER 57 HG SER 57 2.970 -12.249 -1.137 427 HB2 SER 57 HB2 SER 57 1.735 -10.534 -2.151 428 HB3 SER 57 HB3 SER 57 1.933 -11.435 -3.655 429 H SER 58 H SER 58 3.971 -10.856 -5.376 430 HA SER 58 HA SER 58 5.219 -12.036 -6.862 431 HG SER 58 HG SER 58 6.448 -10.215 -5.494 432 HB2 SER 58 HB2 SER 58 7.123 -12.495 -4.553 433 HB3 SER 58 HB3 SER 58 7.489 -12.670 -6.270 434 H ALA 59 H ALA 59 3.509 -13.361 -4.520 435 HA ALA 59 HA ALA 59 4.457 -16.104 -4.710 436 HB1 ALA 59 HB1 ALA 59 2.741 -16.603 -3.063 437 HB2 ALA 59 HB2 ALA 59 2.089 -14.972 -3.220 438 HB3 ALA 59 HB3 ALA 59 3.701 -15.218 -2.546 439 H ASP 60 H ASP 60 3.608 -14.994 -7.138 440 HA ASP 60 HA ASP 60 2.389 -15.454 -8.975 441 HB2 ASP 60 HB2 ASP 60 1.528 -17.825 -7.327 442 HB3 ASP 60 HB3 ASP 60 0.968 -17.564 -8.976 443 H GLU 61 H GLU 61 0.035 -16.514 -6.527 444 HA GLU 61 HA GLU 61 -2.116 -15.153 -7.759 445 HB2 GLU 61 HB2 GLU 61 -1.863 -16.125 -4.905 446 HB3 GLU 61 HB3 GLU 61 -3.365 -15.692 -5.712 447 HG2 GLU 61 HG2 GLU 61 -1.534 -17.967 -6.434 448 HG3 GLU 61 HG3 GLU 61 -3.100 -18.092 -5.634 449 H GLY 62 H GLY 62 0.050 -14.343 -5.103 450 HA2 GLY 62 HA2 GLY 62 0.720 -12.188 -4.493 451 HA3 GLY 62 HA3 GLY 62 -0.582 -11.532 -5.473 452 H ALA 63 H ALA 63 -2.620 -11.278 -4.593 453 HA ALA 63 HA ALA 63 -2.992 -11.916 -1.776 454 HB1 ALA 63 HB1 ALA 63 -3.553 -9.616 -1.185 455 HB2 ALA 63 HB2 ALA 63 -3.140 -9.086 -2.816 456 HB3 ALA 63 HB3 ALA 63 -1.888 -9.731 -1.754 457 H SER 64 H SER 64 -5.127 -12.081 -1.183 458 HA SER 64 HA SER 64 -7.106 -12.230 -3.236 459 HG SER 64 HG SER 64 -6.825 -14.239 -2.124 460 HB2 SER 64 HB2 SER 64 -7.432 -12.250 -0.221 461 HB3 SER 64 HB3 SER 64 -8.651 -12.741 -1.399 462 H VAL 65 H VAL 65 -8.336 -10.604 -4.001 463 HA VAL 65 HA VAL 65 -8.104 -8.038 -2.604 464 HB VAL 65 HB VAL 65 -7.235 -7.908 -4.831 465 HG11 VAL 65 HG11 VAL 65 -9.895 -8.953 -5.790 466 HG12 VAL 65 HG12 VAL 65 -8.354 -9.810 -5.838 467 HG13 VAL 65 HG13 VAL 65 -8.589 -8.364 -6.820 468 HG21 VAL 65 HG21 VAL 65 -8.477 -5.966 -4.028 469 HG22 VAL 65 HG22 VAL 65 -9.956 -6.609 -4.741 470 HG23 VAL 65 HG23 VAL 65 -8.612 -6.134 -5.778 471 H ALA 66 H ALA 66 -9.737 -7.496 -1.406 472 HA ALA 66 HA ALA 66 -12.459 -8.049 -2.376 473 HB1 ALA 66 HB1 ALA 66 -11.974 -9.043 -0.182 474 HB2 ALA 66 HB2 ALA 66 -13.213 -7.792 -0.073 475 HB3 ALA 66 HB3 ALA 66 -11.562 -7.446 0.443 476 H TYR 67 H TYR 67 -12.864 -6.295 -3.634 477 HA TYR 67 HA TYR 67 -12.265 -3.663 -2.467 478 HD1 TYR 67 HD1 TYR 67 -14.177 -3.280 -6.260 479 HD2 TYR 67 HD2 TYR 67 -11.091 -6.138 -5.617 480 HE1 TYR 67 HE1 TYR 67 -14.948 -4.545 -8.220 481 HE2 TYR 67 HE2 TYR 67 -11.855 -7.414 -7.573 482 HH TYR 67 HH TYR 67 -13.771 -7.717 -8.947 483 HB2 TYR 67 HB2 TYR 67 -12.286 -2.790 -4.791 484 HB3 TYR 67 HB3 TYR 67 -11.030 -3.985 -4.508 485 H LYS 68 H LYS 68 -13.817 -2.289 -2.072 486 HA LYS 68 HA LYS 68 -16.526 -2.954 -2.998 487 HB2 LYS 68 HB2 LYS 68 -15.603 -1.346 -0.618 488 HB3 LYS 68 HB3 LYS 68 -17.281 -1.466 -1.132 489 HG2 LYS 68 HG2 LYS 68 -17.400 -3.738 -0.604 490 HG3 LYS 68 HG3 LYS 68 -15.646 -3.884 -0.497 491 HD2 LYS 68 HD2 LYS 68 -15.669 -2.411 1.478 492 HD3 LYS 68 HD3 LYS 68 -17.427 -2.317 1.368 493 HE2 LYS 68 HE2 LYS 68 -17.615 -4.693 1.767 494 HE3 LYS 68 HE3 LYS 68 -15.858 -4.861 1.769 495 HZ1 LYS 68 HZ1 LYS 68 -17.414 -3.229 3.703 496 HZ2 LYS 68 HZ2 LYS 68 -15.736 -3.490 3.730 497 HZ3 LYS 68 HZ3 LYS 68 -16.804 -4.780 4.014 498 H ILE 69 H ILE 69 -17.604 -1.587 -4.178 499 HA ILE 69 HA ILE 69 -16.595 1.151 -4.547 500 HB ILE 69 HB ILE 69 -17.636 -0.599 -6.789 501 HG12 ILE 69 HG12 ILE 69 -14.816 0.374 -6.274 502 HG13 ILE 69 HG13 ILE 69 -15.376 -1.273 -6.009 503 HG21 ILE 69 HG21 ILE 69 -16.975 1.248 -8.243 504 HG22 ILE 69 HG22 ILE 69 -16.453 2.175 -6.836 505 HG23 ILE 69 HG23 ILE 69 -18.159 1.777 -7.047 506 HD11 ILE 69 HD11 ILE 69 -14.149 -1.086 -8.089 507 HD12 ILE 69 HD12 ILE 69 -15.268 0.153 -8.658 508 HD13 ILE 69 HD13 ILE 69 -15.836 -1.497 -8.395 509 H LYS 70 H LYS 70 -18.161 2.300 -3.570 510 HA LYS 70 HA LYS 70 -20.930 1.391 -3.891 511 HB2 LYS 70 HB2 LYS 70 -20.035 1.820 -1.605 512 HB3 LYS 70 HB3 LYS 70 -19.881 3.517 -2.025 513 HG2 LYS 70 HG2 LYS 70 -21.891 3.242 -0.778 514 HG3 LYS 70 HG3 LYS 70 -22.342 3.546 -2.457 515 HD2 LYS 70 HD2 LYS 70 -22.791 1.214 -2.821 516 HD3 LYS 70 HD3 LYS 70 -22.141 0.793 -1.237 517 HE2 LYS 70 HE2 LYS 70 -24.529 0.744 -1.094 518 HE3 LYS 70 HE3 LYS 70 -23.958 2.154 -0.205 519 HZ1 LYS 70 HZ1 LYS 70 -24.490 3.515 -2.170 520 HZ2 LYS 70 HZ2 LYS 70 -25.853 2.749 -1.520 521 HZ3 LYS 70 HZ3 LYS 70 -25.140 2.144 -2.931 522 H ASP 71 H ASP 71 -22.065 2.259 -5.397 523 HA ASP 71 HA ASP 71 -21.352 4.658 -6.751 524 HB2 ASP 71 HB2 ASP 71 -23.868 2.978 -6.853 525 HB3 ASP 71 HB3 ASP 71 -23.554 4.351 -7.900 526 H LEU 72 H LEU 72 -21.445 6.478 -5.585 527 HA LEU 72 HA LEU 72 -23.688 6.925 -3.760 528 HG LEU 72 HG LEU 72 -20.723 6.290 -3.218 529 HB2 LEU 72 HB2 LEU 72 -21.196 8.585 -4.187 530 HB3 LEU 72 HB3 LEU 72 -22.373 8.792 -2.905 531 HD11 LEU 72 HD11 LEU 72 -19.306 7.185 -1.422 532 HD12 LEU 72 HD12 LEU 72 -20.163 8.722 -1.531 533 HD13 LEU 72 HD13 LEU 72 -19.206 8.148 -2.895 534 HD21 LEU 72 HD21 LEU 72 -22.741 6.017 -1.907 535 HD22 LEU 72 HD22 LEU 72 -22.325 7.426 -0.931 536 HD23 LEU 72 HD23 LEU 72 -21.326 5.974 -0.855 537 H GLU 73 H GLU 73 -23.975 9.608 -3.776 538 HA GLU 73 HA GLU 73 -25.151 10.050 -6.406 539 HB2 GLU 73 HB2 GLU 73 -26.503 10.336 -4.316 540 HB3 GLU 73 HB3 GLU 73 -25.473 11.697 -3.896 541 HG2 GLU 73 HG2 GLU 73 -26.158 12.804 -6.000 542 HG3 GLU 73 HG3 GLU 73 -27.277 11.473 -6.286 543 H GLY 74 H GLY 74 -23.566 10.745 -7.738 544 HA2 GLY 74 HA2 GLY 74 -22.575 12.660 -8.725 545 HA3 GLY 74 HA3 GLY 74 -22.468 13.392 -7.133 546 H GLN 75 H GLN 75 -21.440 10.364 -6.626 547 HA GLN 75 HA GLN 75 -18.831 10.358 -7.742 548 HB2 GLN 75 HB2 GLN 75 -17.581 10.691 -5.609 549 HB3 GLN 75 HB3 GLN 75 -18.367 12.148 -6.196 550 HG2 GLN 75 HG2 GLN 75 -20.135 11.903 -4.574 551 HG3 GLN 75 HG3 GLN 75 -19.466 10.362 -4.037 552 HE21 GLN 75 HE21 GLN 75 -19.286 11.157 -1.912 553 HE22 GLN 75 HE22 GLN 75 -18.021 12.257 -1.471 554 H VAL 76 H VAL 76 -17.424 8.716 -6.337 555 HA VAL 76 HA VAL 76 -19.151 6.690 -5.098 556 HB VAL 76 HB VAL 76 -17.969 4.864 -6.244 557 HG11 VAL 76 HG11 VAL 76 -19.286 6.820 -8.121 558 HG12 VAL 76 HG12 VAL 76 -20.090 5.577 -7.162 559 HG13 VAL 76 HG13 VAL 76 -18.997 5.117 -8.470 560 HG21 VAL 76 HG21 VAL 76 -16.581 5.328 -8.210 561 HG22 VAL 76 HG22 VAL 76 -15.884 5.996 -6.734 562 HG23 VAL 76 HG23 VAL 76 -16.706 7.056 -7.879 563 H GLU 77 H GLU 77 -17.908 5.111 -3.822 564 HA GLU 77 HA GLU 77 -15.304 6.185 -2.972 565 HB2 GLU 77 HB2 GLU 77 -16.951 6.268 -1.164 566 HB3 GLU 77 HB3 GLU 77 -17.278 4.551 -1.367 567 HG2 GLU 77 HG2 GLU 77 -14.984 4.029 -0.708 568 HG3 GLU 77 HG3 GLU 77 -14.645 5.748 -0.514 569 H LEU 78 H LEU 78 -13.610 5.018 -3.489 570 HA LEU 78 HA LEU 78 -13.959 2.184 -4.171 571 HG LEU 78 HG LEU 78 -11.110 2.398 -6.577 572 HB2 LEU 78 HB2 LEU 78 -12.894 3.704 -5.840 573 HB3 LEU 78 HB3 LEU 78 -11.621 4.039 -4.687 574 HD11 LEU 78 HD11 LEU 78 -10.640 1.520 -3.734 575 HD12 LEU 78 HD12 LEU 78 -9.647 2.648 -4.658 576 HD13 LEU 78 HD13 LEU 78 -9.748 0.957 -5.147 577 HD21 LEU 78 HD21 LEU 78 -11.764 0.075 -6.192 578 HD22 LEU 78 HD22 LEU 78 -13.167 1.108 -6.474 579 HD23 LEU 78 HD23 LEU 78 -12.770 0.584 -4.837 580 H ASP 79 H ASP 79 -13.526 0.799 -2.622 581 HA ASP 79 HA ASP 79 -11.345 1.401 -0.737 582 HB2 ASP 79 HB2 ASP 79 -13.436 1.747 0.450 583 HB3 ASP 79 HB3 ASP 79 -14.031 0.177 -0.077 584 H ALA 80 H ALA 80 -9.795 0.011 -1.152 585 HA ALA 80 HA ALA 80 -10.536 -2.708 -2.002 586 HB1 ALA 80 HB1 ALA 80 -7.996 -1.182 -2.551 587 HB2 ALA 80 HB2 ALA 80 -9.315 -1.446 -3.692 588 HB3 ALA 80 HB3 ALA 80 -8.367 -2.814 -3.110 589 H ALA 81 H ALA 81 -10.151 -4.285 -0.623 590 HA ALA 81 HA ALA 81 -7.992 -3.949 1.353 591 HB1 ALA 81 HB1 ALA 81 -10.193 -4.018 2.405 592 HB2 ALA 81 HB2 ALA 81 -9.246 -5.446 2.826 593 HB3 ALA 81 HB3 ALA 81 -10.528 -5.561 1.620 594 H PHE 82 H PHE 82 -6.287 -5.057 0.661 595 HA PHE 82 HA PHE 82 -6.671 -7.608 -0.751 596 HD1 PHE 82 HD1 PHE 82 -5.782 -4.034 -1.381 597 HD2 PHE 82 HD2 PHE 82 -4.718 -7.571 -3.489 598 HE1 PHE 82 HE1 PHE 82 -6.389 -2.946 -3.498 599 HE2 PHE 82 HE2 PHE 82 -5.325 -6.489 -5.614 600 HZ PHE 82 HZ PHE 82 -6.159 -4.173 -5.619 601 HB2 PHE 82 HB2 PHE 82 -4.241 -5.828 -0.433 602 HB3 PHE 82 HB3 PHE 82 -4.211 -7.391 -1.238 603 H THR 83 H THR 83 -6.221 -9.504 0.195 604 HA THR 83 HA THR 83 -4.990 -9.489 2.853 605 HB THR 83 HB THR 83 -6.262 -11.807 1.376 606 HG1 THR 83 HG1 THR 83 -7.534 -9.776 2.223 607 HG21 THR 83 HG21 THR 83 -4.679 -12.479 3.128 608 HG22 THR 83 HG22 THR 83 -6.339 -12.870 3.577 609 HG23 THR 83 HG23 THR 83 -5.538 -11.471 4.291 610 H PHE 84 H PHE 84 -2.821 -9.463 2.711 611 HA PHE 84 HA PHE 84 -1.466 -11.044 0.662 612 HD1 PHE 84 HD2 PHE 84 0.861 -9.786 -0.655 613 HD2 PHE 84 HD1 PHE 84 -1.767 -7.222 1.496 614 HE1 PHE 84 HE2 PHE 84 0.762 -8.274 -2.591 615 HE2 PHE 84 HE1 PHE 84 -1.870 -5.707 -0.437 616 HZ PHE 84 HZ PHE 84 -0.603 -6.229 -2.482 617 HB2 PHE 84 HB2 PHE 84 -0.541 -8.954 2.622 618 HB3 PHE 84 HB3 PHE 84 0.608 -9.969 1.756 619 H SER 85 H SER 85 0.804 -11.897 1.726 620 HA SER 85 HA SER 85 -0.148 -13.907 3.649 621 HG SER 85 HG SER 85 2.349 -12.959 1.390 622 HB2 SER 85 HB2 SER 85 1.707 -15.301 2.839 623 HB3 SER 85 HB3 SER 85 0.677 -14.780 1.508 624 H CYS 86 H CYS 86 2.274 -11.460 3.111 625 HA CYS 86 HA CYS 86 3.374 -12.004 5.796 626 HG CYS 86 HG CYS 86 4.138 -13.318 2.666 627 HB2 CYS 86 HB2 CYS 86 4.845 -10.667 3.519 628 HB3 CYS 86 HB3 CYS 86 5.520 -11.268 5.031 629 H GLN 87 H GLN 87 3.882 -10.171 7.090 630 HA GLN 87 HA GLN 87 2.058 -8.035 6.890 631 HB2 GLN 87 HB2 GLN 87 3.058 -8.667 9.035 632 HB3 GLN 87 HB3 GLN 87 4.643 -8.162 8.458 633 HG2 GLN 87 HG2 GLN 87 3.898 -6.364 9.754 634 HG3 GLN 87 HG3 GLN 87 3.601 -5.872 8.094 635 HE21 GLN 87 HE21 GLN 87 1.990 -4.446 8.588 636 HE22 GLN 87 HE22 GLN 87 0.422 -4.949 9.105 637 H ALA 88 H ALA 88 5.433 -8.359 5.989 638 HA ALA 88 HA ALA 88 6.052 -5.715 5.444 639 HB1 ALA 88 HB1 ALA 88 7.834 -6.570 4.033 640 HB2 ALA 88 HB2 ALA 88 7.056 -8.152 3.982 641 HB3 ALA 88 HB3 ALA 88 7.697 -7.533 5.505 642 H GLU 89 H GLU 89 4.351 -8.080 3.484 643 HA GLU 89 HA GLU 89 4.469 -6.686 1.030 644 HB2 GLU 89 HB2 GLU 89 2.349 -8.647 1.928 645 HB3 GLU 89 HB3 GLU 89 2.779 -8.243 0.272 646 HG2 GLU 89 HG2 GLU 89 4.967 -9.245 0.571 647 HG3 GLU 89 HG3 GLU 89 4.587 -9.607 2.254 648 H MET 90 H MET 90 2.283 -6.536 3.771 649 HA MET 90 HA MET 90 0.269 -4.960 2.528 650 HB2 MET 90 HB2 MET 90 -0.264 -6.111 4.570 651 HB3 MET 90 HB3 MET 90 1.053 -5.317 5.426 652 HG2 MET 90 HG2 MET 90 -0.144 -3.136 4.973 653 HG3 MET 90 HG3 MET 90 -1.518 -4.109 4.452 654 HE1 MET 90 HE1 MET 90 -2.982 -2.775 6.265 655 HE2 MET 90 HE2 MET 90 -1.560 -1.889 6.815 656 HE3 MET 90 HE3 MET 90 -2.590 -2.717 7.984 657 H ILE 91 H ILE 91 2.953 -4.126 4.687 658 HA ILE 91 HA ILE 91 2.393 -1.361 4.646 659 HB ILE 91 HB ILE 91 4.874 -1.294 5.565 660 HG12 ILE 91 HG12 ILE 91 4.032 -4.167 6.006 661 HG13 ILE 91 HG13 ILE 91 5.382 -3.645 5.018 662 HG21 ILE 91 HG21 ILE 91 3.947 -1.704 7.801 663 HG22 ILE 91 HG22 ILE 91 2.503 -2.398 7.062 664 HG23 ILE 91 HG23 ILE 91 2.890 -0.695 6.813 665 HD11 ILE 91 HD11 ILE 91 6.484 -2.749 7.013 666 HD12 ILE 91 HD12 ILE 91 6.151 -4.476 7.146 667 HD13 ILE 91 HD13 ILE 91 5.130 -3.314 7.994 668 H ILE 92 H ILE 92 4.582 -3.339 2.664 669 HA ILE 92 HA ILE 92 5.760 -1.045 1.427 670 HB ILE 92 HB ILE 92 6.574 -2.587 -0.313 671 HG12 ILE 92 HG12 ILE 92 6.198 -5.128 0.521 672 HG13 ILE 92 HG13 ILE 92 4.641 -4.430 0.948 673 HG21 ILE 92 HG21 ILE 92 8.052 -3.898 1.122 674 HG22 ILE 92 HG22 ILE 92 7.000 -3.569 2.498 675 HG23 ILE 92 HG23 ILE 92 7.864 -2.247 1.713 676 HD11 ILE 92 HD11 ILE 92 4.592 -5.445 -1.256 677 HD12 ILE 92 HD12 ILE 92 5.901 -4.387 -1.782 678 HD13 ILE 92 HD13 ILE 92 4.333 -3.703 -1.356 679 H PHE 93 H PHE 93 2.886 -2.910 0.923 680 HA PHE 93 HA PHE 93 2.392 -2.145 -1.764 681 HD1 PHE 93 HD1 PHE 93 1.348 -3.693 -3.253 682 HD2 PHE 93 HD2 PHE 93 -1.759 -2.854 -0.468 683 HE1 PHE 93 HE1 PHE 93 -0.306 -3.826 -5.067 684 HE2 PHE 93 HE2 PHE 93 -3.419 -2.986 -2.280 685 HZ PHE 93 HZ PHE 93 -2.691 -3.471 -4.583 686 HB2 PHE 93 HB2 PHE 93 1.431 -4.154 -0.602 687 HB3 PHE 93 HB3 PHE 93 0.384 -3.065 0.298 688 H GLU 94 H GLU 94 1.011 -1.053 1.339 689 HA GLU 94 HA GLU 94 -0.696 0.882 0.249 690 HB2 GLU 94 HB2 GLU 94 -0.630 1.926 2.537 691 HB3 GLU 94 HB3 GLU 94 -1.067 0.225 2.502 692 HG2 GLU 94 HG2 GLU 94 0.916 -0.444 3.465 693 HG3 GLU 94 HG3 GLU 94 1.771 1.018 2.979 694 H LEU 95 H LEU 95 2.649 1.133 1.363 695 HA LEU 95 HA LEU 95 2.929 3.906 0.987 696 HG LEU 95 HG LEU 95 3.967 2.021 3.141 697 HB2 LEU 95 HB2 LEU 95 4.960 1.677 0.910 698 HB3 LEU 95 HB3 LEU 95 5.387 3.374 0.843 699 HD11 LEU 95 HD11 LEU 95 6.060 2.351 4.346 700 HD12 LEU 95 HD12 LEU 95 6.802 3.016 2.891 701 HD13 LEU 95 HD13 LEU 95 6.298 1.327 2.930 702 HD21 LEU 95 HD21 LEU 95 4.359 4.134 4.320 703 HD22 LEU 95 HD22 LEU 95 3.320 4.356 2.914 704 HD23 LEU 95 HD23 LEU 95 5.015 4.835 2.840 705 H SER 96 H SER 96 3.691 1.167 -1.141 706 HA SER 96 HA SER 96 4.675 2.610 -3.312 707 HG SER 96 HG SER 96 4.157 -0.333 -5.291 708 HB2 SER 96 HB2 SER 96 4.877 0.152 -3.024 709 HB3 SER 96 HB3 SER 96 3.159 -0.012 -3.380 710 H LEU 97 H LEU 97 1.345 1.685 -2.504 711 HA LEU 97 HA LEU 97 0.092 2.458 -4.876 712 HG LEU 97 HG LEU 97 -0.418 0.349 -2.534 713 HB2 LEU 97 HB2 LEU 97 -0.977 2.663 -2.058 714 HB3 LEU 97 HB3 LEU 97 -1.947 2.755 -3.513 715 HD11 LEU 97 HD11 LEU 97 -3.373 0.899 -2.756 716 HD12 LEU 97 HD12 LEU 97 -2.438 0.819 -1.264 717 HD13 LEU 97 HD13 LEU 97 -2.641 -0.626 -2.254 718 HD21 LEU 97 HD21 LEU 97 -1.437 -0.832 -4.411 719 HD22 LEU 97 HD22 LEU 97 -0.392 0.473 -4.973 720 HD23 LEU 97 HD23 LEU 97 -2.145 0.678 -4.987 721 H ARG 98 H ARG 98 0.782 4.352 -1.977 722 HA ARG 98 HA ARG 98 -0.492 6.696 -3.019 723 HE ARG 98 HE ARG 98 -2.442 7.783 0.951 724 HB2 ARG 98 HB2 ARG 98 1.280 6.391 -0.603 725 HB3 ARG 98 HB3 ARG 98 0.231 7.760 -0.963 726 HG2 ARG 98 HG2 ARG 98 -1.715 6.276 -0.876 727 HG3 ARG 98 HG3 ARG 98 -0.656 4.930 -0.464 728 HD2 ARG 98 HD2 ARG 98 -1.486 5.619 1.567 729 HD3 ARG 98 HD3 ARG 98 0.096 6.382 1.506 730 HH11 ARG 98 HH11 ARG 98 0.812 7.736 2.263 731 HH12 ARG 98 HH12 ARG 98 0.716 9.366 2.871 732 HH21 ARG 98 HH21 ARG 98 -2.589 9.881 1.800 733 HH22 ARG 98 HH22 ARG 98 -1.225 10.578 2.623 734 H SER 99 H SER 99 2.797 5.505 -2.731 735 HA SER 99 HA SER 99 3.952 8.037 -3.538 736 HG SER 99 HG SER 99 4.396 5.931 -1.193 737 HB2 SER 99 HB2 SER 99 5.327 5.372 -3.125 738 HB3 SER 99 HB3 SER 99 6.097 6.956 -3.211 739 H LEU 100 H LEU 100 2.431 5.675 -5.214 740 HA LEU 100 HA LEU 100 4.183 5.382 -7.445 741 HG LEU 100 HG LEU 100 2.222 4.889 -9.680 742 HB2 LEU 100 HB2 LEU 100 2.257 3.860 -6.839 743 HB3 LEU 100 HB3 LEU 100 1.182 5.099 -7.451 744 HD11 LEU 100 HD11 LEU 100 3.755 2.628 -8.407 745 HD12 LEU 100 HD12 LEU 100 4.429 4.141 -9.013 746 HD13 LEU 100 HD13 LEU 100 3.705 2.988 -10.133 747 HD21 LEU 100 HD21 LEU 100 0.217 3.604 -9.129 748 HD22 LEU 100 HD22 LEU 100 1.225 2.284 -8.536 749 HD23 LEU 100 HD23 LEU 100 1.261 2.723 -10.245 750 H ALA 101 H ALA 101 1.478 7.496 -6.663 751 HA ALA 101 HA ALA 101 1.873 9.065 -9.077 752 HB1 ALA 101 HB1 ALA 101 0.007 10.415 -8.276 753 HB2 ALA 101 HB2 ALA 101 0.013 9.542 -6.743 754 HB3 ALA 101 HB3 ALA 101 -0.406 8.702 -8.237 755 H LEU 102 H LEU 102 2.672 9.092 -5.712 756 HA LEU 102 HA LEU 102 3.921 11.741 -5.965 757 HG LEU 102 HG LEU 102 1.278 10.831 -4.336 758 HB2 LEU 102 HB2 LEU 102 3.468 10.112 -3.463 759 HB3 LEU 102 HB3 LEU 102 4.039 11.766 -3.541 760 HD11 LEU 102 HD11 LEU 102 0.551 12.038 -2.337 761 HD12 LEU 102 HD12 LEU 102 2.232 12.392 -1.940 762 HD13 LEU 102 HD13 LEU 102 1.657 10.724 -1.930 763 HD21 LEU 102 HD21 LEU 102 0.754 13.198 -4.533 764 HD22 LEU 102 HD22 LEU 102 2.056 12.762 -5.640 765 HD23 LEU 102 HD23 LEU 102 2.420 13.617 -4.141 766 H GLU 103 H GLU 103 5.556 10.668 -7.322 767 HA GLU 103 HA GLU 103 7.181 8.596 -6.224 768 HB2 GLU 103 HB2 GLU 103 6.738 8.986 -8.682 769 HB3 GLU 103 HB3 GLU 103 7.839 10.353 -8.589 770 HG2 GLU 103 HG2 GLU 103 9.628 8.832 -7.860 771 HG3 GLU 103 HG3 GLU 103 8.517 7.475 -8.036 772 H HIS 104 H HIS 104 7.395 12.083 -6.462 773 HA HIS 104 HA HIS 104 10.060 12.236 -5.413 774 HD1 HIS 104 HD1 HIS 104 11.635 14.390 -6.287 775 HD2 HIS 104 HD2 HIS 104 8.125 14.525 -8.519 776 HE1 HIS 104 HE1 HIS 104 12.345 14.950 -8.638 777 HE2 HIS 104 HE2 HIS 104 10.186 15.260 -9.897 778 HB2 HIS 104 HB2 HIS 104 7.873 14.258 -5.826 779 HB3 HIS 104 HB3 HIS 104 9.318 14.670 -4.914 780 H HIS 105 H HIS 105 10.452 11.427 -3.462 781 HA HIS 105 HA HIS 105 8.663 12.240 -1.272 782 HD1 HIS 105 HD1 HIS 105 10.926 8.807 0.509 783 HD2 HIS 105 HD2 HIS 105 10.518 8.932 -3.634 784 HE1 HIS 105 HE1 HIS 105 12.687 7.254 -0.399 785 HE2 HIS 105 HE2 HIS 105 12.328 7.225 -2.892 786 HB2 HIS 105 HB2 HIS 105 8.949 10.102 -0.186 787 HB3 HIS 105 HB3 HIS 105 8.356 9.838 -1.817 788 H HIS 106 H HIS 106 11.158 13.354 -2.364 789 HA HIS 106 HA HIS 106 12.594 13.473 0.189 790 HD1 HIS 106 HD1 HIS 106 15.947 14.363 -2.992 791 HD2 HIS 106 HD2 HIS 106 15.171 14.072 1.086 792 HE1 HIS 106 HE1 HIS 106 17.804 15.621 -1.854 793 HE2 HIS 106 HE2 HIS 106 17.202 15.602 0.591 794 HB2 HIS 106 HB2 HIS 106 14.054 12.137 -1.146 795 HB3 HIS 106 HB3 HIS 106 13.832 13.174 -2.552 796 H HIS 107 H HIS 107 11.770 15.404 0.794 797 HA HIS 107 HA HIS 107 11.739 17.657 -1.003 798 HD1 HIS 107 HD1 HIS 107 9.311 19.525 -0.496 799 HD2 HIS 107 HD2 HIS 107 12.205 20.200 2.416 800 HE1 HIS 107 HE1 HIS 107 9.405 22.025 -0.191 801 HE2 HIS 107 HE2 HIS 107 11.252 22.414 1.477 802 HB2 HIS 107 HB2 HIS 107 10.045 17.404 0.797 803 HB3 HIS 107 HB3 HIS 107 11.322 17.585 1.996 804 H HIS 108 H HIS 108 13.656 18.422 -1.610 805 HA HIS 108 HA HIS 108 15.858 18.589 0.284 806 HD1 HIS 108 HD1 HIS 108 16.641 21.508 -2.837 807 HD2 HIS 108 HD2 HIS 108 14.329 18.260 -4.020 808 HE1 HIS 108 HE1 HIS 108 15.498 22.227 -4.951 809 HE2 HIS 108 HE2 HIS 108 13.899 20.353 -5.473 810 HB2 HIS 108 HB2 HIS 108 17.211 19.303 -1.613 811 HB3 HIS 108 HB3 HIS 108 16.299 17.866 -2.052 812 H HIS 109 H HIS 109 17.163 20.762 0.005 813 HA HIS 109 HA HIS 109 15.577 22.880 1.014 814 HD1 HIS 109 HD1 HIS 109 18.673 25.094 -1.145 815 HD2 HIS 109 HD2 HIS 109 16.956 25.266 2.644 816 HE1 HIS 109 HE1 HIS 109 18.649 27.532 -0.515 817 HE2 HIS 109 HE2 HIS 109 17.526 27.627 1.742 818 HB2 HIS 109 HB2 HIS 109 17.907 22.765 1.615 819 HB3 HIS 109 HB3 HIS 109 18.398 22.817 -0.075 Start of MODEL 5 1 HA MET 1 HA MET 1 19.176 -42.167 -2.451 2 H1 MET 1 H1 MET 1 19.954 -44.098 -1.272 3 H2 MET 1 H2 MET 1 20.512 -43.134 0.006 4 H3 MET 1 H3 MET 1 21.231 -43.008 -1.521 5 HB2 MET 1 HB2 MET 1 18.252 -42.329 0.425 6 HB3 MET 1 HB3 MET 1 17.397 -41.458 -0.842 7 HG2 MET 1 HG2 MET 1 17.958 -44.413 -0.813 8 HG3 MET 1 HG3 MET 1 16.415 -43.647 -0.432 9 HE1 MET 1 HE1 MET 1 15.278 -45.285 -2.203 10 HE2 MET 1 HE2 MET 1 16.837 -45.983 -2.640 11 HE3 MET 1 HE3 MET 1 15.754 -45.384 -3.896 12 H ALA 2 H ALA 2 20.259 -40.397 -3.036 13 HA ALA 2 HA ALA 2 21.161 -38.554 -0.911 14 HB1 ALA 2 HB1 ALA 2 22.328 -38.965 -3.659 15 HB2 ALA 2 HB2 ALA 2 22.996 -39.576 -2.146 16 HB3 ALA 2 HB3 ALA 2 22.920 -37.839 -2.436 17 H MET 3 H MET 3 18.613 -38.774 -2.776 18 HA MET 3 HA MET 3 18.686 -36.170 -4.037 19 HB2 MET 3 HB2 MET 3 17.382 -38.055 -5.007 20 HB3 MET 3 HB3 MET 3 16.322 -38.003 -3.605 21 HG2 MET 3 HG2 MET 3 15.284 -36.867 -5.450 22 HG3 MET 3 HG3 MET 3 15.692 -35.702 -4.190 23 HE1 MET 3 HE1 MET 3 15.427 -33.645 -5.860 24 HE2 MET 3 HE2 MET 3 14.922 -34.792 -7.100 25 HE3 MET 3 HE3 MET 3 16.170 -33.598 -7.459 26 H LYS 4 H LYS 4 19.279 -35.058 -2.075 27 HA LYS 4 HA LYS 4 16.936 -34.109 -0.629 28 HB2 LYS 4 HB2 LYS 4 19.332 -35.383 0.678 29 HB3 LYS 4 HB3 LYS 4 18.355 -34.200 1.530 30 HG2 LYS 4 HG2 LYS 4 16.406 -35.614 1.335 31 HG3 LYS 4 HG3 LYS 4 17.318 -36.779 0.375 32 HD2 LYS 4 HD2 LYS 4 17.084 -37.473 2.726 33 HD3 LYS 4 HD3 LYS 4 18.769 -37.247 2.259 34 HE2 LYS 4 HE2 LYS 4 18.413 -36.305 4.447 35 HE3 LYS 4 HE3 LYS 4 18.718 -35.004 3.299 36 HZ1 LYS 4 HZ1 LYS 4 16.034 -35.834 4.273 37 HZ2 LYS 4 HZ2 LYS 4 16.353 -34.549 3.214 38 HZ3 LYS 4 HZ3 LYS 4 16.901 -34.488 4.821 39 H ASP 5 H ASP 5 17.859 -32.564 -2.439 40 HA ASP 5 HA ASP 5 19.292 -30.500 -0.956 41 HB2 ASP 5 HB2 ASP 5 20.811 -29.990 -2.764 42 HB3 ASP 5 HB3 ASP 5 20.996 -31.689 -2.349 43 H VAL 6 H VAL 6 18.737 -28.428 -1.514 44 HA VAL 6 HA VAL 6 16.771 -28.063 -3.664 45 HB VAL 6 HB VAL 6 15.501 -26.511 -2.138 46 HG11 VAL 6 HG11 VAL 6 14.593 -28.660 -2.763 47 HG12 VAL 6 HG12 VAL 6 14.214 -28.325 -1.073 48 HG13 VAL 6 HG13 VAL 6 15.510 -29.448 -1.480 49 HG21 VAL 6 HG21 VAL 6 17.170 -26.268 -0.379 50 HG22 VAL 6 HG22 VAL 6 17.025 -27.983 0.006 51 HG23 VAL 6 HG23 VAL 6 15.659 -26.900 0.276 52 H VAL 7 H VAL 7 19.344 -27.414 -3.948 53 HA VAL 7 HA VAL 7 19.779 -24.681 -3.087 54 HB VAL 7 HB VAL 7 21.681 -26.087 -2.828 55 HG11 VAL 7 HG11 VAL 7 22.771 -27.225 -4.726 56 HG12 VAL 7 HG12 VAL 7 21.409 -26.768 -5.750 57 HG13 VAL 7 HG13 VAL 7 21.160 -27.852 -4.382 58 HG21 VAL 7 HG21 VAL 7 22.185 -23.818 -3.517 59 HG22 VAL 7 HG22 VAL 7 22.085 -24.286 -5.214 60 HG23 VAL 7 HG23 VAL 7 23.369 -24.937 -4.197 61 H ASP 8 H ASP 8 18.577 -23.294 -4.230 62 HA ASP 8 HA ASP 8 19.524 -22.690 -6.861 63 HB2 ASP 8 HB2 ASP 8 17.435 -22.746 -8.057 64 HB3 ASP 8 HB3 ASP 8 17.707 -24.332 -7.358 65 H LYS 9 H LYS 9 20.062 -20.672 -6.541 66 HA LYS 9 HA LYS 9 18.102 -18.685 -5.981 67 HB2 LYS 9 HB2 LYS 9 18.527 -19.580 -3.688 68 HB3 LYS 9 HB3 LYS 9 20.212 -19.106 -3.854 69 HG2 LYS 9 HG2 LYS 9 19.537 -16.768 -4.056 70 HG3 LYS 9 HG3 LYS 9 17.844 -17.245 -3.901 71 HD2 LYS 9 HD2 LYS 9 18.307 -18.156 -1.676 72 HD3 LYS 9 HD3 LYS 9 19.998 -17.676 -1.831 73 HE2 LYS 9 HE2 LYS 9 19.304 -15.332 -2.006 74 HE3 LYS 9 HE3 LYS 9 17.620 -15.823 -1.830 75 HZ1 LYS 9 HZ1 LYS 9 19.740 -16.276 0.200 76 HZ2 LYS 9 HZ2 LYS 9 18.095 -16.647 0.369 77 HZ3 LYS 9 HZ3 LYS 9 18.594 -15.029 0.255 78 H CYS 10 H CYS 10 18.950 -17.991 -7.968 79 HA CYS 10 HA CYS 10 21.693 -16.940 -7.897 80 HG CYS 10 HG CYS 10 23.012 -17.256 -11.083 81 HB2 CYS 10 HB2 CYS 10 21.148 -18.438 -9.780 82 HB3 CYS 10 HB3 CYS 10 19.837 -17.362 -10.253 83 H SER 11 H SER 11 18.362 -16.071 -8.697 84 HA SER 11 HA SER 11 19.021 -13.260 -8.887 85 HG SER 11 HG SER 11 16.784 -14.019 -11.303 86 HB2 SER 11 HB2 SER 11 16.299 -14.588 -8.894 87 HB3 SER 11 HB3 SER 11 16.684 -12.958 -9.450 88 H THR 12 H THR 12 19.603 -12.441 -6.958 89 HA THR 12 HA THR 12 17.738 -12.808 -4.710 90 HB THR 12 HB THR 12 19.896 -13.898 -4.283 91 HG1 THR 12 HG1 THR 12 19.340 -11.547 -2.780 92 HG21 THR 12 HG21 THR 12 21.944 -12.555 -4.032 93 HG22 THR 12 HG22 THR 12 21.077 -11.137 -4.622 94 HG23 THR 12 HG23 THR 12 21.338 -12.516 -5.688 95 H LYS 13 H LYS 13 18.418 -10.692 -6.980 96 HA LYS 13 HA LYS 13 17.931 -8.401 -5.247 97 HB2 LYS 13 HB2 LYS 13 19.553 -7.024 -6.548 98 HB3 LYS 13 HB3 LYS 13 20.305 -8.267 -5.560 99 HG2 LYS 13 HG2 LYS 13 20.698 -9.642 -7.482 100 HG3 LYS 13 HG3 LYS 13 19.777 -8.543 -8.510 101 HD2 LYS 13 HD2 LYS 13 22.176 -8.211 -8.796 102 HD3 LYS 13 HD3 LYS 13 21.418 -6.779 -8.099 103 HE2 LYS 13 HE2 LYS 13 22.150 -7.526 -5.860 104 HE3 LYS 13 HE3 LYS 13 22.971 -8.892 -6.609 105 HZ1 LYS 13 HZ1 LYS 13 24.379 -7.358 -7.816 106 HZ2 LYS 13 HZ2 LYS 13 24.489 -7.070 -6.147 107 HZ3 LYS 13 HZ3 LYS 13 23.574 -6.032 -7.125 108 H GLY 14 H GLY 14 16.319 -7.211 -5.967 109 HA2 GLY 14 HA2 GLY 14 15.881 -6.768 -8.781 110 HA3 GLY 14 HA3 GLY 14 14.662 -7.791 -8.037 111 H CYS 15 H CYS 15 14.632 -6.528 -5.488 112 HA CYS 15 HA CYS 15 12.957 -4.273 -6.168 113 HG CYS 15 HG CYS 15 12.538 -3.369 -2.355 114 HB2 CYS 15 HB2 CYS 15 12.253 -5.919 -4.457 115 HB3 CYS 15 HB3 CYS 15 13.622 -5.445 -3.456 116 H ALA 16 H ALA 16 14.567 -2.850 -6.975 117 HA ALA 16 HA ALA 16 16.657 -1.930 -5.195 118 HB1 ALA 16 HB1 ALA 16 17.064 -2.132 -7.608 119 HB2 ALA 16 HB2 ALA 16 17.314 -0.481 -7.035 120 HB3 ALA 16 HB3 ALA 16 15.840 -0.898 -7.909 121 H ILE 17 H ILE 17 13.416 -1.165 -5.792 122 HA ILE 17 HA ILE 17 13.586 1.636 -5.194 123 HB ILE 17 HB ILE 17 11.810 0.946 -6.641 124 HG12 ILE 17 HG12 ILE 17 10.650 1.667 -3.940 125 HG13 ILE 17 HG13 ILE 17 11.327 2.807 -5.097 126 HG21 ILE 17 HG21 ILE 17 11.594 -1.371 -5.899 127 HG22 ILE 17 HG22 ILE 17 10.025 -0.569 -5.959 128 HG23 ILE 17 HG23 ILE 17 10.826 -0.823 -4.409 129 HD11 ILE 17 HD11 ILE 17 8.897 1.087 -5.534 130 HD12 ILE 17 HD12 ILE 17 9.577 2.231 -6.692 131 HD13 ILE 17 HD13 ILE 17 8.905 2.813 -5.169 132 H ASP 18 H ASP 18 13.640 2.535 -3.278 133 HA ASP 18 HA ASP 18 12.289 1.321 -1.004 134 HB2 ASP 18 HB2 ASP 18 14.574 0.473 -0.779 135 HB3 ASP 18 HB3 ASP 18 15.217 2.102 -0.953 136 H ILE 19 H ILE 19 11.240 2.849 0.120 137 HA ILE 19 HA ILE 19 11.526 5.577 -0.894 138 HB ILE 19 HB ILE 19 9.294 4.411 0.775 139 HG12 ILE 19 HG12 ILE 19 9.339 3.207 -1.307 140 HG13 ILE 19 HG13 ILE 19 8.037 4.384 -1.397 141 HG21 ILE 19 HG21 ILE 19 9.419 6.825 0.926 142 HG22 ILE 19 HG22 ILE 19 8.019 6.354 -0.037 143 HG23 ILE 19 HG23 ILE 19 9.472 6.957 -0.832 144 HD11 ILE 19 HD11 ILE 19 10.761 4.689 -2.634 145 HD12 ILE 19 HD12 ILE 19 9.446 5.862 -2.727 146 HD13 ILE 19 HD13 ILE 19 9.272 4.278 -3.484 147 H GLY 20 H GLY 20 11.439 3.784 2.162 148 HA2 GLY 20 HA2 GLY 20 12.375 4.389 4.203 149 HA3 GLY 20 HA3 GLY 20 12.871 5.919 3.492 150 H THR 21 H THR 21 10.360 4.215 5.178 151 HA THR 21 HA THR 21 9.197 6.722 6.050 152 HB THR 21 HB THR 21 7.453 4.694 4.622 153 HG1 THR 21 HG1 THR 21 8.936 6.717 3.649 154 HG21 THR 21 HG21 THR 21 6.819 7.404 5.805 155 HG22 THR 21 HG22 THR 21 6.292 5.843 6.432 156 HG23 THR 21 HG23 THR 21 5.701 6.409 4.871 157 H VAL 22 H VAL 22 8.526 6.541 8.109 158 HA VAL 22 HA VAL 22 8.784 3.961 9.402 159 HB VAL 22 HB VAL 22 8.096 6.652 10.593 160 HG11 VAL 22 HG11 VAL 22 8.690 5.637 12.735 161 HG12 VAL 22 HG12 VAL 22 8.985 4.096 11.931 162 HG13 VAL 22 HG13 VAL 22 7.355 4.767 11.977 163 HG21 VAL 22 HG21 VAL 22 10.306 6.683 9.579 164 HG22 VAL 22 HG22 VAL 22 10.740 5.202 10.434 165 HG23 VAL 22 HG23 VAL 22 10.442 6.688 11.337 166 H ILE 23 H ILE 23 7.136 2.617 9.503 167 HA ILE 23 HA ILE 23 4.458 3.469 8.945 168 HB ILE 23 HB ILE 23 3.868 1.105 9.244 169 HG12 ILE 23 HG12 ILE 23 6.801 0.686 9.844 170 HG13 ILE 23 HG13 ILE 23 5.521 0.631 11.051 171 HG21 ILE 23 HG21 ILE 23 5.147 0.238 7.352 172 HG22 ILE 23 HG22 ILE 23 6.309 1.551 7.537 173 HG23 ILE 23 HG23 ILE 23 4.642 1.906 7.082 174 HD11 ILE 23 HD11 ILE 23 4.523 -1.273 9.905 175 HD12 ILE 23 HD12 ILE 23 6.195 -1.597 10.367 176 HD13 ILE 23 HD13 ILE 23 5.801 -1.213 8.691 177 H ASP 24 H ASP 24 2.633 3.139 10.301 178 HA ASP 24 HA ASP 24 3.100 3.649 13.102 179 HB2 ASP 24 HB2 ASP 24 1.262 4.740 11.858 180 HB3 ASP 24 HB3 ASP 24 0.515 3.170 11.595 181 H ASN 25 H ASN 25 3.032 0.963 11.207 182 HA ASN 25 HA ASN 25 3.046 -1.262 11.553 183 HB2 ASN 25 HB2 ASN 25 4.315 -0.665 13.646 184 HB3 ASN 25 HB3 ASN 25 2.782 -0.722 14.512 185 HD21 ASN 25 HD21 ASN 25 3.752 -2.833 11.876 186 HD22 ASN 25 HD22 ASN 25 3.797 -4.280 12.811 187 H ASP 26 H ASP 26 1.127 -1.436 10.489 188 HA ASP 26 HA ASP 26 -1.352 -1.411 12.026 189 HB2 ASP 26 HB2 ASP 26 -0.940 -1.679 9.035 190 HB3 ASP 26 HB3 ASP 26 -2.464 -1.371 9.861 191 H ASN 27 H ASN 27 -2.601 -3.169 9.995 192 HA ASN 27 HA ASN 27 -1.827 -5.720 11.208 193 HB2 ASN 27 HB2 ASN 27 -4.261 -4.934 9.585 194 HB3 ASN 27 HB3 ASN 27 -3.982 -6.536 10.264 195 HD21 ASN 27 HD21 ASN 27 -4.796 -3.235 10.935 196 HD22 ASN 27 HD22 ASN 27 -5.319 -3.487 12.568 197 H CYS 28 H CYS 28 -2.703 -7.514 9.274 198 HA CYS 28 HA CYS 28 -0.781 -7.034 7.113 199 HG CYS 28 HG CYS 28 -2.840 -11.076 7.406 200 HB2 CYS 28 HB2 CYS 28 -1.007 -9.466 6.636 201 HB3 CYS 28 HB3 CYS 28 -0.422 -9.130 8.258 202 H THR 29 H THR 29 -4.096 -7.070 7.797 203 HA THR 29 HA THR 29 -4.808 -7.154 4.956 204 HB THR 29 HB THR 29 -6.657 -6.822 7.334 205 HG1 THR 29 HG1 THR 29 -5.234 -8.920 6.812 206 HG21 THR 29 HG21 THR 29 -8.385 -7.577 5.788 207 HG22 THR 29 HG22 THR 29 -7.190 -7.740 4.501 208 HG23 THR 29 HG23 THR 29 -7.578 -6.145 5.149 209 H SER 30 H SER 30 -5.080 -5.300 3.833 210 HA SER 30 HA SER 30 -5.365 -2.805 5.372 211 HG SER 30 HG SER 30 -2.926 -1.042 3.502 212 HB2 SER 30 HB2 SER 30 -3.020 -3.164 4.492 213 HB3 SER 30 HB3 SER 30 -3.693 -3.083 2.865 214 H LYS 31 H LYS 31 -7.192 -1.805 4.852 215 HA LYS 31 HA LYS 31 -8.268 -2.136 2.148 216 HB2 LYS 31 HB2 LYS 31 -9.460 -1.301 4.749 217 HB3 LYS 31 HB3 LYS 31 -10.157 -0.658 3.269 218 HG2 LYS 31 HG2 LYS 31 -11.407 -2.561 3.787 219 HG3 LYS 31 HG3 LYS 31 -10.336 -3.045 2.473 220 HD2 LYS 31 HD2 LYS 31 -10.327 -4.787 4.073 221 HD3 LYS 31 HD3 LYS 31 -8.780 -3.958 4.210 222 HE2 LYS 31 HE2 LYS 31 -9.754 -4.461 6.412 223 HE3 LYS 31 HE3 LYS 31 -9.572 -2.728 6.138 224 HZ1 LYS 31 HZ1 LYS 31 -11.950 -2.662 5.518 225 HZ2 LYS 31 HZ2 LYS 31 -11.695 -3.150 7.121 226 HZ3 LYS 31 HZ3 LYS 31 -12.083 -4.302 5.936 227 H PHE 32 H PHE 32 -8.835 -0.361 0.907 228 HA PHE 32 HA PHE 32 -7.768 2.229 1.792 229 HD1 PHE 32 HD2 PHE 32 -5.373 3.348 1.187 230 HD2 PHE 32 HD1 PHE 32 -7.676 2.961 -2.374 231 HE1 PHE 32 HE2 PHE 32 -4.675 5.603 0.496 232 HE2 PHE 32 HE1 PHE 32 -6.982 5.218 -3.069 233 HZ PHE 32 HZ PHE 32 -5.482 6.539 -1.637 234 HB2 PHE 32 HB2 PHE 32 -6.125 1.113 0.263 235 HB3 PHE 32 HB3 PHE 32 -7.360 1.101 -0.991 236 H SER 33 H SER 33 -9.392 3.596 1.813 237 HA SER 33 HA SER 33 -11.590 3.220 -0.104 238 HG SER 33 HG SER 33 -11.954 2.003 1.996 239 HB2 SER 33 HB2 SER 33 -11.706 4.757 2.500 240 HB3 SER 33 HB3 SER 33 -13.058 4.224 1.501 241 H ARG 34 H ARG 34 -11.453 4.580 -1.755 242 HA ARG 34 HA ARG 34 -10.762 7.380 -1.180 243 HE ARG 34 HE ARG 34 -8.149 9.542 -5.155 244 HB2 ARG 34 HB2 ARG 34 -8.829 6.161 -2.200 245 HB3 ARG 34 HB3 ARG 34 -9.828 5.842 -3.610 246 HG2 ARG 34 HG2 ARG 34 -9.950 8.168 -4.137 247 HG3 ARG 34 HG3 ARG 34 -9.163 8.604 -2.617 248 HD2 ARG 34 HD2 ARG 34 -7.130 7.464 -3.339 249 HD3 ARG 34 HD3 ARG 34 -7.919 7.001 -4.848 250 HH11 ARG 34 HH11 ARG 34 -5.476 7.975 -3.522 251 HH12 ARG 34 HH12 ARG 34 -4.326 9.201 -3.935 252 HH21 ARG 34 HH21 ARG 34 -6.637 11.161 -5.724 253 HH22 ARG 34 HH22 ARG 34 -4.980 11.014 -5.218 254 H PHE 35 H PHE 35 -11.948 8.891 -2.316 255 HA PHE 35 HA PHE 35 -14.375 7.796 -3.509 256 HD1 PHE 35 HD2 PHE 35 -16.690 8.563 -1.931 257 HD2 PHE 35 HD1 PHE 35 -13.049 10.118 -0.371 258 HE1 PHE 35 HE2 PHE 35 -17.397 7.932 0.338 259 HE2 PHE 35 HE1 PHE 35 -13.750 9.493 1.902 260 HZ PHE 35 HZ PHE 35 -15.926 8.398 2.258 261 HB2 PHE 35 HB2 PHE 35 -13.711 10.607 -2.608 262 HB3 PHE 35 HB3 PHE 35 -15.272 10.090 -3.238 263 H PHE 36 H PHE 36 -15.058 8.208 -5.547 264 HA PHE 36 HA PHE 36 -13.333 9.830 -7.284 265 HD1 PHE 36 HD1 PHE 36 -11.227 8.756 -8.795 266 HD2 PHE 36 HD2 PHE 36 -13.086 5.748 -6.431 267 HE1 PHE 36 HE1 PHE 36 -9.014 7.877 -8.182 268 HE2 PHE 36 HE2 PHE 36 -10.874 4.865 -5.812 269 HZ PHE 36 HZ PHE 36 -8.837 5.928 -6.689 270 HB2 PHE 36 HB2 PHE 36 -14.374 7.053 -7.902 271 HB3 PHE 36 HB3 PHE 36 -13.620 8.117 -9.082 272 H ALA 37 H ALA 37 -14.575 9.893 -9.566 273 HA ALA 37 HA ALA 37 -17.019 11.259 -9.014 274 HB1 ALA 37 HB1 ALA 37 -17.117 11.650 -11.416 275 HB2 ALA 37 HB2 ALA 37 -15.823 10.478 -11.674 276 HB3 ALA 37 HB3 ALA 37 -15.496 11.974 -10.799 277 H THR 38 H THR 38 -16.325 8.388 -11.027 278 HA THR 38 HA THR 38 -18.986 7.369 -10.309 279 HB THR 38 HB THR 38 -19.102 6.398 -12.643 280 HG1 THR 38 HG1 THR 38 -17.794 7.973 -14.094 281 HG21 THR 38 HG21 THR 38 -20.471 8.312 -11.962 282 HG22 THR 38 HG22 THR 38 -19.967 8.457 -13.646 283 HG23 THR 38 HG23 THR 38 -19.161 9.410 -12.399 284 H ARG 39 H ARG 39 -19.179 4.984 -10.926 285 HA ARG 39 HA ARG 39 -17.151 3.558 -9.590 286 HE ARG 39 HE ARG 39 -21.393 2.182 -10.340 287 HB2 ARG 39 HB2 ARG 39 -18.453 1.652 -9.929 288 HB3 ARG 39 HB3 ARG 39 -19.630 2.950 -9.956 289 HG2 ARG 39 HG2 ARG 39 -19.708 2.895 -12.369 290 HG3 ARG 39 HG3 ARG 39 -18.451 1.656 -12.403 291 HD2 ARG 39 HD2 ARG 39 -20.646 0.658 -12.703 292 HD3 ARG 39 HD3 ARG 39 -19.927 0.131 -11.182 293 HH11 ARG 39 HH11 ARG 39 -22.222 -0.437 -12.537 294 HH12 ARG 39 HH12 ARG 39 -23.908 -0.407 -12.120 295 HH21 ARG 39 HH21 ARG 39 -23.583 2.208 -9.805 296 HH22 ARG 39 HH22 ARG 39 -24.678 1.090 -10.554 297 H GLU 40 H GLU 40 -17.571 4.455 -12.892 298 HA GLU 40 HA GLU 40 -15.847 2.618 -14.149 299 HB2 GLU 40 HB2 GLU 40 -16.392 5.508 -14.861 300 HB3 GLU 40 HB3 GLU 40 -15.698 4.296 -15.923 301 HG2 GLU 40 HG2 GLU 40 -17.752 3.036 -15.891 302 HG3 GLU 40 HG3 GLU 40 -18.455 4.168 -14.736 303 H GLU 41 H GLU 41 -15.336 5.823 -12.793 304 HA GLU 41 HA GLU 41 -12.582 6.055 -13.252 305 HB2 GLU 41 HB2 GLU 41 -14.174 7.211 -10.953 306 HB3 GLU 41 HB3 GLU 41 -12.637 7.804 -11.555 307 HG2 GLU 41 HG2 GLU 41 -15.263 7.822 -13.014 308 HG3 GLU 41 HG3 GLU 41 -14.429 9.214 -12.327 309 H ALA 42 H ALA 42 -14.411 4.337 -10.883 310 HA ALA 42 HA ALA 42 -12.278 3.947 -9.006 311 HB1 ALA 42 HB1 ALA 42 -13.796 2.402 -7.898 312 HB2 ALA 42 HB2 ALA 42 -14.879 2.446 -9.290 313 HB3 ALA 42 HB3 ALA 42 -14.632 3.897 -8.320 314 H GLU 43 H GLU 43 -13.701 2.055 -11.632 315 HA GLU 43 HA GLU 43 -12.284 -0.334 -11.258 316 HB2 GLU 43 HB2 GLU 43 -13.232 0.910 -13.850 317 HB3 GLU 43 HB3 GLU 43 -12.748 -0.766 -13.644 318 HG2 GLU 43 HG2 GLU 43 -15.007 0.473 -12.106 319 HG3 GLU 43 HG3 GLU 43 -15.223 -0.303 -13.672 320 H SER 44 H SER 44 -11.479 2.594 -13.068 321 HA SER 44 HA SER 44 -9.116 1.689 -14.250 322 HG SER 44 HG SER 44 -10.897 4.678 -15.248 323 HB2 SER 44 HB2 SER 44 -9.783 4.511 -13.393 324 HB3 SER 44 HB3 SER 44 -8.605 4.038 -14.620 325 H PHE 45 H PHE 45 -9.758 2.815 -11.002 326 HA PHE 45 HA PHE 45 -7.019 3.287 -10.329 327 HD1 PHE 45 HD2 PHE 45 -6.632 5.267 -8.736 328 HD2 PHE 45 HD1 PHE 45 -8.373 2.153 -6.418 329 HE1 PHE 45 HE2 PHE 45 -5.089 5.783 -6.894 330 HE2 PHE 45 HE1 PHE 45 -6.833 2.666 -4.567 331 HZ PHE 45 HZ PHE 45 -5.188 4.486 -4.805 332 HB2 PHE 45 HB2 PHE 45 -9.005 4.296 -9.142 333 HB3 PHE 45 HB3 PHE 45 -9.317 2.709 -8.451 334 H MET 46 H MET 46 -9.260 0.602 -10.099 335 HA MET 46 HA MET 46 -7.659 -1.124 -8.542 336 HB2 MET 46 HB2 MET 46 -10.046 -1.499 -8.854 337 HB3 MET 46 HB3 MET 46 -9.806 -1.742 -10.577 338 HG2 MET 46 HG2 MET 46 -10.029 -3.891 -9.790 339 HG3 MET 46 HG3 MET 46 -8.282 -3.694 -9.862 340 HE1 MET 46 HE1 MET 46 -6.708 -3.598 -7.726 341 HE2 MET 46 HE2 MET 46 -7.311 -3.342 -6.089 342 HE3 MET 46 HE3 MET 46 -7.492 -2.074 -7.303 343 H THR 47 H THR 47 -7.695 -0.358 -11.943 344 HA THR 47 HA THR 47 -6.400 -2.579 -13.008 345 HB THR 47 HB THR 47 -6.029 0.269 -13.949 346 HG1 THR 47 HG1 THR 47 -8.259 -1.352 -13.847 347 HG21 THR 47 HG21 THR 47 -6.038 -2.359 -15.444 348 HG22 THR 47 HG22 THR 47 -4.605 -1.406 -15.054 349 HG23 THR 47 HG23 THR 47 -5.823 -0.762 -16.156 350 H LYS 48 H LYS 48 -4.922 0.489 -11.908 351 HA LYS 48 HA LYS 48 -2.280 -0.500 -12.310 352 HB2 LYS 48 HB2 LYS 48 -1.544 1.571 -11.207 353 HB3 LYS 48 HB3 LYS 48 -2.662 1.853 -12.531 354 HG2 LYS 48 HG2 LYS 48 -4.481 2.075 -10.848 355 HG3 LYS 48 HG3 LYS 48 -3.245 1.987 -9.589 356 HD2 LYS 48 HD2 LYS 48 -3.341 4.024 -11.811 357 HD3 LYS 48 HD3 LYS 48 -3.833 4.296 -10.142 358 HE2 LYS 48 HE2 LYS 48 -1.618 4.007 -9.346 359 HE3 LYS 48 HE3 LYS 48 -1.074 3.385 -10.904 360 HZ1 LYS 48 HZ1 LYS 48 -1.967 6.165 -10.348 361 HZ2 LYS 48 HZ2 LYS 48 -1.486 5.570 -11.867 362 HZ3 LYS 48 HZ3 LYS 48 -0.370 5.659 -10.600 363 H LEU 49 H LEU 49 -4.503 -0.466 -9.653 364 HA LEU 49 HA LEU 49 -2.619 -1.029 -7.596 365 HG LEU 49 HG LEU 49 -5.594 0.231 -5.862 366 HB2 LEU 49 HB2 LEU 49 -5.562 -1.018 -7.885 367 HB3 LEU 49 HB3 LEU 49 -4.920 -2.050 -6.623 368 HD11 LEU 49 HD11 LEU 49 -2.683 -0.467 -5.553 369 HD12 LEU 49 HD12 LEU 49 -4.014 -1.137 -4.610 370 HD13 LEU 49 HD13 LEU 49 -3.620 0.578 -4.485 371 HD21 LEU 49 HD21 LEU 49 -4.102 2.104 -6.356 372 HD22 LEU 49 HD22 LEU 49 -4.886 1.502 -7.816 373 HD23 LEU 49 HD23 LEU 49 -3.204 1.090 -7.485 374 H LYS 50 H LYS 50 -4.321 -2.992 -9.937 375 HA LYS 50 HA LYS 50 -3.918 -5.515 -8.763 376 HB2 LYS 50 HB2 LYS 50 -4.856 -4.513 -11.265 377 HB3 LYS 50 HB3 LYS 50 -3.644 -5.744 -11.595 378 HG2 LYS 50 HG2 LYS 50 -5.790 -6.787 -11.528 379 HG3 LYS 50 HG3 LYS 50 -4.884 -7.288 -10.099 380 HD2 LYS 50 HD2 LYS 50 -6.069 -5.441 -8.852 381 HD3 LYS 50 HD3 LYS 50 -7.106 -5.263 -10.269 382 HE2 LYS 50 HE2 LYS 50 -6.764 -7.760 -8.609 383 HE3 LYS 50 HE3 LYS 50 -8.154 -6.680 -8.578 384 HZ1 LYS 50 HZ1 LYS 50 -8.670 -7.273 -10.836 385 HZ2 LYS 50 HZ2 LYS 50 -8.501 -8.696 -9.925 386 HZ3 LYS 50 HZ3 LYS 50 -7.259 -8.210 -10.965 387 H GLU 51 H GLU 51 -1.904 -3.550 -10.892 388 HA GLU 51 HA GLU 51 0.222 -5.338 -11.237 389 HB2 GLU 51 HB2 GLU 51 0.230 -2.324 -11.150 390 HB3 GLU 51 HB3 GLU 51 1.583 -3.308 -11.697 391 HG2 GLU 51 HG2 GLU 51 -1.147 -3.451 -12.933 392 HG3 GLU 51 HG3 GLU 51 0.106 -2.345 -13.478 393 H LEU 52 H LEU 52 -0.442 -2.966 -8.724 394 HA LEU 52 HA LEU 52 2.003 -3.196 -7.345 395 HG LEU 52 HG LEU 52 0.168 -0.795 -8.022 396 HB2 LEU 52 HB2 LEU 52 -0.738 -2.365 -6.392 397 HB3 LEU 52 HB3 LEU 52 0.712 -2.222 -5.422 398 HD11 LEU 52 HD11 LEU 52 -1.107 0.092 -6.153 399 HD12 LEU 52 HD12 LEU 52 0.168 1.212 -6.628 400 HD13 LEU 52 HD13 LEU 52 0.365 0.213 -5.189 401 HD21 LEU 52 HD21 LEU 52 2.525 -1.367 -7.798 402 HD22 LEU 52 HD22 LEU 52 2.553 -0.653 -6.186 403 HD23 LEU 52 HD23 LEU 52 2.274 0.368 -7.598 404 H ALA 53 H ALA 53 -1.161 -4.728 -6.752 405 HA ALA 53 HA ALA 53 -0.347 -6.221 -4.505 406 HB1 ALA 53 HB1 ALA 53 -2.572 -6.795 -6.462 407 HB2 ALA 53 HB2 ALA 53 -2.691 -5.793 -5.013 408 HB3 ALA 53 HB3 ALA 53 -2.389 -7.526 -4.867 409 H ALA 54 H ALA 54 -0.382 -6.980 -7.953 410 HA ALA 54 HA ALA 54 0.280 -9.714 -7.701 411 HB1 ALA 54 HB1 ALA 54 0.786 -7.858 -10.022 412 HB2 ALA 54 HB2 ALA 54 -0.692 -8.779 -9.735 413 HB3 ALA 54 HB3 ALA 54 0.821 -9.620 -10.074 414 H ALA 55 H ALA 55 2.257 -6.803 -8.000 415 HA ALA 55 HA ALA 55 4.698 -8.298 -8.318 416 HB1 ALA 55 HB1 ALA 55 4.421 -6.123 -9.387 417 HB2 ALA 55 HB2 ALA 55 5.801 -6.128 -8.291 418 HB3 ALA 55 HB3 ALA 55 4.292 -5.357 -7.804 419 H ALA 56 H ALA 56 3.043 -6.636 -5.691 420 HA ALA 56 HA ALA 56 5.208 -6.624 -3.878 421 HB1 ALA 56 HB1 ALA 56 3.262 -5.163 -3.629 422 HB2 ALA 56 HB2 ALA 56 3.545 -6.114 -2.172 423 HB3 ALA 56 HB3 ALA 56 2.253 -6.567 -3.282 424 H SER 57 H SER 57 2.368 -8.773 -4.061 425 HA SER 57 HA SER 57 3.672 -10.532 -2.127 426 HG SER 57 HG SER 57 2.075 -9.190 -1.127 427 HB2 SER 57 HB2 SER 57 0.840 -10.614 -3.171 428 HB3 SER 57 HB3 SER 57 1.485 -11.541 -1.817 429 H SER 58 H SER 58 1.943 -10.770 -5.171 430 HA SER 58 HA SER 58 1.961 -12.225 -6.896 431 HG SER 58 HG SER 58 3.922 -10.972 -7.100 432 HB2 SER 58 HB2 SER 58 4.576 -13.199 -5.714 433 HB3 SER 58 HB3 SER 58 3.956 -13.624 -7.309 434 H ALA 59 H ALA 59 3.288 -13.975 -4.116 435 HA ALA 59 HA ALA 59 2.820 -15.981 -3.172 436 HB1 ALA 59 HB1 ALA 59 0.484 -16.563 -2.830 437 HB2 ALA 59 HB2 ALA 59 -0.004 -15.380 -4.043 438 HB3 ALA 59 HB3 ALA 59 0.749 -14.844 -2.542 439 H ASP 60 H ASP 60 0.322 -16.274 -5.633 440 HA ASP 60 HA ASP 60 1.907 -17.928 -7.353 441 HB2 ASP 60 HB2 ASP 60 1.295 -19.527 -5.521 442 HB3 ASP 60 HB3 ASP 60 -0.403 -19.237 -5.893 443 H GLU 61 H GLU 61 -1.467 -17.438 -6.381 444 HA GLU 61 HA GLU 61 -2.098 -16.760 -9.172 445 HB2 GLU 61 HB2 GLU 61 -4.442 -17.432 -8.569 446 HB3 GLU 61 HB3 GLU 61 -3.268 -18.741 -8.558 447 HG2 GLU 61 HG2 GLU 61 -3.113 -18.569 -6.122 448 HG3 GLU 61 HG3 GLU 61 -4.317 -17.281 -6.145 449 H GLY 62 H GLY 62 -1.273 -15.147 -6.635 450 HA2 GLY 62 HA2 GLY 62 -1.607 -12.753 -6.683 451 HA3 GLY 62 HA3 GLY 62 -3.289 -13.050 -7.086 452 H ALA 63 H ALA 63 -2.907 -11.333 -5.149 453 HA ALA 63 HA ALA 63 -3.081 -12.691 -2.566 454 HB1 ALA 63 HB1 ALA 63 -3.065 -9.746 -3.214 455 HB2 ALA 63 HB2 ALA 63 -1.656 -10.696 -2.743 456 HB3 ALA 63 HB3 ALA 63 -2.982 -10.460 -1.605 457 H SER 64 H SER 64 -4.843 -12.015 -1.088 458 HA SER 64 HA SER 64 -7.373 -12.275 -2.385 459 HG SER 64 HG SER 64 -6.857 -14.024 -0.988 460 HB2 SER 64 HB2 SER 64 -6.727 -11.663 0.510 461 HB3 SER 64 HB3 SER 64 -8.299 -12.167 -0.111 462 H VAL 65 H VAL 65 -7.737 -10.525 -3.676 463 HA VAL 65 HA VAL 65 -7.962 -7.931 -2.320 464 HB VAL 65 HB VAL 65 -6.394 -7.766 -4.135 465 HG11 VAL 65 HG11 VAL 65 -6.994 -8.280 -6.458 466 HG12 VAL 65 HG12 VAL 65 -8.544 -8.917 -5.908 467 HG13 VAL 65 HG13 VAL 65 -7.044 -9.712 -5.430 468 HG21 VAL 65 HG21 VAL 65 -9.038 -6.570 -4.960 469 HG22 VAL 65 HG22 VAL 65 -7.448 -6.054 -5.525 470 HG23 VAL 65 HG23 VAL 65 -7.886 -5.864 -3.828 471 H ALA 66 H ALA 66 -9.920 -7.299 -1.876 472 HA ALA 66 HA ALA 66 -12.112 -7.982 -3.713 473 HB1 ALA 66 HB1 ALA 66 -13.618 -8.319 -1.835 474 HB2 ALA 66 HB2 ALA 66 -12.304 -8.003 -0.704 475 HB3 ALA 66 HB3 ALA 66 -12.255 -9.434 -1.732 476 H TYR 67 H TYR 67 -12.331 -6.000 -4.642 477 HA TYR 67 HA TYR 67 -12.438 -3.668 -2.876 478 HD1 TYR 67 HD2 TYR 67 -11.600 -5.589 -6.478 479 HD2 TYR 67 HD1 TYR 67 -13.468 -1.767 -6.543 480 HE1 TYR 67 HE2 TYR 67 -12.422 -6.029 -8.757 481 HE2 TYR 67 HE1 TYR 67 -14.292 -2.196 -8.817 482 HH TYR 67 HH TYR 67 -13.831 -3.537 -10.714 483 HB2 TYR 67 HB2 TYR 67 -12.039 -2.298 -4.785 484 HB3 TYR 67 HB3 TYR 67 -10.925 -3.652 -4.909 485 H LYS 68 H LYS 68 -14.244 -2.481 -2.611 486 HA LYS 68 HA LYS 68 -16.614 -3.341 -4.136 487 HB2 LYS 68 HB2 LYS 68 -18.004 -2.710 -2.295 488 HB3 LYS 68 HB3 LYS 68 -16.719 -3.722 -1.653 489 HG2 LYS 68 HG2 LYS 68 -15.616 -1.888 -0.692 490 HG3 LYS 68 HG3 LYS 68 -16.571 -0.726 -1.603 491 HD2 LYS 68 HD2 LYS 68 -18.574 -1.417 -0.370 492 HD3 LYS 68 HD3 LYS 68 -17.605 -2.568 0.549 493 HE2 LYS 68 HE2 LYS 68 -16.907 0.346 0.499 494 HE3 LYS 68 HE3 LYS 68 -18.143 -0.270 1.595 495 HZ1 LYS 68 HZ1 LYS 68 -15.330 -1.239 1.480 496 HZ2 LYS 68 HZ2 LYS 68 -16.531 -1.749 2.561 497 HZ3 LYS 68 HZ3 LYS 68 -15.954 -0.162 2.632 498 H ILE 69 H ILE 69 -18.103 -1.708 -4.709 499 HA ILE 69 HA ILE 69 -16.966 0.996 -4.830 500 HB ILE 69 HB ILE 69 -18.566 -0.341 -7.023 501 HG12 ILE 69 HG12 ILE 69 -15.647 0.473 -6.936 502 HG13 ILE 69 HG13 ILE 69 -16.250 -1.181 -6.889 503 HG21 ILE 69 HG21 ILE 69 -19.033 2.042 -6.827 504 HG22 ILE 69 HG22 ILE 69 -18.109 1.705 -8.292 505 HG23 ILE 69 HG23 ILE 69 -17.305 2.395 -6.882 506 HD11 ILE 69 HD11 ILE 69 -17.150 -0.920 -9.133 507 HD12 ILE 69 HD12 ILE 69 -15.421 -0.578 -9.094 508 HD13 ILE 69 HD13 ILE 69 -16.581 0.748 -9.175 509 H LYS 70 H LYS 70 -18.163 2.291 -3.673 510 HA LYS 70 HA LYS 70 -20.999 1.666 -3.285 511 HB2 LYS 70 HB2 LYS 70 -19.506 2.032 -1.341 512 HB3 LYS 70 HB3 LYS 70 -19.294 3.690 -1.862 513 HG2 LYS 70 HG2 LYS 70 -21.715 4.047 -1.595 514 HG3 LYS 70 HG3 LYS 70 -21.858 2.399 -0.975 515 HD2 LYS 70 HD2 LYS 70 -20.185 4.603 0.231 516 HD3 LYS 70 HD3 LYS 70 -21.737 4.033 0.847 517 HE2 LYS 70 HE2 LYS 70 -20.799 1.847 1.297 518 HE3 LYS 70 HE3 LYS 70 -19.266 2.323 0.566 519 HZ1 LYS 70 HZ1 LYS 70 -18.970 3.963 2.307 520 HZ2 LYS 70 HZ2 LYS 70 -19.183 2.423 2.985 521 HZ3 LYS 70 HZ3 LYS 70 -20.463 3.538 2.999 522 H ASP 71 H ASP 71 -21.954 2.389 -5.005 523 HA ASP 71 HA ASP 71 -21.368 4.836 -6.345 524 HB2 ASP 71 HB2 ASP 71 -23.681 2.902 -6.546 525 HB3 ASP 71 HB3 ASP 71 -23.544 4.340 -7.544 526 H LEU 72 H LEU 72 -21.737 6.713 -5.299 527 HA LEU 72 HA LEU 72 -24.103 6.912 -3.562 528 HG LEU 72 HG LEU 72 -21.235 6.298 -2.585 529 HB2 LEU 72 HB2 LEU 72 -21.558 8.542 -3.575 530 HB3 LEU 72 HB3 LEU 72 -22.912 8.804 -2.494 531 HD11 LEU 72 HD11 LEU 72 -19.968 8.206 -1.756 532 HD12 LEU 72 HD12 LEU 72 -20.336 7.076 -0.453 533 HD13 LEU 72 HD13 LEU 72 -21.256 8.572 -0.606 534 HD21 LEU 72 HD21 LEU 72 -22.398 5.746 -0.498 535 HD22 LEU 72 HD22 LEU 72 -23.515 5.871 -1.857 536 HD23 LEU 72 HD23 LEU 72 -23.403 7.183 -0.684 537 H GLU 73 H GLU 73 -24.484 9.499 -3.300 538 HA GLU 73 HA GLU 73 -25.578 10.311 -5.826 539 HB2 GLU 73 HB2 GLU 73 -26.767 10.684 -3.698 540 HB3 GLU 73 HB3 GLU 73 -25.479 11.755 -3.170 541 HG2 GLU 73 HG2 GLU 73 -26.013 13.320 -4.936 542 HG3 GLU 73 HG3 GLU 73 -27.257 12.230 -5.550 543 H GLY 74 H GLY 74 -24.033 10.881 -7.274 544 HA2 GLY 74 HA2 GLY 74 -22.980 12.706 -8.320 545 HA3 GLY 74 HA3 GLY 74 -22.752 13.448 -6.747 546 H GLN 75 H GLN 75 -21.783 10.404 -6.226 547 HA GLN 75 HA GLN 75 -19.225 10.384 -7.488 548 HB2 GLN 75 HB2 GLN 75 -17.883 10.698 -5.441 549 HB3 GLN 75 HB3 GLN 75 -18.759 12.152 -5.892 550 HG2 GLN 75 HG2 GLN 75 -20.503 11.504 -4.203 551 HG3 GLN 75 HG3 GLN 75 -19.404 10.234 -3.667 552 HE21 GLN 75 HE21 GLN 75 -17.473 10.813 -2.647 553 HE22 GLN 75 HE22 GLN 75 -17.222 12.391 -1.984 554 H VAL 76 H VAL 76 -17.767 8.682 -6.214 555 HA VAL 76 HA VAL 76 -19.502 6.604 -5.072 556 HB VAL 76 HB VAL 76 -18.312 4.860 -6.316 557 HG11 VAL 76 HG11 VAL 76 -19.582 6.951 -8.076 558 HG12 VAL 76 HG12 VAL 76 -20.410 5.651 -7.217 559 HG13 VAL 76 HG13 VAL 76 -19.299 5.272 -8.534 560 HG21 VAL 76 HG21 VAL 76 -16.209 6.005 -6.688 561 HG22 VAL 76 HG22 VAL 76 -17.000 7.153 -7.770 562 HG23 VAL 76 HG23 VAL 76 -16.881 5.451 -8.223 563 H GLU 77 H GLU 77 -18.453 5.111 -3.721 564 HA GLU 77 HA GLU 77 -15.848 5.997 -2.678 565 HB2 GLU 77 HB2 GLU 77 -17.706 5.892 -1.054 566 HB3 GLU 77 HB3 GLU 77 -17.952 4.197 -1.444 567 HG2 GLU 77 HG2 GLU 77 -15.569 3.821 -0.677 568 HG3 GLU 77 HG3 GLU 77 -15.630 5.458 -0.027 569 H LEU 78 H LEU 78 -14.189 4.891 -3.527 570 HA LEU 78 HA LEU 78 -14.574 2.078 -4.259 571 HG LEU 78 HG LEU 78 -11.820 2.317 -6.760 572 HB2 LEU 78 HB2 LEU 78 -13.541 3.646 -5.911 573 HB3 LEU 78 HB3 LEU 78 -12.218 3.903 -4.797 574 HD11 LEU 78 HD11 LEU 78 -11.278 1.334 -3.963 575 HD12 LEU 78 HD12 LEU 78 -10.280 2.450 -4.896 576 HD13 LEU 78 HD13 LEU 78 -10.465 0.778 -5.426 577 HD21 LEU 78 HD21 LEU 78 -12.523 -0.006 -6.414 578 HD22 LEU 78 HD22 LEU 78 -13.894 1.077 -6.648 579 HD23 LEU 78 HD23 LEU 78 -13.493 0.503 -5.030 580 H ASP 79 H ASP 79 -14.131 0.642 -2.746 581 HA ASP 79 HA ASP 79 -11.900 1.209 -0.905 582 HB2 ASP 79 HB2 ASP 79 -13.949 1.518 0.353 583 HB3 ASP 79 HB3 ASP 79 -14.563 -0.040 -0.193 584 H ALA 80 H ALA 80 -10.347 -0.167 -1.360 585 HA ALA 80 HA ALA 80 -11.081 -2.850 -2.305 586 HB1 ALA 80 HB1 ALA 80 -9.682 -1.525 -3.812 587 HB2 ALA 80 HB2 ALA 80 -8.844 -2.969 -3.248 588 HB3 ALA 80 HB3 ALA 80 -8.451 -1.395 -2.556 589 H ALA 81 H ALA 81 -10.855 -4.501 -0.977 590 HA ALA 81 HA ALA 81 -9.276 -4.181 1.458 591 HB1 ALA 81 HB1 ALA 81 -11.565 -4.998 1.688 592 HB2 ALA 81 HB2 ALA 81 -10.399 -6.210 2.221 593 HB3 ALA 81 HB3 ALA 81 -11.185 -6.373 0.651 594 H PHE 82 H PHE 82 -7.201 -4.694 1.256 595 HA PHE 82 HA PHE 82 -6.449 -6.973 -0.431 596 HD1 PHE 82 HD1 PHE 82 -6.112 -3.044 -0.562 597 HD2 PHE 82 HD2 PHE 82 -4.299 -6.388 -2.471 598 HE1 PHE 82 HE1 PHE 82 -6.417 -1.957 -2.747 599 HE2 PHE 82 HE2 PHE 82 -4.600 -5.304 -4.660 600 HZ PHE 82 HZ PHE 82 -5.660 -3.089 -4.801 601 HB2 PHE 82 HB2 PHE 82 -4.851 -4.679 0.703 602 HB3 PHE 82 HB3 PHE 82 -4.107 -6.063 -0.086 603 H THR 83 H THR 83 -5.920 -8.847 0.462 604 HA THR 83 HA THR 83 -5.258 -8.849 3.340 605 HB THR 83 HB THR 83 -6.456 -11.160 1.804 606 HG1 THR 83 HG1 THR 83 -7.665 -8.925 2.359 607 HG21 THR 83 HG21 THR 83 -5.299 -11.766 3.868 608 HG22 THR 83 HG22 THR 83 -7.042 -11.965 4.055 609 HG23 THR 83 HG23 THR 83 -6.237 -10.563 4.759 610 H PHE 84 H PHE 84 -3.132 -9.046 3.507 611 HA PHE 84 HA PHE 84 -1.681 -10.689 1.564 612 HD1 PHE 84 HD2 PHE 84 -0.371 -9.104 -0.072 613 HD2 PHE 84 HD1 PHE 84 -1.571 -6.655 3.188 614 HE1 PHE 84 HE2 PHE 84 -0.849 -7.268 -1.636 615 HE2 PHE 84 HE1 PHE 84 -2.056 -4.814 1.632 616 HZ PHE 84 HZ PHE 84 -1.692 -5.120 -0.785 617 HB2 PHE 84 HB2 PHE 84 -0.620 -8.728 3.613 618 HB3 PHE 84 HB3 PHE 84 0.322 -9.538 2.364 619 H SER 85 H SER 85 -0.305 -12.336 2.202 620 HA SER 85 HA SER 85 -1.120 -13.886 4.398 621 HG SER 85 HG SER 85 -0.005 -15.661 1.694 622 HB2 SER 85 HB2 SER 85 1.528 -14.139 2.968 623 HB3 SER 85 HB3 SER 85 0.584 -15.416 3.737 624 H CYS 86 H CYS 86 1.505 -11.596 3.965 625 HA CYS 86 HA CYS 86 2.110 -11.815 6.829 626 HG CYS 86 HG CYS 86 4.350 -13.897 4.090 627 HB2 CYS 86 HB2 CYS 86 4.169 -11.409 4.650 628 HB3 CYS 86 HB3 CYS 86 4.479 -11.573 6.377 629 H GLN 87 H GLN 87 3.177 -9.862 7.695 630 HA GLN 87 HA GLN 87 1.846 -7.498 6.823 631 HB2 GLN 87 HB2 GLN 87 2.285 -7.731 9.155 632 HB3 GLN 87 HB3 GLN 87 3.999 -8.005 8.876 633 HG2 GLN 87 HG2 GLN 87 4.412 -5.765 8.423 634 HG3 GLN 87 HG3 GLN 87 2.715 -5.416 8.098 635 HE21 GLN 87 HE21 GLN 87 1.316 -5.105 9.804 636 HE22 GLN 87 HE22 GLN 87 1.858 -4.806 11.414 637 H ALA 88 H ALA 88 4.933 -8.920 6.187 638 HA ALA 88 HA ALA 88 6.402 -6.750 5.271 639 HB1 ALA 88 HB1 ALA 88 7.635 -8.384 3.888 640 HB2 ALA 88 HB2 ALA 88 6.396 -9.588 4.245 641 HB3 ALA 88 HB3 ALA 88 7.395 -8.939 5.545 642 H GLU 89 H GLU 89 4.046 -8.765 3.549 643 HA GLU 89 HA GLU 89 4.369 -7.519 1.016 644 HB2 GLU 89 HB2 GLU 89 1.710 -8.638 1.715 645 HB3 GLU 89 HB3 GLU 89 2.704 -8.926 0.298 646 HG2 GLU 89 HG2 GLU 89 3.181 -10.130 3.014 647 HG3 GLU 89 HG3 GLU 89 2.342 -10.927 1.688 648 H MET 90 H MET 90 2.560 -6.746 3.874 649 HA MET 90 HA MET 90 0.642 -5.046 2.593 650 HB2 MET 90 HB2 MET 90 0.375 -6.304 4.806 651 HB3 MET 90 HB3 MET 90 1.374 -5.051 5.521 652 HG2 MET 90 HG2 MET 90 -1.177 -4.454 4.052 653 HG3 MET 90 HG3 MET 90 -1.121 -4.804 5.775 654 HE1 MET 90 HE1 MET 90 0.010 -3.239 7.579 655 HE2 MET 90 HE2 MET 90 0.967 -1.815 7.170 656 HE3 MET 90 HE3 MET 90 1.542 -3.422 6.723 657 H ILE 91 H ILE 91 3.548 -4.497 4.579 658 HA ILE 91 HA ILE 91 3.319 -1.686 4.533 659 HB ILE 91 HB ILE 91 5.717 -1.708 5.277 660 HG12 ILE 91 HG12 ILE 91 5.301 -4.702 5.307 661 HG13 ILE 91 HG13 ILE 91 6.331 -3.850 4.168 662 HG21 ILE 91 HG21 ILE 91 3.844 -1.654 6.828 663 HG22 ILE 91 HG22 ILE 91 5.176 -2.609 7.480 664 HG23 ILE 91 HG23 ILE 91 3.763 -3.416 6.802 665 HD11 ILE 91 HD11 ILE 91 6.703 -3.937 7.151 666 HD12 ILE 91 HD12 ILE 91 7.748 -3.097 6.005 667 HD13 ILE 91 HD13 ILE 91 7.623 -4.857 5.960 668 H ILE 92 H ILE 92 5.054 -3.953 2.429 669 HA ILE 92 HA ILE 92 6.421 -1.929 0.970 670 HB ILE 92 HB ILE 92 6.803 -3.666 -0.742 671 HG12 ILE 92 HG12 ILE 92 5.153 -5.457 1.041 672 HG13 ILE 92 HG13 ILE 92 4.630 -4.830 -0.519 673 HG21 ILE 92 HG21 ILE 92 7.287 -4.570 2.088 674 HG22 ILE 92 HG22 ILE 92 8.310 -3.485 1.145 675 HG23 ILE 92 HG23 ILE 92 8.130 -5.172 0.660 676 HD11 ILE 92 HD11 ILE 92 6.968 -6.663 -0.047 677 HD12 ILE 92 HD12 ILE 92 6.447 -6.037 -1.610 678 HD13 ILE 92 HD13 ILE 92 5.397 -7.124 -0.701 679 H PHE 93 H PHE 93 3.277 -3.393 0.773 680 HA PHE 93 HA PHE 93 2.516 -2.417 -1.765 681 HD1 PHE 93 HD2 PHE 93 0.471 -3.608 -3.002 682 HD2 PHE 93 HD1 PHE 93 -1.143 -1.997 0.586 683 HE1 PHE 93 HE2 PHE 93 -1.604 -3.037 -4.196 684 HE2 PHE 93 HE1 PHE 93 -3.221 -1.426 -0.595 685 HZ PHE 93 HZ PHE 93 -3.452 -1.942 -2.987 686 HB2 PHE 93 HB2 PHE 93 1.307 -4.218 -0.651 687 HB3 PHE 93 HB3 PHE 93 0.857 -3.138 0.662 688 H GLU 94 H GLU 94 2.022 -1.180 1.521 689 HA GLU 94 HA GLU 94 0.601 1.137 0.952 690 HB2 GLU 94 HB2 GLU 94 2.664 0.623 3.100 691 HB3 GLU 94 HB3 GLU 94 1.597 2.017 3.075 692 HG2 GLU 94 HG2 GLU 94 0.505 -0.766 3.039 693 HG3 GLU 94 HG3 GLU 94 0.981 0.012 4.545 694 H LEU 95 H LEU 95 4.116 0.696 1.175 695 HA LEU 95 HA LEU 95 4.866 3.352 0.745 696 HG LEU 95 HG LEU 95 5.887 1.044 2.504 697 HB2 LEU 95 HB2 LEU 95 6.334 0.799 0.081 698 HB3 LEU 95 HB3 LEU 95 7.066 2.391 0.073 699 HD11 LEU 95 HD11 LEU 95 7.916 -0.068 1.700 700 HD12 LEU 95 HD12 LEU 95 8.181 0.758 3.235 701 HD13 LEU 95 HD13 LEU 95 8.769 1.477 1.735 702 HD21 LEU 95 HD21 LEU 95 6.931 2.858 3.746 703 HD22 LEU 95 HD22 LEU 95 5.766 3.491 2.584 704 HD23 LEU 95 HD23 LEU 95 7.494 3.582 2.240 705 H SER 96 H SER 96 4.393 0.687 -1.526 706 HA SER 96 HA SER 96 5.264 2.164 -3.791 707 HG SER 96 HG SER 96 4.864 -0.673 -5.726 708 HB2 SER 96 HB2 SER 96 5.235 -0.373 -3.523 709 HB3 SER 96 HB3 SER 96 3.504 -0.290 -3.849 710 H LEU 97 H LEU 97 2.228 1.907 -2.126 711 HA LEU 97 HA LEU 97 0.382 2.515 -4.095 712 HG LEU 97 HG LEU 97 0.090 0.964 -1.541 713 HB2 LEU 97 HB2 LEU 97 0.500 3.368 -1.210 714 HB3 LEU 97 HB3 LEU 97 -0.863 3.739 -2.245 715 HD11 LEU 97 HD11 LEU 97 -2.297 2.550 -0.602 716 HD12 LEU 97 HD12 LEU 97 -0.909 2.060 0.371 717 HD13 LEU 97 HD13 LEU 97 -2.013 0.842 -0.266 718 HD21 LEU 97 HD21 LEU 97 -1.948 0.217 -2.646 719 HD22 LEU 97 HD22 LEU 97 -0.914 1.101 -3.769 720 HD23 LEU 97 HD23 LEU 97 -2.335 1.883 -3.078 721 H ARG 98 H ARG 98 2.103 4.848 -2.024 722 HA ARG 98 HA ARG 98 1.124 7.027 -3.635 723 HE ARG 98 HE ARG 98 4.367 6.044 1.239 724 HB2 ARG 98 HB2 ARG 98 2.665 8.443 -2.207 725 HB3 ARG 98 HB3 ARG 98 1.348 7.628 -1.385 726 HG2 ARG 98 HG2 ARG 98 3.997 6.284 -1.459 727 HG3 ARG 98 HG3 ARG 98 3.792 7.682 -0.402 728 HD2 ARG 98 HD2 ARG 98 1.680 6.492 0.442 729 HD3 ARG 98 HD3 ARG 98 2.330 5.059 -0.350 730 HH11 ARG 98 HH11 ARG 98 1.109 4.811 1.717 731 HH12 ARG 98 HH12 ARG 98 1.429 4.265 3.343 732 HH21 ARG 98 HH21 ARG 98 4.773 5.326 3.349 733 HH22 ARG 98 HH22 ARG 98 3.509 4.562 4.264 734 H SER 99 H SER 99 3.985 5.086 -3.538 735 HA SER 99 HA SER 99 5.632 6.958 -4.952 736 HG SER 99 HG SER 99 6.095 4.797 -2.471 737 HB2 SER 99 HB2 SER 99 6.062 4.008 -4.452 738 HB3 SER 99 HB3 SER 99 7.289 5.173 -4.959 739 H LEU 100 H LEU 100 3.165 4.888 -5.939 740 HA LEU 100 HA LEU 100 4.264 4.341 -8.555 741 HG LEU 100 HG LEU 100 1.749 3.787 -10.095 742 HB2 LEU 100 HB2 LEU 100 2.611 2.871 -7.347 743 HB3 LEU 100 HB3 LEU 100 1.397 4.091 -7.666 744 HD11 LEU 100 HD11 LEU 100 4.041 3.018 -10.091 745 HD12 LEU 100 HD12 LEU 100 3.010 1.822 -10.877 746 HD13 LEU 100 HD13 LEU 100 3.578 1.551 -9.228 747 HD21 LEU 100 HD21 LEU 100 -0.035 2.580 -8.992 748 HD22 LEU 100 HD22 LEU 100 1.079 1.280 -8.565 749 HD23 LEU 100 HD23 LEU 100 0.683 1.583 -10.258 750 H ALA 101 H ALA 101 2.201 6.694 -7.035 751 HA ALA 101 HA ALA 101 1.629 8.018 -9.564 752 HB1 ALA 101 HB1 ALA 101 -0.129 7.916 -7.848 753 HB2 ALA 101 HB2 ALA 101 0.317 9.580 -8.222 754 HB3 ALA 101 HB3 ALA 101 0.906 8.821 -6.743 755 H LEU 102 H LEU 102 3.819 8.122 -6.923 756 HA LEU 102 HA LEU 102 5.145 10.458 -8.114 757 HG LEU 102 HG LEU 102 2.813 11.097 -6.225 758 HB2 LEU 102 HB2 LEU 102 4.739 9.934 -5.173 759 HB3 LEU 102 HB3 LEU 102 5.809 11.164 -5.817 760 HD11 LEU 102 HD11 LEU 102 3.388 11.522 -3.900 761 HD12 LEU 102 HD12 LEU 102 2.782 12.989 -4.671 762 HD13 LEU 102 HD13 LEU 102 4.513 12.787 -4.395 763 HD21 LEU 102 HD21 LEU 102 3.116 13.354 -7.090 764 HD22 LEU 102 HD22 LEU 102 4.039 12.193 -8.044 765 HD23 LEU 102 HD23 LEU 102 4.859 13.220 -6.868 766 H GLU 103 H GLU 103 6.595 9.094 -9.144 767 HA GLU 103 HA GLU 103 8.083 7.061 -7.914 768 HB2 GLU 103 HB2 GLU 103 7.981 7.304 -10.347 769 HB3 GLU 103 HB3 GLU 103 8.831 8.841 -10.242 770 HG2 GLU 103 HG2 GLU 103 10.691 7.460 -9.093 771 HG3 GLU 103 HG3 GLU 103 9.876 6.077 -9.823 772 H HIS 104 H HIS 104 9.343 7.314 -6.198 773 HA HIS 104 HA HIS 104 10.820 9.821 -5.850 774 HD1 HIS 104 HD1 HIS 104 9.712 11.300 -4.137 775 HD2 HIS 104 HD2 HIS 104 7.858 7.783 -2.901 776 HE1 HIS 104 HE1 HIS 104 7.474 11.992 -3.223 777 HE2 HIS 104 HE2 HIS 104 6.473 9.882 -2.281 778 HB2 HIS 104 HB2 HIS 104 10.338 7.539 -3.917 779 HB3 HIS 104 HB3 HIS 104 11.288 8.974 -3.556 780 H HIS 105 H HIS 105 12.597 9.689 -7.106 781 HA HIS 105 HA HIS 105 14.346 7.360 -6.683 782 HD1 HIS 105 HD1 HIS 105 12.657 9.242 -10.593 783 HD2 HIS 105 HD2 HIS 105 15.921 10.901 -8.603 784 HE1 HIS 105 HE1 HIS 105 12.885 11.587 -11.482 785 HE2 HIS 105 HE2 HIS 105 14.766 12.615 -10.157 786 HB2 HIS 105 HB2 HIS 105 15.434 7.910 -8.820 787 HB3 HIS 105 HB3 HIS 105 13.715 7.619 -9.040 788 H HIS 106 H HIS 106 16.658 7.820 -6.628 789 HA HIS 106 HA HIS 106 17.451 10.515 -5.919 790 HD1 HIS 106 HD1 HIS 106 19.716 7.457 -3.855 791 HD2 HIS 106 HD2 HIS 106 15.611 7.265 -3.223 792 HE1 HIS 106 HE1 HIS 106 19.270 5.131 -3.033 793 HE2 HIS 106 HE2 HIS 106 16.761 4.977 -2.847 794 HB2 HIS 106 HB2 HIS 106 18.440 9.803 -3.742 795 HB3 HIS 106 HB3 HIS 106 16.685 9.727 -3.755 796 H HIS 107 H HIS 107 19.931 10.101 -4.945 797 HA HIS 107 HA HIS 107 21.561 9.377 -7.041 798 HD1 HIS 107 HD1 HIS 107 24.497 10.857 -6.322 799 HD2 HIS 107 HD2 HIS 107 24.100 7.029 -4.738 800 HE1 HIS 107 HE1 HIS 107 26.723 9.735 -6.676 801 HE2 HIS 107 HE2 HIS 107 26.398 7.370 -5.875 802 HB2 HIS 107 HB2 HIS 107 22.364 10.550 -5.020 803 HB3 HIS 107 HB3 HIS 107 22.177 9.068 -4.089 804 H HIS 108 H HIS 108 21.437 7.545 -8.123 805 HA HIS 108 HA HIS 108 21.505 5.011 -6.612 806 HD1 HIS 108 HD1 HIS 108 19.813 2.956 -6.495 807 HD2 HIS 108 HD2 HIS 108 20.261 3.154 -10.627 808 HE1 HIS 108 HE1 HIS 108 19.634 0.587 -7.312 809 HE2 HIS 108 HE2 HIS 108 19.681 0.761 -9.826 810 HB2 HIS 108 HB2 HIS 108 19.336 5.390 -7.782 811 HB3 HIS 108 HB3 HIS 108 20.203 5.501 -9.307 812 H HIS 109 H HIS 109 22.987 7.080 -8.797 813 HA HIS 109 HA HIS 109 25.200 5.254 -9.098 814 HD1 HIS 109 HD1 HIS 109 25.735 3.212 -11.595 815 HD2 HIS 109 HD2 HIS 109 26.459 7.208 -12.509 816 HE1 HIS 109 HE1 HIS 109 27.882 3.239 -12.910 817 HE2 HIS 109 HE2 HIS 109 28.403 5.679 -13.256 818 HB2 HIS 109 HB2 HIS 109 23.769 4.737 -11.078 819 HB3 HIS 109 HB3 HIS 109 23.887 6.427 -11.563 Start of MODEL 6 1 HA MET 1 HA MET 1 48.027 -10.070 30.428 2 H1 MET 1 H1 MET 1 49.915 -7.860 30.983 3 H2 MET 1 H2 MET 1 50.302 -9.409 30.398 4 H3 MET 1 H3 MET 1 49.688 -9.223 31.964 5 HB2 MET 1 HB2 MET 1 47.584 -7.304 31.565 6 HB3 MET 1 HB3 MET 1 46.291 -8.277 30.879 7 HG2 MET 1 HG2 MET 1 46.273 -8.487 33.268 8 HG3 MET 1 HG3 MET 1 46.745 -10.024 32.545 9 HE1 MET 1 HE1 MET 1 48.782 -10.083 35.856 10 HE2 MET 1 HE2 MET 1 47.685 -10.970 34.799 11 HE3 MET 1 HE3 MET 1 47.139 -9.498 35.600 12 H ALA 2 H ALA 2 46.860 -9.873 28.547 13 HA ALA 2 HA ALA 2 47.892 -7.835 26.683 14 HB1 ALA 2 HB1 ALA 2 48.707 -10.081 26.142 15 HB2 ALA 2 HB2 ALA 2 47.647 -9.448 24.884 16 HB3 ALA 2 HB3 ALA 2 47.042 -10.651 26.021 17 H MET 3 H MET 3 46.367 -6.361 26.435 18 HA MET 3 HA MET 3 43.601 -7.287 25.980 19 HB2 MET 3 HB2 MET 3 44.509 -4.667 27.197 20 HB3 MET 3 HB3 MET 3 42.843 -5.086 26.830 21 HG2 MET 3 HG2 MET 3 42.930 -6.908 28.435 22 HG3 MET 3 HG3 MET 3 44.615 -6.526 28.788 23 HE1 MET 3 HE1 MET 3 41.055 -3.764 29.796 24 HE2 MET 3 HE2 MET 3 40.883 -5.373 29.094 25 HE3 MET 3 HE3 MET 3 41.598 -4.070 28.145 26 H LYS 4 H LYS 4 44.192 -7.514 23.765 27 HA LYS 4 HA LYS 4 44.497 -4.947 22.360 28 HB2 LYS 4 HB2 LYS 4 45.687 -7.622 21.598 29 HB3 LYS 4 HB3 LYS 4 45.805 -6.148 20.646 30 HG2 LYS 4 HG2 LYS 4 47.089 -5.075 22.374 31 HG3 LYS 4 HG3 LYS 4 46.881 -6.467 23.436 32 HD2 LYS 4 HD2 LYS 4 48.123 -7.860 21.858 33 HD3 LYS 4 HD3 LYS 4 48.322 -6.471 20.786 34 HE2 LYS 4 HE2 LYS 4 49.595 -5.309 22.487 35 HE3 LYS 4 HE3 LYS 4 49.336 -6.635 23.619 36 HZ1 LYS 4 HZ1 LYS 4 50.604 -8.091 22.206 37 HZ2 LYS 4 HZ2 LYS 4 51.531 -6.712 22.565 38 HZ3 LYS 4 HZ3 LYS 4 50.797 -6.870 21.041 39 H ASP 5 H ASP 5 42.439 -4.597 21.740 40 HA ASP 5 HA ASP 5 41.183 -6.701 20.091 41 HB2 ASP 5 HB2 ASP 5 39.912 -6.076 22.151 42 HB3 ASP 5 HB3 ASP 5 39.793 -4.431 21.534 43 H VAL 6 H VAL 6 41.789 -6.239 18.080 44 HA VAL 6 HA VAL 6 41.452 -3.468 17.122 45 HB VAL 6 HB VAL 6 43.316 -5.581 16.016 46 HG11 VAL 6 HG11 VAL 6 44.251 -3.727 14.690 47 HG12 VAL 6 HG12 VAL 6 42.992 -2.663 15.318 48 HG13 VAL 6 HG13 VAL 6 42.558 -4.039 14.304 49 HG21 VAL 6 HG21 VAL 6 45.133 -4.200 16.922 50 HG22 VAL 6 HG22 VAL 6 44.083 -4.818 18.196 51 HG23 VAL 6 HG23 VAL 6 43.943 -3.139 17.677 52 H VAL 7 H VAL 7 39.953 -3.162 15.602 53 HA VAL 7 HA VAL 7 39.195 -5.347 13.826 54 HB VAL 7 HB VAL 7 37.705 -5.515 15.826 55 HG11 VAL 7 HG11 VAL 7 36.718 -2.816 14.920 56 HG12 VAL 7 HG12 VAL 7 37.559 -3.175 16.428 57 HG13 VAL 7 HG13 VAL 7 35.948 -3.830 16.140 58 HG21 VAL 7 HG21 VAL 7 36.340 -4.758 13.249 59 HG22 VAL 7 HG22 VAL 7 35.615 -5.683 14.565 60 HG23 VAL 7 HG23 VAL 7 36.977 -6.349 13.664 61 H ASP 8 H ASP 8 38.260 -4.621 11.873 62 HA ASP 8 HA ASP 8 38.014 -1.718 11.548 63 HB2 ASP 8 HB2 ASP 8 40.331 -2.284 10.949 64 HB3 ASP 8 HB3 ASP 8 39.744 -3.478 9.797 65 H LYS 9 H LYS 9 36.091 -1.365 10.681 66 HA LYS 9 HA LYS 9 35.221 -2.982 8.412 67 HB2 LYS 9 HB2 LYS 9 34.241 -4.046 10.428 68 HB3 LYS 9 HB3 LYS 9 33.478 -2.518 10.842 69 HG2 LYS 9 HG2 LYS 9 32.198 -2.607 8.749 70 HG3 LYS 9 HG3 LYS 9 32.940 -4.165 8.381 71 HD2 LYS 9 HD2 LYS 9 31.987 -5.059 10.495 72 HD3 LYS 9 HD3 LYS 9 31.163 -3.517 10.732 73 HE2 LYS 9 HE2 LYS 9 29.967 -3.843 8.616 74 HE3 LYS 9 HE3 LYS 9 30.785 -5.386 8.391 75 HZ1 LYS 9 HZ1 LYS 9 28.786 -4.668 10.458 76 HZ2 LYS 9 HZ2 LYS 9 29.769 -6.037 10.592 77 HZ3 LYS 9 HZ3 LYS 9 28.695 -5.894 9.285 78 H CYS 10 H CYS 10 34.762 -1.555 6.852 79 HA CYS 10 HA CYS 10 33.035 0.699 7.479 80 HG CYS 10 HG CYS 10 33.778 3.674 7.212 81 HB2 CYS 10 HB2 CYS 10 35.337 1.582 7.743 82 HB3 CYS 10 HB3 CYS 10 35.690 1.104 6.087 83 H SER 11 H SER 11 31.457 -0.232 6.244 84 HA SER 11 HA SER 11 31.491 0.363 3.483 85 HG SER 11 HG SER 11 30.879 -2.866 4.843 86 HB2 SER 11 HB2 SER 11 31.172 -2.013 2.660 87 HB3 SER 11 HB3 SER 11 32.810 -1.619 3.181 88 H THR 12 H THR 12 29.539 1.335 3.686 89 HA THR 12 HA THR 12 27.203 -0.347 3.917 90 HB THR 12 HB THR 12 27.644 1.848 5.957 91 HG1 THR 12 HG1 THR 12 28.208 -0.766 6.012 92 HG21 THR 12 HG21 THR 12 25.324 1.787 5.151 93 HG22 THR 12 HG22 THR 12 25.440 1.248 6.825 94 HG23 THR 12 HG23 THR 12 25.238 0.066 5.531 95 H LYS 13 H LYS 13 26.052 0.301 2.230 96 HA LYS 13 HA LYS 13 25.138 2.989 1.954 97 HB2 LYS 13 HB2 LYS 13 26.112 3.488 -0.229 98 HB3 LYS 13 HB3 LYS 13 27.376 3.274 0.974 99 HG2 LYS 13 HG2 LYS 13 27.847 1.056 0.151 100 HG3 LYS 13 HG3 LYS 13 26.503 1.166 -0.988 101 HD2 LYS 13 HD2 LYS 13 27.645 3.100 -2.056 102 HD3 LYS 13 HD3 LYS 13 29.020 2.827 -0.983 103 HE2 LYS 13 HE2 LYS 13 29.343 0.615 -1.906 104 HE3 LYS 13 HE3 LYS 13 27.911 0.799 -2.919 105 HZ1 LYS 13 HZ1 LYS 13 30.441 2.345 -3.114 106 HZ2 LYS 13 HZ2 LYS 13 29.044 2.689 -4.009 107 HZ3 LYS 13 HZ3 LYS 13 29.849 1.212 -4.228 108 H GLY 14 H GLY 14 23.405 3.155 0.480 109 HA2 GLY 14 HA2 GLY 14 22.245 2.190 -1.460 110 HA3 GLY 14 HA3 GLY 14 22.648 0.606 -0.814 111 H CYS 15 H CYS 15 21.310 3.481 0.796 112 HA CYS 15 HA CYS 15 18.892 1.900 1.362 113 HG CYS 15 HG CYS 15 17.999 4.018 4.606 114 HB2 CYS 15 HB2 CYS 15 20.362 2.117 3.367 115 HB3 CYS 15 HB3 CYS 15 20.181 3.866 3.265 116 H ALA 16 H ALA 16 17.589 2.789 -0.147 117 HA ALA 16 HA ALA 16 16.838 5.595 0.264 118 HB1 ALA 16 HB1 ALA 16 17.502 4.440 -2.445 119 HB2 ALA 16 HB2 ALA 16 18.471 5.617 -1.558 120 HB3 ALA 16 HB3 ALA 16 16.860 6.053 -2.133 121 H ILE 17 H ILE 17 15.680 2.903 0.799 122 HA ILE 17 HA ILE 17 13.302 3.016 -0.921 123 HB ILE 17 HB ILE 17 12.773 0.775 0.214 124 HG12 ILE 17 HG12 ILE 17 14.958 -0.466 0.774 125 HG13 ILE 17 HG13 ILE 17 15.666 1.131 0.975 126 HG21 ILE 17 HG21 ILE 17 15.086 1.030 -1.696 127 HG22 ILE 17 HG22 ILE 17 13.373 0.977 -2.113 128 HG23 ILE 17 HG23 ILE 17 14.155 -0.442 -1.414 129 HD11 ILE 17 HD11 ILE 17 13.342 0.011 2.531 130 HD12 ILE 17 HD12 ILE 17 14.038 1.619 2.734 131 HD13 ILE 17 HD13 ILE 17 15.001 0.190 3.104 132 H ASP 18 H ASP 18 14.179 4.487 1.701 133 HA ASP 18 HA ASP 18 11.961 3.792 3.448 134 HB2 ASP 18 HB2 ASP 18 14.117 4.247 4.500 135 HB3 ASP 18 HB3 ASP 18 14.159 5.848 3.767 136 H ILE 19 H ILE 19 10.056 4.635 3.113 137 HA ILE 19 HA ILE 19 9.761 7.197 1.753 138 HB ILE 19 HB ILE 19 7.633 5.305 2.790 139 HG12 ILE 19 HG12 ILE 19 8.903 4.209 1.039 140 HG13 ILE 19 HG13 ILE 19 7.341 4.693 0.395 141 HG21 ILE 19 HG21 ILE 19 6.105 6.550 1.331 142 HG22 ILE 19 HG22 ILE 19 7.411 7.667 0.930 143 HG23 ILE 19 HG23 ILE 19 6.805 7.575 2.584 144 HD11 ILE 19 HD11 ILE 19 9.920 6.184 -0.018 145 HD12 ILE 19 HD12 ILE 19 8.351 6.588 -0.715 146 HD13 ILE 19 HD13 ILE 19 9.163 5.093 -1.180 147 H GLY 20 H GLY 20 9.660 5.810 4.912 148 HA2 GLY 20 HA2 GLY 20 9.710 6.921 6.953 149 HA3 GLY 20 HA3 GLY 20 9.392 8.433 6.110 150 H THR 21 H THR 21 7.595 5.384 6.132 151 HA THR 21 HA THR 21 5.371 6.733 7.473 152 HB THR 21 HB THR 21 4.989 5.105 4.950 153 HG1 THR 21 HG1 THR 21 5.675 7.717 5.296 154 HG21 THR 21 HG21 THR 21 3.086 6.857 6.511 155 HG22 THR 21 HG22 THR 21 3.094 5.094 6.524 156 HG23 THR 21 HG23 THR 21 2.705 5.962 5.039 157 H VAL 22 H VAL 22 4.734 5.523 9.127 158 HA VAL 22 HA VAL 22 4.373 2.674 8.821 159 HB VAL 22 HB VAL 22 6.709 2.760 9.542 160 HG11 VAL 22 HG11 VAL 22 6.694 4.917 10.672 161 HG12 VAL 22 HG12 VAL 22 7.351 3.657 11.716 162 HG13 VAL 22 HG13 VAL 22 5.706 4.240 11.967 163 HG21 VAL 22 HG21 VAL 22 6.544 1.337 11.530 164 HG22 VAL 22 HG22 VAL 22 5.356 0.897 10.303 165 HG23 VAL 22 HG23 VAL 22 4.857 1.816 11.723 166 H ILE 23 H ILE 23 2.730 1.926 10.100 167 HA ILE 23 HA ILE 23 1.313 3.977 11.619 168 HB ILE 23 HB ILE 23 0.281 1.219 10.934 169 HG12 ILE 23 HG12 ILE 23 -1.082 2.626 9.195 170 HG13 ILE 23 HG13 ILE 23 0.262 3.754 9.320 171 HG21 ILE 23 HG21 ILE 23 -1.918 2.260 11.300 172 HG22 ILE 23 HG22 ILE 23 -1.115 3.760 11.764 173 HG23 ILE 23 HG23 ILE 23 -0.901 2.307 12.740 174 HD11 ILE 23 HD11 ILE 23 0.443 0.862 8.503 175 HD12 ILE 23 HD12 ILE 23 1.803 1.980 8.637 176 HD13 ILE 23 HD13 ILE 23 0.543 2.261 7.433 177 H ASP 24 H ASP 24 0.768 0.644 12.351 178 HA ASP 24 HA ASP 24 2.515 0.621 14.666 179 HB2 ASP 24 HB2 ASP 24 -0.501 0.545 14.910 180 HB3 ASP 24 HB3 ASP 24 0.567 -0.068 16.165 181 H ASN 25 H ASN 25 -0.351 -1.314 14.576 182 HA ASN 25 HA ASN 25 1.032 -3.503 13.235 183 HB2 ASN 25 HB2 ASN 25 -0.105 -3.623 16.027 184 HB3 ASN 25 HB3 ASN 25 0.144 -5.066 15.048 185 HD21 ASN 25 HD21 ASN 25 2.232 -5.719 14.550 186 HD22 ASN 25 HD22 ASN 25 3.602 -5.134 15.433 187 H ASP 26 H ASP 26 -0.237 -4.490 11.847 188 HA ASP 26 HA ASP 26 -3.152 -4.373 12.209 189 HB2 ASP 26 HB2 ASP 26 -2.168 -3.186 10.161 190 HB3 ASP 26 HB3 ASP 26 -1.667 -4.773 9.591 191 H ASN 27 H ASN 27 -3.739 -6.413 10.364 192 HA ASN 27 HA ASN 27 -2.550 -8.727 11.709 193 HB2 ASN 27 HB2 ASN 27 -4.380 -10.049 10.707 194 HB3 ASN 27 HB3 ASN 27 -4.993 -8.717 11.675 195 HD21 ASN 27 HD21 ASN 27 -4.717 -10.073 8.508 196 HD22 ASN 27 HD22 ASN 27 -5.790 -8.966 7.714 197 H CYS 28 H CYS 28 -3.282 -7.492 8.508 198 HA CYS 28 HA CYS 28 -0.921 -7.777 7.239 199 HG CYS 28 HG CYS 28 -2.880 -11.796 6.078 200 HB2 CYS 28 HB2 CYS 28 -1.112 -9.925 5.972 201 HB3 CYS 28 HB3 CYS 28 -0.815 -10.148 7.692 202 H THR 29 H THR 29 -3.773 -6.664 7.317 203 HA THR 29 HA THR 29 -4.422 -7.005 4.466 204 HB THR 29 HB THR 29 -6.362 -6.374 6.701 205 HG1 THR 29 HG1 THR 29 -6.481 -8.784 5.277 206 HG21 THR 29 HG21 THR 29 -7.067 -5.486 4.541 207 HG22 THR 29 HG22 THR 29 -8.079 -6.855 5.001 208 HG23 THR 29 HG23 THR 29 -6.810 -7.063 3.793 209 H SER 30 H SER 30 -4.200 -5.246 3.278 210 HA SER 30 HA SER 30 -4.073 -2.628 4.587 211 HG SER 30 HG SER 30 -2.649 -1.091 3.205 212 HB2 SER 30 HB2 SER 30 -2.238 -3.304 3.033 213 HB3 SER 30 HB3 SER 30 -3.417 -3.400 1.727 214 H LYS 31 H LYS 31 -5.792 -1.334 4.547 215 HA LYS 31 HA LYS 31 -7.924 -1.938 2.605 216 HB2 LYS 31 HB2 LYS 31 -8.196 -0.478 5.238 217 HB3 LYS 31 HB3 LYS 31 -9.501 -0.909 4.147 218 HG2 LYS 31 HG2 LYS 31 -9.658 -2.507 5.807 219 HG3 LYS 31 HG3 LYS 31 -8.731 -3.344 4.560 220 HD2 LYS 31 HD2 LYS 31 -6.689 -2.949 5.714 221 HD3 LYS 31 HD3 LYS 31 -7.481 -1.864 6.853 222 HE2 LYS 31 HE2 LYS 31 -8.825 -3.778 7.672 223 HE3 LYS 31 HE3 LYS 31 -7.937 -4.836 6.578 224 HZ1 LYS 31 HZ1 LYS 31 -5.902 -4.306 7.758 225 HZ2 LYS 31 HZ2 LYS 31 -7.059 -4.909 8.835 226 HZ3 LYS 31 HZ3 LYS 31 -6.738 -3.247 8.783 227 H PHE 32 H PHE 32 -9.037 -0.213 1.671 228 HA PHE 32 HA PHE 32 -8.091 2.483 1.890 229 HD1 PHE 32 HD1 PHE 32 -6.070 3.984 0.950 230 HD2 PHE 32 HD2 PHE 32 -8.084 2.322 -2.409 231 HE1 PHE 32 HE1 PHE 32 -5.825 6.119 -0.248 232 HE2 PHE 32 HE2 PHE 32 -7.835 4.451 -3.616 233 HZ PHE 32 HZ PHE 32 -6.706 6.353 -2.533 234 HB2 PHE 32 HB2 PHE 32 -6.282 1.473 0.536 235 HB3 PHE 32 HB3 PHE 32 -7.475 0.940 -0.642 236 H SER 33 H SER 33 -9.864 3.671 1.593 237 HA SER 33 HA SER 33 -11.689 2.931 -0.587 238 HG SER 33 HG SER 33 -11.937 1.510 1.472 239 HB2 SER 33 HB2 SER 33 -12.691 4.079 2.027 240 HB3 SER 33 HB3 SER 33 -13.631 3.360 0.722 241 H ARG 34 H ARG 34 -11.345 4.509 -2.028 242 HA ARG 34 HA ARG 34 -11.217 7.275 -1.015 243 HE ARG 34 HE ARG 34 -8.529 10.509 -3.363 244 HB2 ARG 34 HB2 ARG 34 -9.158 6.407 -2.204 245 HB3 ARG 34 HB3 ARG 34 -10.133 6.306 -3.664 246 HG2 ARG 34 HG2 ARG 34 -10.553 8.713 -3.554 247 HG3 ARG 34 HG3 ARG 34 -9.579 8.813 -2.087 248 HD2 ARG 34 HD2 ARG 34 -7.653 7.906 -3.422 249 HD3 ARG 34 HD3 ARG 34 -8.656 8.088 -4.863 250 HH11 ARG 34 HH11 ARG 34 -6.760 8.565 -5.685 251 HH12 ARG 34 HH12 ARG 34 -5.822 9.909 -6.273 252 HH21 ARG 34 HH21 ARG 34 -7.282 12.254 -4.110 253 HH22 ARG 34 HH22 ARG 34 -6.114 11.998 -5.375 254 H PHE 35 H PHE 35 -12.518 8.819 -1.941 255 HA PHE 35 HA PHE 35 -14.772 7.795 -3.470 256 HD1 PHE 35 HD1 PHE 35 -16.955 7.981 -1.907 257 HD2 PHE 35 HD2 PHE 35 -13.879 10.256 -0.044 258 HE1 PHE 35 HE1 PHE 35 -17.683 7.156 0.294 259 HE2 PHE 35 HE2 PHE 35 -14.601 9.436 2.160 260 HZ PHE 35 HZ PHE 35 -16.505 7.882 2.332 261 HB2 PHE 35 HB2 PHE 35 -14.312 10.551 -2.305 262 HB3 PHE 35 HB3 PHE 35 -15.812 9.968 -3.019 263 H PHE 36 H PHE 36 -15.126 8.206 -5.559 264 HA PHE 36 HA PHE 36 -13.275 10.051 -6.926 265 HD1 PHE 36 HD1 PHE 36 -11.151 8.852 -8.644 266 HD2 PHE 36 HD2 PHE 36 -13.348 6.064 -6.299 267 HE1 PHE 36 HE1 PHE 36 -9.050 7.762 -7.976 268 HE2 PHE 36 HE2 PHE 36 -11.251 4.968 -5.630 269 HZ PHE 36 HZ PHE 36 -9.098 5.819 -6.466 270 HB2 PHE 36 HB2 PHE 36 -14.455 7.452 -7.925 271 HB3 PHE 36 HB3 PHE 36 -13.551 8.579 -8.929 272 H ALA 37 H ALA 37 -14.119 11.073 -8.864 273 HA ALA 37 HA ALA 37 -16.623 12.269 -8.453 274 HB1 ALA 37 HB1 ALA 37 -16.317 13.254 -10.677 275 HB2 ALA 37 HB2 ALA 37 -14.988 12.137 -10.987 276 HB3 ALA 37 HB3 ALA 37 -14.842 13.350 -9.716 277 H THR 38 H THR 38 -15.639 9.647 -10.639 278 HA THR 38 HA THR 38 -18.475 8.924 -10.875 279 HB THR 38 HB THR 38 -18.036 8.211 -13.243 280 HG1 THR 38 HG1 THR 38 -16.155 9.469 -14.164 281 HG21 THR 38 HG21 THR 38 -18.217 10.449 -14.213 282 HG22 THR 38 HG22 THR 38 -17.662 11.161 -12.700 283 HG23 THR 38 HG23 THR 38 -19.208 10.316 -12.760 284 H ARG 39 H ARG 39 -18.804 6.628 -11.458 285 HA ARG 39 HA ARG 39 -17.156 4.909 -9.953 286 HE ARG 39 HE ARG 39 -18.582 0.045 -11.876 287 HB2 ARG 39 HB2 ARG 39 -19.440 4.286 -10.335 288 HB3 ARG 39 HB3 ARG 39 -19.215 4.296 -12.078 289 HG2 ARG 39 HG2 ARG 39 -17.766 2.374 -11.947 290 HG3 ARG 39 HG3 ARG 39 -17.838 2.406 -10.185 291 HD2 ARG 39 HD2 ARG 39 -20.201 1.898 -10.242 292 HD3 ARG 39 HD3 ARG 39 -20.199 1.969 -12.006 293 HH11 ARG 39 HH11 ARG 39 -20.944 0.636 -9.352 294 HH12 ARG 39 HH12 ARG 39 -20.991 -1.028 -8.841 295 HH21 ARG 39 HH21 ARG 39 -18.646 -2.121 -11.216 296 HH22 ARG 39 HH22 ARG 39 -19.686 -2.604 -9.910 297 H GLU 40 H GLU 40 -17.114 5.866 -13.293 298 HA GLU 40 HA GLU 40 -15.367 4.018 -14.405 299 HB2 GLU 40 HB2 GLU 40 -15.476 6.999 -14.888 300 HB3 GLU 40 HB3 GLU 40 -14.750 5.808 -15.954 301 HG2 GLU 40 HG2 GLU 40 -16.888 4.814 -16.385 302 HG3 GLU 40 HG3 GLU 40 -17.657 5.862 -15.196 303 H GLU 41 H GLU 41 -14.660 7.057 -12.762 304 HA GLU 41 HA GLU 41 -11.883 6.993 -12.807 305 HB2 GLU 41 HB2 GLU 41 -13.773 8.133 -10.737 306 HB3 GLU 41 HB3 GLU 41 -12.054 8.480 -10.791 307 HG2 GLU 41 HG2 GLU 41 -14.014 9.099 -12.981 308 HG3 GLU 41 HG3 GLU 41 -13.407 10.254 -11.794 309 H ALA 42 H ALA 42 -14.156 5.339 -10.766 310 HA ALA 42 HA ALA 42 -12.239 4.542 -8.773 311 HB1 ALA 42 HB1 ALA 42 -15.009 3.462 -9.287 312 HB2 ALA 42 HB2 ALA 42 -14.621 4.820 -8.228 313 HB3 ALA 42 HB3 ALA 42 -14.034 3.202 -7.840 314 H GLU 43 H GLU 43 -13.999 2.855 -11.369 315 HA GLU 43 HA GLU 43 -12.786 0.349 -10.948 316 HB2 GLU 43 HB2 GLU 43 -13.968 1.418 -13.517 317 HB3 GLU 43 HB3 GLU 43 -13.718 -0.274 -13.109 318 HG2 GLU 43 HG2 GLU 43 -15.309 -0.002 -11.228 319 HG3 GLU 43 HG3 GLU 43 -15.619 1.643 -11.778 320 H SER 44 H SER 44 -11.888 3.121 -12.882 321 HA SER 44 HA SER 44 -9.867 1.904 -14.428 322 HG SER 44 HG SER 44 -9.068 3.805 -16.006 323 HB2 SER 44 HB2 SER 44 -10.927 4.128 -14.895 324 HB3 SER 44 HB3 SER 44 -10.023 4.795 -13.538 325 H PHE 45 H PHE 45 -9.926 3.126 -11.159 326 HA PHE 45 HA PHE 45 -7.078 3.278 -10.884 327 HD1 PHE 45 HD1 PHE 45 -5.899 4.758 -9.409 328 HD2 PHE 45 HD2 PHE 45 -8.447 2.728 -6.669 329 HE1 PHE 45 HE1 PHE 45 -4.148 4.892 -7.686 330 HE2 PHE 45 HE2 PHE 45 -6.698 2.859 -4.942 331 HZ PHE 45 HZ PHE 45 -4.545 3.940 -5.450 332 HB2 PHE 45 HB2 PHE 45 -8.595 4.664 -9.516 333 HB3 PHE 45 HB3 PHE 45 -9.235 3.210 -8.762 334 H MET 46 H MET 46 -9.600 0.964 -9.995 335 HA MET 46 HA MET 46 -7.960 -0.814 -8.558 336 HB2 MET 46 HB2 MET 46 -10.383 -0.871 -8.367 337 HB3 MET 46 HB3 MET 46 -10.535 -1.314 -10.061 338 HG2 MET 46 HG2 MET 46 -10.880 -3.228 -8.603 339 HG3 MET 46 HG3 MET 46 -9.461 -3.444 -9.624 340 HE1 MET 46 HE1 MET 46 -10.767 -2.645 -6.007 341 HE2 MET 46 HE2 MET 46 -9.779 -1.231 -6.376 342 HE3 MET 46 HE3 MET 46 -9.257 -2.371 -5.136 343 H THR 47 H THR 47 -8.381 -0.316 -11.954 344 HA THR 47 HA THR 47 -7.642 -2.747 -13.051 345 HB THR 47 HB THR 47 -6.782 -0.025 -14.057 346 HG1 THR 47 HG1 THR 47 -8.756 0.044 -15.098 347 HG21 THR 47 HG21 THR 47 -6.801 -1.074 -16.257 348 HG22 THR 47 HG22 THR 47 -7.283 -2.610 -15.537 349 HG23 THR 47 HG23 THR 47 -5.697 -1.928 -15.178 350 H LYS 48 H LYS 48 -5.512 -0.076 -12.034 351 HA LYS 48 HA LYS 48 -3.147 -1.515 -12.721 352 HB2 LYS 48 HB2 LYS 48 -1.942 0.345 -11.646 353 HB3 LYS 48 HB3 LYS 48 -3.090 0.863 -12.870 354 HG2 LYS 48 HG2 LYS 48 -4.701 1.274 -10.955 355 HG3 LYS 48 HG3 LYS 48 -3.301 1.100 -9.897 356 HD2 LYS 48 HD2 LYS 48 -3.630 3.093 -12.134 357 HD3 LYS 48 HD3 LYS 48 -3.669 3.427 -10.407 358 HE2 LYS 48 HE2 LYS 48 -1.354 2.819 -10.176 359 HE3 LYS 48 HE3 LYS 48 -1.291 2.283 -11.854 360 HZ1 LYS 48 HZ1 LYS 48 -1.682 5.069 -10.899 361 HZ2 LYS 48 HZ2 LYS 48 -1.773 4.590 -12.522 362 HZ3 LYS 48 HZ3 LYS 48 -0.308 4.446 -11.681 363 H LEU 49 H LEU 49 -5.058 -1.182 -9.839 364 HA LEU 49 HA LEU 49 -3.172 -2.155 -7.981 365 HG LEU 49 HG LEU 49 -5.916 -0.825 -5.915 366 HB2 LEU 49 HB2 LEU 49 -6.156 -2.008 -8.050 367 HB3 LEU 49 HB3 LEU 49 -5.394 -3.011 -6.831 368 HD11 LEU 49 HD11 LEU 49 -2.952 -1.157 -6.349 369 HD12 LEU 49 HD12 LEU 49 -3.912 -1.968 -5.112 370 HD13 LEU 49 HD13 LEU 49 -3.718 -0.216 -5.069 371 HD21 LEU 49 HD21 LEU 49 -4.136 0.269 -8.088 372 HD22 LEU 49 HD22 LEU 49 -4.818 1.196 -6.753 373 HD23 LEU 49 HD23 LEU 49 -5.882 0.482 -7.964 374 H LYS 50 H LYS 50 -5.260 -3.738 -10.287 375 HA LYS 50 HA LYS 50 -5.066 -6.391 -9.472 376 HB2 LYS 50 HB2 LYS 50 -5.625 -4.951 -11.964 377 HB3 LYS 50 HB3 LYS 50 -4.928 -6.540 -12.221 378 HG2 LYS 50 HG2 LYS 50 -7.377 -6.565 -12.249 379 HG3 LYS 50 HG3 LYS 50 -6.707 -7.576 -10.970 380 HD2 LYS 50 HD2 LYS 50 -7.222 -5.910 -9.313 381 HD3 LYS 50 HD3 LYS 50 -7.730 -4.767 -10.561 382 HE2 LYS 50 HE2 LYS 50 -9.640 -5.850 -9.443 383 HE3 LYS 50 HE3 LYS 50 -9.581 -6.196 -11.170 384 HZ1 LYS 50 HZ1 LYS 50 -10.086 -8.201 -10.006 385 HZ2 LYS 50 HZ2 LYS 50 -8.770 -8.011 -8.958 386 HZ3 LYS 50 HZ3 LYS 50 -8.506 -8.340 -10.598 387 H GLU 51 H GLU 51 -2.814 -4.429 -11.349 388 HA GLU 51 HA GLU 51 -0.929 -6.546 -11.763 389 HB2 GLU 51 HB2 GLU 51 -0.580 -3.550 -11.961 390 HB3 GLU 51 HB3 GLU 51 0.576 -4.746 -12.526 391 HG2 GLU 51 HG2 GLU 51 -1.056 -5.564 -14.137 392 HG3 GLU 51 HG3 GLU 51 -2.218 -4.366 -13.570 393 H LEU 52 H LEU 52 -1.073 -3.710 -9.658 394 HA LEU 52 HA LEU 52 1.442 -3.962 -8.493 395 HG LEU 52 HG LEU 52 -0.405 -1.683 -9.449 396 HB2 LEU 52 HB2 LEU 52 -1.070 -2.768 -7.322 397 HB3 LEU 52 HB3 LEU 52 0.551 -2.509 -6.705 398 HD11 LEU 52 HD11 LEU 52 0.115 -0.024 -6.986 399 HD12 LEU 52 HD12 LEU 52 -1.470 -0.388 -7.671 400 HD13 LEU 52 HD13 LEU 52 -0.319 0.589 -8.583 401 HD21 LEU 52 HD21 LEU 52 2.166 -1.079 -7.990 402 HD22 LEU 52 HD22 LEU 52 1.703 -0.481 -9.584 403 HD23 LEU 52 HD23 LEU 52 1.992 -2.204 -9.339 404 H ALA 53 H ALA 53 -1.667 -5.309 -7.429 405 HA ALA 53 HA ALA 53 -0.850 -6.244 -4.923 406 HB1 ALA 53 HB1 ALA 53 -2.798 -7.691 -4.992 407 HB2 ALA 53 HB2 ALA 53 -2.938 -7.454 -6.733 408 HB3 ALA 53 HB3 ALA 53 -3.200 -6.099 -5.636 409 H ALA 54 H ALA 54 -0.648 -7.757 -8.103 410 HA ALA 54 HA ALA 54 0.215 -10.293 -7.085 411 HB1 ALA 54 HB1 ALA 54 -1.017 -10.146 -9.176 412 HB2 ALA 54 HB2 ALA 54 0.565 -10.886 -9.429 413 HB3 ALA 54 HB3 ALA 54 0.292 -9.207 -9.895 414 H ALA 55 H ALA 55 1.788 -7.381 -8.178 415 HA ALA 55 HA ALA 55 4.379 -8.606 -8.466 416 HB1 ALA 55 HB1 ALA 55 3.614 -5.690 -8.391 417 HB2 ALA 55 HB2 ALA 55 3.744 -6.689 -9.838 418 HB3 ALA 55 HB3 ALA 55 5.181 -6.339 -8.878 419 H ALA 56 H ALA 56 2.649 -6.823 -6.000 420 HA ALA 56 HA ALA 56 4.979 -6.422 -4.346 421 HB1 ALA 56 HB1 ALA 56 3.400 -5.477 -2.732 422 HB2 ALA 56 HB2 ALA 56 2.053 -6.011 -3.736 423 HB3 ALA 56 HB3 ALA 56 3.173 -4.792 -4.341 424 H SER 57 H SER 57 2.186 -8.595 -4.362 425 HA SER 57 HA SER 57 2.995 -9.790 -1.852 426 HG SER 57 HG SER 57 0.090 -11.909 -2.331 427 HB2 SER 57 HB2 SER 57 0.614 -9.433 -2.265 428 HB3 SER 57 HB3 SER 57 0.697 -10.424 -3.720 429 H SER 58 H SER 58 4.206 -11.520 -1.648 430 HA SER 58 HA SER 58 5.280 -12.873 -3.938 431 HG SER 58 HG SER 58 6.264 -11.410 -1.387 432 HB2 SER 58 HB2 SER 58 5.582 -13.522 -0.999 433 HB3 SER 58 HB3 SER 58 6.618 -14.083 -2.310 434 H ALA 59 H ALA 59 2.332 -13.169 -2.916 435 HA ALA 59 HA ALA 59 2.170 -16.048 -2.544 436 HB1 ALA 59 HB1 ALA 59 -0.200 -15.675 -2.168 437 HB2 ALA 59 HB2 ALA 59 -0.030 -13.990 -2.658 438 HB3 ALA 59 HB3 ALA 59 0.763 -14.568 -1.192 439 H ASP 60 H ASP 60 2.930 -14.600 -5.123 440 HA ASP 60 HA ASP 60 2.882 -15.146 -7.324 441 HB2 ASP 60 HB2 ASP 60 1.112 -17.339 -6.292 442 HB3 ASP 60 HB3 ASP 60 1.317 -17.094 -8.019 443 H GLU 61 H GLU 61 -0.467 -15.691 -6.278 444 HA GLU 61 HA GLU 61 -1.373 -14.295 -8.675 445 HB2 GLU 61 HB2 GLU 61 -2.931 -15.909 -6.645 446 HB3 GLU 61 HB3 GLU 61 -3.527 -15.336 -8.199 447 HG2 GLU 61 HG2 GLU 61 -1.993 -16.747 -9.379 448 HG3 GLU 61 HG3 GLU 61 -1.211 -17.225 -7.874 449 H GLY 62 H GLY 62 -0.278 -12.792 -6.460 450 HA2 GLY 62 HA2 GLY 62 -0.800 -10.663 -5.672 451 HA3 GLY 62 HA3 GLY 62 -2.479 -10.938 -6.117 452 H ALA 63 H ALA 63 -3.631 -10.631 -4.326 453 HA ALA 63 HA ALA 63 -3.029 -12.258 -1.984 454 HB1 ALA 63 HB1 ALA 63 -3.425 -9.269 -1.807 455 HB2 ALA 63 HB2 ALA 63 -1.887 -10.107 -1.599 456 HB3 ALA 63 HB3 ALA 63 -3.201 -10.378 -0.454 457 H SER 64 H SER 64 -4.876 -11.977 -0.339 458 HA SER 64 HA SER 64 -7.351 -12.395 -1.725 459 HG SER 64 HG SER 64 -6.207 -14.120 -0.499 460 HB2 SER 64 HB2 SER 64 -6.672 -12.252 1.215 461 HB3 SER 64 HB3 SER 64 -8.271 -12.646 0.589 462 H VAL 65 H VAL 65 -8.164 -10.562 -2.661 463 HA VAL 65 HA VAL 65 -8.440 -8.231 -0.892 464 HB VAL 65 HB VAL 65 -7.067 -7.663 -2.777 465 HG11 VAL 65 HG11 VAL 65 -7.873 -7.794 -5.091 466 HG12 VAL 65 HG12 VAL 65 -9.317 -8.637 -4.530 467 HG13 VAL 65 HG13 VAL 65 -7.731 -9.385 -4.347 468 HG21 VAL 65 HG21 VAL 65 -8.616 -5.957 -1.992 469 HG22 VAL 65 HG22 VAL 65 -9.837 -6.528 -3.127 470 HG23 VAL 65 HG23 VAL 65 -8.344 -5.810 -3.729 471 H ALA 66 H ALA 66 -10.360 -8.038 -0.080 472 HA ALA 66 HA ALA 66 -12.713 -8.754 -1.662 473 HB1 ALA 66 HB1 ALA 66 -13.971 -8.315 0.423 474 HB2 ALA 66 HB2 ALA 66 -12.459 -7.888 1.225 475 HB3 ALA 66 HB3 ALA 66 -12.715 -9.534 0.645 476 H TYR 67 H TYR 67 -13.008 -7.161 -3.132 477 HA TYR 67 HA TYR 67 -12.944 -4.397 -2.130 478 HD1 TYR 67 HD1 TYR 67 -11.303 -7.260 -4.685 479 HD2 TYR 67 HD2 TYR 67 -12.926 -3.685 -6.329 480 HE1 TYR 67 HE1 TYR 67 -11.489 -8.360 -6.879 481 HE2 TYR 67 HE2 TYR 67 -13.128 -4.777 -8.522 482 HH TYR 67 HH TYR 67 -13.046 -7.985 -9.005 483 HB2 TYR 67 HB2 TYR 67 -11.985 -3.640 -4.187 484 HB3 TYR 67 HB3 TYR 67 -11.000 -4.969 -3.598 485 H LYS 68 H LYS 68 -14.322 -2.894 -3.190 486 HA LYS 68 HA LYS 68 -16.391 -3.973 -4.922 487 HB2 LYS 68 HB2 LYS 68 -18.235 -3.277 -3.550 488 HB3 LYS 68 HB3 LYS 68 -17.207 -4.328 -2.588 489 HG2 LYS 68 HG2 LYS 68 -16.214 -2.357 -1.513 490 HG3 LYS 68 HG3 LYS 68 -17.294 -1.321 -2.448 491 HD2 LYS 68 HD2 LYS 68 -18.281 -1.590 -0.300 492 HD3 LYS 68 HD3 LYS 68 -19.216 -2.577 -1.421 493 HE2 LYS 68 HE2 LYS 68 -18.884 -3.871 0.543 494 HE3 LYS 68 HE3 LYS 68 -17.832 -4.539 -0.704 495 HZ1 LYS 68 HZ1 LYS 68 -15.976 -3.309 0.267 496 HZ2 LYS 68 HZ2 LYS 68 -16.673 -4.364 1.397 497 HZ3 LYS 68 HZ3 LYS 68 -17.000 -2.704 1.478 498 H ILE 69 H ILE 69 -17.665 -2.342 -5.905 499 HA ILE 69 HA ILE 69 -16.458 0.350 -5.817 500 HB ILE 69 HB ILE 69 -17.740 -0.908 -8.253 501 HG12 ILE 69 HG12 ILE 69 -14.774 -0.645 -7.711 502 HG13 ILE 69 HG13 ILE 69 -15.672 -2.142 -7.491 503 HG21 ILE 69 HG21 ILE 69 -16.557 0.913 -9.427 504 HG22 ILE 69 HG22 ILE 69 -15.992 1.518 -7.868 505 HG23 ILE 69 HG23 ILE 69 -17.715 1.513 -8.240 506 HD11 ILE 69 HD11 ILE 69 -16.232 -2.154 -9.861 507 HD12 ILE 69 HD12 ILE 69 -14.488 -2.125 -9.602 508 HD13 ILE 69 HD13 ILE 69 -15.334 -0.652 -10.078 509 H LYS 70 H LYS 70 -17.931 1.612 -4.773 510 HA LYS 70 HA LYS 70 -20.745 0.772 -5.003 511 HB2 LYS 70 HB2 LYS 70 -19.759 0.526 -2.786 512 HB3 LYS 70 HB3 LYS 70 -19.341 2.229 -2.771 513 HG2 LYS 70 HG2 LYS 70 -21.680 2.835 -2.749 514 HG3 LYS 70 HG3 LYS 70 -22.143 1.132 -2.863 515 HD2 LYS 70 HD2 LYS 70 -21.186 0.657 -0.727 516 HD3 LYS 70 HD3 LYS 70 -20.450 2.256 -0.642 517 HE2 LYS 70 HE2 LYS 70 -22.733 3.237 -0.616 518 HE3 LYS 70 HE3 LYS 70 -23.387 1.599 -0.537 519 HZ1 LYS 70 HZ1 LYS 70 -21.474 2.705 1.437 520 HZ2 LYS 70 HZ2 LYS 70 -22.331 1.251 1.550 521 HZ3 LYS 70 HZ3 LYS 70 -23.152 2.731 1.654 522 H ASP 71 H ASP 71 -22.067 2.030 -5.988 523 HA ASP 71 HA ASP 71 -21.290 4.625 -6.932 524 HB2 ASP 71 HB2 ASP 71 -23.852 3.038 -7.179 525 HB3 ASP 71 HB3 ASP 71 -23.602 4.609 -7.922 526 H LEU 72 H LEU 72 -21.693 6.519 -5.964 527 HA LEU 72 HA LEU 72 -23.838 6.620 -3.944 528 HG LEU 72 HG LEU 72 -20.941 5.794 -3.192 529 HB2 LEU 72 HB2 LEU 72 -21.228 8.143 -3.938 530 HB3 LEU 72 HB3 LEU 72 -22.515 8.332 -2.762 531 HD11 LEU 72 HD11 LEU 72 -20.721 7.863 -1.013 532 HD12 LEU 72 HD12 LEU 72 -19.538 7.573 -2.288 533 HD13 LEU 72 HD13 LEU 72 -19.852 6.328 -1.078 534 HD21 LEU 72 HD21 LEU 72 -22.925 6.574 -1.059 535 HD22 LEU 72 HD22 LEU 72 -21.979 5.085 -1.088 536 HD23 LEU 72 HD23 LEU 72 -23.185 5.388 -2.340 537 H GLU 73 H GLU 73 -24.191 9.178 -3.512 538 HA GLU 73 HA GLU 73 -25.155 10.148 -6.072 539 HB2 GLU 73 HB2 GLU 73 -26.676 10.224 -4.167 540 HB3 GLU 73 HB3 GLU 73 -25.536 11.213 -3.265 541 HG2 GLU 73 HG2 GLU 73 -25.819 13.035 -4.826 542 HG3 GLU 73 HG3 GLU 73 -26.870 12.040 -5.835 543 H GLY 74 H GLY 74 -23.579 11.043 -7.249 544 HA2 GLY 74 HA2 GLY 74 -22.472 13.025 -7.892 545 HA3 GLY 74 HA3 GLY 74 -22.400 13.509 -6.203 546 H GLN 75 H GLN 75 -21.510 10.406 -6.143 547 HA GLN 75 HA GLN 75 -18.835 10.529 -7.122 548 HB2 GLN 75 HB2 GLN 75 -17.708 10.376 -4.924 549 HB3 GLN 75 HB3 GLN 75 -18.490 11.930 -5.166 550 HG2 GLN 75 HG2 GLN 75 -20.338 11.249 -3.750 551 HG3 GLN 75 HG3 GLN 75 -19.617 9.653 -3.549 552 HE21 GLN 75 HE21 GLN 75 -19.524 9.909 -1.314 553 HE22 GLN 75 HE22 GLN 75 -18.363 10.937 -0.557 554 H VAL 76 H VAL 76 -17.574 8.574 -6.111 555 HA VAL 76 HA VAL 76 -19.378 6.413 -5.282 556 HB VAL 76 HB VAL 76 -18.224 4.810 -6.763 557 HG11 VAL 76 HG11 VAL 76 -19.283 5.466 -8.873 558 HG12 VAL 76 HG12 VAL 76 -19.515 7.097 -8.244 559 HG13 VAL 76 HG13 VAL 76 -20.349 5.736 -7.494 560 HG21 VAL 76 HG21 VAL 76 -16.945 7.262 -7.959 561 HG22 VAL 76 HG22 VAL 76 -16.858 5.632 -8.628 562 HG23 VAL 76 HG23 VAL 76 -16.128 5.982 -7.061 563 H GLU 77 H GLU 77 -18.277 4.739 -4.091 564 HA GLU 77 HA GLU 77 -15.625 5.608 -3.177 565 HB2 GLU 77 HB2 GLU 77 -16.001 4.468 -1.089 566 HB3 GLU 77 HB3 GLU 77 -17.354 5.547 -1.398 567 HG2 GLU 77 HG2 GLU 77 -18.632 3.611 -2.229 568 HG3 GLU 77 HG3 GLU 77 -17.297 2.567 -1.768 569 H LEU 78 H LEU 78 -13.966 4.456 -3.687 570 HA LEU 78 HA LEU 78 -14.357 1.749 -4.719 571 HG LEU 78 HG LEU 78 -11.364 2.071 -6.843 572 HB2 LEU 78 HB2 LEU 78 -13.024 3.479 -6.002 573 HB3 LEU 78 HB3 LEU 78 -11.830 3.403 -4.724 574 HD11 LEU 78 HD11 LEU 78 -10.356 0.216 -5.639 575 HD12 LEU 78 HD12 LEU 78 -11.330 0.596 -4.220 576 HD13 LEU 78 HD13 LEU 78 -10.108 1.736 -4.780 577 HD21 LEU 78 HD21 LEU 78 -13.603 1.142 -7.127 578 HD22 LEU 78 HD22 LEU 78 -13.412 0.230 -5.629 579 HD23 LEU 78 HD23 LEU 78 -12.381 -0.124 -7.015 580 H ASP 79 H ASP 79 -14.260 0.218 -3.284 581 HA ASP 79 HA ASP 79 -12.647 0.633 -0.855 582 HB2 ASP 79 HB2 ASP 79 -14.931 0.375 -0.234 583 HB3 ASP 79 HB3 ASP 79 -15.160 -0.969 -1.349 584 H ALA 80 H ALA 80 -10.925 -0.608 -0.567 585 HA ALA 80 HA ALA 80 -10.880 -3.273 -1.787 586 HB1 ALA 80 HB1 ALA 80 -8.630 -1.275 -2.016 587 HB2 ALA 80 HB2 ALA 80 -9.704 -1.773 -3.324 588 HB3 ALA 80 HB3 ALA 80 -8.605 -2.943 -2.592 589 H ALA 81 H ALA 81 -10.052 -4.793 -0.489 590 HA ALA 81 HA ALA 81 -8.340 -3.968 1.745 591 HB1 ALA 81 HB1 ALA 81 -10.606 -5.950 1.960 592 HB2 ALA 81 HB2 ALA 81 -10.601 -4.316 2.624 593 HB3 ALA 81 HB3 ALA 81 -9.471 -5.521 3.241 594 H PHE 82 H PHE 82 -6.459 -4.770 1.023 595 HA PHE 82 HA PHE 82 -6.382 -7.418 -0.227 596 HD1 PHE 82 HD1 PHE 82 -5.594 -3.534 -0.710 597 HD2 PHE 82 HD2 PHE 82 -4.781 -7.050 -2.965 598 HE1 PHE 82 HE1 PHE 82 -6.273 -2.369 -2.766 599 HE2 PHE 82 HE2 PHE 82 -5.464 -5.892 -5.024 600 HZ PHE 82 HZ PHE 82 -6.211 -3.548 -4.928 601 HB2 PHE 82 HB2 PHE 82 -4.187 -5.361 0.164 602 HB3 PHE 82 HB3 PHE 82 -4.024 -6.864 -0.732 603 H THR 83 H THR 83 -6.240 -9.072 1.133 604 HA THR 83 HA THR 83 -4.675 -8.812 3.585 605 HB THR 83 HB THR 83 -6.344 -11.141 2.602 606 HG1 THR 83 HG1 THR 83 -7.791 -9.576 3.115 607 HG21 THR 83 HG21 THR 83 -4.574 -11.807 4.166 608 HG22 THR 83 HG22 THR 83 -6.170 -11.959 4.900 609 HG23 THR 83 HG23 THR 83 -5.136 -10.592 5.316 610 H PHE 84 H PHE 84 -2.578 -9.113 3.348 611 HA PHE 84 HA PHE 84 -1.558 -10.803 1.205 612 HD1 PHE 84 HD1 PHE 84 0.312 -9.110 -0.437 613 HD2 PHE 84 HD2 PHE 84 -1.438 -7.065 2.863 614 HE1 PHE 84 HE1 PHE 84 -0.129 -7.163 -1.878 615 HE2 PHE 84 HE2 PHE 84 -1.881 -5.116 1.427 616 HZ PHE 84 HZ PHE 84 -1.225 -5.166 -0.945 617 HB2 PHE 84 HB2 PHE 84 -0.100 -9.045 3.196 618 HB3 PHE 84 HB3 PHE 84 0.643 -9.882 1.838 619 H SER 85 H SER 85 0.378 -12.204 1.771 620 HA SER 85 HA SER 85 -0.405 -14.055 3.816 621 HG SER 85 HG SER 85 2.931 -14.300 1.559 622 HB2 SER 85 HB2 SER 85 1.742 -15.222 3.057 623 HB3 SER 85 HB3 SER 85 0.494 -15.002 1.829 624 H CYS 86 H CYS 86 1.762 -11.392 3.576 625 HA CYS 86 HA CYS 86 2.579 -11.811 6.351 626 HG CYS 86 HG CYS 86 3.665 -14.056 5.330 627 HB2 CYS 86 HB2 CYS 86 4.499 -11.088 4.122 628 HB3 CYS 86 HB3 CYS 86 4.899 -11.200 5.835 629 H GLN 87 H GLN 87 3.202 -9.849 7.425 630 HA GLN 87 HA GLN 87 1.643 -7.608 6.628 631 HB2 GLN 87 HB2 GLN 87 1.970 -8.019 8.970 632 HB3 GLN 87 HB3 GLN 87 3.717 -7.949 8.794 633 HG2 GLN 87 HG2 GLN 87 3.654 -5.604 8.366 634 HG3 GLN 87 HG3 GLN 87 1.895 -5.610 8.277 635 HE21 GLN 87 HE21 GLN 87 0.707 -5.875 10.201 636 HE22 GLN 87 HE22 GLN 87 1.420 -5.607 11.753 637 H ALA 88 H ALA 88 5.037 -8.449 6.359 638 HA ALA 88 HA ALA 88 6.099 -5.979 5.644 639 HB1 ALA 88 HB1 ALA 88 7.472 -7.945 6.081 640 HB2 ALA 88 HB2 ALA 88 7.864 -7.235 4.515 641 HB3 ALA 88 HB3 ALA 88 6.882 -8.696 4.599 642 H GLU 89 H GLU 89 4.429 -8.377 3.666 643 HA GLU 89 HA GLU 89 4.795 -7.170 1.155 644 HB2 GLU 89 HB2 GLU 89 2.366 -8.747 2.019 645 HB3 GLU 89 HB3 GLU 89 3.005 -8.579 0.392 646 HG2 GLU 89 HG2 GLU 89 4.415 -9.978 2.651 647 HG3 GLU 89 HG3 GLU 89 3.448 -10.779 1.415 648 H MET 90 H MET 90 2.536 -6.594 3.751 649 HA MET 90 HA MET 90 0.690 -5.000 2.297 650 HB2 MET 90 HB2 MET 90 0.107 -6.091 4.417 651 HB3 MET 90 HB3 MET 90 1.273 -5.082 5.263 652 HG2 MET 90 HG2 MET 90 -0.043 -3.092 4.529 653 HG3 MET 90 HG3 MET 90 -1.262 -4.201 3.907 654 HE1 MET 90 HE1 MET 90 -0.152 -3.668 8.349 655 HE2 MET 90 HE2 MET 90 0.467 -2.670 7.032 656 HE3 MET 90 HE3 MET 90 0.967 -4.356 7.173 657 H ILE 91 H ILE 91 3.350 -4.175 4.521 658 HA ILE 91 HA ILE 91 2.959 -1.391 4.243 659 HB ILE 91 HB ILE 91 5.407 -1.341 5.180 660 HG12 ILE 91 HG12 ILE 91 4.564 -4.143 5.928 661 HG13 ILE 91 HG13 ILE 91 5.766 -3.787 4.700 662 HG21 ILE 91 HG21 ILE 91 3.437 -0.662 6.406 663 HG22 ILE 91 HG22 ILE 91 4.488 -1.626 7.442 664 HG23 ILE 91 HG23 ILE 91 3.036 -2.346 6.746 665 HD11 ILE 91 HD11 ILE 91 7.175 -2.722 6.372 666 HD12 ILE 91 HD12 ILE 91 6.792 -4.384 6.825 667 HD13 ILE 91 HD13 ILE 91 5.958 -3.043 7.607 668 H ILE 92 H ILE 92 5.196 -3.652 2.604 669 HA ILE 92 HA ILE 92 6.603 -1.617 1.239 670 HB ILE 92 HB ILE 92 7.311 -3.354 -0.356 671 HG12 ILE 92 HG12 ILE 92 6.590 -5.769 0.593 672 HG13 ILE 92 HG13 ILE 92 5.106 -4.873 0.903 673 HG21 ILE 92 HG21 ILE 92 7.462 -4.140 2.542 674 HG22 ILE 92 HG22 ILE 92 8.546 -3.046 1.685 675 HG23 ILE 92 HG23 ILE 92 8.509 -4.757 1.265 676 HD11 ILE 92 HD11 ILE 92 5.025 -4.234 -1.465 677 HD12 ILE 92 HD12 ILE 92 4.994 -5.982 -1.237 678 HD13 ILE 92 HD13 ILE 92 6.481 -5.186 -1.756 679 H PHE 93 H PHE 93 3.571 -3.198 0.656 680 HA PHE 93 HA PHE 93 3.155 -2.405 -2.018 681 HD1 PHE 93 HD2 PHE 93 1.496 -3.701 -3.456 682 HD2 PHE 93 HD1 PHE 93 -0.917 -2.126 -0.320 683 HE1 PHE 93 HE2 PHE 93 -0.353 -3.383 -5.044 684 HE2 PHE 93 HE1 PHE 93 -2.771 -1.808 -1.906 685 HZ PHE 93 HZ PHE 93 -2.488 -2.437 -4.270 686 HB2 PHE 93 HB2 PHE 93 1.859 -4.170 -0.897 687 HB3 PHE 93 HB3 PHE 93 1.156 -2.976 0.182 688 H GLU 94 H GLU 94 2.081 -0.966 1.062 689 HA GLU 94 HA GLU 94 0.842 1.250 -0.225 690 HB2 GLU 94 HB2 GLU 94 0.652 2.184 2.091 691 HB3 GLU 94 HB3 GLU 94 -0.063 0.596 1.868 692 HG2 GLU 94 HG2 GLU 94 1.847 -0.442 2.935 693 HG3 GLU 94 HG3 GLU 94 2.628 1.130 3.108 694 H LEU 95 H LEU 95 4.046 0.678 1.059 695 HA LEU 95 HA LEU 95 4.931 3.353 1.095 696 HG LEU 95 HG LEU 95 5.619 0.965 2.906 697 HB2 LEU 95 HB2 LEU 95 6.442 0.786 0.609 698 HB3 LEU 95 HB3 LEU 95 7.221 2.349 0.753 699 HD11 LEU 95 HD11 LEU 95 8.574 1.524 2.707 700 HD12 LEU 95 HD12 LEU 95 7.809 -0.049 2.490 701 HD13 LEU 95 HD13 LEU 95 7.743 0.753 4.058 702 HD21 LEU 95 HD21 LEU 95 7.075 3.606 2.931 703 HD22 LEU 95 HD22 LEU 95 6.412 2.800 4.354 704 HD23 LEU 95 HD23 LEU 95 5.334 3.357 3.073 705 H SER 96 H SER 96 5.211 0.869 -1.449 706 HA SER 96 HA SER 96 6.279 2.505 -3.439 707 HG SER 96 HG SER 96 7.265 0.343 -4.090 708 HB2 SER 96 HB2 SER 96 4.471 0.092 -3.669 709 HB3 SER 96 HB3 SER 96 5.293 0.839 -5.037 710 H LEU 97 H LEU 97 2.891 1.922 -2.567 711 HA LEU 97 HA LEU 97 1.668 3.321 -4.644 712 HG LEU 97 HG LEU 97 0.902 0.888 -2.736 713 HB2 LEU 97 HB2 LEU 97 0.792 3.113 -1.760 714 HB3 LEU 97 HB3 LEU 97 -0.222 3.671 -3.075 715 HD11 LEU 97 HD11 LEU 97 -1.446 0.256 -2.480 716 HD12 LEU 97 HD12 LEU 97 -1.912 1.953 -2.591 717 HD13 LEU 97 HD13 LEU 97 -0.938 1.394 -1.230 718 HD21 LEU 97 HD21 LEU 97 -0.400 0.312 -4.715 719 HD22 LEU 97 HD22 LEU 97 0.824 1.525 -5.096 720 HD23 LEU 97 HD23 LEU 97 -0.865 2.000 -4.912 721 H ARG 98 H ARG 98 2.750 4.502 -1.474 722 HA ARG 98 HA ARG 98 1.961 7.190 -1.973 723 HE ARG 98 HE ARG 98 0.164 7.000 2.877 724 HB2 ARG 98 HB2 ARG 98 3.779 5.962 0.090 725 HB3 ARG 98 HB3 ARG 98 3.415 7.681 0.040 726 HG2 ARG 98 HG2 ARG 98 1.054 7.209 0.351 727 HG3 ARG 98 HG3 ARG 98 1.393 5.477 0.345 728 HD2 ARG 98 HD2 ARG 98 2.770 5.729 2.331 729 HD3 ARG 98 HD3 ARG 98 2.467 7.465 2.340 730 HH11 ARG 98 HH11 ARG 98 2.323 4.249 3.067 731 HH12 ARG 98 HH12 ARG 98 1.293 3.341 4.136 732 HH21 ARG 98 HH21 ARG 98 -1.182 5.840 4.283 733 HH22 ARG 98 HH22 ARG 98 -0.710 4.253 4.823 734 H SER 99 H SER 99 4.895 5.362 -2.507 735 HA SER 99 HA SER 99 6.612 7.558 -2.975 736 HG SER 99 HG SER 99 8.460 6.977 -4.107 737 HB2 SER 99 HB2 SER 99 7.372 5.213 -2.554 738 HB3 SER 99 HB3 SER 99 6.804 4.780 -4.166 739 H LEU 100 H LEU 100 4.294 5.876 -4.956 740 HA LEU 100 HA LEU 100 5.137 7.203 -7.392 741 HG LEU 100 HG LEU 100 3.685 6.633 -9.363 742 HB2 LEU 100 HB2 LEU 100 4.305 4.902 -7.436 743 HB3 LEU 100 HB3 LEU 100 2.765 5.429 -6.799 744 HD11 LEU 100 HD11 LEU 100 4.163 4.228 -9.619 745 HD12 LEU 100 HD12 LEU 100 2.828 4.756 -10.642 746 HD13 LEU 100 HD13 LEU 100 2.499 3.864 -9.156 747 HD21 LEU 100 HD21 LEU 100 1.304 6.580 -9.859 748 HD22 LEU 100 HD22 LEU 100 1.583 7.334 -8.289 749 HD23 LEU 100 HD23 LEU 100 0.997 5.674 -8.378 750 H ALA 101 H ALA 101 2.327 7.214 -5.243 751 HA ALA 101 HA ALA 101 1.096 9.405 -6.669 752 HB1 ALA 101 HB1 ALA 101 -0.725 9.123 -5.063 753 HB2 ALA 101 HB2 ALA 101 0.257 7.985 -4.140 754 HB3 ALA 101 HB3 ALA 101 -0.262 7.578 -5.777 755 H LEU 102 H LEU 102 3.696 9.831 -5.270 756 HA LEU 102 HA LEU 102 3.433 11.351 -2.951 757 HG LEU 102 HG LEU 102 5.650 9.612 -3.585 758 HB2 LEU 102 HB2 LEU 102 5.384 11.465 -5.229 759 HB3 LEU 102 HB3 LEU 102 5.483 12.610 -3.907 760 HD11 LEU 102 HD11 LEU 102 7.834 11.693 -3.584 761 HD12 LEU 102 HD12 LEU 102 7.563 10.476 -4.831 762 HD13 LEU 102 HD13 LEU 102 8.035 9.983 -3.204 763 HD21 LEU 102 HD21 LEU 102 6.214 11.860 -1.655 764 HD22 LEU 102 HD22 LEU 102 6.419 10.138 -1.336 765 HD23 LEU 102 HD23 LEU 102 4.807 10.799 -1.613 766 H GLU 103 H GLU 103 3.931 12.726 -6.188 767 HA GLU 103 HA GLU 103 3.389 14.702 -7.134 768 HB2 GLU 103 HB2 GLU 103 1.031 14.518 -5.261 769 HB3 GLU 103 HB3 GLU 103 1.212 15.778 -6.475 770 HG2 GLU 103 HG2 GLU 103 1.384 13.932 -8.186 771 HG3 GLU 103 HG3 GLU 103 0.877 12.824 -6.909 772 H HIS 104 H HIS 104 2.485 15.178 -3.720 773 HA HIS 104 HA HIS 104 4.307 17.489 -3.668 774 HD1 HIS 104 HD1 HIS 104 0.064 16.779 -3.566 775 HD2 HIS 104 HD2 HIS 104 1.893 16.369 0.156 776 HE1 HIS 104 HE1 HIS 104 -1.539 15.445 -2.156 777 HE2 HIS 104 HE2 HIS 104 -0.470 15.314 0.125 778 HB2 HIS 104 HB2 HIS 104 2.923 18.253 -1.688 779 HB3 HIS 104 HB3 HIS 104 2.113 18.296 -3.244 780 H HIS 105 H HIS 105 6.177 16.611 -3.030 781 HA HIS 105 HA HIS 105 6.342 14.644 -0.964 782 HD1 HIS 105 HD1 HIS 105 10.694 16.454 -1.463 783 HD2 HIS 105 HD2 HIS 105 7.432 17.567 -3.788 784 HE1 HIS 105 HE1 HIS 105 11.382 18.573 -2.630 785 HE2 HIS 105 HE2 HIS 105 9.320 19.327 -3.874 786 HB2 HIS 105 HB2 HIS 105 8.793 14.928 -1.148 787 HB3 HIS 105 HB3 HIS 105 8.035 14.657 -2.710 788 H HIS 106 H HIS 106 5.347 15.482 0.826 789 HA HIS 106 HA HIS 106 6.680 17.761 2.121 790 HD1 HIS 106 HD1 HIS 106 3.429 18.384 4.472 791 HD2 HIS 106 HD2 HIS 106 5.517 20.806 1.804 792 HE1 HIS 106 HE1 HIS 106 3.547 20.652 5.557 793 HE2 HIS 106 HE2 HIS 106 4.634 22.142 3.837 794 HB2 HIS 106 HB2 HIS 106 4.514 18.348 0.893 795 HB3 HIS 106 HB3 HIS 106 3.688 17.375 2.102 796 H HIS 107 H HIS 107 7.627 16.702 3.797 797 HA HIS 107 HA HIS 107 5.866 15.090 5.528 798 HD1 HIS 107 HD1 HIS 107 9.905 12.884 4.582 799 HD2 HIS 107 HD2 HIS 107 5.769 13.180 4.198 800 HE1 HIS 107 HE1 HIS 107 9.216 10.957 3.121 801 HE2 HIS 107 HE2 HIS 107 6.737 11.258 2.758 802 HB2 HIS 107 HB2 HIS 107 8.886 15.180 5.337 803 HB3 HIS 107 HB3 HIS 107 8.014 14.321 6.605 804 H HIS 108 H HIS 108 4.984 17.258 6.054 805 HA HIS 108 HA HIS 108 4.667 19.012 7.427 806 HD1 HIS 108 HD1 HIS 108 5.757 15.687 10.169 807 HD2 HIS 108 HD2 HIS 108 3.017 18.720 9.407 808 HE1 HIS 108 HE1 HIS 108 3.549 14.834 11.009 809 HE2 HIS 108 HE2 HIS 108 1.882 16.630 10.428 810 HB2 HIS 108 HB2 HIS 108 6.804 17.610 9.021 811 HB3 HIS 108 HB3 HIS 108 6.076 19.121 9.557 812 H HIS 109 H HIS 109 5.831 20.994 8.414 813 HA HIS 109 HA HIS 109 8.287 21.683 7.048 814 HD1 HIS 109 HD1 HIS 109 8.409 22.567 3.904 815 HD2 HIS 109 HD2 HIS 109 7.375 25.638 6.512 816 HE1 HIS 109 HE1 HIS 109 9.695 24.577 3.123 817 HE2 HIS 109 HE2 HIS 109 9.148 26.391 4.782 818 HB2 HIS 109 HB2 HIS 109 6.414 22.015 5.367 819 HB3 HIS 109 HB3 HIS 109 5.792 23.273 6.427 Start of MODEL 7 1 HA MET 1 HA MET 1 62.440 16.533 6.463 2 H1 MET 1 H1 MET 1 64.350 16.687 4.206 3 H2 MET 1 H2 MET 1 64.373 15.586 5.497 4 H3 MET 1 H3 MET 1 64.660 17.234 5.780 5 HB2 MET 1 HB2 MET 1 61.231 18.361 5.369 6 HB3 MET 1 HB3 MET 1 62.849 18.866 5.828 7 HG2 MET 1 HG2 MET 1 63.591 18.568 3.514 8 HG3 MET 1 HG3 MET 1 61.958 18.080 3.064 9 HE1 MET 1 HE1 MET 1 63.537 20.405 1.580 10 HE2 MET 1 HE2 MET 1 62.272 21.626 1.430 11 HE3 MET 1 HE3 MET 1 61.893 19.925 1.156 12 H ALA 2 H ALA 2 60.486 15.563 5.979 13 HA ALA 2 HA ALA 2 60.567 13.937 3.551 14 HB1 ALA 2 HB1 ALA 2 60.289 12.776 5.691 15 HB2 ALA 2 HB2 ALA 2 58.906 12.531 4.623 16 HB3 ALA 2 HB3 ALA 2 58.789 13.665 5.969 17 H MET 3 H MET 3 58.558 13.512 2.421 18 HA MET 3 HA MET 3 56.434 15.469 2.688 19 HB2 MET 3 HB2 MET 3 56.441 15.956 0.252 20 HB3 MET 3 HB3 MET 3 57.875 16.558 1.069 21 HG2 MET 3 HG2 MET 3 59.124 14.595 0.259 22 HG3 MET 3 HG3 MET 3 57.685 14.067 -0.610 23 HE1 MET 3 HE1 MET 3 60.088 15.302 -3.468 24 HE2 MET 3 HE2 MET 3 59.156 13.944 -2.838 25 HE3 MET 3 HE3 MET 3 60.575 14.521 -1.963 26 H LYS 4 H LYS 4 54.452 14.647 2.044 27 HA LYS 4 HA LYS 4 54.488 11.862 1.085 28 HB2 LYS 4 HB2 LYS 4 52.888 12.985 3.389 29 HB3 LYS 4 HB3 LYS 4 52.588 11.412 2.664 30 HG2 LYS 4 HG2 LYS 4 54.794 10.654 3.314 31 HG3 LYS 4 HG3 LYS 4 55.171 12.250 3.967 32 HD2 LYS 4 HD2 LYS 4 53.406 12.012 5.620 33 HD3 LYS 4 HD3 LYS 4 52.959 10.445 4.941 34 HE2 LYS 4 HE2 LYS 4 55.086 9.512 5.566 35 HE3 LYS 4 HE3 LYS 4 55.665 11.089 6.105 36 HZ1 LYS 4 HZ1 LYS 4 54.042 11.092 7.855 37 HZ2 LYS 4 HZ2 LYS 4 54.933 9.649 7.943 38 HZ3 LYS 4 HZ3 LYS 4 53.363 9.639 7.299 39 H ASP 5 H ASP 5 53.539 11.865 -0.815 40 HA ASP 5 HA ASP 5 51.160 13.551 -1.210 41 HB2 ASP 5 HB2 ASP 5 52.943 13.976 -2.818 42 HB3 ASP 5 HB3 ASP 5 53.007 12.268 -3.237 43 H VAL 6 H VAL 6 50.120 11.887 0.149 44 HA VAL 6 HA VAL 6 49.189 9.618 -1.486 45 HB VAL 6 HB VAL 6 49.468 9.591 1.515 46 HG11 VAL 6 HG11 VAL 6 49.108 7.177 1.284 47 HG12 VAL 6 HG12 VAL 6 48.899 7.386 -0.454 48 HG13 VAL 6 HG13 VAL 6 47.744 8.110 0.665 49 HG21 VAL 6 HG21 VAL 6 51.695 9.687 0.530 50 HG22 VAL 6 HG22 VAL 6 51.292 8.342 -0.539 51 HG23 VAL 6 HG23 VAL 6 51.386 8.084 1.202 52 H VAL 7 H VAL 7 47.292 10.487 -2.139 53 HA VAL 7 HA VAL 7 45.300 11.064 -0.077 54 HB VAL 7 HB VAL 7 45.762 12.965 -2.385 55 HG11 VAL 7 HG11 VAL 7 44.083 14.353 -1.281 56 HG12 VAL 7 HG12 VAL 7 43.878 13.121 -0.036 57 HG13 VAL 7 HG13 VAL 7 43.426 12.771 -1.703 58 HG21 VAL 7 HG21 VAL 7 47.544 13.223 -0.760 59 HG22 VAL 7 HG22 VAL 7 46.365 13.334 0.547 60 HG23 VAL 7 HG23 VAL 7 46.444 14.599 -0.681 61 H ASP 8 H ASP 8 43.973 9.382 -0.590 62 HA ASP 8 HA ASP 8 42.496 9.819 -3.076 63 HB2 ASP 8 HB2 ASP 8 42.210 7.460 -3.525 64 HB3 ASP 8 HB3 ASP 8 43.926 7.828 -3.460 65 H LYS 9 H LYS 9 40.338 9.733 -2.886 66 HA LYS 9 HA LYS 9 39.165 8.723 -0.411 67 HB2 LYS 9 HB2 LYS 9 39.589 11.075 0.049 68 HB3 LYS 9 HB3 LYS 9 38.794 11.541 -1.447 69 HG2 LYS 9 HG2 LYS 9 36.672 10.711 -0.594 70 HG3 LYS 9 HG3 LYS 9 37.461 10.203 0.900 71 HD2 LYS 9 HD2 LYS 9 38.008 12.485 1.444 72 HD3 LYS 9 HD3 LYS 9 37.395 13.041 -0.114 73 HE2 LYS 9 HE2 LYS 9 35.147 12.328 0.499 74 HE3 LYS 9 HE3 LYS 9 35.748 11.725 2.043 75 HZ1 LYS 9 HZ1 LYS 9 34.694 13.955 2.151 76 HZ2 LYS 9 HZ2 LYS 9 35.955 14.558 1.188 77 HZ3 LYS 9 HZ3 LYS 9 36.291 13.920 2.722 78 H CYS 10 H CYS 10 37.746 7.298 -1.112 79 HA CYS 10 HA CYS 10 36.065 8.008 -3.425 80 HG CYS 10 HG CYS 10 38.491 5.323 -1.583 81 HB2 CYS 10 HB2 CYS 10 35.869 5.518 -3.779 82 HB3 CYS 10 HB3 CYS 10 37.475 6.182 -4.061 83 H SER 11 H SER 11 35.328 8.869 -0.938 84 HA SER 11 HA SER 11 33.775 7.053 0.566 85 HG SER 11 HG SER 11 35.318 8.280 1.695 86 HB2 SER 11 HB2 SER 11 33.579 10.069 0.441 87 HB3 SER 11 HB3 SER 11 32.916 9.040 1.712 88 H THR 12 H THR 12 32.459 5.948 -0.831 89 HA THR 12 HA THR 12 29.879 7.031 -1.341 90 HB THR 12 HB THR 12 30.265 6.256 -3.913 91 HG1 THR 12 HG1 THR 12 32.709 6.578 -2.986 92 HG21 THR 12 HG21 THR 12 30.238 8.622 -4.519 93 HG22 THR 12 HG22 THR 12 30.693 9.059 -2.872 94 HG23 THR 12 HG23 THR 12 29.128 8.305 -3.184 95 H LYS 13 H LYS 13 28.815 5.293 -0.580 96 HA LYS 13 HA LYS 13 29.434 2.704 -1.830 97 HB2 LYS 13 HB2 LYS 13 28.711 3.271 1.040 98 HB3 LYS 13 HB3 LYS 13 28.533 1.673 0.328 99 HG2 LYS 13 HG2 LYS 13 30.947 1.708 -0.229 100 HG3 LYS 13 HG3 LYS 13 31.082 3.248 0.615 101 HD2 LYS 13 HD2 LYS 13 29.938 0.867 2.017 102 HD3 LYS 13 HD3 LYS 13 31.684 1.030 1.844 103 HE2 LYS 13 HE2 LYS 13 31.041 1.930 3.965 104 HE3 LYS 13 HE3 LYS 13 31.524 3.262 2.920 105 HZ1 LYS 13 HZ1 LYS 13 28.709 2.453 3.421 106 HZ2 LYS 13 HZ2 LYS 13 29.236 3.814 2.556 107 HZ3 LYS 13 HZ3 LYS 13 29.513 3.714 4.223 108 H GLY 14 H GLY 14 27.397 1.173 -1.271 109 HA2 GLY 14 HA2 GLY 14 25.401 2.316 -2.975 110 HA3 GLY 14 HA3 GLY 14 25.389 0.699 -2.291 111 H CYS 15 H CYS 15 23.952 3.718 -2.240 112 HA CYS 15 HA CYS 15 22.768 3.368 0.399 113 HG CYS 15 HG CYS 15 21.958 6.595 1.353 114 HB2 CYS 15 HB2 CYS 15 23.378 5.643 -0.543 115 HB3 CYS 15 HB3 CYS 15 22.066 5.434 -1.695 116 H ALA 16 H ALA 16 20.291 3.446 0.491 117 HA ALA 16 HA ALA 16 19.112 1.941 -1.730 118 HB1 ALA 16 HB1 ALA 16 20.054 0.275 -0.214 119 HB2 ALA 16 HB2 ALA 16 18.292 0.203 -0.225 120 HB3 ALA 16 HB3 ALA 16 19.135 0.967 1.123 121 H ILE 17 H ILE 17 16.806 1.175 -0.523 122 HA ILE 17 HA ILE 17 14.727 1.716 0.044 123 HB ILE 17 HB ILE 17 14.217 3.083 1.842 124 HG12 ILE 17 HG12 ILE 17 16.752 4.679 1.380 125 HG13 ILE 17 HG13 ILE 17 15.121 5.209 0.977 126 HG21 ILE 17 HG21 ILE 17 15.632 1.269 2.521 127 HG22 ILE 17 HG22 ILE 17 15.992 2.686 3.508 128 HG23 ILE 17 HG23 ILE 17 17.078 2.226 2.197 129 HD11 ILE 17 HD11 ILE 17 15.877 6.229 3.037 130 HD12 ILE 17 HD12 ILE 17 16.175 4.637 3.736 131 HD13 ILE 17 HD13 ILE 17 14.528 5.137 3.351 132 H ASP 18 H ASP 18 13.021 2.701 -0.772 133 HA ASP 18 HA ASP 18 13.446 4.972 -2.575 134 HB2 ASP 18 HB2 ASP 18 12.312 3.094 -3.589 135 HB3 ASP 18 HB3 ASP 18 11.174 2.997 -2.252 136 H ILE 19 H ILE 19 11.006 3.869 -0.225 137 HA ILE 19 HA ILE 19 10.773 6.627 0.760 138 HB ILE 19 HB ILE 19 9.048 4.228 1.418 139 HG12 ILE 19 HG12 ILE 19 8.832 4.908 -0.944 140 HG13 ILE 19 HG13 ILE 19 7.362 5.235 -0.040 141 HG21 ILE 19 HG21 ILE 19 9.085 5.898 3.193 142 HG22 ILE 19 HG22 ILE 19 7.514 5.871 2.393 143 HG23 ILE 19 HG23 ILE 19 8.665 7.158 2.033 144 HD11 ILE 19 HD11 ILE 19 7.885 7.048 -1.565 145 HD12 ILE 19 HD12 ILE 19 9.459 7.258 -0.797 146 HD13 ILE 19 HD13 ILE 19 7.983 7.595 0.109 147 H GLY 20 H GLY 20 11.109 3.276 1.866 148 HA2 GLY 20 HA2 GLY 20 12.654 2.410 3.348 149 HA3 GLY 20 HA3 GLY 20 13.267 4.031 3.611 150 H THR 21 H THR 21 11.815 5.461 4.953 151 HA THR 21 HA THR 21 11.469 4.012 7.405 152 HB THR 21 HB THR 21 12.601 6.179 7.414 153 HG1 THR 21 HG1 THR 21 10.840 7.141 9.016 154 HG21 THR 21 HG21 THR 21 11.349 7.315 5.652 155 HG22 THR 21 HG22 THR 21 11.337 8.265 7.139 156 HG23 THR 21 HG23 THR 21 9.910 7.337 6.673 157 H VAL 22 H VAL 22 9.683 3.314 8.281 158 HA VAL 22 HA VAL 22 7.186 4.612 8.199 159 HB VAL 22 HB VAL 22 7.089 3.748 5.891 160 HG11 VAL 22 HG11 VAL 22 6.960 1.329 5.473 161 HG12 VAL 22 HG12 VAL 22 7.368 1.027 7.162 162 HG13 VAL 22 HG13 VAL 22 8.534 1.815 6.099 163 HG21 VAL 22 HG21 VAL 22 5.011 3.967 7.116 164 HG22 VAL 22 HG22 VAL 22 5.210 2.349 7.791 165 HG23 VAL 22 HG23 VAL 22 4.944 2.556 6.060 166 H ILE 23 H ILE 23 5.966 3.892 9.889 167 HA ILE 23 HA ILE 23 6.638 1.253 11.008 168 HB ILE 23 HB ILE 23 6.082 3.742 12.636 169 HG12 ILE 23 HG12 ILE 23 8.602 2.099 12.313 170 HG13 ILE 23 HG13 ILE 23 8.346 3.725 11.692 171 HG21 ILE 23 HG21 ILE 23 5.143 1.703 13.632 172 HG22 ILE 23 HG22 ILE 23 6.483 2.346 14.582 173 HG23 ILE 23 HG23 ILE 23 6.733 0.943 13.543 174 HD11 ILE 23 HD11 ILE 23 8.436 2.923 14.590 175 HD12 ILE 23 HD12 ILE 23 8.142 4.555 13.987 176 HD13 ILE 23 HD13 ILE 23 9.696 3.772 13.695 177 H ASP 24 H ASP 24 4.873 0.262 10.128 178 HA ASP 24 HA ASP 24 2.322 0.905 11.402 179 HB2 ASP 24 HB2 ASP 24 2.258 2.051 9.207 180 HB3 ASP 24 HB3 ASP 24 2.599 0.520 8.408 181 H ASN 25 H ASN 25 1.469 -0.915 12.200 182 HA ASN 25 HA ASN 25 1.508 -3.369 10.778 183 HB2 ASN 25 HB2 ASN 25 2.922 -4.710 12.185 184 HB3 ASN 25 HB3 ASN 25 3.864 -3.331 11.634 185 HD21 ASN 25 HD21 ASN 25 2.504 -4.979 14.315 186 HD22 ASN 25 HD22 ASN 25 3.199 -3.998 15.554 187 H ASP 26 H ASP 26 -0.262 -4.370 11.283 188 HA ASP 26 HA ASP 26 -1.139 -4.669 14.023 189 HB2 ASP 26 HB2 ASP 26 -2.219 -2.541 13.347 190 HB3 ASP 26 HB3 ASP 26 -2.944 -3.359 11.968 191 H ASN 27 H ASN 27 -2.269 -4.971 10.678 192 HA ASN 27 HA ASN 27 -2.320 -7.857 10.906 193 HB2 ASN 27 HB2 ASN 27 -4.653 -8.089 10.225 194 HB3 ASN 27 HB3 ASN 27 -4.555 -7.191 11.736 195 HD21 ASN 27 HD21 ASN 27 -5.049 -4.989 11.753 196 HD22 ASN 27 HD22 ASN 27 -5.916 -4.248 10.444 197 H CYS 28 H CYS 28 -3.243 -8.706 8.626 198 HA CYS 28 HA CYS 28 -1.617 -7.215 6.690 199 HG CYS 28 HG CYS 28 -0.117 -11.036 7.591 200 HB2 CYS 28 HB2 CYS 28 -2.441 -10.125 6.706 201 HB3 CYS 28 HB3 CYS 28 -1.401 -9.362 5.507 202 H THR 29 H THR 29 -4.516 -6.770 7.363 203 HA THR 29 HA THR 29 -5.604 -7.158 4.652 204 HB THR 29 HB THR 29 -7.216 -6.717 7.172 205 HG1 THR 29 HG1 THR 29 -6.110 -9.027 6.074 206 HG21 THR 29 HG21 THR 29 -9.082 -7.517 5.799 207 HG22 THR 29 HG22 THR 29 -7.999 -7.700 4.420 208 HG23 THR 29 HG23 THR 29 -8.333 -6.096 5.073 209 H SER 30 H SER 30 -5.404 -5.304 3.544 210 HA SER 30 HA SER 30 -5.575 -2.760 4.987 211 HG SER 30 HG SER 30 -3.979 -1.024 3.605 212 HB2 SER 30 HB2 SER 30 -3.610 -3.137 3.523 213 HB3 SER 30 HB3 SER 30 -4.690 -3.303 2.139 214 H LYS 31 H LYS 31 -7.476 -1.807 5.058 215 HA LYS 31 HA LYS 31 -9.374 -2.164 2.841 216 HB2 LYS 31 HB2 LYS 31 -9.738 -1.214 5.689 217 HB3 LYS 31 HB3 LYS 31 -11.005 -1.127 4.474 218 HG2 LYS 31 HG2 LYS 31 -9.647 -3.693 5.249 219 HG3 LYS 31 HG3 LYS 31 -11.104 -3.083 6.033 220 HD2 LYS 31 HD2 LYS 31 -10.830 -3.671 3.089 221 HD3 LYS 31 HD3 LYS 31 -11.610 -4.725 4.269 222 HE2 LYS 31 HE2 LYS 31 -13.169 -2.851 4.794 223 HE3 LYS 31 HE3 LYS 31 -12.456 -1.950 3.458 224 HZ1 LYS 31 HZ1 LYS 31 -13.880 -4.551 3.260 225 HZ2 LYS 31 HZ2 LYS 31 -13.145 -3.745 1.964 226 HZ3 LYS 31 HZ3 LYS 31 -14.464 -3.042 2.753 227 H PHE 32 H PHE 32 -9.275 -0.636 1.373 228 HA PHE 32 HA PHE 32 -8.754 2.131 2.237 229 HD1 PHE 32 HD1 PHE 32 -6.703 3.747 1.694 230 HD2 PHE 32 HD2 PHE 32 -8.072 2.257 -2.048 231 HE1 PHE 32 HE1 PHE 32 -6.319 5.954 0.680 232 HE2 PHE 32 HE2 PHE 32 -7.693 4.463 -3.070 233 HZ PHE 32 HZ PHE 32 -6.817 6.314 -1.704 234 HB2 PHE 32 HB2 PHE 32 -6.774 1.253 1.097 235 HB3 PHE 32 HB3 PHE 32 -7.758 0.785 -0.284 236 H SER 33 H SER 33 -10.434 3.393 1.858 237 HA SER 33 HA SER 33 -12.051 2.862 -0.532 238 HG SER 33 HG SER 33 -13.741 3.697 3.053 239 HB2 SER 33 HB2 SER 33 -14.006 3.747 0.940 240 HB3 SER 33 HB3 SER 33 -13.471 2.079 1.145 241 H ARG 34 H ARG 34 -11.757 4.499 -1.878 242 HA ARG 34 HA ARG 34 -11.623 7.218 -0.737 243 HE ARG 34 HE ARG 34 -8.437 10.446 -2.937 244 HB2 ARG 34 HB2 ARG 34 -9.473 6.426 -1.768 245 HB3 ARG 34 HB3 ARG 34 -10.314 6.298 -3.308 246 HG2 ARG 34 HG2 ARG 34 -10.867 8.744 -3.092 247 HG3 ARG 34 HG3 ARG 34 -9.774 8.787 -1.709 248 HD2 ARG 34 HD2 ARG 34 -7.955 7.965 -3.177 249 HD3 ARG 34 HD3 ARG 34 -9.061 8.057 -4.549 250 HH11 ARG 34 HH11 ARG 34 -8.519 8.802 -6.034 251 HH12 ARG 34 HH12 ARG 34 -8.107 10.222 -6.942 252 HH21 ARG 34 HH21 ARG 34 -7.938 12.323 -4.142 253 HH22 ARG 34 HH22 ARG 34 -7.776 12.210 -5.871 254 H PHE 35 H PHE 35 -12.655 8.877 -1.901 255 HA PHE 35 HA PHE 35 -14.906 8.001 -3.490 256 HD1 PHE 35 HD1 PHE 35 -17.114 8.667 -2.351 257 HD2 PHE 35 HD2 PHE 35 -14.051 10.777 -0.292 258 HE1 PHE 35 HE1 PHE 35 -18.266 8.241 -0.215 259 HE2 PHE 35 HE2 PHE 35 -15.190 10.358 1.847 260 HZ PHE 35 HZ PHE 35 -17.299 9.088 1.889 261 HB2 PHE 35 HB2 PHE 35 -14.058 10.761 -2.598 262 HB3 PHE 35 HB3 PHE 35 -15.547 10.398 -3.462 263 H PHE 36 H PHE 36 -15.165 8.241 -5.611 264 HA PHE 36 HA PHE 36 -13.142 9.753 -7.123 265 HD1 PHE 36 HD2 PHE 36 -11.048 8.337 -8.760 266 HD2 PHE 36 HD1 PHE 36 -13.195 5.919 -5.998 267 HE1 PHE 36 HE2 PHE 36 -8.932 7.364 -7.974 268 HE2 PHE 36 HE1 PHE 36 -11.081 4.939 -5.205 269 HZ PHE 36 HZ PHE 36 -8.947 5.663 -6.193 270 HB2 PHE 36 HB2 PHE 36 -14.326 7.051 -7.803 271 HB3 PHE 36 HB3 PHE 36 -13.438 8.039 -8.959 272 H ALA 37 H ALA 37 -13.938 10.429 -9.276 273 HA ALA 37 HA ALA 37 -16.386 11.773 -9.105 274 HB1 ALA 37 HB1 ALA 37 -14.588 12.509 -10.575 275 HB2 ALA 37 HB2 ALA 37 -16.080 12.276 -11.487 276 HB3 ALA 37 HB3 ALA 37 -14.797 11.069 -11.573 277 H THR 38 H THR 38 -15.556 8.954 -11.131 278 HA THR 38 HA THR 38 -18.402 8.231 -11.069 279 HB THR 38 HB THR 38 -18.100 7.224 -13.324 280 HG1 THR 38 HG1 THR 38 -16.176 8.120 -14.484 281 HG21 THR 38 HG21 THR 38 -18.099 9.348 -14.570 282 HG22 THR 38 HG22 THR 38 -17.502 10.178 -13.133 283 HG23 THR 38 HG23 THR 38 -19.101 9.433 -13.120 284 H ARG 39 H ARG 39 -18.846 5.928 -11.305 285 HA ARG 39 HA ARG 39 -17.255 4.266 -9.708 286 HE ARG 39 HE ARG 39 -18.775 -0.544 -11.509 287 HB2 ARG 39 HB2 ARG 39 -19.468 3.575 -9.875 288 HB3 ARG 39 HB3 ARG 39 -19.517 3.784 -11.614 289 HG2 ARG 39 HG2 ARG 39 -18.078 1.805 -11.872 290 HG3 ARG 39 HG3 ARG 39 -18.085 1.595 -10.120 291 HD2 ARG 39 HD2 ARG 39 -20.519 1.318 -10.178 292 HD3 ARG 39 HD3 ARG 39 -20.494 1.514 -11.930 293 HH11 ARG 39 HH11 ARG 39 -22.082 0.104 -10.532 294 HH12 ARG 39 HH12 ARG 39 -22.546 -1.577 -10.511 295 HH21 ARG 39 HH21 ARG 39 -19.371 -2.772 -11.442 296 HH22 ARG 39 HH22 ARG 39 -21.005 -3.197 -11.025 297 H GLU 40 H GLU 40 -17.272 4.893 -13.131 298 HA GLU 40 HA GLU 40 -15.619 2.843 -14.040 299 HB2 GLU 40 HB2 GLU 40 -15.932 5.697 -14.972 300 HB3 GLU 40 HB3 GLU 40 -15.027 4.471 -15.851 301 HG2 GLU 40 HG2 GLU 40 -17.007 3.142 -16.123 302 HG3 GLU 40 HG3 GLU 40 -17.938 4.255 -15.129 303 H GLU 41 H GLU 41 -14.770 6.120 -12.987 304 HA GLU 41 HA GLU 41 -12.004 5.951 -13.059 305 HB2 GLU 41 HB2 GLU 41 -13.840 7.425 -11.176 306 HB3 GLU 41 HB3 GLU 41 -12.094 7.627 -11.145 307 HG2 GLU 41 HG2 GLU 41 -13.819 8.130 -13.555 308 HG3 GLU 41 HG3 GLU 41 -13.299 9.375 -12.421 309 H ALA 42 H ALA 42 -14.262 4.700 -10.715 310 HA ALA 42 HA ALA 42 -12.369 4.186 -8.657 311 HB1 ALA 42 HB1 ALA 42 -14.148 2.894 -7.610 312 HB2 ALA 42 HB2 ALA 42 -15.085 2.949 -9.103 313 HB3 ALA 42 HB3 ALA 42 -14.761 4.434 -8.209 314 H GLU 43 H GLU 43 -13.991 2.043 -11.007 315 HA GLU 43 HA GLU 43 -12.547 -0.272 -10.249 316 HB2 GLU 43 HB2 GLU 43 -14.022 0.368 -12.804 317 HB3 GLU 43 HB3 GLU 43 -13.403 -1.223 -12.385 318 HG2 GLU 43 HG2 GLU 43 -14.835 -1.184 -10.359 319 HG3 GLU 43 HG3 GLU 43 -15.523 0.336 -10.926 320 H SER 44 H SER 44 -11.928 2.283 -12.553 321 HA SER 44 HA SER 44 -9.861 0.976 -13.981 322 HG SER 44 HG SER 44 -12.110 2.927 -14.547 323 HB2 SER 44 HB2 SER 44 -10.334 3.939 -13.583 324 HB3 SER 44 HB3 SER 44 -9.292 3.219 -14.811 325 H PHE 45 H PHE 45 -9.956 2.697 -10.954 326 HA PHE 45 HA PHE 45 -7.137 3.120 -10.750 327 HD1 PHE 45 HD1 PHE 45 -6.301 5.184 -9.282 328 HD2 PHE 45 HD2 PHE 45 -8.226 2.493 -6.601 329 HE1 PHE 45 HE1 PHE 45 -4.583 5.650 -7.582 330 HE2 PHE 45 HE2 PHE 45 -6.512 2.958 -4.900 331 HZ PHE 45 HZ PHE 45 -4.688 4.537 -5.388 332 HB2 PHE 45 HB2 PHE 45 -8.764 4.477 -9.491 333 HB3 PHE 45 HB3 PHE 45 -9.268 3.048 -8.599 334 H MET 46 H MET 46 -9.378 0.605 -9.845 335 HA MET 46 HA MET 46 -7.711 -0.870 -8.131 336 HB2 MET 46 HB2 MET 46 -10.093 -1.240 -8.176 337 HB3 MET 46 HB3 MET 46 -10.032 -1.719 -9.866 338 HG2 MET 46 HG2 MET 46 -10.302 -3.617 -8.339 339 HG3 MET 46 HG3 MET 46 -8.831 -3.725 -9.304 340 HE1 MET 46 HE1 MET 46 -9.398 -1.371 -6.241 341 HE2 MET 46 HE2 MET 46 -8.811 -2.352 -4.897 342 HE3 MET 46 HE3 MET 46 -10.291 -2.805 -5.743 343 H THR 47 H THR 47 -8.123 -0.928 -11.626 344 HA THR 47 HA THR 47 -7.016 -3.378 -12.245 345 HB THR 47 HB THR 47 -6.654 -0.871 -13.891 346 HG1 THR 47 HG1 THR 47 -8.921 -2.465 -13.331 347 HG21 THR 47 HG21 THR 47 -5.453 -2.841 -14.722 348 HG22 THR 47 HG22 THR 47 -6.792 -2.421 -15.791 349 HG23 THR 47 HG23 THR 47 -6.946 -3.777 -14.673 350 H LYS 48 H LYS 48 -5.255 -0.262 -12.013 351 HA LYS 48 HA LYS 48 -2.754 -1.476 -12.609 352 HB2 LYS 48 HB2 LYS 48 -1.759 0.677 -11.991 353 HB3 LYS 48 HB3 LYS 48 -3.089 0.848 -13.127 354 HG2 LYS 48 HG2 LYS 48 -4.565 1.504 -11.302 355 HG3 LYS 48 HG3 LYS 48 -3.227 1.334 -10.166 356 HD2 LYS 48 HD2 LYS 48 -3.331 3.241 -12.498 357 HD3 LYS 48 HD3 LYS 48 -3.569 3.656 -10.806 358 HE2 LYS 48 HE2 LYS 48 -1.280 2.902 -10.310 359 HE3 LYS 48 HE3 LYS 48 -1.047 2.539 -12.021 360 HZ1 LYS 48 HZ1 LYS 48 -0.110 4.691 -11.442 361 HZ2 LYS 48 HZ2 LYS 48 -1.617 5.222 -10.877 362 HZ3 LYS 48 HZ3 LYS 48 -1.402 4.882 -12.525 363 H LEU 49 H LEU 49 -4.528 -0.912 -9.681 364 HA LEU 49 HA LEU 49 -2.339 -1.250 -7.889 365 HG LEU 49 HG LEU 49 -4.883 0.457 -5.873 366 HB2 LEU 49 HB2 LEU 49 -5.288 -1.109 -7.661 367 HB3 LEU 49 HB3 LEU 49 -4.441 -1.924 -6.361 368 HD11 LEU 49 HD11 LEU 49 -2.618 1.029 -5.149 369 HD12 LEU 49 HD12 LEU 49 -1.969 -0.241 -6.185 370 HD13 LEU 49 HD13 LEU 49 -3.001 -0.659 -4.818 371 HD21 LEU 49 HD21 LEU 49 -3.626 2.190 -7.050 372 HD22 LEU 49 HD22 LEU 49 -4.731 1.348 -8.137 373 HD23 LEU 49 HD23 LEU 49 -3.006 0.982 -8.174 374 H LYS 50 H LYS 50 -4.712 -3.433 -9.322 375 HA LYS 50 HA LYS 50 -4.176 -5.758 -7.899 376 HB2 LYS 50 HB2 LYS 50 -4.753 -5.522 -10.860 377 HB3 LYS 50 HB3 LYS 50 -4.984 -6.958 -9.872 378 HG2 LYS 50 HG2 LYS 50 -6.766 -5.997 -8.697 379 HG3 LYS 50 HG3 LYS 50 -6.382 -4.376 -9.277 380 HD2 LYS 50 HD2 LYS 50 -8.146 -4.907 -10.621 381 HD3 LYS 50 HD3 LYS 50 -6.803 -5.444 -11.621 382 HE2 LYS 50 HE2 LYS 50 -7.120 -7.732 -10.840 383 HE3 LYS 50 HE3 LYS 50 -8.448 -7.206 -9.807 384 HZ1 LYS 50 HZ1 LYS 50 -8.363 -7.154 -12.773 385 HZ2 LYS 50 HZ2 LYS 50 -9.599 -6.458 -11.847 386 HZ3 LYS 50 HZ3 LYS 50 -9.344 -8.133 -11.794 387 H GLU 51 H GLU 51 -2.604 -4.545 -10.831 388 HA GLU 51 HA GLU 51 -0.712 -6.568 -11.177 389 HB2 GLU 51 HB2 GLU 51 -0.269 -3.637 -11.743 390 HB3 GLU 51 HB3 GLU 51 0.529 -4.996 -12.519 391 HG2 GLU 51 HG2 GLU 51 -1.629 -5.670 -13.489 392 HG3 GLU 51 HG3 GLU 51 -2.376 -4.248 -12.760 393 H LEU 52 H LEU 52 -0.609 -3.642 -9.221 394 HA LEU 52 HA LEU 52 2.107 -3.884 -8.438 395 HG LEU 52 HG LEU 52 0.435 -1.572 -9.455 396 HB2 LEU 52 HB2 LEU 52 -0.189 -2.379 -7.182 397 HB3 LEU 52 HB3 LEU 52 1.488 -2.212 -6.698 398 HD11 LEU 52 HD11 LEU 52 0.733 0.771 -8.811 399 HD12 LEU 52 HD12 LEU 52 1.142 0.264 -7.170 400 HD13 LEU 52 HD13 LEU 52 -0.475 -0.035 -7.807 401 HD21 LEU 52 HD21 LEU 52 2.612 -0.499 -9.751 402 HD22 LEU 52 HD22 LEU 52 2.775 -2.225 -9.429 403 HD23 LEU 52 HD23 LEU 52 3.101 -1.055 -8.150 404 H ALA 53 H ALA 53 -0.964 -4.827 -6.931 405 HA ALA 53 HA ALA 53 0.121 -5.742 -4.496 406 HB1 ALA 53 HB1 ALA 53 -2.255 -5.271 -4.780 407 HB2 ALA 53 HB2 ALA 53 -2.003 -6.917 -4.198 408 HB3 ALA 53 HB3 ALA 53 -2.401 -6.632 -5.893 409 H ALA 54 H ALA 54 -0.520 -7.389 -7.559 410 HA ALA 54 HA ALA 54 0.074 -10.001 -6.725 411 HB1 ALA 54 HB1 ALA 54 -1.065 -9.429 -8.836 412 HB2 ALA 54 HB2 ALA 54 0.295 -10.528 -9.075 413 HB3 ALA 54 HB3 ALA 54 0.464 -8.818 -9.471 414 H ALA 55 H ALA 55 2.155 -7.381 -7.818 415 HA ALA 55 HA ALA 55 4.487 -9.093 -7.918 416 HB1 ALA 55 HB1 ALA 55 4.217 -7.281 -9.534 417 HB2 ALA 55 HB2 ALA 55 5.684 -7.082 -8.577 418 HB3 ALA 55 HB3 ALA 55 4.261 -6.104 -8.221 419 H ALA 56 H ALA 56 3.011 -6.824 -5.717 420 HA ALA 56 HA ALA 56 5.286 -6.439 -4.047 421 HB1 ALA 56 HB1 ALA 56 3.441 -4.846 -4.085 422 HB2 ALA 56 HB2 ALA 56 3.700 -5.473 -2.456 423 HB3 ALA 56 HB3 ALA 56 2.356 -6.073 -3.429 424 H SER 57 H SER 57 2.594 -8.705 -4.072 425 HA SER 57 HA SER 57 3.426 -9.903 -1.566 426 HG SER 57 HG SER 57 0.725 -12.220 -2.084 427 HB2 SER 57 HB2 SER 57 1.026 -9.705 -2.113 428 HB3 SER 57 HB3 SER 57 1.264 -10.747 -3.514 429 H SER 58 H SER 58 5.076 -11.260 -1.521 430 HA SER 58 HA SER 58 6.017 -12.622 -3.876 431 HG SER 58 HG SER 58 7.105 -10.842 -1.407 432 HB2 SER 58 HB2 SER 58 6.908 -13.010 -1.017 433 HB3 SER 58 HB3 SER 58 7.814 -13.370 -2.484 434 H ALA 59 H ALA 59 3.349 -13.283 -2.600 435 HA ALA 59 HA ALA 59 3.658 -16.015 -1.696 436 HB1 ALA 59 HB1 ALA 59 1.160 -14.396 -2.181 437 HB2 ALA 59 HB2 ALA 59 2.006 -14.559 -0.642 438 HB3 ALA 59 HB3 ALA 59 1.240 -15.966 -1.381 439 H ASP 60 H ASP 60 4.022 -14.866 -4.595 440 HA ASP 60 HA ASP 60 4.068 -15.803 -6.661 441 HB2 ASP 60 HB2 ASP 60 2.727 -18.162 -5.326 442 HB3 ASP 60 HB3 ASP 60 3.246 -18.139 -7.006 443 H GLU 61 H GLU 61 0.985 -16.531 -5.070 444 HA GLU 61 HA GLU 61 -0.454 -16.092 -7.560 445 HB2 GLU 61 HB2 GLU 61 -0.853 -17.999 -5.890 446 HB3 GLU 61 HB3 GLU 61 -1.625 -16.790 -4.875 447 HG2 GLU 61 HG2 GLU 61 -3.256 -16.344 -6.624 448 HG3 GLU 61 HG3 GLU 61 -2.468 -17.531 -7.667 449 H GLY 62 H GLY 62 0.845 -13.854 -6.160 450 HA2 GLY 62 HA2 GLY 62 0.389 -11.639 -5.757 451 HA3 GLY 62 HA3 GLY 62 -1.222 -11.936 -6.396 452 H ALA 63 H ALA 63 -2.589 -11.089 -4.969 453 HA ALA 63 HA ALA 63 -2.455 -12.061 -2.203 454 HB1 ALA 63 HB1 ALA 63 -2.869 -9.840 -1.306 455 HB2 ALA 63 HB2 ALA 63 -2.828 -9.159 -2.933 456 HB3 ALA 63 HB3 ALA 63 -1.369 -9.859 -2.234 457 H SER 64 H SER 64 -4.541 -11.194 -1.027 458 HA SER 64 HA SER 64 -6.807 -11.933 -2.692 459 HG SER 64 HG SER 64 -5.679 -13.328 -0.951 460 HB2 SER 64 HB2 SER 64 -6.767 -11.221 0.249 461 HB3 SER 64 HB3 SER 64 -8.045 -12.067 -0.623 462 H VAL 65 H VAL 65 -8.048 -10.449 -3.656 463 HA VAL 65 HA VAL 65 -8.145 -7.765 -2.488 464 HB VAL 65 HB VAL 65 -6.528 -7.556 -4.243 465 HG11 VAL 65 HG11 VAL 65 -7.067 -9.546 -5.538 466 HG12 VAL 65 HG12 VAL 65 -6.996 -8.121 -6.576 467 HG13 VAL 65 HG13 VAL 65 -8.557 -8.789 -6.101 468 HG21 VAL 65 HG21 VAL 65 -8.072 -5.697 -4.017 469 HG22 VAL 65 HG22 VAL 65 -9.189 -6.465 -5.145 470 HG23 VAL 65 HG23 VAL 65 -7.614 -5.909 -5.708 471 H ALA 66 H ALA 66 -10.149 -7.335 -2.007 472 HA ALA 66 HA ALA 66 -12.263 -8.086 -3.922 473 HB1 ALA 66 HB1 ALA 66 -12.489 -7.965 -0.910 474 HB2 ALA 66 HB2 ALA 66 -12.448 -9.435 -1.885 475 HB3 ALA 66 HB3 ALA 66 -13.805 -8.316 -2.029 476 H TYR 67 H TYR 67 -13.275 -6.357 -4.763 477 HA TYR 67 HA TYR 67 -13.113 -3.852 -3.237 478 HD1 TYR 67 HD2 TYR 67 -12.301 -5.876 -6.861 479 HD2 TYR 67 HD1 TYR 67 -14.283 -2.112 -6.868 480 HE1 TYR 67 HE2 TYR 67 -13.192 -6.351 -9.106 481 HE2 TYR 67 HE1 TYR 67 -15.175 -2.578 -9.110 482 HH TYR 67 HH TYR 67 -14.688 -3.948 -11.040 483 HB2 TYR 67 HB2 TYR 67 -12.720 -2.584 -5.185 484 HB3 TYR 67 HB3 TYR 67 -11.639 -3.964 -5.307 485 H LYS 68 H LYS 68 -14.904 -2.728 -2.939 486 HA LYS 68 HA LYS 68 -17.327 -3.582 -4.378 487 HB2 LYS 68 HB2 LYS 68 -17.075 -2.308 -1.653 488 HB3 LYS 68 HB3 LYS 68 -18.597 -2.591 -2.481 489 HG2 LYS 68 HG2 LYS 68 -18.125 -5.007 -2.453 490 HG3 LYS 68 HG3 LYS 68 -16.656 -4.669 -1.536 491 HD2 LYS 68 HD2 LYS 68 -19.495 -4.098 -0.694 492 HD3 LYS 68 HD3 LYS 68 -18.400 -5.291 0.009 493 HE2 LYS 68 HE2 LYS 68 -17.047 -3.646 0.980 494 HE3 LYS 68 HE3 LYS 68 -17.702 -2.375 -0.048 495 HZ1 LYS 68 HZ1 LYS 68 -18.683 -2.024 2.010 496 HZ2 LYS 68 HZ2 LYS 68 -18.956 -3.674 2.290 497 HZ3 LYS 68 HZ3 LYS 68 -19.888 -2.844 1.140 498 H ILE 69 H ILE 69 -18.944 -1.805 -4.560 499 HA ILE 69 HA ILE 69 -17.656 0.783 -5.068 500 HB ILE 69 HB ILE 69 -19.434 -0.573 -7.098 501 HG12 ILE 69 HG12 ILE 69 -16.460 -0.098 -7.320 502 HG13 ILE 69 HG13 ILE 69 -17.151 -1.636 -6.813 503 HG21 ILE 69 HG21 ILE 69 -17.785 1.949 -7.244 504 HG22 ILE 69 HG22 ILE 69 -19.542 1.869 -7.096 505 HG23 ILE 69 HG23 ILE 69 -18.751 1.268 -8.553 506 HD11 ILE 69 HD11 ILE 69 -16.559 -1.660 -9.163 507 HD12 ILE 69 HD12 ILE 69 -17.618 -0.280 -9.456 508 HD13 ILE 69 HD13 ILE 69 -18.302 -1.826 -8.949 509 H LYS 70 H LYS 70 -18.803 2.125 -3.800 510 HA LYS 70 HA LYS 70 -21.722 1.802 -3.830 511 HB2 LYS 70 HB2 LYS 70 -20.541 1.834 -1.618 512 HB3 LYS 70 HB3 LYS 70 -20.148 3.514 -1.931 513 HG2 LYS 70 HG2 LYS 70 -22.501 4.080 -2.012 514 HG3 LYS 70 HG3 LYS 70 -22.934 2.383 -1.793 515 HD2 LYS 70 HD2 LYS 70 -21.813 2.415 0.409 516 HD3 LYS 70 HD3 LYS 70 -21.477 4.136 0.190 517 HE2 LYS 70 HE2 LYS 70 -23.894 4.567 0.031 518 HE3 LYS 70 HE3 LYS 70 -24.207 2.851 0.290 519 HZ1 LYS 70 HZ1 LYS 70 -23.171 3.031 2.466 520 HZ2 LYS 70 HZ2 LYS 70 -24.464 4.109 2.330 521 HZ3 LYS 70 HZ3 LYS 70 -22.868 4.680 2.216 522 H ASP 71 H ASP 71 -22.354 2.788 -5.522 523 HA ASP 71 HA ASP 71 -21.299 5.267 -6.489 524 HB2 ASP 71 HB2 ASP 71 -23.237 5.100 -8.094 525 HB3 ASP 71 HB3 ASP 71 -22.127 3.741 -8.128 526 H LEU 72 H LEU 72 -21.696 7.089 -5.406 527 HA LEU 72 HA LEU 72 -24.146 7.302 -3.814 528 HG LEU 72 HG LEU 72 -21.140 6.784 -2.966 529 HB2 LEU 72 HB2 LEU 72 -21.686 9.059 -3.794 530 HB3 LEU 72 HB3 LEU 72 -23.015 9.125 -2.654 531 HD11 LEU 72 HD11 LEU 72 -19.971 8.733 -2.101 532 HD12 LEU 72 HD12 LEU 72 -20.189 7.525 -0.837 533 HD13 LEU 72 HD13 LEU 72 -21.220 8.956 -0.875 534 HD21 LEU 72 HD21 LEU 72 -23.254 7.397 -0.904 535 HD22 LEU 72 HD22 LEU 72 -22.148 6.023 -0.872 536 HD23 LEU 72 HD23 LEU 72 -23.349 6.159 -2.155 537 H GLU 73 H GLU 73 -24.492 9.945 -3.583 538 HA GLU 73 HA GLU 73 -25.559 10.729 -6.123 539 HB2 GLU 73 HB2 GLU 73 -26.590 11.250 -3.872 540 HB3 GLU 73 HB3 GLU 73 -25.295 12.415 -3.630 541 HG2 GLU 73 HG2 GLU 73 -26.038 13.656 -5.591 542 HG3 GLU 73 HG3 GLU 73 -27.329 12.481 -5.845 543 H GLY 74 H GLY 74 -24.085 11.216 -7.638 544 HA2 GLY 74 HA2 GLY 74 -22.713 12.827 -8.685 545 HA3 GLY 74 HA3 GLY 74 -22.285 13.464 -7.103 546 H GLN 75 H GLN 75 -21.186 11.599 -5.711 547 HA GLN 75 HA GLN 75 -18.870 10.781 -7.332 548 HB2 GLN 75 HB2 GLN 75 -17.625 10.829 -5.187 549 HB3 GLN 75 HB3 GLN 75 -18.320 12.387 -5.607 550 HG2 GLN 75 HG2 GLN 75 -20.230 11.845 -4.079 551 HG3 GLN 75 HG3 GLN 75 -19.321 10.430 -3.554 552 HE21 GLN 75 HE21 GLN 75 -19.191 11.191 -1.431 553 HE22 GLN 75 HE22 GLN 75 -18.156 12.503 -0.990 554 H VAL 76 H VAL 76 -17.677 8.848 -6.347 555 HA VAL 76 HA VAL 76 -19.577 6.871 -5.257 556 HB VAL 76 HB VAL 76 -18.576 5.111 -6.614 557 HG11 VAL 76 HG11 VAL 76 -19.442 5.780 -8.828 558 HG12 VAL 76 HG12 VAL 76 -19.565 7.444 -8.251 559 HG13 VAL 76 HG13 VAL 76 -20.545 6.176 -7.510 560 HG21 VAL 76 HG21 VAL 76 -16.975 7.312 -7.916 561 HG22 VAL 76 HG22 VAL 76 -17.040 5.630 -8.449 562 HG23 VAL 76 HG23 VAL 76 -16.343 6.033 -6.879 563 H GLU 77 H GLU 77 -18.625 5.213 -3.966 564 HA GLU 77 HA GLU 77 -15.936 5.907 -2.990 565 HB2 GLU 77 HB2 GLU 77 -17.710 6.033 -1.281 566 HB3 GLU 77 HB3 GLU 77 -18.113 4.348 -1.584 567 HG2 GLU 77 HG2 GLU 77 -15.826 3.719 -0.884 568 HG3 GLU 77 HG3 GLU 77 -15.523 5.406 -0.479 569 H LEU 78 H LEU 78 -14.396 4.650 -3.761 570 HA LEU 78 HA LEU 78 -14.972 1.896 -4.548 571 HG LEU 78 HG LEU 78 -12.001 1.944 -6.777 572 HB2 LEU 78 HB2 LEU 78 -13.608 3.452 -5.990 573 HB3 LEU 78 HB3 LEU 78 -12.378 3.440 -4.746 574 HD11 LEU 78 HD11 LEU 78 -11.024 0.131 -5.452 575 HD12 LEU 78 HD12 LEU 78 -11.916 0.692 -4.037 576 HD13 LEU 78 HD13 LEU 78 -10.671 1.714 -4.759 577 HD21 LEU 78 HD21 LEU 78 -14.078 0.267 -5.375 578 HD22 LEU 78 HD22 LEU 78 -13.072 -0.255 -6.726 579 HD23 LEU 78 HD23 LEU 78 -14.252 1.035 -6.954 580 H ASP 79 H ASP 79 -14.820 0.378 -3.067 581 HA ASP 79 HA ASP 79 -13.062 0.835 -0.745 582 HB2 ASP 79 HB2 ASP 79 -15.358 0.686 -0.043 583 HB3 ASP 79 HB3 ASP 79 -15.613 -0.769 -1.002 584 H ALA 80 H ALA 80 -11.262 -0.304 -0.785 585 HA ALA 80 HA ALA 80 -11.273 -2.900 -2.178 586 HB1 ALA 80 HB1 ALA 80 -8.984 -0.966 -1.869 587 HB2 ALA 80 HB2 ALA 80 -9.954 -1.181 -3.325 588 HB3 ALA 80 HB3 ALA 80 -8.941 -2.501 -2.737 589 H ALA 81 H ALA 81 -10.682 -4.631 -1.075 590 HA ALA 81 HA ALA 81 -9.286 -4.299 1.490 591 HB1 ALA 81 HB1 ALA 81 -11.542 -5.245 1.716 592 HB2 ALA 81 HB2 ALA 81 -10.298 -6.399 2.194 593 HB3 ALA 81 HB3 ALA 81 -11.094 -6.559 0.629 594 H PHE 82 H PHE 82 -7.200 -4.640 1.129 595 HA PHE 82 HA PHE 82 -6.375 -6.811 -0.669 596 HD1 PHE 82 HD2 PHE 82 -4.451 -6.055 -2.800 597 HD2 PHE 82 HD1 PHE 82 -6.205 -2.800 -0.696 598 HE1 PHE 82 HE2 PHE 82 -4.897 -4.918 -4.936 599 HE2 PHE 82 HE1 PHE 82 -6.651 -1.658 -2.828 600 HZ PHE 82 HZ PHE 82 -5.995 -2.714 -4.951 601 HB2 PHE 82 HB2 PHE 82 -4.872 -4.442 0.453 602 HB3 PHE 82 HB3 PHE 82 -4.085 -5.750 -0.419 603 H THR 83 H THR 83 -6.061 -8.690 0.309 604 HA THR 83 HA THR 83 -4.928 -8.683 3.023 605 HB THR 83 HB THR 83 -6.351 -10.959 1.629 606 HG1 THR 83 HG1 THR 83 -7.820 -10.150 3.610 607 HG21 THR 83 HG21 THR 83 -4.791 -11.675 3.375 608 HG22 THR 83 HG22 THR 83 -6.461 -11.929 3.879 609 HG23 THR 83 HG23 THR 83 -5.548 -10.562 4.515 610 H PHE 84 H PHE 84 -2.798 -8.809 2.892 611 HA PHE 84 HA PHE 84 -1.541 -10.424 0.814 612 HD1 PHE 84 HD1 PHE 84 -2.098 -6.928 1.514 613 HD2 PHE 84 HD2 PHE 84 1.228 -8.871 -0.288 614 HE1 PHE 84 HE1 PHE 84 -2.189 -5.338 -0.356 615 HE2 PHE 84 HE2 PHE 84 1.145 -7.283 -2.163 616 HZ PHE 84 HZ PHE 84 -0.568 -5.512 -2.200 617 HB2 PHE 84 HB2 PHE 84 -0.469 -8.424 2.801 618 HB3 PHE 84 HB3 PHE 84 0.597 -9.462 1.860 619 H SER 85 H SER 85 0.079 -12.004 1.342 620 HA SER 85 HA SER 85 -0.827 -13.717 3.442 621 HG SER 85 HG SER 85 -0.996 -13.960 1.023 622 HB2 SER 85 HB2 SER 85 1.602 -14.033 1.670 623 HB3 SER 85 HB3 SER 85 0.752 -15.307 2.551 624 H CYS 86 H CYS 86 1.868 -11.546 2.973 625 HA CYS 86 HA CYS 86 2.756 -12.134 5.714 626 HG CYS 86 HG CYS 86 3.671 -14.356 4.303 627 HB2 CYS 86 HB2 CYS 86 4.541 -11.218 3.450 628 HB3 CYS 86 HB3 CYS 86 5.038 -11.707 5.067 629 H GLN 87 H GLN 87 3.283 -10.373 6.993 630 HA GLN 87 HA GLN 87 1.930 -7.960 6.419 631 HB2 GLN 87 HB2 GLN 87 2.163 -8.675 8.690 632 HB3 GLN 87 HB3 GLN 87 3.916 -8.693 8.567 633 HG2 GLN 87 HG2 GLN 87 4.069 -6.380 8.626 634 HG3 GLN 87 HG3 GLN 87 2.383 -6.153 8.164 635 HE21 GLN 87 HE21 GLN 87 0.774 -6.418 9.728 636 HE22 GLN 87 HE22 GLN 87 1.130 -6.415 11.426 637 H ALA 88 H ALA 88 5.264 -8.959 6.076 638 HA ALA 88 HA ALA 88 6.469 -6.467 5.685 639 HB1 ALA 88 HB1 ALA 88 7.181 -9.046 4.295 640 HB2 ALA 88 HB2 ALA 88 7.698 -8.600 5.921 641 HB3 ALA 88 HB3 ALA 88 8.232 -7.651 4.533 642 H GLU 89 H GLU 89 4.658 -8.526 3.500 643 HA GLU 89 HA GLU 89 5.255 -7.144 1.109 644 HB2 GLU 89 HB2 GLU 89 2.704 -8.669 1.606 645 HB3 GLU 89 HB3 GLU 89 3.584 -8.476 0.097 646 HG2 GLU 89 HG2 GLU 89 4.452 -10.100 2.477 647 HG3 GLU 89 HG3 GLU 89 3.836 -10.723 0.949 648 H MET 90 H MET 90 2.890 -6.685 3.632 649 HA MET 90 HA MET 90 1.095 -5.009 2.234 650 HB2 MET 90 HB2 MET 90 0.442 -6.067 4.316 651 HB3 MET 90 HB3 MET 90 1.709 -5.215 5.187 652 HG2 MET 90 HG2 MET 90 -0.422 -4.196 5.629 653 HG3 MET 90 HG3 MET 90 0.590 -3.086 4.709 654 HE1 MET 90 HE1 MET 90 -1.417 -6.232 3.425 655 HE2 MET 90 HE2 MET 90 -2.941 -5.478 2.953 656 HE3 MET 90 HE3 MET 90 -2.461 -5.514 4.651 657 H ILE 91 H ILE 91 3.742 -4.221 4.486 658 HA ILE 91 HA ILE 91 3.401 -1.431 4.223 659 HB ILE 91 HB ILE 91 5.855 -1.459 5.171 660 HG12 ILE 91 HG12 ILE 91 4.901 -4.238 5.882 661 HG13 ILE 91 HG13 ILE 91 6.131 -3.908 4.675 662 HG21 ILE 91 HG21 ILE 91 3.431 -2.379 6.710 663 HG22 ILE 91 HG22 ILE 91 3.897 -0.709 6.381 664 HG23 ILE 91 HG23 ILE 91 4.901 -1.716 7.424 665 HD11 ILE 91 HD11 ILE 91 7.544 -2.902 6.391 666 HD12 ILE 91 HD12 ILE 91 7.122 -4.567 6.787 667 HD13 ILE 91 HD13 ILE 91 6.305 -3.231 7.599 668 H ILE 92 H ILE 92 5.574 -3.718 2.564 669 HA ILE 92 HA ILE 92 7.019 -1.657 1.242 670 HB ILE 92 HB ILE 92 7.890 -3.396 -0.240 671 HG12 ILE 92 HG12 ILE 92 7.196 -5.828 0.629 672 HG13 ILE 92 HG13 ILE 92 5.674 -4.998 0.927 673 HG21 ILE 92 HG21 ILE 92 9.009 -4.742 1.488 674 HG22 ILE 92 HG22 ILE 92 7.844 -4.154 2.674 675 HG23 ILE 92 HG23 ILE 92 8.953 -3.027 1.895 676 HD11 ILE 92 HD11 ILE 92 7.102 -5.161 -1.718 677 HD12 ILE 92 HD12 ILE 92 5.569 -4.344 -1.416 678 HD13 ILE 92 HD13 ILE 92 5.683 -6.095 -1.240 679 H PHE 93 H PHE 93 4.060 -3.352 0.577 680 HA PHE 93 HA PHE 93 3.699 -2.609 -2.105 681 HD1 PHE 93 HD2 PHE 93 1.907 -3.421 -3.626 682 HD2 PHE 93 HD1 PHE 93 -0.411 -2.398 -0.205 683 HE1 PHE 93 HE2 PHE 93 -0.001 -2.887 -5.081 684 HE2 PHE 93 HE1 PHE 93 -2.325 -1.865 -1.657 685 HZ PHE 93 HZ PHE 93 -2.120 -2.112 -4.097 686 HB2 PHE 93 HB2 PHE 93 2.308 -4.307 -1.109 687 HB3 PHE 93 HB3 PHE 93 1.709 -3.179 0.099 688 H GLU 94 H GLU 94 2.554 -1.044 0.900 689 HA GLU 94 HA GLU 94 1.366 1.127 -0.494 690 HB2 GLU 94 HB2 GLU 94 1.186 2.208 1.731 691 HB3 GLU 94 HB3 GLU 94 0.522 0.583 1.679 692 HG2 GLU 94 HG2 GLU 94 2.165 -0.280 3.020 693 HG3 GLU 94 HG3 GLU 94 3.327 0.973 2.589 694 H LEU 95 H LEU 95 4.564 0.601 0.871 695 HA LEU 95 HA LEU 95 5.493 3.249 0.733 696 HG LEU 95 HG LEU 95 6.139 0.941 2.662 697 HB2 LEU 95 HB2 LEU 95 6.967 0.642 0.387 698 HB3 LEU 95 HB3 LEU 95 7.767 2.200 0.456 699 HD11 LEU 95 HD11 LEU 95 8.280 0.803 3.831 700 HD12 LEU 95 HD12 LEU 95 9.101 1.439 2.405 701 HD13 LEU 95 HD13 LEU 95 8.298 -0.129 2.334 702 HD21 LEU 95 HD21 LEU 95 6.895 2.828 4.020 703 HD22 LEU 95 HD22 LEU 95 5.898 3.361 2.666 704 HD23 LEU 95 HD23 LEU 95 7.651 3.548 2.600 705 H SER 96 H SER 96 5.487 0.659 -1.677 706 HA SER 96 HA SER 96 6.781 2.127 -3.710 707 HG SER 96 HG SER 96 6.398 -0.966 -2.722 708 HB2 SER 96 HB2 SER 96 4.837 -0.173 -4.019 709 HB3 SER 96 HB3 SER 96 6.048 0.348 -5.193 710 H LEU 97 H LEU 97 3.539 2.107 -2.527 711 HA LEU 97 HA LEU 97 2.357 3.332 -4.838 712 HG LEU 97 HG LEU 97 1.533 0.929 -2.855 713 HB2 LEU 97 HB2 LEU 97 1.341 3.198 -1.999 714 HB3 LEU 97 HB3 LEU 97 0.402 3.676 -3.401 715 HD11 LEU 97 HD11 LEU 97 -0.816 0.276 -2.689 716 HD12 LEU 97 HD12 LEU 97 -1.300 1.959 -2.907 717 HD13 LEU 97 HD13 LEU 97 -0.389 1.480 -1.474 718 HD21 LEU 97 HD21 LEU 97 -0.117 1.924 -5.176 719 HD22 LEU 97 HD22 LEU 97 0.324 0.245 -4.870 720 HD23 LEU 97 HD23 LEU 97 1.575 1.432 -5.238 721 H ARG 98 H ARG 98 3.958 4.415 -1.946 722 HA ARG 98 HA ARG 98 2.854 6.994 -1.762 723 HE ARG 98 HE ARG 98 3.722 4.302 2.669 724 HB2 ARG 98 HB2 ARG 98 5.539 5.985 -0.833 725 HB3 ARG 98 HB3 ARG 98 4.843 7.536 -0.385 726 HG2 ARG 98 HG2 ARG 98 2.945 6.358 0.647 727 HG3 ARG 98 HG3 ARG 98 3.713 4.820 0.253 728 HD2 ARG 98 HD2 ARG 98 5.675 5.515 1.591 729 HD3 ARG 98 HD3 ARG 98 4.801 6.970 2.063 730 HH11 ARG 98 HH11 ARG 98 4.832 7.459 3.725 731 HH12 ARG 98 HH12 ARG 98 4.291 7.219 5.362 732 HH21 ARG 98 HH21 ARG 98 3.013 4.007 4.814 733 HH22 ARG 98 HH22 ARG 98 3.265 5.290 5.970 734 H SER 99 H SER 99 5.907 5.910 -3.254 735 HA SER 99 HA SER 99 6.600 8.504 -4.185 736 HG SER 99 HG SER 99 8.264 4.997 -4.120 737 HB2 SER 99 HB2 SER 99 8.179 7.081 -5.692 738 HB3 SER 99 HB3 SER 99 8.431 7.081 -3.946 739 H LEU 100 H LEU 100 4.722 5.885 -5.466 740 HA LEU 100 HA LEU 100 4.546 6.790 -8.142 741 HG LEU 100 HG LEU 100 2.562 5.737 -9.376 742 HB2 LEU 100 HB2 LEU 100 4.006 4.512 -7.502 743 HB3 LEU 100 HB3 LEU 100 2.705 5.074 -6.476 744 HD11 LEU 100 HD11 LEU 100 3.235 3.389 -9.383 745 HD12 LEU 100 HD12 LEU 100 1.547 3.562 -9.865 746 HD13 LEU 100 HD13 LEU 100 1.948 3.011 -8.238 747 HD21 LEU 100 HD21 LEU 100 0.170 5.364 -8.979 748 HD22 LEU 100 HD22 LEU 100 0.838 6.543 -7.851 749 HD23 LEU 100 HD23 LEU 100 0.522 4.894 -7.315 750 H ALA 101 H ALA 101 2.549 7.265 -5.274 751 HA ALA 101 HA ALA 101 0.661 8.943 -6.658 752 HB1 ALA 101 HB1 ALA 101 0.934 8.368 -3.708 753 HB2 ALA 101 HB2 ALA 101 -0.050 7.451 -4.850 754 HB3 ALA 101 HB3 ALA 101 -0.444 9.134 -4.501 755 H LEU 102 H LEU 102 3.678 9.658 -6.042 756 HA LEU 102 HA LEU 102 3.318 12.203 -4.705 757 HG LEU 102 HG LEU 102 5.269 10.008 -3.852 758 HB2 LEU 102 HB2 LEU 102 5.692 10.940 -6.061 759 HB3 LEU 102 HB3 LEU 102 5.731 12.558 -5.393 760 HD11 LEU 102 HD11 LEU 102 7.593 11.930 -3.868 761 HD12 LEU 102 HD12 LEU 102 7.579 10.318 -4.585 762 HD13 LEU 102 HD13 LEU 102 7.429 10.509 -2.837 763 HD21 LEU 102 HD21 LEU 102 3.984 11.870 -2.916 764 HD22 LEU 102 HD22 LEU 102 5.448 12.852 -2.861 765 HD23 LEU 102 HD23 LEU 102 5.318 11.407 -1.859 766 H GLU 103 H GLU 103 2.995 11.018 -7.861 767 HA GLU 103 HA GLU 103 3.814 13.458 -9.184 768 HB2 GLU 103 HB2 GLU 103 2.508 10.992 -10.337 769 HB3 GLU 103 HB3 GLU 103 3.238 12.304 -11.254 770 HG2 GLU 103 HG2 GLU 103 5.406 11.771 -10.142 771 HG3 GLU 103 HG3 GLU 103 4.627 10.358 -9.432 772 H HIS 104 H HIS 104 2.086 14.541 -7.733 773 HA HIS 104 HA HIS 104 0.323 15.783 -9.458 774 HD1 HIS 104 HD1 HIS 104 -3.115 14.674 -6.680 775 HD2 HIS 104 HD2 HIS 104 0.110 12.081 -7.111 776 HE1 HIS 104 HE1 HIS 104 -3.219 13.125 -4.701 777 HE2 HIS 104 HE2 HIS 104 -1.155 11.688 -4.895 778 HB2 HIS 104 HB2 HIS 104 -1.889 15.058 -8.786 779 HB3 HIS 104 HB3 HIS 104 -0.999 13.669 -9.394 780 H HIS 105 H HIS 105 -0.215 17.704 -8.587 781 HA HIS 105 HA HIS 105 0.750 18.374 -6.003 782 HD1 HIS 105 HD1 HIS 105 -2.624 21.133 -6.456 783 HD2 HIS 105 HD2 HIS 105 -1.214 19.431 -9.982 784 HE1 HIS 105 HE1 HIS 105 -4.489 21.387 -8.126 785 HE2 HIS 105 HE2 HIS 105 -3.680 20.193 -10.193 786 HB2 HIS 105 HB2 HIS 105 -0.140 20.594 -6.396 787 HB3 HIS 105 HB3 HIS 105 0.611 20.006 -7.872 788 H HIS 106 H HIS 106 -0.364 18.925 -4.112 789 HA HIS 106 HA HIS 106 -3.204 18.275 -3.978 790 HD1 HIS 106 HD1 HIS 106 -1.221 17.402 -0.165 791 HD2 HIS 106 HD2 HIS 106 0.594 15.814 -3.558 792 HE1 HIS 106 HE1 HIS 106 1.138 16.858 0.514 793 HE2 HIS 106 HE2 HIS 106 2.144 15.709 -1.486 794 HB2 HIS 106 HB2 HIS 106 -2.873 16.735 -2.058 795 HB3 HIS 106 HB3 HIS 106 -2.188 16.110 -3.553 796 H HIS 107 H HIS 107 -4.280 19.366 -2.433 797 HA HIS 107 HA HIS 107 -3.230 20.370 -0.035 798 HD1 HIS 107 HD1 HIS 107 -4.432 24.512 -1.182 799 HD2 HIS 107 HD2 HIS 107 -1.865 22.485 1.389 800 HE1 HIS 107 HE1 HIS 107 -4.228 25.966 0.861 801 HE2 HIS 107 HE2 HIS 107 -2.511 24.821 2.303 802 HB2 HIS 107 HB2 HIS 107 -2.001 21.909 -1.546 803 HB3 HIS 107 HB3 HIS 107 -3.535 22.457 -2.213 804 H HIS 108 H HIS 108 -4.972 20.341 1.208 805 HA HIS 108 HA HIS 108 -7.440 21.610 0.462 806 HD1 HIS 108 HD1 HIS 108 -9.562 18.337 2.161 807 HD2 HIS 108 HD2 HIS 108 -10.059 20.832 -1.136 808 HE1 HIS 108 HE1 HIS 108 -12.037 18.751 1.986 809 HE2 HIS 108 HE2 HIS 108 -12.321 20.037 -0.165 810 HB2 HIS 108 HB2 HIS 108 -7.591 19.419 -0.758 811 HB3 HIS 108 HB3 HIS 108 -7.459 18.594 0.789 812 H HIS 109 H HIS 109 -7.986 22.565 2.315 813 HA HIS 109 HA HIS 109 -7.934 21.059 4.805 814 HD1 HIS 109 HD1 HIS 109 -6.770 24.858 6.639 815 HD2 HIS 109 HD2 HIS 109 -6.129 20.784 7.193 816 HE1 HIS 109 HE1 HIS 109 -6.598 24.530 9.126 817 HE2 HIS 109 HE2 HIS 109 -5.994 22.100 9.419 818 HB2 HIS 109 HB2 HIS 109 -5.666 22.064 4.598 819 HB3 HIS 109 HB3 HIS 109 -6.406 23.655 4.492 Start of MODEL 8 1 HA MET 1 HA MET 1 25.016 1.225 33.271 2 H1 MET 1 H1 MET 1 24.424 4.119 33.368 3 H2 MET 1 H2 MET 1 25.947 3.456 33.026 4 H3 MET 1 H3 MET 1 25.236 3.200 34.544 5 HB2 MET 1 HB2 MET 1 23.124 1.775 34.700 6 HB3 MET 1 HB3 MET 1 22.427 2.784 33.442 7 HG2 MET 1 HG2 MET 1 21.274 0.659 33.592 8 HG3 MET 1 HG3 MET 1 22.092 0.820 32.039 9 HE1 MET 1 HE1 MET 1 22.229 -0.803 35.610 10 HE2 MET 1 HE2 MET 1 23.814 -0.036 35.497 11 HE3 MET 1 HE3 MET 1 23.687 -1.792 35.502 12 H ALA 2 H ALA 2 25.737 0.773 31.307 13 HA ALA 2 HA ALA 2 24.274 1.918 29.016 14 HB1 ALA 2 HB1 ALA 2 26.321 2.003 27.728 15 HB2 ALA 2 HB2 ALA 2 27.236 1.350 29.087 16 HB3 ALA 2 HB3 ALA 2 26.506 2.951 29.204 17 H MET 3 H MET 3 23.051 0.266 28.408 18 HA MET 3 HA MET 3 24.426 -2.277 27.855 19 HB2 MET 3 HB2 MET 3 22.461 -3.522 28.488 20 HB3 MET 3 HB3 MET 3 22.927 -2.477 29.820 21 HG2 MET 3 HG2 MET 3 20.741 -1.843 27.853 22 HG3 MET 3 HG3 MET 3 20.482 -2.612 29.417 23 HE1 MET 3 HE1 MET 3 18.955 0.017 28.515 24 HE2 MET 3 HE2 MET 3 19.048 0.978 29.992 25 HE3 MET 3 HE3 MET 3 18.730 -0.755 30.085 26 H LYS 4 H LYS 4 22.585 0.299 26.649 27 HA LYS 4 HA LYS 4 21.944 -1.289 24.256 28 HB2 LYS 4 HB2 LYS 4 20.115 0.428 23.839 29 HB3 LYS 4 HB3 LYS 4 19.845 -0.726 25.135 30 HG2 LYS 4 HG2 LYS 4 20.186 0.876 26.795 31 HG3 LYS 4 HG3 LYS 4 20.977 1.993 25.681 32 HD2 LYS 4 HD2 LYS 4 18.673 2.682 26.281 33 HD3 LYS 4 HD3 LYS 4 18.891 2.416 24.552 34 HE2 LYS 4 HE2 LYS 4 17.843 0.231 24.733 35 HE3 LYS 4 HE3 LYS 4 17.684 0.437 26.479 36 HZ1 LYS 4 HZ1 LYS 4 16.443 2.265 24.498 37 HZ2 LYS 4 HZ2 LYS 4 16.157 2.207 26.168 38 HZ3 LYS 4 HZ3 LYS 4 15.636 0.934 25.173 39 H ASP 5 H ASP 5 23.837 -0.832 23.181 40 HA ASP 5 HA ASP 5 23.733 1.823 21.917 41 HB2 ASP 5 HB2 ASP 5 25.776 1.721 23.288 42 HB3 ASP 5 HB3 ASP 5 26.244 0.222 22.489 43 H VAL 6 H VAL 6 22.493 1.098 20.239 44 HA VAL 6 HA VAL 6 23.655 -1.060 18.607 45 HB VAL 6 HB VAL 6 21.502 -1.722 19.545 46 HG11 VAL 6 HG11 VAL 6 20.496 0.466 19.857 47 HG12 VAL 6 HG12 VAL 6 19.431 -0.577 18.918 48 HG13 VAL 6 HG13 VAL 6 20.372 0.676 18.112 49 HG21 VAL 6 HG21 VAL 6 22.084 -2.582 17.358 50 HG22 VAL 6 HG22 VAL 6 21.369 -1.169 16.585 51 HG23 VAL 6 HG23 VAL 6 20.343 -2.307 17.459 52 H VAL 7 H VAL 7 24.265 -0.580 16.620 53 HA VAL 7 HA VAL 7 22.968 1.584 15.180 54 HB VAL 7 HB VAL 7 24.904 2.648 16.241 55 HG11 VAL 7 HG11 VAL 7 26.549 0.594 14.775 56 HG12 VAL 7 HG12 VAL 7 26.383 0.768 16.523 57 HG13 VAL 7 HG13 VAL 7 27.196 2.021 15.585 58 HG21 VAL 7 HG21 VAL 7 24.190 3.470 14.076 59 HG22 VAL 7 HG22 VAL 7 25.213 2.286 13.263 60 HG23 VAL 7 HG23 VAL 7 25.945 3.580 14.214 61 H ASP 8 H ASP 8 22.495 0.960 13.203 62 HA ASP 8 HA ASP 8 24.255 -0.941 11.830 63 HB2 ASP 8 HB2 ASP 8 22.373 -2.220 10.974 64 HB3 ASP 8 HB3 ASP 8 22.335 -2.229 12.732 65 H LYS 9 H LYS 9 24.546 -0.523 9.694 66 HA LYS 9 HA LYS 9 23.404 2.015 8.788 67 HB2 LYS 9 HB2 LYS 9 25.855 1.830 8.778 68 HB3 LYS 9 HB3 LYS 9 25.745 0.458 7.683 69 HG2 LYS 9 HG2 LYS 9 24.834 1.836 5.945 70 HG3 LYS 9 HG3 LYS 9 24.726 3.213 7.041 71 HD2 LYS 9 HD2 LYS 9 27.284 1.854 6.199 72 HD3 LYS 9 HD3 LYS 9 26.661 3.362 5.526 73 HE2 LYS 9 HE2 LYS 9 26.722 4.314 7.840 74 HE3 LYS 9 HE3 LYS 9 27.549 2.846 8.359 75 HZ1 LYS 9 HZ1 LYS 9 29.294 3.350 6.707 76 HZ2 LYS 9 HZ2 LYS 9 29.160 4.535 7.912 77 HZ3 LYS 9 HZ3 LYS 9 28.518 4.822 6.369 78 H CYS 10 H CYS 10 21.414 1.293 8.177 79 HA CYS 10 HA CYS 10 21.422 -0.086 5.580 80 HG CYS 10 HG CYS 10 18.287 -2.521 6.088 81 HB2 CYS 10 HB2 CYS 10 20.364 -1.488 7.351 82 HB3 CYS 10 HB3 CYS 10 19.213 -0.192 7.655 83 H SER 11 H SER 11 21.692 1.984 4.650 84 HA SER 11 HA SER 11 19.331 3.728 4.860 85 HG SER 11 HG SER 11 20.304 4.602 6.819 86 HB2 SER 11 HB2 SER 11 22.226 4.613 4.730 87 HB3 SER 11 HB3 SER 11 20.823 5.681 4.765 88 H THR 12 H THR 12 19.031 5.159 3.052 89 HA THR 12 HA THR 12 18.848 5.686 0.866 90 HB THR 12 HB THR 12 21.569 4.434 0.499 91 HG1 THR 12 HG1 THR 12 22.191 5.951 1.837 92 HG21 THR 12 HG21 THR 12 21.781 6.043 -1.329 93 HG22 THR 12 HG22 THR 12 20.159 6.651 -0.998 94 HG23 THR 12 HG23 THR 12 20.381 5.000 -1.575 95 H LYS 13 H LYS 13 17.157 4.012 0.827 96 HA LYS 13 HA LYS 13 17.886 1.844 -1.016 97 HB2 LYS 13 HB2 LYS 13 16.642 1.100 0.965 98 HB3 LYS 13 HB3 LYS 13 15.347 2.230 0.593 99 HG2 LYS 13 HG2 LYS 13 14.821 1.026 -1.433 100 HG3 LYS 13 HG3 LYS 13 16.191 -0.054 -1.181 101 HD2 LYS 13 HD2 LYS 13 13.835 0.203 0.689 102 HD3 LYS 13 HD3 LYS 13 14.017 -1.054 -0.533 103 HE2 LYS 13 HE2 LYS 13 16.164 -1.700 0.577 104 HE3 LYS 13 HE3 LYS 13 15.767 -0.570 1.867 105 HZ1 LYS 13 HZ1 LYS 13 15.132 -2.867 2.384 106 HZ2 LYS 13 HZ2 LYS 13 14.081 -2.874 1.054 107 HZ3 LYS 13 HZ3 LYS 13 13.789 -1.833 2.362 108 H GLY 14 H GLY 14 18.038 2.963 -2.904 109 HA2 GLY 14 HA2 GLY 14 17.388 4.191 -4.730 110 HA3 GLY 14 HA3 GLY 14 15.726 3.843 -4.265 111 H CYS 15 H CYS 15 14.541 5.541 -3.803 112 HA CYS 15 HA CYS 15 15.669 7.701 -2.202 113 HG CYS 15 HG CYS 15 17.396 7.901 -4.253 114 HB2 CYS 15 HB2 CYS 15 14.190 8.175 -4.804 115 HB3 CYS 15 HB3 CYS 15 14.646 9.428 -3.652 116 H ALA 16 H ALA 16 12.892 6.060 -3.589 117 HA ALA 16 HA ALA 16 11.070 7.373 -1.738 118 HB1 ALA 16 HB1 ALA 16 10.530 5.248 -3.810 119 HB2 ALA 16 HB2 ALA 16 10.332 6.986 -4.037 120 HB3 ALA 16 HB3 ALA 16 9.314 6.126 -2.881 121 H ILE 17 H ILE 17 11.917 6.590 0.222 122 HA ILE 17 HA ILE 17 11.022 3.855 0.813 123 HB ILE 17 HB ILE 17 13.424 3.746 0.824 124 HG12 ILE 17 HG12 ILE 17 12.381 3.928 3.660 125 HG13 ILE 17 HG13 ILE 17 12.260 2.524 2.605 126 HG21 ILE 17 HG21 ILE 17 14.810 5.177 2.257 127 HG22 ILE 17 HG22 ILE 17 13.378 6.113 2.690 128 HG23 ILE 17 HG23 ILE 17 13.953 6.100 1.022 129 HD11 ILE 17 HD11 ILE 17 14.042 2.231 4.201 130 HD12 ILE 17 HD12 ILE 17 14.795 3.738 3.677 131 HD13 ILE 17 HD13 ILE 17 14.710 2.364 2.573 132 H ASP 18 H ASP 18 9.573 3.762 2.353 133 HA ASP 18 HA ASP 18 8.192 4.266 4.065 134 HB2 ASP 18 HB2 ASP 18 10.033 4.639 5.537 135 HB3 ASP 18 HB3 ASP 18 10.377 6.210 4.814 136 H ILE 19 H ILE 19 6.351 5.364 4.137 137 HA ILE 19 HA ILE 19 6.106 7.717 2.427 138 HB ILE 19 HB ILE 19 3.958 6.041 3.749 139 HG12 ILE 19 HG12 ILE 19 5.193 4.797 2.025 140 HG13 ILE 19 HG13 ILE 19 3.557 5.150 1.486 141 HG21 ILE 19 HG21 ILE 19 3.732 8.234 1.689 142 HG22 ILE 19 HG22 ILE 19 3.191 8.311 3.364 143 HG23 ILE 19 HG23 ILE 19 2.408 7.206 2.236 144 HD11 ILE 19 HD11 ILE 19 6.046 6.632 0.680 145 HD12 ILE 19 HD12 ILE 19 4.408 7.005 0.146 146 HD13 ILE 19 HD13 ILE 19 5.151 5.470 -0.301 147 H GLY 20 H GLY 20 6.200 6.813 5.749 148 HA2 GLY 20 HA2 GLY 20 6.286 8.279 7.578 149 HA3 GLY 20 HA3 GLY 20 5.671 9.566 6.549 150 H THR 21 H THR 21 3.969 6.658 6.287 151 HA THR 21 HA THR 21 1.724 7.790 7.768 152 HB THR 21 HB THR 21 1.771 5.309 6.040 153 HG1 THR 21 HG1 THR 21 1.159 8.024 5.394 154 HG21 THR 21 HG21 THR 21 -0.119 5.462 7.601 155 HG22 THR 21 HG22 THR 21 -0.646 5.646 5.927 156 HG23 THR 21 HG23 THR 21 -0.505 7.063 6.967 157 H VAL 22 H VAL 22 1.439 7.197 9.813 158 HA VAL 22 HA VAL 22 2.905 4.938 10.847 159 HB VAL 22 HB VAL 22 1.896 5.644 13.070 160 HG11 VAL 22 HG11 VAL 22 3.409 7.572 13.271 161 HG12 VAL 22 HG12 VAL 22 3.545 7.642 11.514 162 HG13 VAL 22 HG13 VAL 22 4.161 6.242 12.391 163 HG21 VAL 22 HG21 VAL 22 0.961 7.905 13.186 164 HG22 VAL 22 HG22 VAL 22 -0.047 6.854 12.192 165 HG23 VAL 22 HG23 VAL 22 1.025 8.028 11.428 166 H ILE 23 H ILE 23 1.901 3.216 9.841 167 HA ILE 23 HA ILE 23 -0.678 2.480 11.056 168 HB ILE 23 HB ILE 23 0.576 1.404 8.518 169 HG12 ILE 23 HG12 ILE 23 -1.900 3.087 8.966 170 HG13 ILE 23 HG13 ILE 23 -0.387 3.655 8.271 171 HG21 ILE 23 HG21 ILE 23 -1.531 0.136 8.270 172 HG22 ILE 23 HG22 ILE 23 -2.027 0.686 9.871 173 HG23 ILE 23 HG23 ILE 23 -0.614 -0.352 9.696 174 HD11 ILE 23 HD11 ILE 23 -0.697 2.156 6.375 175 HD12 ILE 23 HD12 ILE 23 -2.063 3.257 6.563 176 HD13 ILE 23 HD13 ILE 23 -2.206 1.578 7.081 177 H ASP 24 H ASP 24 -0.652 0.858 12.487 178 HA ASP 24 HA ASP 24 1.935 -0.473 12.909 179 HB2 ASP 24 HB2 ASP 24 0.810 1.048 14.683 180 HB3 ASP 24 HB3 ASP 24 -0.287 -0.306 14.934 181 H ASN 25 H ASN 25 0.858 -2.472 14.672 182 HA ASN 25 HA ASN 25 0.130 -4.374 12.646 183 HB2 ASN 25 HB2 ASN 25 0.728 -4.586 15.583 184 HB3 ASN 25 HB3 ASN 25 0.083 -5.955 14.680 185 HD21 ASN 25 HD21 ASN 25 1.344 -6.970 13.157 186 HD22 ASN 25 HD22 ASN 25 3.045 -6.674 13.001 187 H ASP 26 H ASP 26 -1.852 -4.296 11.922 188 HA ASP 26 HA ASP 26 -4.078 -4.458 13.852 189 HB2 ASP 26 HB2 ASP 26 -4.295 -2.508 12.385 190 HB3 ASP 26 HB3 ASP 26 -4.092 -3.524 10.963 191 H ASN 27 H ASN 27 -3.678 -5.311 10.452 192 HA ASN 27 HA ASN 27 -3.370 -8.094 10.960 193 HB2 ASN 27 HB2 ASN 27 -5.392 -8.967 10.240 194 HB3 ASN 27 HB3 ASN 27 -5.951 -7.530 11.089 195 HD21 ASN 27 HD21 ASN 27 -6.591 -5.710 9.867 196 HD22 ASN 27 HD22 ASN 27 -7.113 -5.900 8.225 197 H CYS 28 H CYS 28 -3.258 -9.248 8.754 198 HA CYS 28 HA CYS 28 -1.426 -7.674 7.211 199 HG CYS 28 HG CYS 28 -3.976 -10.694 6.791 200 HB2 CYS 28 HB2 CYS 28 -1.159 -9.822 5.920 201 HB3 CYS 28 HB3 CYS 28 -0.817 -9.927 7.643 202 H THR 29 H THR 29 -3.891 -6.514 6.919 203 HA THR 29 HA THR 29 -4.385 -6.950 4.057 204 HB THR 29 HB THR 29 -6.533 -6.398 6.123 205 HG1 THR 29 HG1 THR 29 -6.114 -8.548 6.229 206 HG21 THR 29 HG21 THR 29 -8.097 -6.680 4.227 207 HG22 THR 29 HG22 THR 29 -6.718 -6.762 3.128 208 HG23 THR 29 HG23 THR 29 -7.040 -5.283 4.032 209 H SER 30 H SER 30 -4.055 -5.142 2.940 210 HA SER 30 HA SER 30 -3.919 -2.610 4.406 211 HG SER 30 HG SER 30 -1.770 -1.268 3.153 212 HB2 SER 30 HB2 SER 30 -1.990 -3.367 2.954 213 HB3 SER 30 HB3 SER 30 -3.042 -3.147 1.557 214 H LYS 31 H LYS 31 -5.238 -0.905 3.955 215 HA LYS 31 HA LYS 31 -7.550 -1.539 2.231 216 HB2 LYS 31 HB2 LYS 31 -7.358 0.059 4.789 217 HB3 LYS 31 HB3 LYS 31 -8.777 0.071 3.754 218 HG2 LYS 31 HG2 LYS 31 -7.632 -2.407 5.018 219 HG3 LYS 31 HG3 LYS 31 -8.936 -1.442 5.712 220 HD2 LYS 31 HD2 LYS 31 -8.989 -2.816 3.028 221 HD3 LYS 31 HD3 LYS 31 -9.804 -3.372 4.489 222 HE2 LYS 31 HE2 LYS 31 -11.134 -1.295 4.512 223 HE3 LYS 31 HE3 LYS 31 -10.347 -0.791 3.018 224 HZ1 LYS 31 HZ1 LYS 31 -11.273 -2.749 1.929 225 HZ2 LYS 31 HZ2 LYS 31 -12.501 -1.777 2.564 226 HZ3 LYS 31 HZ3 LYS 31 -12.047 -3.203 3.363 227 H PHE 32 H PHE 32 -8.258 -0.063 0.798 228 HA PHE 32 HA PHE 32 -7.301 2.692 1.037 229 HD1 PHE 32 HD1 PHE 32 -5.411 4.065 -0.592 230 HD2 PHE 32 HD2 PHE 32 -8.725 2.697 -2.885 231 HE1 PHE 32 HE1 PHE 32 -5.511 6.240 -1.737 232 HE2 PHE 32 HE2 PHE 32 -8.829 4.870 -4.036 233 HZ PHE 32 HZ PHE 32 -7.224 6.643 -3.461 234 HB2 PHE 32 HB2 PHE 32 -5.974 1.662 -0.775 235 HB3 PHE 32 HB3 PHE 32 -7.461 1.167 -1.580 236 H SER 33 H SER 33 -9.010 3.940 1.282 237 HA SER 33 HA SER 33 -11.463 3.288 -0.182 238 HG SER 33 HG SER 33 -12.188 1.648 1.950 239 HB2 SER 33 HB2 SER 33 -11.431 4.263 2.683 240 HB3 SER 33 HB3 SER 33 -12.823 3.717 1.751 241 H ARG 34 H ARG 34 -11.956 4.951 -1.466 242 HA ARG 34 HA ARG 34 -11.734 7.661 -0.429 243 HE ARG 34 HE ARG 34 -10.089 11.116 -3.715 244 HB2 ARG 34 HB2 ARG 34 -9.545 7.281 -1.469 245 HB3 ARG 34 HB3 ARG 34 -10.332 6.807 -2.969 246 HG2 ARG 34 HG2 ARG 34 -11.341 9.091 -3.058 247 HG3 ARG 34 HG3 ARG 34 -10.329 9.524 -1.682 248 HD2 ARG 34 HD2 ARG 34 -8.335 9.128 -2.942 249 HD3 ARG 34 HD3 ARG 34 -9.259 8.463 -4.289 250 HH11 ARG 34 HH11 ARG 34 -7.512 9.291 -5.211 251 HH12 ARG 34 HH12 ARG 34 -7.066 10.564 -6.312 252 HH21 ARG 34 HH21 ARG 34 -9.515 12.798 -5.152 253 HH22 ARG 34 HH22 ARG 34 -8.200 12.563 -6.265 254 H PHE 35 H PHE 35 -13.039 9.150 -1.486 255 HA PHE 35 HA PHE 35 -15.170 8.058 -3.113 256 HD1 PHE 35 HD2 PHE 35 -16.993 8.400 -0.908 257 HD2 PHE 35 HD1 PHE 35 -13.920 11.285 -0.339 258 HE1 PHE 35 HE2 PHE 35 -17.184 8.121 1.528 259 HE2 PHE 35 HE1 PHE 35 -14.102 11.012 2.098 260 HZ PHE 35 HZ PHE 35 -15.738 9.426 3.033 261 HB2 PHE 35 HB2 PHE 35 -14.830 10.972 -2.461 262 HB3 PHE 35 HB3 PHE 35 -16.316 10.059 -2.690 263 H PHE 36 H PHE 36 -14.984 7.977 -5.255 264 HA PHE 36 HA PHE 36 -13.134 9.838 -6.579 265 HD1 PHE 36 HD2 PHE 36 -12.840 6.169 -5.523 266 HD2 PHE 36 HD1 PHE 36 -11.050 8.613 -8.510 267 HE1 PHE 36 HE2 PHE 36 -10.615 5.377 -4.833 268 HE2 PHE 36 HE1 PHE 36 -8.822 7.824 -7.829 269 HZ PHE 36 HZ PHE 36 -8.603 6.205 -5.985 270 HB2 PHE 36 HB2 PHE 36 -14.150 7.112 -7.358 271 HB3 PHE 36 HB3 PHE 36 -13.403 8.188 -8.534 272 H ALA 37 H ALA 37 -13.780 10.780 -8.612 273 HA ALA 37 HA ALA 37 -16.270 12.040 -8.478 274 HB1 ALA 37 HB1 ALA 37 -15.779 12.918 -10.682 275 HB2 ALA 37 HB2 ALA 37 -14.527 11.695 -10.911 276 HB3 ALA 37 HB3 ALA 37 -14.328 12.942 -9.680 277 H THR 38 H THR 38 -15.220 9.337 -10.530 278 HA THR 38 HA THR 38 -18.053 8.637 -10.899 279 HB THR 38 HB THR 38 -16.178 8.152 -13.164 280 HG1 THR 38 HG1 THR 38 -17.582 10.613 -13.042 281 HG21 THR 38 HG21 THR 38 -18.211 8.471 -14.486 282 HG22 THR 38 HG22 THR 38 -19.097 8.914 -13.028 283 HG23 THR 38 HG23 THR 38 -18.470 7.278 -13.215 284 H ARG 39 H ARG 39 -18.361 6.367 -11.523 285 HA ARG 39 HA ARG 39 -16.914 4.567 -9.968 286 HE ARG 39 HE ARG 39 -18.256 -0.094 -12.341 287 HB2 ARG 39 HB2 ARG 39 -19.161 4.097 -10.714 288 HB3 ARG 39 HB3 ARG 39 -18.650 4.090 -12.390 289 HG2 ARG 39 HG2 ARG 39 -17.315 2.105 -12.009 290 HG3 ARG 39 HG3 ARG 39 -17.745 2.129 -10.298 291 HD2 ARG 39 HD2 ARG 39 -20.027 1.676 -10.784 292 HD3 ARG 39 HD3 ARG 39 -19.769 1.924 -12.511 293 HH11 ARG 39 HH11 ARG 39 -20.961 0.396 -10.148 294 HH12 ARG 39 HH12 ARG 39 -21.261 -1.311 -9.952 295 HH21 ARG 39 HH21 ARG 39 -18.673 -2.322 -12.096 296 HH22 ARG 39 HH22 ARG 39 -19.957 -2.855 -11.047 297 H GLU 40 H GLU 40 -16.478 5.568 -13.294 298 HA GLU 40 HA GLU 40 -14.638 3.656 -14.138 299 HB2 GLU 40 HB2 GLU 40 -14.816 6.582 -14.854 300 HB3 GLU 40 HB3 GLU 40 -13.885 5.379 -15.733 301 HG2 GLU 40 HG2 GLU 40 -15.957 4.149 -16.192 302 HG3 GLU 40 HG3 GLU 40 -16.869 5.414 -15.372 303 H GLU 41 H GLU 41 -14.095 6.806 -12.627 304 HA GLU 41 HA GLU 41 -11.341 6.813 -12.418 305 HB2 GLU 41 HB2 GLU 41 -13.317 7.804 -10.354 306 HB3 GLU 41 HB3 GLU 41 -11.639 8.303 -10.491 307 HG2 GLU 41 HG2 GLU 41 -13.746 8.765 -12.585 308 HG3 GLU 41 HG3 GLU 41 -13.234 9.948 -11.385 309 H ALA 42 H ALA 42 -13.722 5.113 -10.541 310 HA ALA 42 HA ALA 42 -11.938 4.303 -8.448 311 HB1 ALA 42 HB1 ALA 42 -14.347 4.582 -8.071 312 HB2 ALA 42 HB2 ALA 42 -13.795 2.960 -7.652 313 HB3 ALA 42 HB3 ALA 42 -14.666 3.233 -9.162 314 H GLU 43 H GLU 43 -13.518 2.606 -11.161 315 HA GLU 43 HA GLU 43 -12.284 0.122 -10.617 316 HB2 GLU 43 HB2 GLU 43 -13.567 1.142 -13.151 317 HB3 GLU 43 HB3 GLU 43 -13.067 -0.523 -12.890 318 HG2 GLU 43 HG2 GLU 43 -14.584 -0.422 -10.814 319 HG3 GLU 43 HG3 GLU 43 -15.271 1.008 -11.581 320 H SER 44 H SER 44 -11.325 2.853 -12.619 321 HA SER 44 HA SER 44 -9.216 1.564 -13.973 322 HG SER 44 HG SER 44 -10.789 2.989 -14.966 323 HB2 SER 44 HB2 SER 44 -9.485 4.468 -13.162 324 HB3 SER 44 HB3 SER 44 -8.314 3.841 -14.323 325 H PHE 45 H PHE 45 -9.453 3.008 -10.770 326 HA PHE 45 HA PHE 45 -6.633 2.831 -10.251 327 HD1 PHE 45 HD2 PHE 45 -5.847 5.107 -9.064 328 HD2 PHE 45 HD1 PHE 45 -7.690 2.516 -6.233 329 HE1 PHE 45 HE2 PHE 45 -4.030 5.562 -7.468 330 HE2 PHE 45 HE1 PHE 45 -5.879 2.967 -4.634 331 HZ PHE 45 HZ PHE 45 -4.045 4.492 -5.249 332 HB2 PHE 45 HB2 PHE 45 -8.297 4.453 -9.165 333 HB3 PHE 45 HB3 PHE 45 -8.827 3.086 -8.190 334 H MET 46 H MET 46 -9.509 0.930 -9.595 335 HA MET 46 HA MET 46 -8.371 -1.018 -7.926 336 HB2 MET 46 HB2 MET 46 -10.794 -0.748 -8.270 337 HB3 MET 46 HB3 MET 46 -10.624 -1.312 -9.923 338 HG2 MET 46 HG2 MET 46 -11.410 -3.172 -8.811 339 HG3 MET 46 HG3 MET 46 -9.672 -3.458 -8.874 340 HE1 MET 46 HE1 MET 46 -8.108 -3.576 -6.774 341 HE2 MET 46 HE2 MET 46 -8.528 -2.870 -5.213 342 HE3 MET 46 HE3 MET 46 -8.351 -1.836 -6.631 343 H THR 47 H THR 47 -8.463 -0.705 -11.428 344 HA THR 47 HA THR 47 -7.636 -3.310 -12.084 345 HB THR 47 HB THR 47 -7.169 -0.776 -13.674 346 HG1 THR 47 HG1 THR 47 -9.369 -0.990 -13.269 347 HG21 THR 47 HG21 THR 47 -7.149 -2.265 -15.614 348 HG22 THR 47 HG22 THR 47 -7.361 -3.660 -14.560 349 HG23 THR 47 HG23 THR 47 -5.877 -2.714 -14.479 350 H LYS 48 H LYS 48 -5.709 -0.307 -11.797 351 HA LYS 48 HA LYS 48 -3.253 -1.594 -12.338 352 HB2 LYS 48 HB2 LYS 48 -2.213 0.469 -11.402 353 HB3 LYS 48 HB3 LYS 48 -3.370 0.747 -12.696 354 HG2 LYS 48 HG2 LYS 48 -5.042 1.444 -11.131 355 HG3 LYS 48 HG3 LYS 48 -4.004 1.009 -9.769 356 HD2 LYS 48 HD2 LYS 48 -3.318 3.080 -11.845 357 HD3 LYS 48 HD3 LYS 48 -4.053 3.433 -10.285 358 HE2 LYS 48 HE2 LYS 48 -2.133 2.521 -9.129 359 HE3 LYS 48 HE3 LYS 48 -1.410 2.037 -10.661 360 HZ1 LYS 48 HZ1 LYS 48 -2.004 4.852 -9.912 361 HZ2 LYS 48 HZ2 LYS 48 -1.142 4.317 -11.274 362 HZ3 LYS 48 HZ3 LYS 48 -0.493 4.109 -9.723 363 H LEU 49 H LEU 49 -5.091 -1.118 -9.425 364 HA LEU 49 HA LEU 49 -3.083 -1.733 -7.548 365 HG LEU 49 HG LEU 49 -5.844 -0.275 -5.645 366 HB2 LEU 49 HB2 LEU 49 -6.024 -1.598 -7.581 367 HB3 LEU 49 HB3 LEU 49 -5.349 -2.668 -6.369 368 HD11 LEU 49 HD11 LEU 49 -4.437 -1.815 -4.364 369 HD12 LEU 49 HD12 LEU 49 -3.862 -0.151 -4.249 370 HD13 LEU 49 HD13 LEU 49 -3.033 -1.301 -5.300 371 HD21 LEU 49 HD21 LEU 49 -4.134 1.391 -6.156 372 HD22 LEU 49 HD22 LEU 49 -4.953 0.857 -7.623 373 HD23 LEU 49 HD23 LEU 49 -3.339 0.254 -7.246 374 H LYS 50 H LYS 50 -5.211 -3.758 -9.494 375 HA LYS 50 HA LYS 50 -4.673 -6.233 -8.306 376 HB2 LYS 50 HB2 LYS 50 -5.288 -5.494 -11.167 377 HB3 LYS 50 HB3 LYS 50 -5.288 -7.137 -10.555 378 HG2 LYS 50 HG2 LYS 50 -7.214 -6.833 -9.336 379 HG3 LYS 50 HG3 LYS 50 -7.000 -5.081 -9.234 380 HD2 LYS 50 HD2 LYS 50 -7.902 -4.714 -11.284 381 HD3 LYS 50 HD3 LYS 50 -7.309 -6.241 -11.929 382 HE2 LYS 50 HE2 LYS 50 -9.056 -7.418 -10.614 383 HE3 LYS 50 HE3 LYS 50 -9.677 -5.851 -10.096 384 HZ1 LYS 50 HZ1 LYS 50 -10.160 -5.307 -12.395 385 HZ2 LYS 50 HZ2 LYS 50 -10.920 -6.763 -11.977 386 HZ3 LYS 50 HZ3 LYS 50 -9.506 -6.784 -12.913 387 H GLU 51 H GLU 51 -3.039 -4.473 -10.896 388 HA GLU 51 HA GLU 51 -1.108 -6.448 -11.491 389 HB2 GLU 51 HB2 GLU 51 -0.840 -3.460 -11.856 390 HB3 GLU 51 HB3 GLU 51 0.040 -4.710 -12.719 391 HG2 GLU 51 HG2 GLU 51 -2.061 -5.470 -13.729 392 HG3 GLU 51 HG3 GLU 51 -2.913 -4.170 -12.894 393 H LEU 52 H LEU 52 -1.100 -3.646 -9.349 394 HA LEU 52 HA LEU 52 1.612 -3.824 -8.584 395 HG LEU 52 HG LEU 52 -0.200 -1.544 -9.377 396 HB2 LEU 52 HB2 LEU 52 -0.758 -2.588 -7.191 397 HB3 LEU 52 HB3 LEU 52 0.908 -2.364 -6.688 398 HD11 LEU 52 HD11 LEU 52 -1.137 -0.194 -7.571 399 HD12 LEU 52 HD12 LEU 52 -0.015 0.740 -8.559 400 HD13 LEU 52 HD13 LEU 52 0.490 0.145 -6.977 401 HD21 LEU 52 HD21 LEU 52 2.468 -1.006 -8.076 402 HD22 LEU 52 HD22 LEU 52 1.920 -0.352 -9.620 403 HD23 LEU 52 HD23 LEU 52 2.176 -2.087 -9.439 404 H ALA 53 H ALA 53 -1.297 -5.362 -7.364 405 HA ALA 53 HA ALA 53 -0.220 -6.398 -4.972 406 HB1 ALA 53 HB1 ALA 53 -2.396 -7.553 -6.713 407 HB2 ALA 53 HB2 ALA 53 -2.619 -6.363 -5.431 408 HB3 ALA 53 HB3 ALA 53 -2.068 -7.992 -5.037 409 H ALA 54 H ALA 54 -0.125 -7.497 -8.295 410 HA ALA 54 HA ALA 54 1.008 -10.054 -7.757 411 HB1 ALA 54 HB1 ALA 54 1.460 -10.139 -10.150 412 HB2 ALA 54 HB2 ALA 54 1.083 -8.423 -10.293 413 HB3 ALA 54 HB3 ALA 54 -0.178 -9.568 -9.839 414 H ALA 55 H ALA 55 2.298 -6.841 -8.221 415 HA ALA 55 HA ALA 55 5.018 -7.719 -8.512 416 HB1 ALA 55 HB1 ALA 55 5.586 -5.346 -8.339 417 HB2 ALA 55 HB2 ALA 55 3.920 -4.980 -7.890 418 HB3 ALA 55 HB3 ALA 55 4.281 -5.613 -9.496 419 H ALA 56 H ALA 56 2.927 -6.789 -5.873 420 HA ALA 56 HA ALA 56 5.065 -6.466 -3.980 421 HB1 ALA 56 HB1 ALA 56 2.093 -6.682 -3.542 422 HB2 ALA 56 HB2 ALA 56 3.013 -5.191 -3.755 423 HB3 ALA 56 HB3 ALA 56 3.283 -6.200 -2.333 424 H SER 57 H SER 57 2.475 -8.891 -4.400 425 HA SER 57 HA SER 57 4.040 -10.671 -2.653 426 HG SER 57 HG SER 57 2.734 -9.420 -1.291 427 HB2 SER 57 HB2 SER 57 1.055 -10.600 -3.111 428 HB3 SER 57 HB3 SER 57 1.895 -11.745 -2.067 429 H SER 58 H SER 58 2.361 -10.389 -5.649 430 HA SER 58 HA SER 58 2.264 -11.618 -7.537 431 HG SER 58 HG SER 58 4.497 -10.942 -7.410 432 HB2 SER 58 HB2 SER 58 4.324 -13.421 -6.225 433 HB3 SER 58 HB3 SER 58 3.890 -13.406 -7.934 434 H ALA 59 H ALA 59 2.851 -14.055 -5.070 435 HA ALA 59 HA ALA 59 1.759 -15.968 -4.475 436 HB1 ALA 59 HB1 ALA 59 0.450 -14.236 -3.344 437 HB2 ALA 59 HB2 ALA 59 -0.521 -15.649 -3.755 438 HB3 ALA 59 HB3 ALA 59 -0.649 -14.180 -4.723 439 H ASP 60 H ASP 60 1.890 -15.360 -7.487 440 HA ASP 60 HA ASP 60 1.324 -16.346 -9.437 441 HB2 ASP 60 HB2 ASP 60 0.128 -18.388 -7.576 442 HB3 ASP 60 HB3 ASP 60 -0.002 -18.536 -9.326 443 H GLU 61 H GLU 61 -1.541 -16.741 -7.362 444 HA GLU 61 HA GLU 61 -3.275 -15.927 -9.543 445 HB2 GLU 61 HB2 GLU 61 -3.885 -17.785 -8.022 446 HB3 GLU 61 HB3 GLU 61 -3.924 -16.652 -6.679 447 HG2 GLU 61 HG2 GLU 61 -5.767 -15.458 -7.716 448 HG3 GLU 61 HG3 GLU 61 -5.711 -16.551 -9.099 449 H GLY 62 H GLY 62 -1.802 -14.565 -6.738 450 HA2 GLY 62 HA2 GLY 62 -1.622 -12.115 -6.731 451 HA3 GLY 62 HA3 GLY 62 -3.323 -12.073 -7.175 452 H ALA 63 H ALA 63 -2.630 -10.602 -5.067 453 HA ALA 63 HA ALA 63 -2.927 -12.009 -2.590 454 HB1 ALA 63 HB1 ALA 63 -3.060 -9.801 -1.581 455 HB2 ALA 63 HB2 ALA 63 -3.234 -9.065 -3.174 456 HB3 ALA 63 HB3 ALA 63 -1.727 -9.870 -2.734 457 H SER 64 H SER 64 -4.734 -11.891 -1.175 458 HA SER 64 HA SER 64 -7.227 -12.260 -2.487 459 HG SER 64 HG SER 64 -6.724 -14.159 -1.382 460 HB2 SER 64 HB2 SER 64 -6.533 -12.021 0.449 461 HB3 SER 64 HB3 SER 64 -8.108 -12.515 -0.172 462 H VAL 65 H VAL 65 -8.181 -10.543 -3.397 463 HA VAL 65 HA VAL 65 -8.164 -8.006 -1.955 464 HB VAL 65 HB VAL 65 -7.322 -7.824 -4.203 465 HG11 VAL 65 HG11 VAL 65 -8.698 -8.327 -6.170 466 HG12 VAL 65 HG12 VAL 65 -9.947 -8.991 -5.118 467 HG13 VAL 65 HG13 VAL 65 -8.367 -9.771 -5.211 468 HG21 VAL 65 HG21 VAL 65 -8.611 -5.939 -3.378 469 HG22 VAL 65 HG22 VAL 65 -10.098 -6.657 -4.003 470 HG23 VAL 65 HG23 VAL 65 -8.838 -6.126 -5.117 471 H ALA 66 H ALA 66 -9.835 -7.510 -0.808 472 HA ALA 66 HA ALA 66 -12.522 -8.398 -1.618 473 HB1 ALA 66 HB1 ALA 66 -11.570 -7.252 1.014 474 HB2 ALA 66 HB2 ALA 66 -11.902 -8.953 0.687 475 HB3 ALA 66 HB3 ALA 66 -13.216 -7.776 0.655 476 H TYR 67 H TYR 67 -13.249 -6.933 -3.064 477 HA TYR 67 HA TYR 67 -12.663 -4.102 -2.536 478 HD1 TYR 67 HD2 TYR 67 -12.146 -7.358 -5.077 479 HD2 TYR 67 HD1 TYR 67 -14.750 -4.200 -6.237 480 HE1 TYR 67 HE2 TYR 67 -13.284 -8.878 -6.640 481 HE2 TYR 67 HE1 TYR 67 -15.893 -5.709 -7.800 482 HH TYR 67 HH TYR 67 -15.408 -9.103 -7.762 483 HB2 TYR 67 HB2 TYR 67 -12.797 -3.732 -4.944 484 HB3 TYR 67 HB3 TYR 67 -11.617 -4.984 -4.583 485 H LYS 68 H LYS 68 -14.238 -2.565 -2.780 486 HA LYS 68 HA LYS 68 -16.878 -3.430 -3.694 487 HB2 LYS 68 HB2 LYS 68 -16.249 -1.838 -1.231 488 HB3 LYS 68 HB3 LYS 68 -17.787 -1.646 -2.057 489 HG2 LYS 68 HG2 LYS 68 -18.179 -4.063 -1.805 490 HG3 LYS 68 HG3 LYS 68 -16.688 -4.174 -0.882 491 HD2 LYS 68 HD2 LYS 68 -17.584 -2.650 0.793 492 HD3 LYS 68 HD3 LYS 68 -19.061 -2.459 -0.154 493 HE2 LYS 68 HE2 LYS 68 -19.479 -4.887 0.095 494 HE3 LYS 68 HE3 LYS 68 -18.063 -4.994 1.138 495 HZ1 LYS 68 HZ1 LYS 68 -20.494 -3.365 1.673 496 HZ2 LYS 68 HZ2 LYS 68 -19.131 -3.458 2.675 497 HZ3 LYS 68 HZ3 LYS 68 -20.094 -4.828 2.428 498 H ILE 69 H ILE 69 -17.864 -2.124 -5.000 499 HA ILE 69 HA ILE 69 -16.715 0.535 -5.546 500 HB ILE 69 HB ILE 69 -17.768 -1.367 -7.659 501 HG12 ILE 69 HG12 ILE 69 -14.902 -0.524 -7.147 502 HG13 ILE 69 HG13 ILE 69 -15.577 -2.084 -6.689 503 HG21 ILE 69 HG21 ILE 69 -16.448 1.337 -7.870 504 HG22 ILE 69 HG22 ILE 69 -18.134 0.956 -8.222 505 HG23 ILE 69 HG23 ILE 69 -16.852 0.297 -9.236 506 HD11 ILE 69 HD11 ILE 69 -16.004 -2.582 -9.045 507 HD12 ILE 69 HD12 ILE 69 -14.298 -2.250 -8.741 508 HD13 ILE 69 HD13 ILE 69 -15.316 -1.022 -9.493 509 H LYS 70 H LYS 70 -18.242 1.842 -4.765 510 HA LYS 70 HA LYS 70 -21.046 1.013 -5.088 511 HB2 LYS 70 HB2 LYS 70 -20.145 1.100 -2.778 512 HB3 LYS 70 HB3 LYS 70 -19.877 2.823 -2.977 513 HG2 LYS 70 HG2 LYS 70 -22.206 3.249 -3.105 514 HG3 LYS 70 HG3 LYS 70 -22.575 1.526 -3.239 515 HD2 LYS 70 HD2 LYS 70 -21.651 1.184 -0.978 516 HD3 LYS 70 HD3 LYS 70 -21.370 2.920 -0.851 517 HE2 LYS 70 HE2 LYS 70 -23.733 3.358 -0.993 518 HE3 LYS 70 HE3 LYS 70 -24.068 1.656 -1.307 519 HZ1 LYS 70 HZ1 LYS 70 -22.864 2.711 1.196 520 HZ2 LYS 70 HZ2 LYS 70 -23.305 1.100 0.887 521 HZ3 LYS 70 HZ3 LYS 70 -24.500 2.302 1.001 522 H ASP 71 H ASP 71 -22.203 2.125 -6.398 523 HA ASP 71 HA ASP 71 -21.260 4.615 -7.523 524 HB2 ASP 71 HB2 ASP 71 -23.670 2.873 -8.077 525 HB3 ASP 71 HB3 ASP 71 -23.389 4.402 -8.889 526 H LEU 72 H LEU 72 -21.585 6.404 -6.353 527 HA LEU 72 HA LEU 72 -24.112 6.689 -4.888 528 HG LEU 72 HG LEU 72 -21.293 5.971 -3.754 529 HB2 LEU 72 HB2 LEU 72 -21.566 8.291 -4.613 530 HB3 LEU 72 HB3 LEU 72 -23.000 8.451 -3.617 531 HD11 LEU 72 HD11 LEU 72 -21.389 8.147 -1.669 532 HD12 LEU 72 HD12 LEU 72 -20.048 7.807 -2.762 533 HD13 LEU 72 HD13 LEU 72 -20.501 6.630 -1.531 534 HD21 LEU 72 HD21 LEU 72 -23.568 6.759 -1.943 535 HD22 LEU 72 HD22 LEU 72 -22.548 5.338 -1.730 536 HD23 LEU 72 HD23 LEU 72 -23.578 5.477 -3.153 537 H GLU 73 H GLU 73 -24.589 9.229 -4.698 538 HA GLU 73 HA GLU 73 -25.076 10.028 -7.452 539 HB2 GLU 73 HB2 GLU 73 -26.123 11.040 -4.814 540 HB3 GLU 73 HB3 GLU 73 -26.420 11.888 -6.325 541 HG2 GLU 73 HG2 GLU 73 -28.318 10.554 -5.863 542 HG3 GLU 73 HG3 GLU 73 -27.463 9.812 -7.210 543 H GLY 74 H GLY 74 -23.368 10.954 -8.349 544 HA2 GLY 74 HA2 GLY 74 -22.267 12.998 -8.843 545 HA3 GLY 74 HA3 GLY 74 -22.451 13.474 -7.161 546 H GLN 75 H GLN 75 -21.484 10.424 -6.897 547 HA GLN 75 HA GLN 75 -18.722 10.536 -7.562 548 HB2 GLN 75 HB2 GLN 75 -17.894 10.496 -5.182 549 HB3 GLN 75 HB3 GLN 75 -18.496 12.053 -5.726 550 HG2 GLN 75 HG2 GLN 75 -20.562 11.724 -4.532 551 HG3 GLN 75 HG3 GLN 75 -20.072 10.093 -4.075 552 HE21 GLN 75 HE21 GLN 75 -20.312 10.617 -1.889 553 HE22 GLN 75 HE22 GLN 75 -19.135 11.582 -1.056 554 H VAL 76 H VAL 76 -17.566 8.671 -6.208 555 HA VAL 76 HA VAL 76 -19.493 6.538 -5.609 556 HB VAL 76 HB VAL 76 -18.124 4.869 -6.791 557 HG11 VAL 76 HG11 VAL 76 -18.788 5.477 -9.088 558 HG12 VAL 76 HG12 VAL 76 -19.157 7.108 -8.522 559 HG13 VAL 76 HG13 VAL 76 -20.075 5.733 -7.906 560 HG21 VAL 76 HG21 VAL 76 -15.998 6.080 -6.765 561 HG22 VAL 76 HG22 VAL 76 -16.645 7.237 -7.928 562 HG23 VAL 76 HG23 VAL 76 -16.425 5.550 -8.392 563 H GLU 77 H GLU 77 -18.622 4.834 -4.325 564 HA GLU 77 HA GLU 77 -16.329 5.680 -2.690 565 HB2 GLU 77 HB2 GLU 77 -18.435 5.251 -1.486 566 HB3 GLU 77 HB3 GLU 77 -18.497 3.628 -2.155 567 HG2 GLU 77 HG2 GLU 77 -17.688 3.267 -0.032 568 HG3 GLU 77 HG3 GLU 77 -16.213 3.312 -0.994 569 H LEU 78 H LEU 78 -14.451 4.796 -3.317 570 HA LEU 78 HA LEU 78 -14.477 2.073 -4.422 571 HG LEU 78 HG LEU 78 -11.516 2.761 -6.516 572 HB2 LEU 78 HB2 LEU 78 -13.365 3.932 -5.713 573 HB3 LEU 78 HB3 LEU 78 -12.200 4.062 -4.413 574 HD11 LEU 78 HD11 LEU 78 -10.230 1.126 -5.241 575 HD12 LEU 78 HD12 LEU 78 -11.241 1.422 -3.827 576 HD13 LEU 78 HD13 LEU 78 -10.211 2.706 -4.459 577 HD21 LEU 78 HD21 LEU 78 -12.149 0.369 -6.491 578 HD22 LEU 78 HD22 LEU 78 -13.505 1.444 -6.831 579 HD23 LEU 78 HD23 LEU 78 -13.329 0.723 -5.230 580 H ASP 79 H ASP 79 -14.109 0.518 -3.026 581 HA ASP 79 HA ASP 79 -12.391 1.105 -0.701 582 HB2 ASP 79 HB2 ASP 79 -14.786 0.935 -0.087 583 HB3 ASP 79 HB3 ASP 79 -14.824 -0.696 -0.750 584 H ALA 80 H ALA 80 -10.566 0.051 -0.935 585 HA ALA 80 HA ALA 80 -10.633 -2.649 -2.113 586 HB1 ALA 80 HB1 ALA 80 -8.304 -2.292 -2.753 587 HB2 ALA 80 HB2 ALA 80 -8.345 -0.686 -2.025 588 HB3 ALA 80 HB3 ALA 80 -9.350 -1.043 -3.427 589 H ALA 81 H ALA 81 -9.725 -4.320 -1.048 590 HA ALA 81 HA ALA 81 -8.201 -3.838 1.400 591 HB1 ALA 81 HB1 ALA 81 -10.527 -4.213 2.092 592 HB2 ALA 81 HB2 ALA 81 -9.476 -5.533 2.609 593 HB3 ALA 81 HB3 ALA 81 -10.537 -5.742 1.215 594 H PHE 82 H PHE 82 -6.294 -4.720 0.845 595 HA PHE 82 HA PHE 82 -6.319 -7.265 -0.629 596 HD1 PHE 82 HD2 PHE 82 -5.655 -3.565 -1.487 597 HD2 PHE 82 HD1 PHE 82 -4.526 -7.296 -3.193 598 HE1 PHE 82 HE2 PHE 82 -6.354 -2.760 -3.704 599 HE2 PHE 82 HE1 PHE 82 -5.218 -6.496 -5.412 600 HZ PHE 82 HZ PHE 82 -6.135 -4.227 -5.670 601 HB2 PHE 82 HB2 PHE 82 -4.198 -5.143 -0.300 602 HB3 PHE 82 HB3 PHE 82 -3.853 -6.726 -0.984 603 H THR 83 H THR 83 -6.224 -8.971 0.626 604 HA THR 83 HA THR 83 -4.751 -8.889 3.142 605 HB THR 83 HB THR 83 -6.444 -11.079 1.911 606 HG1 THR 83 HG1 THR 83 -6.920 -9.119 3.932 607 HG21 THR 83 HG21 THR 83 -5.206 -10.884 4.662 608 HG22 THR 83 HG22 THR 83 -4.731 -12.008 3.388 609 HG23 THR 83 HG23 THR 83 -6.328 -12.136 4.126 610 H PHE 84 H PHE 84 -2.737 -9.539 3.289 611 HA PHE 84 HA PHE 84 -1.579 -11.057 1.044 612 HD1 PHE 84 HD1 PHE 84 -0.171 -9.272 -0.597 613 HD2 PHE 84 HD2 PHE 84 -1.202 -7.253 3.007 614 HE1 PHE 84 HE1 PHE 84 -0.666 -7.237 -1.885 615 HE2 PHE 84 HE2 PHE 84 -1.700 -5.215 1.724 616 HZ PHE 84 HZ PHE 84 -1.429 -5.207 -0.723 617 HB2 PHE 84 HB2 PHE 84 -0.160 -9.346 3.100 618 HB3 PHE 84 HB3 PHE 84 0.554 -10.078 1.668 619 H SER 85 H SER 85 0.620 -12.109 2.037 620 HA SER 85 HA SER 85 -0.234 -14.188 3.756 621 HG SER 85 HG SER 85 0.662 -14.777 1.559 622 HB2 SER 85 HB2 SER 85 2.620 -13.430 3.114 623 HB3 SER 85 HB3 SER 85 2.003 -15.022 3.561 624 H CYS 86 H CYS 86 1.814 -11.331 4.202 625 HA CYS 86 HA CYS 86 1.193 -11.349 7.044 626 HG CYS 86 HG CYS 86 4.559 -12.064 8.944 627 HB2 CYS 86 HB2 CYS 86 3.282 -12.718 6.757 628 HB3 CYS 86 HB3 CYS 86 4.063 -11.295 6.077 629 H GLN 87 H GLN 87 2.510 -9.305 8.008 630 HA GLN 87 HA GLN 87 1.486 -7.079 6.521 631 HB2 GLN 87 HB2 GLN 87 1.344 -7.051 8.936 632 HB3 GLN 87 HB3 GLN 87 3.092 -7.180 9.079 633 HG2 GLN 87 HG2 GLN 87 3.418 -4.993 8.258 634 HG3 GLN 87 HG3 GLN 87 1.750 -4.870 7.708 635 HE21 GLN 87 HE21 GLN 87 0.131 -4.444 9.187 636 HE22 GLN 87 HE22 GLN 87 0.470 -3.868 10.780 637 H ALA 88 H ALA 88 4.475 -8.714 6.575 638 HA ALA 88 HA ALA 88 6.288 -6.665 5.999 639 HB1 ALA 88 HB1 ALA 88 7.677 -8.419 4.996 640 HB2 ALA 88 HB2 ALA 88 6.300 -9.522 5.032 641 HB3 ALA 88 HB3 ALA 88 6.994 -8.928 6.541 642 H GLU 89 H GLU 89 4.456 -8.750 3.763 643 HA GLU 89 HA GLU 89 5.176 -7.178 1.483 644 HB2 GLU 89 HB2 GLU 89 3.150 -8.520 0.469 645 HB3 GLU 89 HB3 GLU 89 4.683 -9.306 0.794 646 HG2 GLU 89 HG2 GLU 89 2.521 -9.342 2.848 647 HG3 GLU 89 HG3 GLU 89 2.470 -10.452 1.478 648 H MET 90 H MET 90 2.648 -7.068 3.830 649 HA MET 90 HA MET 90 0.741 -5.537 2.460 650 HB2 MET 90 HB2 MET 90 0.160 -6.518 4.565 651 HB3 MET 90 HB3 MET 90 1.459 -5.664 5.385 652 HG2 MET 90 HG2 MET 90 0.292 -3.523 4.847 653 HG3 MET 90 HG3 MET 90 -1.057 -4.477 4.234 654 HE1 MET 90 HE1 MET 90 -2.282 -2.952 7.672 655 HE2 MET 90 HE2 MET 90 -2.578 -3.023 5.934 656 HE3 MET 90 HE3 MET 90 -1.139 -2.213 6.551 657 H ILE 91 H ILE 91 3.329 -4.415 4.659 658 HA ILE 91 HA ILE 91 2.724 -1.693 4.357 659 HB ILE 91 HB ILE 91 5.052 -1.327 5.281 660 HG12 ILE 91 HG12 ILE 91 5.011 -4.332 5.589 661 HG13 ILE 91 HG13 ILE 91 5.979 -3.482 4.393 662 HG21 ILE 91 HG21 ILE 91 4.435 -2.161 7.510 663 HG22 ILE 91 HG22 ILE 91 3.154 -3.126 6.777 664 HG23 ILE 91 HG23 ILE 91 3.090 -1.364 6.694 665 HD11 ILE 91 HD11 ILE 91 7.337 -4.066 6.293 666 HD12 ILE 91 HD12 ILE 91 6.213 -3.259 7.385 667 HD13 ILE 91 HD13 ILE 91 7.148 -2.313 6.226 668 H ILE 92 H ILE 92 5.154 -3.714 2.695 669 HA ILE 92 HA ILE 92 6.349 -1.558 1.332 670 HB ILE 92 HB ILE 92 7.322 -3.249 -0.186 671 HG12 ILE 92 HG12 ILE 92 6.912 -5.694 0.824 672 HG13 ILE 92 HG13 ILE 92 5.328 -5.000 1.149 673 HG21 ILE 92 HG21 ILE 92 7.487 -3.845 2.757 674 HG22 ILE 92 HG22 ILE 92 8.463 -2.691 1.848 675 HG23 ILE 92 HG23 ILE 92 8.632 -4.420 1.545 676 HD11 ILE 92 HD11 ILE 92 6.662 -5.159 -1.543 677 HD12 ILE 92 HD12 ILE 92 5.068 -4.475 -1.217 678 HD13 ILE 92 HD13 ILE 92 5.361 -6.195 -0.963 679 H PHE 93 H PHE 93 3.532 -3.471 0.675 680 HA PHE 93 HA PHE 93 3.198 -2.856 -2.055 681 HD1 PHE 93 HD2 PHE 93 1.521 -4.134 -3.575 682 HD2 PHE 93 HD1 PHE 93 -0.922 -2.869 -0.334 683 HE1 PHE 93 HE2 PHE 93 -0.383 -3.889 -5.111 684 HE2 PHE 93 HE1 PHE 93 -2.835 -2.626 -1.862 685 HZ PHE 93 HZ PHE 93 -2.567 -3.135 -4.253 686 HB2 PHE 93 HB2 PHE 93 1.979 -4.677 -1.039 687 HB3 PHE 93 HB3 PHE 93 1.208 -3.584 0.101 688 H GLU 94 H GLU 94 1.813 -1.366 0.871 689 HA GLU 94 HA GLU 94 0.446 0.632 -0.634 690 HB2 GLU 94 HB2 GLU 94 0.085 1.684 1.653 691 HB3 GLU 94 HB3 GLU 94 -0.596 0.089 1.375 692 HG2 GLU 94 HG2 GLU 94 1.188 -0.937 2.620 693 HG3 GLU 94 HG3 GLU 94 1.989 0.623 2.816 694 H LEU 95 H LEU 95 3.597 0.467 0.886 695 HA LEU 95 HA LEU 95 4.289 3.174 0.827 696 HG LEU 95 HG LEU 95 5.174 0.676 2.489 697 HB2 LEU 95 HB2 LEU 95 6.018 0.780 0.174 698 HB3 LEU 95 HB3 LEU 95 6.624 2.396 0.472 699 HD11 LEU 95 HD11 LEU 95 7.365 -0.213 2.002 700 HD12 LEU 95 HD12 LEU 95 7.378 0.562 3.589 701 HD13 LEU 95 HD13 LEU 95 8.091 1.383 2.200 702 HD21 LEU 95 HD21 LEU 95 5.833 2.379 4.107 703 HD22 LEU 95 HD22 LEU 95 4.801 3.067 2.853 704 HD23 LEU 95 HD23 LEU 95 6.541 3.348 2.815 705 H SER 96 H SER 96 4.601 0.713 -1.698 706 HA SER 96 HA SER 96 5.563 2.401 -3.722 707 HG SER 96 HG SER 96 6.753 0.114 -4.340 708 HB2 SER 96 HB2 SER 96 3.985 -0.168 -3.938 709 HB3 SER 96 HB3 SER 96 4.858 0.602 -5.265 710 H LEU 97 H LEU 97 2.262 1.504 -2.799 711 HA LEU 97 HA LEU 97 0.850 2.491 -4.967 712 HG LEU 97 HG LEU 97 0.460 0.322 -2.642 713 HB2 LEU 97 HB2 LEU 97 0.053 2.643 -2.059 714 HB3 LEU 97 HB3 LEU 97 -1.038 2.817 -3.418 715 HD11 LEU 97 HD11 LEU 97 -1.397 0.842 -1.167 716 HD12 LEU 97 HD12 LEU 97 -1.771 -0.558 -2.173 717 HD13 LEU 97 HD13 LEU 97 -2.470 1.016 -2.556 718 HD21 LEU 97 HD21 LEU 97 -1.468 0.801 -4.906 719 HD22 LEU 97 HD22 LEU 97 -0.816 -0.765 -4.422 720 HD23 LEU 97 HD23 LEU 97 0.259 0.480 -5.059 721 H ARG 98 H ARG 98 1.949 4.216 -2.083 722 HA ARG 98 HA ARG 98 0.562 6.613 -2.816 723 HE ARG 98 HE ARG 98 -1.295 5.256 1.798 724 HB2 ARG 98 HB2 ARG 98 2.531 6.054 -0.598 725 HB3 ARG 98 HB3 ARG 98 1.581 7.528 -0.759 726 HG2 ARG 98 HG2 ARG 98 -0.458 6.352 -0.425 727 HG3 ARG 98 HG3 ARG 98 0.348 4.790 -0.552 728 HD2 ARG 98 HD2 ARG 98 1.637 5.374 1.493 729 HD3 ARG 98 HD3 ARG 98 0.654 6.829 1.643 730 HH11 ARG 98 HH11 ARG 98 1.919 4.219 2.725 731 HH12 ARG 98 HH12 ARG 98 1.344 2.999 3.823 732 HH21 ARG 98 HH21 ARG 98 -2.037 3.616 3.261 733 HH22 ARG 98 HH22 ARG 98 -0.854 2.660 4.115 734 H SER 99 H SER 99 3.938 5.525 -2.917 735 HA SER 99 HA SER 99 4.956 8.083 -3.706 736 HG SER 99 HG SER 99 6.817 7.372 -2.051 737 HB2 SER 99 HB2 SER 99 6.199 5.331 -3.897 738 HB3 SER 99 HB3 SER 99 7.055 6.846 -4.175 739 H LEU 100 H LEU 100 3.462 5.483 -5.376 740 HA LEU 100 HA LEU 100 4.672 6.065 -7.935 741 HG LEU 100 HG LEU 100 3.013 4.568 -9.827 742 HB2 LEU 100 HB2 LEU 100 3.804 3.814 -7.010 743 HB3 LEU 100 HB3 LEU 100 2.232 4.387 -7.516 744 HD11 LEU 100 HD11 LEU 100 5.353 5.053 -9.441 745 HD12 LEU 100 HD12 LEU 100 5.196 3.615 -10.450 746 HD13 LEU 100 HD13 LEU 100 5.596 3.454 -8.739 747 HD21 LEU 100 HD21 LEU 100 1.986 2.493 -9.060 748 HD22 LEU 100 HD22 LEU 100 3.570 1.877 -8.588 749 HD23 LEU 100 HD23 LEU 100 3.213 2.186 -10.289 750 H ALA 101 H ALA 101 1.470 6.402 -6.458 751 HA ALA 101 HA ALA 101 0.376 7.713 -8.761 752 HB1 ALA 101 HB1 ALA 101 -0.742 7.509 -5.965 753 HB2 ALA 101 HB2 ALA 101 -1.018 6.348 -7.264 754 HB3 ALA 101 HB3 ALA 101 -1.627 7.997 -7.410 755 H LEU 102 H LEU 102 1.576 8.676 -5.594 756 HA LEU 102 HA LEU 102 1.762 10.707 -4.544 757 HG LEU 102 HG LEU 102 4.172 9.692 -6.010 758 HB2 LEU 102 HB2 LEU 102 2.809 11.264 -7.307 759 HB3 LEU 102 HB3 LEU 102 2.916 12.436 -6.010 760 HD11 LEU 102 HD11 LEU 102 5.406 12.431 -6.238 761 HD12 LEU 102 HD12 LEU 102 5.269 11.245 -7.535 762 HD13 LEU 102 HD13 LEU 102 6.282 10.905 -6.132 763 HD21 LEU 102 HD21 LEU 102 4.330 11.919 -3.980 764 HD22 LEU 102 HD22 LEU 102 5.255 10.419 -3.939 765 HD23 LEU 102 HD23 LEU 102 3.501 10.378 -3.768 766 H GLU 103 H GLU 103 -0.882 10.284 -5.536 767 HA GLU 103 HA GLU 103 -1.704 12.886 -6.566 768 HB2 GLU 103 HB2 GLU 103 -2.605 10.570 -7.377 769 HB3 GLU 103 HB3 GLU 103 -3.603 10.637 -5.929 770 HG2 GLU 103 HG2 GLU 103 -4.515 12.797 -6.703 771 HG3 GLU 103 HG3 GLU 103 -3.571 12.638 -8.181 772 H HIS 104 H HIS 104 -3.995 13.524 -5.471 773 HA HIS 104 HA HIS 104 -3.193 14.361 -2.857 774 HD1 HIS 104 HD1 HIS 104 -5.191 16.527 -6.198 775 HD2 HIS 104 HD2 HIS 104 -2.751 16.937 -2.851 776 HE1 HIS 104 HE1 HIS 104 -3.645 18.447 -6.708 777 HE2 HIS 104 HE2 HIS 104 -2.032 18.504 -4.771 778 HB2 HIS 104 HB2 HIS 104 -5.703 14.836 -4.463 779 HB3 HIS 104 HB3 HIS 104 -5.465 15.489 -2.843 780 H HIS 105 H HIS 105 -3.530 13.397 -1.015 781 HA HIS 105 HA HIS 105 -5.194 11.038 -0.876 782 HD1 HIS 105 HD1 HIS 105 -4.340 11.822 3.466 783 HD2 HIS 105 HD2 HIS 105 -4.679 8.643 0.797 784 HE1 HIS 105 HE1 HIS 105 -5.183 9.877 4.826 785 HE2 HIS 105 HE2 HIS 105 -5.352 7.953 3.204 786 HB2 HIS 105 HB2 HIS 105 -3.004 11.049 0.222 787 HB3 HIS 105 HB3 HIS 105 -3.493 12.410 1.221 788 H HIS 106 H HIS 106 -7.221 12.057 -1.254 789 HA HIS 106 HA HIS 106 -8.210 13.851 0.822 790 HD1 HIS 106 HD1 HIS 106 -11.480 14.951 0.183 791 HD2 HIS 106 HD2 HIS 106 -8.002 16.280 -1.679 792 HE1 HIS 106 HE1 HIS 106 -11.567 17.465 0.290 793 HE2 HIS 106 HE2 HIS 106 -9.401 18.249 -0.744 794 HB2 HIS 106 HB2 HIS 106 -8.718 13.586 -1.938 795 HB3 HIS 106 HB3 HIS 106 -10.207 13.119 -1.122 796 H HIS 107 H HIS 107 -8.879 12.903 2.603 797 HA HIS 107 HA HIS 107 -11.098 11.198 2.709 798 HD1 HIS 107 HD1 HIS 107 -9.180 7.744 4.806 799 HD2 HIS 107 HD2 HIS 107 -12.284 8.885 2.271 800 HE1 HIS 107 HE1 HIS 107 -11.063 6.126 5.247 801 HE2 HIS 107 HE2 HIS 107 -12.833 6.707 3.544 802 HB2 HIS 107 HB2 HIS 107 -9.327 9.577 1.808 803 HB3 HIS 107 HB3 HIS 107 -8.567 9.692 3.391 804 H HIS 108 H HIS 108 -8.229 12.503 4.119 805 HA HIS 108 HA HIS 108 -7.744 13.415 6.123 806 HD1 HIS 108 HD1 HIS 108 -10.895 13.878 9.195 807 HD2 HIS 108 HD2 HIS 108 -7.815 15.864 7.234 808 HE1 HIS 108 HE1 HIS 108 -9.954 15.491 10.872 809 HE2 HIS 108 HE2 HIS 108 -7.939 16.493 9.738 810 HB2 HIS 108 HB2 HIS 108 -10.057 14.411 5.791 811 HB3 HIS 108 HB3 HIS 108 -10.663 13.138 6.846 812 H HIS 109 H HIS 109 -8.195 10.398 5.674 813 HA HIS 109 HA HIS 109 -7.379 9.637 8.318 814 HD1 HIS 109 HD1 HIS 109 -9.477 5.932 7.877 815 HD2 HIS 109 HD2 HIS 109 -8.666 8.675 10.904 816 HE1 HIS 109 HE1 HIS 109 -9.082 4.564 9.949 817 HE2 HIS 109 HE2 HIS 109 -8.774 6.245 11.800 818 HB2 HIS 109 HB2 HIS 109 -9.894 9.538 8.421 819 HB3 HIS 109 HB3 HIS 109 -9.840 8.318 7.153 Start of MODEL 9 1 HA MET 1 HA MET 1 15.132 -23.624 -44.661 2 H1 MET 1 H1 MET 1 13.026 -22.652 -44.205 3 H2 MET 1 H2 MET 1 13.719 -21.136 -43.901 4 H3 MET 1 H3 MET 1 14.023 -22.431 -42.848 5 HB2 MET 1 HB2 MET 1 13.987 -22.513 -46.519 6 HB3 MET 1 HB3 MET 1 14.750 -20.987 -46.097 7 HG2 MET 1 HG2 MET 1 16.949 -21.978 -46.587 8 HG3 MET 1 HG3 MET 1 16.144 -23.469 -47.074 9 HE1 MET 1 HE1 MET 1 17.414 -23.373 -49.419 10 HE2 MET 1 HE2 MET 1 18.213 -21.897 -48.878 11 HE3 MET 1 HE3 MET 1 17.422 -21.944 -50.454 12 H ALA 2 H ALA 2 16.894 -23.785 -43.494 13 HA ALA 2 HA ALA 2 18.777 -23.307 -42.323 14 HB1 ALA 2 HB1 ALA 2 20.434 -22.037 -43.533 15 HB2 ALA 2 HB2 ALA 2 19.184 -21.347 -44.568 16 HB3 ALA 2 HB3 ALA 2 19.533 -23.075 -44.638 17 H MET 3 H MET 3 17.008 -22.219 -40.828 18 HA MET 3 HA MET 3 18.345 -19.780 -39.964 19 HB2 MET 3 HB2 MET 3 16.353 -19.037 -41.255 20 HB3 MET 3 HB3 MET 3 15.332 -19.940 -40.146 21 HG2 MET 3 HG2 MET 3 16.086 -18.546 -38.296 22 HG3 MET 3 HG3 MET 3 17.140 -17.656 -39.391 23 HE1 MET 3 HE1 MET 3 13.448 -18.457 -38.367 24 HE2 MET 3 HE2 MET 3 13.493 -18.974 -40.052 25 HE3 MET 3 HE3 MET 3 12.533 -17.569 -39.586 26 H LYS 4 H LYS 4 19.260 -21.004 -38.362 27 HA LYS 4 HA LYS 4 17.404 -21.805 -36.215 28 HB2 LYS 4 HB2 LYS 4 20.167 -22.904 -36.781 29 HB3 LYS 4 HB3 LYS 4 19.100 -23.410 -35.478 30 HG2 LYS 4 HG2 LYS 4 17.504 -24.275 -37.081 31 HG3 LYS 4 HG3 LYS 4 18.507 -23.706 -38.417 32 HD2 LYS 4 HD2 LYS 4 20.309 -25.197 -37.681 33 HD3 LYS 4 HD3 LYS 4 19.290 -25.767 -36.357 34 HE2 LYS 4 HE2 LYS 4 18.675 -26.036 -39.297 35 HE3 LYS 4 HE3 LYS 4 19.279 -27.320 -38.251 36 HZ1 LYS 4 HZ1 LYS 4 17.275 -27.175 -36.935 37 HZ2 LYS 4 HZ2 LYS 4 16.874 -27.444 -38.563 38 HZ3 LYS 4 HZ3 LYS 4 16.692 -25.899 -37.889 39 H ASP 5 H ASP 5 17.415 -19.685 -35.373 40 HA ASP 5 HA ASP 5 19.974 -18.899 -34.146 41 HB2 ASP 5 HB2 ASP 5 19.173 -17.425 -36.062 42 HB3 ASP 5 HB3 ASP 5 17.832 -16.958 -35.019 43 H VAL 6 H VAL 6 19.709 -19.591 -32.119 44 HA VAL 6 HA VAL 6 17.154 -19.359 -30.772 45 HB VAL 6 HB VAL 6 19.802 -20.291 -29.653 46 HG11 VAL 6 HG11 VAL 6 18.450 -21.397 -27.957 47 HG12 VAL 6 HG12 VAL 6 16.983 -20.741 -28.685 48 HG13 VAL 6 HG13 VAL 6 18.167 -19.656 -27.953 49 HG21 VAL 6 HG21 VAL 6 19.156 -21.649 -31.573 50 HG22 VAL 6 HG22 VAL 6 17.563 -21.908 -30.863 51 HG23 VAL 6 HG23 VAL 6 18.997 -22.565 -30.074 52 H VAL 7 H VAL 7 16.549 -17.616 -29.663 53 HA VAL 7 HA VAL 7 18.631 -15.966 -28.399 54 HB VAL 7 HB VAL 7 17.896 -14.783 -30.403 55 HG11 VAL 7 HG11 VAL 7 15.584 -14.003 -30.645 56 HG12 VAL 7 HG12 VAL 7 15.127 -14.946 -29.225 57 HG13 VAL 7 HG13 VAL 7 15.697 -15.763 -30.682 58 HG21 VAL 7 HG21 VAL 7 17.196 -12.675 -29.369 59 HG22 VAL 7 HG22 VAL 7 18.488 -13.458 -28.457 60 HG23 VAL 7 HG23 VAL 7 16.825 -13.538 -27.875 61 H ASP 8 H ASP 8 18.223 -15.315 -26.356 62 HA ASP 8 HA ASP 8 15.596 -15.312 -25.207 63 HB2 ASP 8 HB2 ASP 8 16.073 -17.735 -25.165 64 HB3 ASP 8 HB3 ASP 8 17.561 -17.420 -24.276 65 H LYS 9 H LYS 9 15.506 -14.006 -23.497 66 HA LYS 9 HA LYS 9 18.083 -12.973 -22.538 67 HB2 LYS 9 HB2 LYS 9 16.855 -10.760 -22.327 68 HB3 LYS 9 HB3 LYS 9 17.276 -11.283 -23.941 69 HG2 LYS 9 HG2 LYS 9 15.101 -10.388 -24.067 70 HG3 LYS 9 HG3 LYS 9 14.917 -12.137 -24.158 71 HD2 LYS 9 HD2 LYS 9 14.249 -12.224 -21.836 72 HD3 LYS 9 HD3 LYS 9 14.550 -10.495 -21.653 73 HE2 LYS 9 HE2 LYS 9 12.556 -11.632 -23.602 74 HE3 LYS 9 HE3 LYS 9 12.136 -11.161 -21.956 75 HZ1 LYS 9 HZ1 LYS 9 11.685 -9.423 -23.624 76 HZ2 LYS 9 HZ2 LYS 9 13.344 -9.331 -23.970 77 HZ3 LYS 9 HZ3 LYS 9 12.771 -8.915 -22.427 78 H CYS 10 H CYS 10 18.015 -11.904 -20.448 79 HA CYS 10 HA CYS 10 15.872 -12.926 -18.707 80 HG CYS 10 HG CYS 10 19.591 -11.899 -19.307 81 HB2 CYS 10 HB2 CYS 10 17.650 -13.057 -16.903 82 HB3 CYS 10 HB3 CYS 10 17.780 -14.255 -18.187 83 H SER 11 H SER 11 14.709 -11.064 -18.615 84 HA SER 11 HA SER 11 15.765 -8.951 -16.978 85 HG SER 11 HG SER 11 14.870 -6.297 -19.092 86 HB2 SER 11 HB2 SER 11 16.575 -8.313 -19.254 87 HB3 SER 11 HB3 SER 11 14.900 -8.269 -19.800 88 H THR 12 H THR 12 14.093 -9.513 -15.611 89 HA THR 12 HA THR 12 11.612 -8.163 -16.231 90 HB THR 12 HB THR 12 11.227 -10.487 -17.065 91 HG1 THR 12 HG1 THR 12 9.721 -9.382 -14.944 92 HG21 THR 12 HG21 THR 12 11.519 -11.247 -14.158 93 HG22 THR 12 HG22 THR 12 12.621 -11.695 -15.459 94 HG23 THR 12 HG23 THR 12 10.967 -12.309 -15.453 95 H LYS 13 H LYS 13 13.932 -9.431 -14.102 96 HA LYS 13 HA LYS 13 12.453 -8.427 -11.759 97 HB2 LYS 13 HB2 LYS 13 14.708 -10.442 -11.890 98 HB3 LYS 13 HB3 LYS 13 13.883 -9.920 -10.428 99 HG2 LYS 13 HG2 LYS 13 11.925 -11.055 -10.976 100 HG3 LYS 13 HG3 LYS 13 12.368 -11.186 -12.680 101 HD2 LYS 13 HD2 LYS 13 12.598 -13.337 -11.572 102 HD3 LYS 13 HD3 LYS 13 14.174 -12.734 -12.082 103 HE2 LYS 13 HE2 LYS 13 14.556 -11.914 -9.778 104 HE3 LYS 13 HE3 LYS 13 13.025 -12.643 -9.298 105 HZ1 LYS 13 HZ1 LYS 13 13.895 -14.804 -9.951 106 HZ2 LYS 13 HZ2 LYS 13 14.881 -14.086 -8.774 107 HZ3 LYS 13 HZ3 LYS 13 15.371 -14.095 -10.399 108 H GLY 14 H GLY 14 13.413 -6.847 -10.518 109 HA2 GLY 14 HA2 GLY 14 16.063 -6.315 -10.156 110 HA3 GLY 14 HA3 GLY 14 15.693 -5.508 -11.668 111 H CYS 15 H CYS 15 15.136 -5.590 -8.239 112 HA CYS 15 HA CYS 15 14.487 -4.026 -6.736 113 HG CYS 15 HG CYS 15 16.380 -0.474 -6.624 114 HB2 CYS 15 HB2 CYS 15 16.454 -2.892 -7.770 115 HB3 CYS 15 HB3 CYS 15 15.351 -2.047 -8.851 116 H ALA 16 H ALA 16 12.279 -4.513 -6.754 117 HA ALA 16 HA ALA 16 10.638 -2.509 -8.163 118 HB1 ALA 16 HB1 ALA 16 10.401 -4.693 -9.242 119 HB2 ALA 16 HB2 ALA 16 8.896 -4.181 -8.477 120 HB3 ALA 16 HB3 ALA 16 9.910 -5.400 -7.703 121 H ILE 17 H ILE 17 10.395 -4.953 -5.565 122 HA ILE 17 HA ILE 17 8.560 -3.124 -4.191 123 HB ILE 17 HB ILE 17 7.935 -5.166 -2.838 124 HG12 ILE 17 HG12 ILE 17 9.383 -6.597 -5.083 125 HG13 ILE 17 HG13 ILE 17 9.942 -6.514 -3.415 126 HG21 ILE 17 HG21 ILE 17 6.525 -4.258 -4.592 127 HG22 ILE 17 HG22 ILE 17 6.452 -6.018 -4.591 128 HG23 ILE 17 HG23 ILE 17 7.413 -5.179 -5.808 129 HD11 ILE 17 HD11 ILE 17 8.877 -8.643 -3.883 130 HD12 ILE 17 HD12 ILE 17 7.396 -7.812 -4.361 131 HD13 ILE 17 HD13 ILE 17 7.954 -7.730 -2.691 132 H ASP 18 H ASP 18 10.443 -1.897 -3.507 133 HA ASP 18 HA ASP 18 10.812 -2.232 -0.761 134 HB2 ASP 18 HB2 ASP 18 12.438 -3.990 -1.411 135 HB3 ASP 18 HB3 ASP 18 13.337 -2.791 -2.341 136 H ILE 19 H ILE 19 10.463 -0.154 -0.386 137 HA ILE 19 HA ILE 19 11.622 1.877 -2.118 138 HB ILE 19 HB ILE 19 9.694 2.139 0.196 139 HG12 ILE 19 HG12 ILE 19 9.238 2.252 -2.795 140 HG13 ILE 19 HG13 ILE 19 8.745 0.944 -1.727 141 HG21 ILE 19 HG21 ILE 19 10.625 4.191 -1.805 142 HG22 ILE 19 HG22 ILE 19 10.979 4.173 -0.078 143 HG23 ILE 19 HG23 ILE 19 9.325 4.427 -0.636 144 HD11 ILE 19 HD11 ILE 19 6.876 2.375 -2.298 145 HD12 ILE 19 HD12 ILE 19 7.729 3.773 -1.643 146 HD13 ILE 19 HD13 ILE 19 7.230 2.463 -0.573 147 H GLY 20 H GLY 20 11.340 1.406 1.406 148 HA2 GLY 20 HA2 GLY 20 13.474 1.452 2.685 149 HA3 GLY 20 HA3 GLY 20 13.923 2.821 1.674 150 H THR 21 H THR 21 10.706 2.302 2.927 151 HA THR 21 HA THR 21 11.109 4.541 4.795 152 HB THR 21 HB THR 21 8.581 4.007 3.212 153 HG1 THR 21 HG1 THR 21 10.790 5.723 2.754 154 HG21 THR 21 HG21 THR 21 7.938 6.250 3.997 155 HG22 THR 21 HG22 THR 21 9.422 6.333 4.946 156 HG23 THR 21 HG23 THR 21 8.189 5.135 5.340 157 H VAL 22 H VAL 22 10.732 3.980 6.825 158 HA VAL 22 HA VAL 22 9.343 1.494 7.405 159 HB VAL 22 HB VAL 22 10.034 1.869 9.738 160 HG11 VAL 22 HG11 VAL 22 12.445 1.634 9.401 161 HG12 VAL 22 HG12 VAL 22 12.270 2.225 7.749 162 HG13 VAL 22 HG13 VAL 22 11.535 0.693 8.218 163 HG21 VAL 22 HG21 VAL 22 9.932 4.308 9.794 164 HG22 VAL 22 HG22 VAL 22 11.304 4.398 8.690 165 HG23 VAL 22 HG23 VAL 22 11.519 3.735 10.310 166 H ILE 23 H ILE 23 7.539 1.331 8.778 167 HA ILE 23 HA ILE 23 6.176 3.669 9.706 168 HB ILE 23 HB ILE 23 5.450 3.848 7.428 169 HG12 ILE 23 HG12 ILE 23 3.244 2.591 9.071 170 HG13 ILE 23 HG13 ILE 23 3.767 4.268 9.183 171 HG21 ILE 23 HG21 ILE 23 4.275 2.056 6.247 172 HG22 ILE 23 HG22 ILE 23 4.569 0.973 7.607 173 HG23 ILE 23 HG23 ILE 23 5.925 1.593 6.664 174 HD11 ILE 23 HD11 ILE 23 2.553 2.961 6.759 175 HD12 ILE 23 HD12 ILE 23 3.066 4.644 6.880 176 HD13 ILE 23 HD13 ILE 23 1.733 4.054 7.873 177 H ASP 24 H ASP 24 5.787 0.253 8.858 178 HA ASP 24 HA ASP 24 5.233 -1.568 10.064 179 HB2 ASP 24 HB2 ASP 24 5.659 0.296 12.396 180 HB3 ASP 24 HB3 ASP 24 5.266 -1.410 12.583 181 H ASN 25 H ASN 25 3.271 -2.210 9.622 182 HA ASN 25 HA ASN 25 0.959 -0.593 10.199 183 HB2 ASN 25 HB2 ASN 25 1.346 -3.275 8.885 184 HB3 ASN 25 HB3 ASN 25 -0.256 -2.645 9.241 185 HD21 ASN 25 HD21 ASN 25 -1.063 -0.951 8.050 186 HD22 ASN 25 HD22 ASN 25 -0.306 -0.400 6.583 187 H ASP 26 H ASP 26 -0.907 -1.398 11.321 188 HA ASP 26 HA ASP 26 -0.220 -2.780 13.777 189 HB2 ASP 26 HB2 ASP 26 -2.523 -2.181 14.461 190 HB3 ASP 26 HB3 ASP 26 -1.621 -0.777 13.898 191 H ASN 27 H ASN 27 -1.541 -3.514 10.728 192 HA ASN 27 HA ASN 27 -1.959 -6.258 11.494 193 HB2 ASN 27 HB2 ASN 27 -4.261 -6.441 10.868 194 HB3 ASN 27 HB3 ASN 27 -4.151 -5.111 12.014 195 HD21 ASN 27 HD21 ASN 27 -4.450 -2.978 11.267 196 HD22 ASN 27 HD22 ASN 27 -5.181 -2.663 9.722 197 H CYS 28 H CYS 28 -2.637 -7.559 9.459 198 HA CYS 28 HA CYS 28 -0.933 -6.554 7.295 199 HG CYS 28 HG CYS 28 0.530 -10.218 8.647 200 HB2 CYS 28 HB2 CYS 28 -1.955 -9.345 7.846 201 HB3 CYS 28 HB3 CYS 28 -0.830 -8.903 6.566 202 H THR 29 H THR 29 -3.977 -6.110 7.862 203 HA THR 29 HA THR 29 -5.000 -6.937 5.238 204 HB THR 29 HB THR 29 -6.509 -5.743 7.581 205 HG1 THR 29 HG1 THR 29 -5.966 -7.768 8.212 206 HG21 THR 29 HG21 THR 29 -8.515 -6.463 6.383 207 HG22 THR 29 HG22 THR 29 -7.521 -7.061 5.055 208 HG23 THR 29 HG23 THR 29 -7.580 -5.334 5.404 209 H SER 30 H SER 30 -5.086 -5.497 3.636 210 HA SER 30 HA SER 30 -4.488 -2.707 4.284 211 HG SER 30 HG SER 30 -2.712 -1.999 2.015 212 HB2 SER 30 HB2 SER 30 -3.038 -3.958 2.651 213 HB3 SER 30 HB3 SER 30 -4.427 -4.043 1.570 214 H LYS 31 H LYS 31 -6.337 -1.660 4.693 215 HA LYS 31 HA LYS 31 -8.555 -1.916 2.780 216 HB2 LYS 31 HB2 LYS 31 -8.336 -0.830 5.572 217 HB3 LYS 31 HB3 LYS 31 -9.615 -0.251 4.519 218 HG2 LYS 31 HG2 LYS 31 -9.145 -3.094 5.383 219 HG3 LYS 31 HG3 LYS 31 -10.434 -2.022 5.929 220 HD2 LYS 31 HD2 LYS 31 -10.043 -3.205 3.189 221 HD3 LYS 31 HD3 LYS 31 -11.381 -3.474 4.303 222 HE2 LYS 31 HE2 LYS 31 -10.729 -0.853 2.958 223 HE3 LYS 31 HE3 LYS 31 -11.968 -1.984 2.426 224 HZ1 LYS 31 HZ1 LYS 31 -13.041 -1.673 4.627 225 HZ2 LYS 31 HZ2 LYS 31 -12.997 -0.272 3.674 226 HZ3 LYS 31 HZ3 LYS 31 -11.915 -0.446 4.967 227 H PHE 32 H PHE 32 -8.651 -0.508 1.191 228 HA PHE 32 HA PHE 32 -7.730 2.242 1.710 229 HD1 PHE 32 HD2 PHE 32 -5.505 3.372 0.686 230 HD2 PHE 32 HD1 PHE 32 -8.205 2.486 -2.481 231 HE1 PHE 32 HE2 PHE 32 -5.030 5.563 -0.326 232 HE2 PHE 32 HE1 PHE 32 -7.734 4.674 -3.497 233 HZ PHE 32 HZ PHE 32 -6.147 6.216 -2.422 234 HB2 PHE 32 HB2 PHE 32 -6.237 1.016 0.112 235 HB3 PHE 32 HB3 PHE 32 -7.621 0.813 -0.959 236 H SER 33 H SER 33 -9.382 3.589 1.726 237 HA SER 33 HA SER 33 -11.708 3.001 0.022 238 HG SER 33 HG SER 33 -12.887 1.690 2.297 239 HB2 SER 33 HB2 SER 33 -11.822 4.211 2.796 240 HB3 SER 33 HB3 SER 33 -13.188 3.737 1.787 241 H ARG 34 H ARG 34 -11.671 4.489 -1.529 242 HA ARG 34 HA ARG 34 -11.123 7.290 -0.790 243 HE ARG 34 HE ARG 34 -7.831 9.912 -3.073 244 HB2 ARG 34 HB2 ARG 34 -9.275 5.769 -2.039 245 HB3 ARG 34 HB3 ARG 34 -10.162 6.346 -3.433 246 HG2 ARG 34 HG2 ARG 34 -9.127 8.242 -1.362 247 HG3 ARG 34 HG3 ARG 34 -8.091 7.639 -2.653 248 HD2 ARG 34 HD2 ARG 34 -9.867 8.457 -4.268 249 HD3 ARG 34 HD3 ARG 34 -10.591 9.295 -2.894 250 HH11 ARG 34 HH11 ARG 34 -10.901 10.619 -4.617 251 HH12 ARG 34 HH12 ARG 34 -10.377 12.162 -5.234 252 HH21 ARG 34 HH21 ARG 34 -7.144 11.926 -3.889 253 HH22 ARG 34 HH22 ARG 34 -8.239 12.897 -4.829 254 H PHE 35 H PHE 35 -12.272 8.801 -1.945 255 HA PHE 35 HA PHE 35 -14.510 7.736 -3.506 256 HD1 PHE 35 HD1 PHE 35 -16.753 8.013 -2.148 257 HD2 PHE 35 HD2 PHE 35 -13.858 10.410 -0.151 258 HE1 PHE 35 HE1 PHE 35 -17.681 7.320 0.023 259 HE2 PHE 35 HE2 PHE 35 -14.782 9.719 2.023 260 HZ PHE 35 HZ PHE 35 -16.696 8.171 2.111 261 HB2 PHE 35 HB2 PHE 35 -14.042 10.535 -2.459 262 HB3 PHE 35 HB3 PHE 35 -15.502 9.971 -3.260 263 H PHE 36 H PHE 36 -14.692 8.008 -5.647 264 HA PHE 36 HA PHE 36 -12.682 9.726 -6.956 265 HD1 PHE 36 HD2 PHE 36 -10.465 8.795 -8.200 266 HD2 PHE 36 HD1 PHE 36 -12.548 5.642 -6.253 267 HE1 PHE 36 HE2 PHE 36 -8.337 7.951 -7.303 268 HE2 PHE 36 HE1 PHE 36 -10.422 4.790 -5.349 269 HZ PHE 36 HZ PHE 36 -8.315 5.945 -5.875 270 HB2 PHE 36 HB2 PHE 36 -13.672 6.999 -7.784 271 HB3 PHE 36 HB3 PHE 36 -12.786 8.067 -8.868 272 H ALA 37 H ALA 37 -13.278 10.571 -9.046 273 HA ALA 37 HA ALA 37 -15.632 11.991 -9.015 274 HB1 ALA 37 HB1 ALA 37 -15.189 12.559 -11.332 275 HB2 ALA 37 HB2 ALA 37 -14.074 11.198 -11.471 276 HB3 ALA 37 HB3 ALA 37 -13.689 12.549 -10.404 277 H THR 38 H THR 38 -15.008 9.012 -10.865 278 HA THR 38 HA THR 38 -17.906 8.549 -10.904 279 HB THR 38 HB THR 38 -17.611 7.561 -13.220 280 HG1 THR 38 HG1 THR 38 -15.626 9.062 -14.082 281 HG21 THR 38 HG21 THR 38 -17.784 9.723 -14.370 282 HG22 THR 38 HG22 THR 38 -17.180 10.537 -12.927 283 HG23 THR 38 HG23 THR 38 -18.736 9.706 -12.886 284 H ARG 39 H ARG 39 -18.396 6.217 -11.511 285 HA ARG 39 HA ARG 39 -16.877 4.461 -9.887 286 HE ARG 39 HE ARG 39 -21.083 4.851 -11.941 287 HB2 ARG 39 HB2 ARG 39 -18.383 2.760 -10.558 288 HB3 ARG 39 HB3 ARG 39 -19.324 4.239 -10.494 289 HG2 ARG 39 HG2 ARG 39 -18.981 4.427 -12.983 290 HG3 ARG 39 HG3 ARG 39 -18.334 2.784 -12.924 291 HD2 ARG 39 HD2 ARG 39 -20.652 2.655 -13.491 292 HD3 ARG 39 HD3 ARG 39 -20.454 2.059 -11.843 293 HH11 ARG 39 HH11 ARG 39 -22.449 1.617 -11.919 294 HH12 ARG 39 HH12 ARG 39 -24.048 2.162 -11.496 295 HH21 ARG 39 HH21 ARG 39 -23.148 5.558 -11.323 296 HH22 ARG 39 HH22 ARG 39 -24.441 4.407 -11.145 297 H GLU 40 H GLU 40 -16.607 5.508 -13.125 298 HA GLU 40 HA GLU 40 -15.052 3.488 -14.281 299 HB2 GLU 40 HB2 GLU 40 -14.906 6.463 -14.709 300 HB3 GLU 40 HB3 GLU 40 -14.263 5.233 -15.782 301 HG2 GLU 40 HG2 GLU 40 -17.170 5.424 -15.068 302 HG3 GLU 40 HG3 GLU 40 -16.449 6.258 -16.433 303 H GLU 41 H GLU 41 -14.176 6.431 -12.544 304 HA GLU 41 HA GLU 41 -11.401 6.202 -12.596 305 HB2 GLU 41 HB2 GLU 41 -13.254 7.483 -10.589 306 HB3 GLU 41 HB3 GLU 41 -11.509 7.677 -10.551 307 HG2 GLU 41 HG2 GLU 41 -13.262 8.449 -12.870 308 HG3 GLU 41 HG3 GLU 41 -12.701 9.558 -11.620 309 H ALA 42 H ALA 42 -13.778 4.646 -10.607 310 HA ALA 42 HA ALA 42 -12.025 3.783 -8.530 311 HB1 ALA 42 HB1 ALA 42 -13.845 2.246 -7.919 312 HB2 ALA 42 HB2 ALA 42 -14.686 2.664 -9.411 313 HB3 ALA 42 HB3 ALA 42 -14.427 3.891 -8.172 314 H GLU 43 H GLU 43 -13.389 2.173 -11.389 315 HA GLU 43 HA GLU 43 -11.917 -0.210 -11.179 316 HB2 GLU 43 HB2 GLU 43 -13.349 1.194 -13.394 317 HB3 GLU 43 HB3 GLU 43 -12.301 -0.163 -13.784 318 HG2 GLU 43 HG2 GLU 43 -14.577 -0.273 -11.820 319 HG3 GLU 43 HG3 GLU 43 -14.665 -0.790 -13.504 320 H SER 44 H SER 44 -11.197 2.885 -12.717 321 HA SER 44 HA SER 44 -8.876 2.112 -14.074 322 HG SER 44 HG SER 44 -10.460 3.387 -15.061 323 HB2 SER 44 HB2 SER 44 -9.623 4.797 -12.902 324 HB3 SER 44 HB3 SER 44 -8.295 4.529 -14.033 325 H PHE 45 H PHE 45 -9.358 3.165 -10.726 326 HA PHE 45 HA PHE 45 -6.569 3.285 -10.136 327 HD1 PHE 45 HD2 PHE 45 -6.079 5.368 -8.434 328 HD2 PHE 45 HD1 PHE 45 -7.696 2.046 -6.320 329 HE1 PHE 45 HE2 PHE 45 -4.395 5.678 -6.668 330 HE2 PHE 45 HE1 PHE 45 -6.015 2.350 -4.551 331 HZ PHE 45 HZ PHE 45 -4.364 4.168 -4.721 332 HB2 PHE 45 HB2 PHE 45 -8.399 4.479 -8.857 333 HB3 PHE 45 HB3 PHE 45 -8.842 2.918 -8.173 334 H MET 46 H MET 46 -9.106 0.874 -9.827 335 HA MET 46 HA MET 46 -7.570 -1.036 -8.405 336 HB2 MET 46 HB2 MET 46 -10.034 -1.055 -8.485 337 HB3 MET 46 HB3 MET 46 -9.972 -1.454 -10.196 338 HG2 MET 46 HG2 MET 46 -10.448 -3.397 -8.784 339 HG3 MET 46 HG3 MET 46 -8.962 -3.583 -9.710 340 HE1 MET 46 HE1 MET 46 -9.407 -1.351 -6.511 341 HE2 MET 46 HE2 MET 46 -8.991 -2.481 -5.223 342 HE3 MET 46 HE3 MET 46 -10.465 -2.717 -6.160 343 H THR 47 H THR 47 -7.873 -0.268 -11.800 344 HA THR 47 HA THR 47 -6.895 -2.637 -12.922 345 HB THR 47 HB THR 47 -6.503 0.178 -13.956 346 HG1 THR 47 HG1 THR 47 -8.732 -0.461 -13.573 347 HG21 THR 47 HG21 THR 47 -5.063 -1.475 -15.068 348 HG22 THR 47 HG22 THR 47 -6.315 -0.875 -16.155 349 HG23 THR 47 HG23 THR 47 -6.478 -2.468 -15.414 350 H LYS 48 H LYS 48 -5.108 0.293 -11.923 351 HA LYS 48 HA LYS 48 -2.577 -0.850 -12.563 352 HB2 LYS 48 HB2 LYS 48 -1.649 1.118 -11.342 353 HB3 LYS 48 HB3 LYS 48 -2.740 1.509 -12.662 354 HG2 LYS 48 HG2 LYS 48 -4.553 1.749 -10.936 355 HG3 LYS 48 HG3 LYS 48 -3.282 1.645 -9.716 356 HD2 LYS 48 HD2 LYS 48 -3.415 3.671 -11.947 357 HD3 LYS 48 HD3 LYS 48 -3.844 3.960 -10.267 358 HE2 LYS 48 HE2 LYS 48 -1.576 3.552 -9.564 359 HE3 LYS 48 HE3 LYS 48 -1.119 3.087 -11.203 360 HZ1 LYS 48 HZ1 LYS 48 -0.431 5.346 -10.713 361 HZ2 LYS 48 HZ2 LYS 48 -2.031 5.786 -10.350 362 HZ3 LYS 48 HZ3 LYS 48 -1.608 5.344 -11.933 363 H LEU 49 H LEU 49 -4.615 -0.803 -9.778 364 HA LEU 49 HA LEU 49 -2.783 -1.645 -7.817 365 HG LEU 49 HG LEU 49 -5.827 -0.459 -6.152 366 HB2 LEU 49 HB2 LEU 49 -5.720 -1.632 -8.154 367 HB3 LEU 49 HB3 LEU 49 -5.090 -2.790 -7.002 368 HD11 LEU 49 HD11 LEU 49 -4.082 -0.491 -4.439 369 HD12 LEU 49 HD12 LEU 49 -3.127 -1.590 -5.433 370 HD13 LEU 49 HD13 LEU 49 -4.680 -2.113 -4.783 371 HD21 LEU 49 HD21 LEU 49 -4.087 1.245 -6.187 372 HD22 LEU 49 HD22 LEU 49 -4.598 0.851 -7.828 373 HD23 LEU 49 HD23 LEU 49 -3.078 0.214 -7.200 374 H LYS 50 H LYS 50 -4.629 -3.415 -10.245 375 HA LYS 50 HA LYS 50 -4.232 -6.034 -9.424 376 HB2 LYS 50 HB2 LYS 50 -4.742 -4.679 -11.982 377 HB3 LYS 50 HB3 LYS 50 -3.933 -6.225 -12.146 378 HG2 LYS 50 HG2 LYS 50 -6.330 -6.478 -12.350 379 HG3 LYS 50 HG3 LYS 50 -5.741 -7.308 -10.911 380 HD2 LYS 50 HD2 LYS 50 -6.538 -5.547 -9.495 381 HD3 LYS 50 HD3 LYS 50 -6.944 -4.546 -10.890 382 HE2 LYS 50 HE2 LYS 50 -8.196 -7.224 -10.307 383 HE3 LYS 50 HE3 LYS 50 -8.894 -5.683 -9.815 384 HZ1 LYS 50 HZ1 LYS 50 -9.043 -5.036 -12.134 385 HZ2 LYS 50 HZ2 LYS 50 -9.857 -6.501 -11.883 386 HZ3 LYS 50 HZ3 LYS 50 -8.331 -6.498 -12.624 387 H GLU 51 H GLU 51 -2.121 -4.031 -11.442 388 HA GLU 51 HA GLU 51 -0.072 -5.898 -11.850 389 HB2 GLU 51 HB2 GLU 51 0.263 -2.903 -11.632 390 HB3 GLU 51 HB3 GLU 51 1.293 -4.023 -12.510 391 HG2 GLU 51 HG2 GLU 51 -0.446 -4.447 -14.111 392 HG3 GLU 51 HG3 GLU 51 -1.582 -3.461 -13.189 393 H LEU 52 H LEU 52 -0.480 -3.387 -9.405 394 HA LEU 52 HA LEU 52 2.004 -3.699 -8.133 395 HG LEU 52 HG LEU 52 0.217 -1.310 -8.945 396 HB2 LEU 52 HB2 LEU 52 -0.607 -2.656 -7.045 397 HB3 LEU 52 HB3 LEU 52 0.947 -2.475 -6.259 398 HD11 LEU 52 HD11 LEU 52 0.236 0.835 -7.783 399 HD12 LEU 52 HD12 LEU 52 0.525 0.008 -6.253 400 HD13 LEU 52 HD13 LEU 52 -0.991 -0.243 -7.117 401 HD21 LEU 52 HD21 LEU 52 2.321 -0.079 -8.726 402 HD22 LEU 52 HD22 LEU 52 2.592 -1.820 -8.772 403 HD23 LEU 52 HD23 LEU 52 2.679 -0.956 -7.237 404 H ALA 53 H ALA 53 -1.206 -4.983 -7.290 405 HA ALA 53 HA ALA 53 -0.465 -6.276 -4.924 406 HB1 ALA 53 HB1 ALA 53 -2.791 -5.867 -5.584 407 HB2 ALA 53 HB2 ALA 53 -2.519 -7.560 -5.173 408 HB3 ALA 53 HB3 ALA 53 -2.635 -7.071 -6.863 409 H ALA 54 H ALA 54 -0.317 -7.350 -8.272 410 HA ALA 54 HA ALA 54 0.241 -10.074 -7.711 411 HB1 ALA 54 HB1 ALA 54 0.903 -10.210 -10.074 412 HB2 ALA 54 HB2 ALA 54 0.812 -8.451 -10.188 413 HB3 ALA 54 HB3 ALA 54 -0.644 -9.392 -9.859 414 H ALA 55 H ALA 55 2.258 -7.231 -8.115 415 HA ALA 55 HA ALA 55 4.692 -8.794 -8.200 416 HB1 ALA 55 HB1 ALA 55 4.315 -5.806 -8.094 417 HB2 ALA 55 HB2 ALA 55 4.478 -6.776 -9.559 418 HB3 ALA 55 HB3 ALA 55 5.825 -6.656 -8.425 419 H ALA 56 H ALA 56 2.837 -7.021 -5.858 420 HA ALA 56 HA ALA 56 4.988 -6.677 -3.991 421 HB1 ALA 56 HB1 ALA 56 2.022 -6.373 -3.553 422 HB2 ALA 56 HB2 ALA 56 3.103 -5.106 -4.134 423 HB3 ALA 56 HB3 ALA 56 3.307 -5.764 -2.509 424 H SER 57 H SER 57 2.103 -8.761 -4.071 425 HA SER 57 HA SER 57 2.768 -9.947 -1.552 426 HG SER 57 HG SER 57 0.899 -11.376 -0.825 427 HB2 SER 57 HB2 SER 57 0.428 -9.611 -2.197 428 HB3 SER 57 HB3 SER 57 0.643 -10.687 -3.577 429 H SER 58 H SER 58 3.603 -11.903 -1.139 430 HA SER 58 HA SER 58 5.093 -13.252 -3.170 431 HG SER 58 HG SER 58 4.038 -13.058 0.230 432 HB2 SER 58 HB2 SER 58 5.532 -14.924 -1.324 433 HB3 SER 58 HB3 SER 58 5.988 -13.264 -0.947 434 H ALA 59 H ALA 59 1.862 -13.377 -2.175 435 HA ALA 59 HA ALA 59 1.312 -16.080 -2.950 436 HB1 ALA 59 HB1 ALA 59 -0.582 -13.736 -2.740 437 HB2 ALA 59 HB2 ALA 59 -0.164 -14.830 -1.422 438 HB3 ALA 59 HB3 ALA 59 -1.032 -15.441 -2.830 439 H ASP 60 H ASP 60 2.006 -13.211 -4.573 440 HA ASP 60 HA ASP 60 2.410 -12.770 -6.748 441 HB2 ASP 60 HB2 ASP 60 3.154 -15.081 -6.974 442 HB3 ASP 60 HB3 ASP 60 1.498 -15.601 -7.261 443 H GLU 61 H GLU 61 -0.675 -14.337 -6.094 444 HA GLU 61 HA GLU 61 -1.937 -13.033 -8.349 445 HB2 GLU 61 HB2 GLU 61 -3.014 -14.802 -6.159 446 HB3 GLU 61 HB3 GLU 61 -4.007 -14.129 -7.445 447 HG2 GLU 61 HG2 GLU 61 -2.773 -15.325 -9.108 448 HG3 GLU 61 HG3 GLU 61 -1.611 -15.885 -7.905 449 H GLY 62 H GLY 62 -0.940 -11.838 -5.536 450 HA2 GLY 62 HA2 GLY 62 -1.410 -9.639 -4.828 451 HA3 GLY 62 HA3 GLY 62 -2.985 -9.754 -5.595 452 H ALA 63 H ALA 63 -2.340 -12.496 -3.801 453 HA ALA 63 HA ALA 63 -3.083 -13.351 -1.837 454 HB1 ALA 63 HB1 ALA 63 -1.662 -11.613 -0.847 455 HB2 ALA 63 HB2 ALA 63 -3.090 -11.948 0.133 456 HB3 ALA 63 HB3 ALA 63 -3.028 -10.499 -0.871 457 H SER 64 H SER 64 -4.930 -12.353 0.037 458 HA SER 64 HA SER 64 -7.378 -12.812 -1.300 459 HG SER 64 HG SER 64 -6.912 -13.697 2.187 460 HB2 SER 64 HB2 SER 64 -6.933 -11.612 1.446 461 HB3 SER 64 HB3 SER 64 -8.414 -12.373 0.862 462 H VAL 65 H VAL 65 -8.214 -11.412 -2.704 463 HA VAL 65 HA VAL 65 -8.065 -8.549 -2.058 464 HB VAL 65 HB VAL 65 -6.705 -8.958 -3.992 465 HG11 VAL 65 HG11 VAL 65 -7.620 -9.941 -6.065 466 HG12 VAL 65 HG12 VAL 65 -9.100 -10.342 -5.193 467 HG13 VAL 65 HG13 VAL 65 -7.572 -11.086 -4.724 468 HG21 VAL 65 HG21 VAL 65 -7.827 -7.562 -5.678 469 HG22 VAL 65 HG22 VAL 65 -7.999 -6.914 -4.047 470 HG23 VAL 65 HG23 VAL 65 -9.349 -7.758 -4.806 471 H ALA 66 H ALA 66 -9.910 -7.608 -1.666 472 HA ALA 66 HA ALA 66 -12.287 -8.372 -3.198 473 HB1 ALA 66 HB1 ALA 66 -12.268 -7.976 -0.202 474 HB2 ALA 66 HB2 ALA 66 -12.480 -9.514 -1.035 475 HB3 ALA 66 HB3 ALA 66 -13.696 -8.248 -1.201 476 H TYR 67 H TYR 67 -13.625 -6.602 -3.681 477 HA TYR 67 HA TYR 67 -13.121 -4.072 -2.377 478 HD1 TYR 67 HD1 TYR 67 -11.942 -6.143 -5.894 479 HD2 TYR 67 HD2 TYR 67 -13.647 -2.243 -6.088 480 HE1 TYR 67 HE1 TYR 67 -12.575 -6.536 -8.239 481 HE2 TYR 67 HE2 TYR 67 -14.282 -2.631 -8.429 482 HH TYR 67 HH TYR 67 -13.667 -4.013 -10.303 483 HB2 TYR 67 HB2 TYR 67 -12.339 -2.840 -4.228 484 HB3 TYR 67 HB3 TYR 67 -11.368 -4.306 -4.224 485 H LYS 68 H LYS 68 -14.687 -2.498 -2.805 486 HA LYS 68 HA LYS 68 -16.938 -3.332 -4.502 487 HB2 LYS 68 HB2 LYS 68 -17.105 -2.150 -1.729 488 HB3 LYS 68 HB3 LYS 68 -18.468 -2.230 -2.835 489 HG2 LYS 68 HG2 LYS 68 -18.316 -4.661 -2.854 490 HG3 LYS 68 HG3 LYS 68 -16.939 -4.575 -1.759 491 HD2 LYS 68 HD2 LYS 68 -19.743 -3.626 -1.177 492 HD3 LYS 68 HD3 LYS 68 -18.973 -5.071 -0.521 493 HE2 LYS 68 HE2 LYS 68 -17.371 -3.745 0.676 494 HE3 LYS 68 HE3 LYS 68 -17.947 -2.270 -0.100 495 HZ1 LYS 68 HZ1 LYS 68 -18.816 -2.473 2.134 496 HZ2 LYS 68 HZ2 LYS 68 -19.511 -3.977 1.762 497 HZ3 LYS 68 HZ3 LYS 68 -20.077 -2.568 1.004 498 H ILE 69 H ILE 69 -18.271 -1.596 -5.195 499 HA ILE 69 HA ILE 69 -17.044 1.072 -5.083 500 HB ILE 69 HB ILE 69 -18.241 -0.163 -7.578 501 HG12 ILE 69 HG12 ILE 69 -15.358 0.542 -6.968 502 HG13 ILE 69 HG13 ILE 69 -16.011 -1.093 -7.020 503 HG21 ILE 69 HG21 ILE 69 -16.897 2.506 -7.157 504 HG22 ILE 69 HG22 ILE 69 -18.628 2.247 -7.372 505 HG23 ILE 69 HG23 ILE 69 -17.512 1.881 -8.689 506 HD11 ILE 69 HD11 ILE 69 -16.514 -0.821 -9.384 507 HD12 ILE 69 HD12 ILE 69 -14.806 -0.533 -9.059 508 HD13 ILE 69 HD13 ILE 69 -15.892 0.828 -9.333 509 H LYS 70 H LYS 70 -18.514 2.121 -3.853 510 HA LYS 70 HA LYS 70 -21.355 1.621 -4.365 511 HB2 LYS 70 HB2 LYS 70 -20.675 1.448 -2.030 512 HB3 LYS 70 HB3 LYS 70 -20.009 3.074 -2.084 513 HG2 LYS 70 HG2 LYS 70 -22.165 4.043 -2.292 514 HG3 LYS 70 HG3 LYS 70 -22.912 2.468 -2.566 515 HD2 LYS 70 HD2 LYS 70 -22.419 1.790 -0.308 516 HD3 LYS 70 HD3 LYS 70 -21.505 3.272 -0.022 517 HE2 LYS 70 HE2 LYS 70 -23.732 3.382 0.974 518 HE3 LYS 70 HE3 LYS 70 -23.528 4.593 -0.289 519 HZ1 LYS 70 HZ1 LYS 70 -24.945 1.997 -0.602 520 HZ2 LYS 70 HZ2 LYS 70 -24.760 3.174 -1.809 521 HZ3 LYS 70 HZ3 LYS 70 -25.679 3.512 -0.426 522 H ASP 71 H ASP 71 -22.515 2.996 -5.478 523 HA ASP 71 HA ASP 71 -21.294 5.323 -6.606 524 HB2 ASP 71 HB2 ASP 71 -23.346 5.516 -7.889 525 HB3 ASP 71 HB3 ASP 71 -22.821 3.841 -7.884 526 H LEU 72 H LEU 72 -21.497 7.374 -5.973 527 HA LEU 72 HA LEU 72 -23.633 8.083 -4.074 528 HG LEU 72 HG LEU 72 -20.895 6.922 -3.065 529 HB2 LEU 72 HB2 LEU 72 -20.809 9.160 -4.115 530 HB3 LEU 72 HB3 LEU 72 -22.086 9.695 -3.040 531 HD11 LEU 72 HD11 LEU 72 -20.494 9.214 -1.146 532 HD12 LEU 72 HD12 LEU 72 -19.295 8.575 -2.271 533 HD13 LEU 72 HD13 LEU 72 -19.875 7.576 -0.940 534 HD21 LEU 72 HD21 LEU 72 -23.224 6.952 -2.341 535 HD22 LEU 72 HD22 LEU 72 -22.853 8.224 -1.174 536 HD23 LEU 72 HD23 LEU 72 -22.142 6.620 -0.987 537 H GLU 73 H GLU 73 -23.382 10.766 -4.012 538 HA GLU 73 HA GLU 73 -24.257 11.455 -6.686 539 HB2 GLU 73 HB2 GLU 73 -25.265 12.178 -4.356 540 HB3 GLU 73 HB3 GLU 73 -24.060 13.452 -4.468 541 HG2 GLU 73 HG2 GLU 73 -26.214 12.891 -6.496 542 HG3 GLU 73 HG3 GLU 73 -26.249 14.169 -5.284 543 H GLY 74 H GLY 74 -22.675 11.784 -8.088 544 HA2 GLY 74 HA2 GLY 74 -21.176 13.198 -9.165 545 HA3 GLY 74 HA3 GLY 74 -20.969 14.089 -7.667 546 H GLN 75 H GLN 75 -20.599 10.958 -6.831 547 HA GLN 75 HA GLN 75 -17.965 10.447 -7.789 548 HB2 GLN 75 HB2 GLN 75 -16.851 10.561 -5.557 549 HB3 GLN 75 HB3 GLN 75 -17.295 12.131 -6.208 550 HG2 GLN 75 HG2 GLN 75 -19.229 12.213 -4.741 551 HG3 GLN 75 HG3 GLN 75 -18.841 10.607 -4.121 552 HE21 GLN 75 HE21 GLN 75 -18.685 11.426 -2.027 553 HE22 GLN 75 HE22 GLN 75 -17.310 12.332 -1.506 554 H VAL 76 H VAL 76 -17.023 8.516 -6.587 555 HA VAL 76 HA VAL 76 -19.158 6.838 -5.446 556 HB VAL 76 HB VAL 76 -18.208 4.874 -6.571 557 HG11 VAL 76 HG11 VAL 76 -19.024 7.065 -8.471 558 HG12 VAL 76 HG12 VAL 76 -20.109 5.992 -7.587 559 HG13 VAL 76 HG13 VAL 76 -19.039 5.337 -8.827 560 HG21 VAL 76 HG21 VAL 76 -15.934 5.613 -6.887 561 HG22 VAL 76 HG22 VAL 76 -16.465 6.870 -8.005 562 HG23 VAL 76 HG23 VAL 76 -16.634 5.169 -8.442 563 H GLU 77 H GLU 77 -18.359 5.066 -4.136 564 HA GLU 77 HA GLU 77 -15.829 5.758 -2.816 565 HB2 GLU 77 HB2 GLU 77 -17.687 5.668 -1.295 566 HB3 GLU 77 HB3 GLU 77 -18.192 4.103 -1.913 567 HG2 GLU 77 HG2 GLU 77 -16.118 3.112 -1.035 568 HG3 GLU 77 HG3 GLU 77 -15.672 4.683 -0.374 569 H LEU 78 H LEU 78 -14.142 4.691 -3.551 570 HA LEU 78 HA LEU 78 -14.437 1.916 -4.423 571 HG LEU 78 HG LEU 78 -11.403 2.209 -6.519 572 HB2 LEU 78 HB2 LEU 78 -13.139 3.581 -5.800 573 HB3 LEU 78 HB3 LEU 78 -11.982 3.686 -4.493 574 HD11 LEU 78 HD11 LEU 78 -10.242 0.573 -5.127 575 HD12 LEU 78 HD12 LEU 78 -11.229 1.042 -3.744 576 HD13 LEU 78 HD13 LEU 78 -10.106 2.199 -4.459 577 HD21 LEU 78 HD21 LEU 78 -12.219 -0.101 -6.392 578 HD22 LEU 78 HD22 LEU 78 -13.520 1.044 -6.714 579 HD23 LEU 78 HD23 LEU 78 -13.322 0.366 -5.098 580 H ASP 79 H ASP 79 -14.299 0.445 -2.901 581 HA ASP 79 HA ASP 79 -12.580 0.994 -0.561 582 HB2 ASP 79 HB2 ASP 79 -15.031 1.039 -0.059 583 HB3 ASP 79 HB3 ASP 79 -15.134 -0.634 -0.591 584 H ALA 80 H ALA 80 -10.808 -0.177 -0.825 585 HA ALA 80 HA ALA 80 -11.067 -2.899 -1.916 586 HB1 ALA 80 HB1 ALA 80 -8.709 -2.718 -2.528 587 HB2 ALA 80 HB2 ALA 80 -8.648 -1.103 -1.825 588 HB3 ALA 80 HB3 ALA 80 -9.659 -1.413 -3.236 589 H ALA 81 H ALA 81 -10.463 -4.607 -0.773 590 HA ALA 81 HA ALA 81 -9.067 -4.211 1.781 591 HB1 ALA 81 HB1 ALA 81 -11.287 -6.182 1.233 592 HB2 ALA 81 HB2 ALA 81 -11.444 -4.693 2.167 593 HB3 ALA 81 HB3 ALA 81 -10.410 -5.997 2.752 594 H PHE 82 H PHE 82 -7.093 -5.012 1.475 595 HA PHE 82 HA PHE 82 -6.815 -7.585 0.059 596 HD1 PHE 82 HD2 PHE 82 -6.041 -3.711 -0.480 597 HD2 PHE 82 HD1 PHE 82 -4.935 -7.315 -2.452 598 HE1 PHE 82 HE2 PHE 82 -6.528 -2.666 -2.653 599 HE2 PHE 82 HE1 PHE 82 -5.418 -6.276 -4.629 600 HZ PHE 82 HZ PHE 82 -6.218 -3.948 -4.733 601 HB2 PHE 82 HB2 PHE 82 -4.740 -5.460 0.651 602 HB3 PHE 82 HB3 PHE 82 -4.412 -6.990 -0.151 603 H THR 83 H THR 83 -5.545 -9.245 1.046 604 HA THR 83 HA THR 83 -4.616 -8.692 3.773 605 HB THR 83 HB THR 83 -6.189 -11.175 3.041 606 HG1 THR 83 HG1 THR 83 -6.999 -8.710 3.798 607 HG21 THR 83 HG21 THR 83 -5.123 -10.194 5.696 608 HG22 THR 83 HG22 THR 83 -4.481 -11.546 4.764 609 HG23 THR 83 HG23 THR 83 -6.104 -11.639 5.448 610 H PHE 84 H PHE 84 -2.497 -8.922 3.551 611 HA PHE 84 HA PHE 84 -1.455 -10.681 1.487 612 HD1 PHE 84 HD2 PHE 84 0.027 -9.276 -0.388 613 HD2 PHE 84 HD1 PHE 84 -1.415 -6.710 2.681 614 HE1 PHE 84 HE2 PHE 84 -0.652 -7.639 -2.089 615 HE2 PHE 84 HE1 PHE 84 -2.103 -5.063 0.985 616 HZ PHE 84 HZ PHE 84 -1.720 -5.530 -1.403 617 HB2 PHE 84 HB2 PHE 84 -0.124 -8.607 3.233 618 HB3 PHE 84 HB3 PHE 84 0.704 -9.540 1.989 619 H SER 85 H SER 85 0.504 -11.950 1.928 620 HA SER 85 HA SER 85 -0.040 -13.797 4.016 621 HG SER 85 HG SER 85 0.333 -15.425 1.873 622 HB2 SER 85 HB2 SER 85 2.389 -13.553 2.223 623 HB3 SER 85 HB3 SER 85 1.969 -14.962 3.199 624 H CYS 86 H CYS 86 2.168 -11.112 3.643 625 HA CYS 86 HA CYS 86 2.898 -11.375 6.457 626 HG CYS 86 HG CYS 86 7.043 -11.385 6.075 627 HB2 CYS 86 HB2 CYS 86 4.677 -12.559 5.249 628 HB3 CYS 86 HB3 CYS 86 4.942 -11.147 4.233 629 H GLN 87 H GLN 87 3.708 -9.414 7.374 630 HA GLN 87 HA GLN 87 2.540 -7.070 6.301 631 HB2 GLN 87 HB2 GLN 87 2.815 -7.317 8.684 632 HB3 GLN 87 HB3 GLN 87 4.559 -7.448 8.511 633 HG2 GLN 87 HG2 GLN 87 4.784 -5.180 7.958 634 HG3 GLN 87 HG3 GLN 87 3.057 -4.993 7.665 635 HE21 GLN 87 HE21 GLN 87 2.306 -6.491 10.037 636 HE22 GLN 87 HE22 GLN 87 2.629 -5.459 11.386 637 H ALA 88 H ALA 88 5.603 -8.583 5.835 638 HA ALA 88 HA ALA 88 7.203 -6.446 5.031 639 HB1 ALA 88 HB1 ALA 88 7.163 -9.229 3.866 640 HB2 ALA 88 HB2 ALA 88 8.028 -8.744 5.324 641 HB3 ALA 88 HB3 ALA 88 8.488 -8.073 3.759 642 H GLU 89 H GLU 89 4.901 -8.382 3.141 643 HA GLU 89 HA GLU 89 5.298 -6.747 0.796 644 HB2 GLU 89 HB2 GLU 89 3.346 -8.154 -0.083 645 HB3 GLU 89 HB3 GLU 89 4.851 -8.987 0.267 646 HG2 GLU 89 HG2 GLU 89 3.889 -9.660 2.456 647 HG3 GLU 89 HG3 GLU 89 2.358 -8.949 1.945 648 H MET 90 H MET 90 3.153 -6.873 3.496 649 HA MET 90 HA MET 90 1.016 -5.338 2.517 650 HB2 MET 90 HB2 MET 90 0.730 -6.516 4.559 651 HB3 MET 90 HB3 MET 90 2.136 -5.752 5.285 652 HG2 MET 90 HG2 MET 90 0.135 -4.843 6.238 653 HG3 MET 90 HG3 MET 90 0.948 -3.606 5.284 654 HE1 MET 90 HE1 MET 90 -2.049 -3.397 6.311 655 HE2 MET 90 HE2 MET 90 -2.832 -2.726 4.882 656 HE3 MET 90 HE3 MET 90 -1.242 -2.143 5.371 657 H ILE 91 H ILE 91 3.845 -4.280 4.441 658 HA ILE 91 HA ILE 91 3.175 -1.571 4.489 659 HB ILE 91 HB ILE 91 5.603 -1.186 4.999 660 HG12 ILE 91 HG12 ILE 91 5.776 -4.202 4.893 661 HG13 ILE 91 HG13 ILE 91 6.454 -3.127 3.680 662 HG21 ILE 91 HG21 ILE 91 4.208 -3.302 6.619 663 HG22 ILE 91 HG22 ILE 91 3.955 -1.563 6.744 664 HG23 ILE 91 HG23 ILE 91 5.515 -2.260 7.184 665 HD11 ILE 91 HD11 ILE 91 7.250 -3.272 6.575 666 HD12 ILE 91 HD12 ILE 91 7.903 -2.136 5.395 667 HD13 ILE 91 HD13 ILE 91 8.175 -3.867 5.196 668 H ILE 92 H ILE 92 5.279 -3.355 2.237 669 HA ILE 92 HA ILE 92 6.126 -1.017 0.879 670 HB ILE 92 HB ILE 92 6.964 -2.569 -0.882 671 HG12 ILE 92 HG12 ILE 92 6.986 -5.057 0.072 672 HG13 ILE 92 HG13 ILE 92 5.441 -4.546 0.742 673 HG21 ILE 92 HG21 ILE 92 8.361 -1.910 0.981 674 HG22 ILE 92 HG22 ILE 92 8.692 -3.581 0.524 675 HG23 ILE 92 HG23 ILE 92 7.720 -3.236 1.953 676 HD11 ILE 92 HD11 ILE 92 5.131 -5.659 -1.377 677 HD12 ILE 92 HD12 ILE 92 6.219 -4.516 -2.162 678 HD13 ILE 92 HD13 ILE 92 4.678 -3.960 -1.510 679 H PHE 93 H PHE 93 3.388 -3.130 0.540 680 HA PHE 93 HA PHE 93 2.672 -2.421 -2.099 681 HD1 PHE 93 HD1 PHE 93 1.027 -4.174 -3.423 682 HD2 PHE 93 HD2 PHE 93 -1.181 -2.525 -0.181 683 HE1 PHE 93 HE1 PHE 93 -0.976 -4.062 -4.847 684 HE2 PHE 93 HE2 PHE 93 -3.187 -2.414 -1.597 685 HZ PHE 93 HZ PHE 93 -3.084 -3.185 -3.933 686 HB2 PHE 93 HB2 PHE 93 1.747 -4.396 -1.014 687 HB3 PHE 93 HB3 PHE 93 0.955 -3.392 0.196 688 H GLU 94 H GLU 94 1.499 -1.215 1.056 689 HA GLU 94 HA GLU 94 -0.171 0.734 -0.194 690 HB2 GLU 94 HB2 GLU 94 -0.440 1.645 2.124 691 HB3 GLU 94 HB3 GLU 94 -0.893 -0.037 1.921 692 HG2 GLU 94 HG2 GLU 94 0.914 -0.808 3.140 693 HG3 GLU 94 HG3 GLU 94 1.834 0.680 2.916 694 H LEU 95 H LEU 95 3.099 0.737 1.042 695 HA LEU 95 HA LEU 95 3.521 3.531 0.916 696 HG LEU 95 HG LEU 95 4.520 1.698 2.951 697 HB2 LEU 95 HB2 LEU 95 5.385 1.180 0.657 698 HB3 LEU 95 HB3 LEU 95 5.953 2.834 0.549 699 HD11 LEU 95 HD11 LEU 95 6.702 1.644 4.023 700 HD12 LEU 95 HD12 LEU 95 7.465 2.186 2.529 701 HD13 LEU 95 HD13 LEU 95 6.689 0.603 2.598 702 HD21 LEU 95 HD21 LEU 95 5.322 3.715 4.063 703 HD22 LEU 95 HD22 LEU 95 4.301 4.121 2.682 704 HD23 LEU 95 HD23 LEU 95 6.054 4.264 2.556 705 H SER 96 H SER 96 4.005 0.931 -1.446 706 HA SER 96 HA SER 96 4.957 2.589 -3.519 707 HG SER 96 HG SER 96 4.229 1.313 -5.715 708 HB2 SER 96 HB2 SER 96 5.227 0.088 -3.367 709 HB3 SER 96 HB3 SER 96 3.539 -0.058 -3.849 710 H LEU 97 H LEU 97 1.730 1.900 -2.388 711 HA LEU 97 HA LEU 97 0.281 2.680 -4.671 712 HG LEU 97 HG LEU 97 -0.239 0.675 -2.300 713 HB2 LEU 97 HB2 LEU 97 -0.408 3.043 -1.750 714 HB3 LEU 97 HB3 LEU 97 -1.532 3.291 -3.071 715 HD11 LEU 97 HD11 LEU 97 -2.517 0.009 -1.715 716 HD12 LEU 97 HD12 LEU 97 -3.091 1.634 -2.096 717 HD13 LEU 97 HD13 LEU 97 -1.976 1.384 -0.752 718 HD21 LEU 97 HD21 LEU 97 -1.691 -0.312 -4.003 719 HD22 LEU 97 HD22 LEU 97 -0.540 0.824 -4.710 720 HD23 LEU 97 HD23 LEU 97 -2.224 1.298 -4.482 721 H ARG 98 H ARG 98 1.390 4.552 -1.892 722 HA ARG 98 HA ARG 98 0.556 7.067 -2.929 723 HE ARG 98 HE ARG 98 -1.199 7.748 1.609 724 HB2 ARG 98 HB2 ARG 98 2.404 6.282 -0.681 725 HB3 ARG 98 HB3 ARG 98 2.026 7.956 -1.067 726 HG2 ARG 98 HG2 ARG 98 -0.264 7.652 -0.537 727 HG3 ARG 98 HG3 ARG 98 -0.071 5.901 -0.430 728 HD2 ARG 98 HD2 ARG 98 1.192 6.066 1.557 729 HD3 ARG 98 HD3 ARG 98 1.406 7.806 1.371 730 HH11 ARG 98 HH11 ARG 98 1.087 5.750 3.366 731 HH12 ARG 98 HH12 ARG 98 0.110 5.677 4.793 732 HH21 ARG 98 HH21 ARG 98 -2.490 7.640 3.481 733 HH22 ARG 98 HH22 ARG 98 -1.927 6.753 4.869 734 H SER 99 H SER 99 3.417 5.130 -3.201 735 HA SER 99 HA SER 99 4.985 7.385 -4.192 736 HG SER 99 HG SER 99 5.290 5.350 -1.667 737 HB2 SER 99 HB2 SER 99 5.883 4.563 -3.607 738 HB3 SER 99 HB3 SER 99 6.912 5.969 -3.882 739 H LEU 100 H LEU 100 2.882 5.410 -5.633 740 HA LEU 100 HA LEU 100 4.521 4.687 -7.920 741 HG LEU 100 HG LEU 100 2.350 4.205 -9.974 742 HB2 LEU 100 HB2 LEU 100 2.622 3.259 -7.114 743 HB3 LEU 100 HB3 LEU 100 1.521 4.507 -7.663 744 HD11 LEU 100 HD11 LEU 100 4.592 3.396 -9.447 745 HD12 LEU 100 HD12 LEU 100 3.744 2.276 -10.514 746 HD13 LEU 100 HD13 LEU 100 3.909 1.908 -8.797 747 HD21 LEU 100 HD21 LEU 100 0.366 3.011 -9.224 748 HD22 LEU 100 HD22 LEU 100 1.372 1.683 -8.647 749 HD23 LEU 100 HD23 LEU 100 1.290 2.039 -10.372 750 H ALA 101 H ALA 101 2.315 7.172 -6.937 751 HA ALA 101 HA ALA 101 2.317 8.411 -9.567 752 HB1 ALA 101 HB1 ALA 101 0.971 10.170 -8.507 753 HB2 ALA 101 HB2 ALA 101 1.198 9.395 -6.939 754 HB3 ALA 101 HB3 ALA 101 0.293 8.569 -8.208 755 H LEU 102 H LEU 102 4.121 8.375 -6.695 756 HA LEU 102 HA LEU 102 5.724 10.666 -7.596 757 HG LEU 102 HG LEU 102 3.152 11.113 -5.803 758 HB2 LEU 102 HB2 LEU 102 5.069 9.974 -4.731 759 HB3 LEU 102 HB3 LEU 102 6.118 11.275 -5.254 760 HD11 LEU 102 HD11 LEU 102 3.643 11.468 -3.441 761 HD12 LEU 102 HD12 LEU 102 2.970 12.922 -4.178 762 HD13 LEU 102 HD13 LEU 102 4.703 12.815 -3.857 763 HD21 LEU 102 HD21 LEU 102 5.155 13.309 -6.315 764 HD22 LEU 102 HD22 LEU 102 3.413 13.430 -6.552 765 HD23 LEU 102 HD23 LEU 102 4.361 12.319 -7.540 766 H GLU 103 H GLU 103 7.170 9.204 -8.573 767 HA GLU 103 HA GLU 103 8.231 6.995 -7.082 768 HB2 GLU 103 HB2 GLU 103 8.836 8.093 -9.812 769 HB3 GLU 103 HB3 GLU 103 9.769 6.779 -9.107 770 HG2 GLU 103 HG2 GLU 103 7.614 5.537 -8.809 771 HG3 GLU 103 HG3 GLU 103 6.839 6.802 -9.763 772 H HIS 104 H HIS 104 8.832 10.110 -6.601 773 HA HIS 104 HA HIS 104 11.683 9.995 -6.289 774 HD1 HIS 104 HD1 HIS 104 12.845 11.696 -7.166 775 HD2 HIS 104 HD2 HIS 104 9.358 13.951 -6.913 776 HE1 HIS 104 HE1 HIS 104 13.017 13.423 -8.989 777 HE2 HIS 104 HE2 HIS 104 10.999 14.900 -8.672 778 HB2 HIS 104 HB2 HIS 104 9.567 11.853 -5.225 779 HB3 HIS 104 HB3 HIS 104 11.220 11.934 -4.629 780 H HIS 105 H HIS 105 9.050 8.609 -4.712 781 HA HIS 105 HA HIS 105 10.721 7.951 -2.379 782 HD1 HIS 105 HD1 HIS 105 6.480 9.696 -2.058 783 HD2 HIS 105 HD2 HIS 105 10.283 9.579 -0.366 784 HE1 HIS 105 HE1 HIS 105 6.706 11.829 -0.741 785 HE2 HIS 105 HE2 HIS 105 8.948 11.664 0.398 786 HB2 HIS 105 HB2 HIS 105 7.728 7.695 -2.749 787 HB3 HIS 105 HB3 HIS 105 8.607 7.094 -1.351 788 H HIS 106 H HIS 106 11.871 6.584 -4.029 789 HA HIS 106 HA HIS 106 10.878 3.877 -3.720 790 HD1 HIS 106 HD1 HIS 106 11.346 2.963 -8.253 791 HD2 HIS 106 HD2 HIS 106 10.223 1.790 -4.422 792 HE1 HIS 106 HE1 HIS 106 10.982 0.475 -8.383 793 HE2 HIS 106 HE2 HIS 106 10.076 -0.159 -6.117 794 HB2 HIS 106 HB2 HIS 106 10.007 4.785 -5.958 795 HB3 HIS 106 HB3 HIS 106 11.685 4.781 -6.488 796 H HIS 107 H HIS 107 13.365 6.125 -4.731 797 HA HIS 107 HA HIS 107 15.441 4.145 -4.188 798 HD1 HIS 107 HD1 HIS 107 17.885 4.187 -6.036 799 HD2 HIS 107 HD2 HIS 107 14.554 6.002 -7.739 800 HE1 HIS 107 HE1 HIS 107 17.791 3.340 -8.404 801 HE2 HIS 107 HE2 HIS 107 15.652 4.288 -9.344 802 HB2 HIS 107 HB2 HIS 107 15.482 6.949 -5.278 803 HB3 HIS 107 HB3 HIS 107 16.957 6.190 -4.687 804 H HIS 108 H HIS 108 16.921 4.352 -2.537 805 HA HIS 108 HA HIS 108 17.013 6.297 -0.546 806 HD1 HIS 108 HD1 HIS 108 16.139 3.542 2.551 807 HD2 HIS 108 HD2 HIS 108 15.285 7.551 1.814 808 HE1 HIS 108 HE1 HIS 108 16.287 4.696 4.783 809 HE2 HIS 108 HE2 HIS 108 15.877 7.135 4.299 810 HB2 HIS 108 HB2 HIS 108 14.637 5.591 -0.146 811 HB3 HIS 108 HB3 HIS 108 15.218 3.971 0.213 812 H HIS 109 H HIS 109 17.312 3.078 -1.645 813 HA HIS 109 HA HIS 109 19.577 2.601 0.154 814 HD1 HIS 109 HD1 HIS 109 18.394 -0.929 -2.512 815 HD2 HIS 109 HD2 HIS 109 15.481 1.450 -0.733 816 HE1 HIS 109 HE1 HIS 109 16.274 -1.371 -3.793 817 HE2 HIS 109 HE2 HIS 109 14.488 -0.111 -2.537 818 HB2 HIS 109 HB2 HIS 109 19.172 0.145 -0.360 819 HB3 HIS 109 HB3 HIS 109 17.958 0.924 0.643 Start of MODEL 10 1 HA MET 1 HA MET 1 49.322 21.515 -20.327 2 H1 MET 1 H1 MET 1 52.142 21.093 -21.129 3 H2 MET 1 H2 MET 1 51.548 21.080 -19.540 4 H3 MET 1 H3 MET 1 51.501 22.509 -20.451 5 HB2 MET 1 HB2 MET 1 50.677 21.406 -23.024 6 HB3 MET 1 HB3 MET 1 48.948 21.169 -22.825 7 HG2 MET 1 HG2 MET 1 49.307 23.426 -23.466 8 HG3 MET 1 HG3 MET 1 48.822 23.419 -21.773 9 HE1 MET 1 HE1 MET 1 52.344 22.640 -23.434 10 HE2 MET 1 HE2 MET 1 53.101 24.227 -23.303 11 HE3 MET 1 HE3 MET 1 51.692 24.005 -24.340 12 H ALA 2 H ALA 2 48.790 19.691 -19.347 13 HA ALA 2 HA ALA 2 48.547 17.287 -20.822 14 HB1 ALA 2 HB1 ALA 2 49.996 15.837 -19.488 15 HB2 ALA 2 HB2 ALA 2 50.600 17.242 -18.608 16 HB3 ALA 2 HB3 ALA 2 50.935 17.069 -20.332 17 H MET 3 H MET 3 46.417 17.820 -20.092 18 HA MET 3 HA MET 3 45.889 16.700 -17.453 19 HB2 MET 3 HB2 MET 3 44.198 18.525 -17.012 20 HB3 MET 3 HB3 MET 3 45.883 18.999 -16.885 21 HG2 MET 3 HG2 MET 3 44.358 19.438 -19.421 22 HG3 MET 3 HG3 MET 3 44.221 20.565 -18.074 23 HE1 MET 3 HE1 MET 3 47.866 21.882 -17.686 24 HE2 MET 3 HE2 MET 3 47.124 20.539 -16.821 25 HE3 MET 3 HE3 MET 3 46.197 22.006 -17.131 26 H LYS 4 H LYS 4 44.822 14.963 -18.045 27 HA LYS 4 HA LYS 4 42.331 15.349 -19.567 28 HB2 LYS 4 HB2 LYS 4 44.279 13.040 -19.787 29 HB3 LYS 4 HB3 LYS 4 42.662 13.034 -20.479 30 HG2 LYS 4 HG2 LYS 4 43.234 14.887 -21.920 31 HG3 LYS 4 HG3 LYS 4 44.828 15.003 -21.175 32 HD2 LYS 4 HD2 LYS 4 44.963 13.852 -23.311 33 HD3 LYS 4 HD3 LYS 4 45.363 12.754 -21.990 34 HE2 LYS 4 HE2 LYS 4 43.930 11.682 -23.659 35 HE3 LYS 4 HE3 LYS 4 43.133 11.792 -22.090 36 HZ1 LYS 4 HZ1 LYS 4 41.748 13.505 -22.843 37 HZ2 LYS 4 HZ2 LYS 4 41.768 12.391 -24.120 38 HZ3 LYS 4 HZ3 LYS 4 42.696 13.808 -24.216 39 H ASP 5 H ASP 5 42.748 15.467 -16.772 40 HA ASP 5 HA ASP 5 42.124 12.878 -15.653 41 HB2 ASP 5 HB2 ASP 5 42.271 13.993 -13.470 42 HB3 ASP 5 HB3 ASP 5 43.687 14.321 -14.459 43 H VAL 6 H VAL 6 40.161 12.242 -16.154 44 HA VAL 6 HA VAL 6 37.941 13.630 -14.848 45 HB VAL 6 HB VAL 6 36.469 12.904 -16.790 46 HG11 VAL 6 HG11 VAL 6 36.897 14.938 -18.076 47 HG12 VAL 6 HG12 VAL 6 38.469 15.102 -17.297 48 HG13 VAL 6 HG13 VAL 6 36.992 15.245 -16.343 49 HG21 VAL 6 HG21 VAL 6 38.035 11.432 -17.915 50 HG22 VAL 6 HG22 VAL 6 39.126 12.785 -18.208 51 HG23 VAL 6 HG23 VAL 6 37.547 12.740 -18.993 52 H VAL 7 H VAL 7 39.458 11.495 -13.981 53 HA VAL 7 HA VAL 7 38.226 9.004 -14.812 54 HB VAL 7 HB VAL 7 40.411 9.439 -12.771 55 HG11 VAL 7 HG11 VAL 7 40.915 7.071 -13.148 56 HG12 VAL 7 HG12 VAL 7 39.535 6.955 -14.241 57 HG13 VAL 7 HG13 VAL 7 39.277 7.296 -12.530 58 HG21 VAL 7 HG21 VAL 7 41.092 10.284 -14.950 59 HG22 VAL 7 HG22 VAL 7 40.633 8.754 -15.698 60 HG23 VAL 7 HG23 VAL 7 41.969 8.807 -14.547 61 H ASP 8 H ASP 8 36.154 9.106 -13.963 62 HA ASP 8 HA ASP 8 36.089 8.198 -11.203 63 HB2 ASP 8 HB2 ASP 8 34.390 9.635 -10.444 64 HB3 ASP 8 HB3 ASP 8 35.483 10.714 -11.302 65 H LYS 9 H LYS 9 34.371 6.838 -10.756 66 HA LYS 9 HA LYS 9 32.866 5.964 -13.111 67 HB2 LYS 9 HB2 LYS 9 33.289 3.602 -12.407 68 HB3 LYS 9 HB3 LYS 9 34.698 4.448 -13.009 69 HG2 LYS 9 HG2 LYS 9 35.396 4.842 -10.657 70 HG3 LYS 9 HG3 LYS 9 34.042 3.832 -10.137 71 HD2 LYS 9 HD2 LYS 9 35.997 2.455 -10.196 72 HD3 LYS 9 HD3 LYS 9 34.981 1.996 -11.566 73 HE2 LYS 9 HE2 LYS 9 36.366 3.540 -12.978 74 HE3 LYS 9 HE3 LYS 9 37.454 3.718 -11.603 75 HZ1 LYS 9 HZ1 LYS 9 38.298 2.050 -13.068 76 HZ2 LYS 9 HZ2 LYS 9 36.827 1.210 -13.056 77 HZ3 LYS 9 HZ3 LYS 9 37.769 1.286 -11.648 78 H CYS 10 H CYS 10 31.031 6.862 -12.398 79 HA CYS 10 HA CYS 10 30.008 6.096 -9.767 80 HG CYS 10 HG CYS 10 30.952 9.339 -12.056 81 HB2 CYS 10 HB2 CYS 10 28.272 7.950 -10.527 82 HB3 CYS 10 HB3 CYS 10 29.841 8.387 -9.854 83 H SER 11 H SER 11 28.803 4.338 -9.799 84 HA SER 11 HA SER 11 26.552 4.240 -11.644 85 HG SER 11 HG SER 11 26.993 1.080 -12.992 86 HB2 SER 11 HB2 SER 11 28.288 2.830 -12.687 87 HB3 SER 11 HB3 SER 11 28.404 1.883 -11.205 88 H THR 12 H THR 12 25.225 4.749 -9.936 89 HA THR 12 HA THR 12 25.129 2.840 -7.719 90 HB THR 12 HB THR 12 23.661 4.550 -6.606 91 HG1 THR 12 HG1 THR 12 22.897 5.923 -8.065 92 HG21 THR 12 HG21 THR 12 26.024 4.419 -6.056 93 HG22 THR 12 HG22 THR 12 25.488 6.100 -6.055 94 HG23 THR 12 HG23 THR 12 26.419 5.470 -7.416 95 H LYS 13 H LYS 13 23.432 1.554 -7.458 96 HA LYS 13 HA LYS 13 21.350 1.607 -9.502 97 HB2 LYS 13 HB2 LYS 13 22.522 -0.511 -9.057 98 HB3 LYS 13 HB3 LYS 13 21.988 -0.456 -7.384 99 HG2 LYS 13 HG2 LYS 13 19.679 -0.676 -8.088 100 HG3 LYS 13 HG3 LYS 13 20.178 -0.662 -9.780 101 HD2 LYS 13 HD2 LYS 13 21.193 -2.706 -7.820 102 HD3 LYS 13 HD3 LYS 13 19.696 -2.933 -8.722 103 HE2 LYS 13 HE2 LYS 13 21.355 -4.059 -9.955 104 HE3 LYS 13 HE3 LYS 13 21.064 -2.556 -10.822 105 HZ1 LYS 13 HZ1 LYS 13 23.434 -3.172 -10.579 106 HZ2 LYS 13 HZ2 LYS 13 23.300 -2.949 -8.907 107 HZ3 LYS 13 HZ3 LYS 13 23.069 -1.640 -9.961 108 H GLY 14 H GLY 14 21.709 1.538 -5.981 109 HA2 GLY 14 HA2 GLY 14 20.404 2.925 -4.551 110 HA3 GLY 14 HA3 GLY 14 19.144 2.957 -5.776 111 H CYS 15 H CYS 15 17.406 1.809 -5.329 112 HA CYS 15 HA CYS 15 16.015 0.176 -4.598 113 HG CYS 15 HG CYS 15 16.126 -2.394 -2.755 114 HB2 CYS 15 HB2 CYS 15 17.598 -1.391 -5.643 115 HB3 CYS 15 HB3 CYS 15 18.547 -1.428 -4.162 116 H ALA 16 H ALA 16 17.854 1.971 -2.720 117 HA ALA 16 HA ALA 16 17.525 0.541 -0.212 118 HB1 ALA 16 HB1 ALA 16 18.789 2.351 0.786 119 HB2 ALA 16 HB2 ALA 16 18.709 3.267 -0.720 120 HB3 ALA 16 HB3 ALA 16 19.615 1.754 -0.654 121 H ILE 17 H ILE 17 15.390 0.499 0.271 122 HA ILE 17 HA ILE 17 13.515 1.192 1.344 123 HB ILE 17 HB ILE 17 14.731 3.957 1.468 124 HG12 ILE 17 HG12 ILE 17 16.263 2.321 2.476 125 HG13 ILE 17 HG13 ILE 17 15.536 3.348 3.705 126 HG21 ILE 17 HG21 ILE 17 12.601 2.627 3.136 127 HG22 ILE 17 HG22 ILE 17 12.349 3.900 1.942 128 HG23 ILE 17 HG23 ILE 17 13.264 4.238 3.411 129 HD11 ILE 17 HD11 ILE 17 13.970 1.550 4.267 130 HD12 ILE 17 HD12 ILE 17 15.652 1.051 4.453 131 HD13 ILE 17 HD13 ILE 17 14.728 0.524 3.047 132 H ASP 18 H ASP 18 11.521 1.722 0.580 133 HA ASP 18 HA ASP 18 11.286 2.626 -2.109 134 HB2 ASP 18 HB2 ASP 18 9.685 1.053 -0.929 135 HB3 ASP 18 HB3 ASP 18 9.036 2.459 -0.092 136 H ILE 19 H ILE 19 10.252 4.083 0.973 137 HA ILE 19 HA ILE 19 10.183 6.705 -0.378 138 HB ILE 19 HB ILE 19 8.942 6.191 2.304 139 HG12 ILE 19 HG12 ILE 19 7.530 5.786 -0.341 140 HG13 ILE 19 HG13 ILE 19 8.026 4.489 0.745 141 HG21 ILE 19 HG21 ILE 19 8.314 8.135 0.089 142 HG22 ILE 19 HG22 ILE 19 9.206 8.491 1.569 143 HG23 ILE 19 HG23 ILE 19 7.499 8.051 1.652 144 HD11 ILE 19 HD11 ILE 19 6.565 5.430 2.484 145 HD12 ILE 19 HD12 ILE 19 5.685 4.956 1.031 146 HD13 ILE 19 HD13 ILE 19 6.031 6.659 1.337 147 H GLY 20 H GLY 20 10.433 5.644 2.965 148 HA2 GLY 20 HA2 GLY 20 12.898 6.133 3.817 149 HA3 GLY 20 HA3 GLY 20 12.317 7.776 3.551 150 H THR 21 H THR 21 9.584 7.104 4.181 151 HA THR 21 HA THR 21 9.685 7.093 7.072 152 HB THR 21 HB THR 21 7.142 6.979 5.481 153 HG1 THR 21 HG1 THR 21 7.334 9.060 4.850 154 HG21 THR 21 HG21 THR 21 7.013 6.997 7.915 155 HG22 THR 21 HG22 THR 21 6.369 8.499 7.254 156 HG23 THR 21 HG23 THR 21 7.981 8.469 7.970 157 H VAL 22 H VAL 22 9.296 5.307 8.314 158 HA VAL 22 HA VAL 22 8.200 2.939 6.956 159 HB VAL 22 HB VAL 22 9.508 1.556 8.539 160 HG11 VAL 22 HG11 VAL 22 11.114 3.425 6.809 161 HG12 VAL 22 HG12 VAL 22 10.350 1.917 6.304 162 HG13 VAL 22 HG13 VAL 22 11.691 1.888 7.449 163 HG21 VAL 22 HG21 VAL 22 9.819 3.164 10.334 164 HG22 VAL 22 HG22 VAL 22 10.816 4.169 9.282 165 HG23 VAL 22 HG23 VAL 22 11.380 2.569 9.766 166 H ILE 23 H ILE 23 7.500 1.290 8.724 167 HA ILE 23 HA ILE 23 5.981 0.659 10.249 168 HB ILE 23 HB ILE 23 6.587 3.296 11.586 169 HG12 ILE 23 HG12 ILE 23 7.670 0.518 12.108 170 HG13 ILE 23 HG13 ILE 23 8.547 1.808 11.292 171 HG21 ILE 23 HG21 ILE 23 5.255 0.814 12.686 172 HG22 ILE 23 HG22 ILE 23 4.446 2.339 12.326 173 HG23 ILE 23 HG23 ILE 23 5.657 2.266 13.605 174 HD11 ILE 23 HD11 ILE 23 7.604 1.840 14.150 175 HD12 ILE 23 HD12 ILE 23 8.466 3.147 13.337 176 HD13 ILE 23 HD13 ILE 23 9.259 1.593 13.597 177 H ASP 24 H ASP 24 4.546 0.855 8.448 178 HA ASP 24 HA ASP 24 2.322 2.668 9.096 179 HB2 ASP 24 HB2 ASP 24 3.415 1.896 6.388 180 HB3 ASP 24 HB3 ASP 24 1.742 2.406 6.578 181 H ASN 25 H ASN 25 3.121 -0.089 9.854 182 HA ASN 25 HA ASN 25 1.360 -1.847 8.389 183 HB2 ASN 25 HB2 ASN 25 2.249 -3.594 9.943 184 HB3 ASN 25 HB3 ASN 25 3.492 -2.750 9.024 185 HD21 ASN 25 HD21 ASN 25 2.231 -3.453 12.144 186 HD22 ASN 25 HD22 ASN 25 3.454 -2.633 13.052 187 H ASP 26 H ASP 26 -0.128 -3.272 9.520 188 HA ASP 26 HA ASP 26 -1.298 -2.363 11.995 189 HB2 ASP 26 HB2 ASP 26 -2.369 -0.805 10.475 190 HB3 ASP 26 HB3 ASP 26 -2.780 -2.109 9.365 191 H ASN 27 H ASN 27 -2.332 -4.129 9.092 192 HA ASN 27 HA ASN 27 -2.201 -6.650 10.568 193 HB2 ASN 27 HB2 ASN 27 -4.648 -5.469 9.292 194 HB3 ASN 27 HB3 ASN 27 -4.433 -7.216 9.292 195 HD21 ASN 27 HD21 ASN 27 -5.019 -4.391 11.231 196 HD22 ASN 27 HD22 ASN 27 -5.469 -5.245 12.676 197 H CYS 28 H CYS 28 -3.005 -8.413 8.700 198 HA CYS 28 HA CYS 28 -1.103 -8.048 6.539 199 HG CYS 28 HG CYS 28 -1.673 -11.168 9.049 200 HB2 CYS 28 HB2 CYS 28 -3.037 -10.320 7.063 201 HB3 CYS 28 HB3 CYS 28 -1.729 -10.334 5.888 202 H THR 29 H THR 29 -4.381 -7.497 7.143 203 HA THR 29 HA THR 29 -4.997 -7.205 4.291 204 HB THR 29 HB THR 29 -6.899 -7.065 6.642 205 HG1 THR 29 HG1 THR 29 -7.537 -9.196 5.608 206 HG21 THR 29 HG21 THR 29 -8.638 -7.343 4.919 207 HG22 THR 29 HG22 THR 29 -7.397 -7.285 3.668 208 HG23 THR 29 HG23 THR 29 -7.703 -5.868 4.673 209 H SER 30 H SER 30 -4.836 -5.228 3.452 210 HA SER 30 HA SER 30 -4.954 -2.921 5.271 211 HG SER 30 HG SER 30 -2.992 -1.028 2.987 212 HB2 SER 30 HB2 SER 30 -2.883 -3.275 3.852 213 HB3 SER 30 HB3 SER 30 -3.888 -2.966 2.436 214 H LYS 31 H LYS 31 -6.549 -1.450 5.065 215 HA LYS 31 HA LYS 31 -8.530 -1.892 2.944 216 HB2 LYS 31 HB2 LYS 31 -8.693 -0.287 5.505 217 HB3 LYS 31 HB3 LYS 31 -9.990 -0.434 4.328 218 HG2 LYS 31 HG2 LYS 31 -8.783 -2.707 5.892 219 HG3 LYS 31 HG3 LYS 31 -10.310 -1.906 6.249 220 HD2 LYS 31 HD2 LYS 31 -9.850 -3.114 3.554 221 HD3 LYS 31 HD3 LYS 31 -10.303 -4.138 4.914 222 HE2 LYS 31 HE2 LYS 31 -12.264 -3.479 3.628 223 HE3 LYS 31 HE3 LYS 31 -12.322 -2.801 5.252 224 HZ1 LYS 31 HZ1 LYS 31 -11.278 -1.234 2.979 225 HZ2 LYS 31 HZ2 LYS 31 -11.869 -0.674 4.464 226 HZ3 LYS 31 HZ3 LYS 31 -12.936 -1.300 3.300 227 H PHE 32 H PHE 32 -8.284 -0.701 1.215 228 HA PHE 32 HA PHE 32 -7.061 1.970 1.479 229 HD1 PHE 32 HD2 PHE 32 -4.815 2.804 0.395 230 HD2 PHE 32 HD1 PHE 32 -7.089 1.183 -2.813 231 HE1 PHE 32 HE2 PHE 32 -4.005 4.601 -1.080 232 HE2 PHE 32 HE1 PHE 32 -6.285 2.970 -4.293 233 HZ PHE 32 HZ PHE 32 -4.745 4.686 -3.428 234 HB2 PHE 32 HB2 PHE 32 -5.642 0.353 0.291 235 HB3 PHE 32 HB3 PHE 32 -6.952 0.016 -0.834 236 H SER 33 H SER 33 -8.421 3.593 1.069 237 HA SER 33 HA SER 33 -10.689 3.075 -0.727 238 HG SER 33 HG SER 33 -10.378 4.417 2.811 239 HB2 SER 33 HB2 SER 33 -11.776 5.023 0.545 240 HB3 SER 33 HB3 SER 33 -11.639 3.487 1.397 241 H ARG 34 H ARG 34 -11.100 4.394 -2.355 242 HA ARG 34 HA ARG 34 -9.697 6.955 -2.568 243 HE ARG 34 HE ARG 34 -5.630 6.468 -2.698 244 HB2 ARG 34 HB2 ARG 34 -9.618 4.685 -4.528 245 HB3 ARG 34 HB3 ARG 34 -9.511 6.341 -5.099 246 HG2 ARG 34 HG2 ARG 34 -7.663 5.123 -3.060 247 HG3 ARG 34 HG3 ARG 34 -7.317 5.249 -4.787 248 HD2 ARG 34 HD2 ARG 34 -7.444 7.660 -4.675 249 HD3 ARG 34 HD3 ARG 34 -7.918 7.585 -2.980 250 HH11 ARG 34 HH11 ARG 34 -6.315 8.911 -5.111 251 HH12 ARG 34 HH12 ARG 34 -4.707 9.581 -5.077 252 HH21 ARG 34 HH21 ARG 34 -3.512 7.340 -2.651 253 HH22 ARG 34 HH22 ARG 34 -3.112 8.669 -3.690 254 H PHE 35 H PHE 35 -10.845 8.520 -3.731 255 HA PHE 35 HA PHE 35 -13.649 7.771 -4.229 256 HD1 PHE 35 HD2 PHE 35 -11.430 9.494 -1.306 257 HD2 PHE 35 HD1 PHE 35 -15.533 8.641 -2.044 258 HE1 PHE 35 HE2 PHE 35 -11.661 8.635 0.988 259 HE2 PHE 35 HE1 PHE 35 -15.770 7.781 0.248 260 HZ PHE 35 HZ PHE 35 -13.831 7.779 1.768 261 HB2 PHE 35 HB2 PHE 35 -12.577 10.418 -3.234 262 HB3 PHE 35 HB3 PHE 35 -14.271 10.050 -3.543 263 H PHE 36 H PHE 36 -14.492 8.220 -6.136 264 HA PHE 36 HA PHE 36 -12.973 9.924 -7.984 265 HD1 PHE 36 HD2 PHE 36 -11.115 8.960 -9.906 266 HD2 PHE 36 HD1 PHE 36 -12.440 5.912 -7.248 267 HE1 PHE 36 HE2 PHE 36 -8.793 8.190 -9.637 268 HE2 PHE 36 HE1 PHE 36 -10.123 5.139 -6.976 269 HZ PHE 36 HZ PHE 36 -8.295 6.274 -8.169 270 HB2 PHE 36 HB2 PHE 36 -14.003 7.136 -8.537 271 HB3 PHE 36 HB3 PHE 36 -13.484 8.248 -9.797 272 H ALA 37 H ALA 37 -14.316 10.231 -10.064 273 HA ALA 37 HA ALA 37 -16.759 11.476 -9.340 274 HB1 ALA 37 HB1 ALA 37 -16.976 12.016 -11.684 275 HB2 ALA 37 HB2 ALA 37 -15.755 10.815 -12.108 276 HB3 ALA 37 HB3 ALA 37 -15.300 12.247 -11.183 277 H THR 38 H THR 38 -16.135 8.679 -11.481 278 HA THR 38 HA THR 38 -18.847 7.738 -10.817 279 HB THR 38 HB THR 38 -18.933 6.701 -13.086 280 HG1 THR 38 HG1 THR 38 -17.408 7.280 -14.615 281 HG21 THR 38 HG21 THR 38 -19.387 8.780 -14.317 282 HG22 THR 38 HG22 THR 38 -18.572 9.699 -13.051 283 HG23 THR 38 HG23 THR 38 -20.058 8.824 -12.686 284 H ARG 39 H ARG 39 -19.140 5.408 -10.928 285 HA ARG 39 HA ARG 39 -17.193 3.885 -9.650 286 HE ARG 39 HE ARG 39 -18.657 -1.091 -11.185 287 HB2 ARG 39 HB2 ARG 39 -19.435 3.113 -9.623 288 HB3 ARG 39 HB3 ARG 39 -19.537 3.101 -11.377 289 HG2 ARG 39 HG2 ARG 39 -18.023 1.217 -11.484 290 HG3 ARG 39 HG3 ARG 39 -17.797 1.271 -9.734 291 HD2 ARG 39 HD2 ARG 39 -20.103 0.696 -9.368 292 HD3 ARG 39 HD3 ARG 39 -20.446 0.802 -11.096 293 HH11 ARG 39 HH11 ARG 39 -21.106 -0.636 -8.727 294 HH12 ARG 39 HH12 ARG 39 -21.260 -2.331 -8.367 295 HH21 ARG 39 HH21 ARG 39 -18.874 -3.335 -10.753 296 HH22 ARG 39 HH22 ARG 39 -20.003 -3.871 -9.536 297 H GLU 40 H GLU 40 -17.731 4.474 -13.039 298 HA GLU 40 HA GLU 40 -16.024 2.660 -14.251 299 HB2 GLU 40 HB2 GLU 40 -16.384 5.571 -14.967 300 HB3 GLU 40 HB3 GLU 40 -15.836 4.293 -16.038 301 HG2 GLU 40 HG2 GLU 40 -17.976 3.252 -16.007 302 HG3 GLU 40 HG3 GLU 40 -18.539 4.333 -14.734 303 H GLU 41 H GLU 41 -15.312 5.916 -13.067 304 HA GLU 41 HA GLU 41 -12.556 5.919 -13.590 305 HB2 GLU 41 HB2 GLU 41 -14.143 7.431 -11.504 306 HB3 GLU 41 HB3 GLU 41 -12.502 7.820 -11.992 307 HG2 GLU 41 HG2 GLU 41 -14.875 7.832 -13.836 308 HG3 GLU 41 HG3 GLU 41 -14.227 9.258 -13.028 309 H ALA 42 H ALA 42 -14.447 4.598 -11.007 310 HA ALA 42 HA ALA 42 -12.283 4.357 -9.129 311 HB1 ALA 42 HB1 ALA 42 -14.970 2.987 -9.130 312 HB2 ALA 42 HB2 ALA 42 -14.618 4.546 -8.386 313 HB3 ALA 42 HB3 ALA 42 -13.847 3.081 -7.774 314 H GLU 43 H GLU 43 -14.052 2.089 -11.221 315 HA GLU 43 HA GLU 43 -12.497 -0.171 -10.536 316 HB2 GLU 43 HB2 GLU 43 -14.129 0.362 -13.026 317 HB3 GLU 43 HB3 GLU 43 -13.501 -1.208 -12.539 318 HG2 GLU 43 HG2 GLU 43 -14.813 -0.950 -10.411 319 HG3 GLU 43 HG3 GLU 43 -15.580 0.455 -11.147 320 H SER 44 H SER 44 -12.014 2.443 -12.754 321 HA SER 44 HA SER 44 -10.042 1.271 -14.396 322 HG SER 44 HG SER 44 -12.237 3.380 -14.670 323 HB2 SER 44 HB2 SER 44 -10.410 4.178 -13.623 324 HB3 SER 44 HB3 SER 44 -9.415 3.591 -14.958 325 H PHE 45 H PHE 45 -9.945 2.609 -11.175 326 HA PHE 45 HA PHE 45 -7.074 2.856 -11.127 327 HD1 PHE 45 HD2 PHE 45 -6.255 5.037 -10.036 328 HD2 PHE 45 HD1 PHE 45 -7.610 2.484 -6.915 329 HE1 PHE 45 HE2 PHE 45 -4.306 5.677 -8.674 330 HE2 PHE 45 HE1 PHE 45 -5.668 3.120 -5.547 331 HZ PHE 45 HZ PHE 45 -4.015 4.718 -6.426 332 HB2 PHE 45 HB2 PHE 45 -8.711 4.247 -9.760 333 HB3 PHE 45 HB3 PHE 45 -8.956 2.820 -8.762 334 H MET 46 H MET 46 -9.508 0.540 -10.200 335 HA MET 46 HA MET 46 -7.897 -1.149 -8.617 336 HB2 MET 46 HB2 MET 46 -10.326 -1.238 -8.524 337 HB3 MET 46 HB3 MET 46 -10.399 -1.747 -10.204 338 HG2 MET 46 HG2 MET 46 -10.771 -3.595 -8.644 339 HG3 MET 46 HG3 MET 46 -9.355 -3.848 -9.659 340 HE1 MET 46 HE1 MET 46 -10.585 -2.682 -6.101 341 HE2 MET 46 HE2 MET 46 -9.498 -1.387 -6.602 342 HE3 MET 46 HE3 MET 46 -9.049 -2.450 -5.268 343 H THR 47 H THR 47 -8.505 -1.013 -12.077 344 HA THR 47 HA THR 47 -7.558 -3.503 -12.853 345 HB THR 47 HB THR 47 -7.222 -0.923 -14.394 346 HG1 THR 47 HG1 THR 47 -9.322 -1.337 -15.153 347 HG21 THR 47 HG21 THR 47 -6.036 -2.822 -15.376 348 HG22 THR 47 HG22 THR 47 -7.426 -2.371 -16.364 349 HG23 THR 47 HG23 THR 47 -7.512 -3.786 -15.317 350 H LYS 48 H LYS 48 -5.705 -0.447 -12.624 351 HA LYS 48 HA LYS 48 -3.248 -1.706 -13.308 352 HB2 LYS 48 HB2 LYS 48 -2.216 0.450 -12.637 353 HB3 LYS 48 HB3 LYS 48 -3.496 0.598 -13.833 354 HG2 LYS 48 HG2 LYS 48 -5.052 1.283 -12.087 355 HG3 LYS 48 HG3 LYS 48 -3.766 1.144 -10.887 356 HD2 LYS 48 HD2 LYS 48 -4.023 3.437 -11.541 357 HD3 LYS 48 HD3 LYS 48 -2.474 2.840 -12.125 358 HE2 LYS 48 HE2 LYS 48 -3.531 4.175 -13.839 359 HE3 LYS 48 HE3 LYS 48 -3.485 2.488 -14.344 360 HZ1 LYS 48 HZ1 LYS 48 -5.622 3.503 -14.830 361 HZ2 LYS 48 HZ2 LYS 48 -5.846 3.880 -13.192 362 HZ3 LYS 48 HZ3 LYS 48 -5.797 2.261 -13.693 363 H LEU 49 H LEU 49 -4.913 -1.087 -10.321 364 HA LEU 49 HA LEU 49 -2.689 -1.463 -8.593 365 HG LEU 49 HG LEU 49 -5.131 0.315 -6.541 366 HB2 LEU 49 HB2 LEU 49 -5.614 -1.220 -8.301 367 HB3 LEU 49 HB3 LEU 49 -4.802 -2.118 -7.032 368 HD11 LEU 49 HD11 LEU 49 -2.894 0.659 -5.649 369 HD12 LEU 49 HD12 LEU 49 -2.272 -0.631 -6.681 370 HD13 LEU 49 HD13 LEU 49 -3.426 -1.003 -5.399 371 HD21 LEU 49 HD21 LEU 49 -4.738 1.193 -8.787 372 HD22 LEU 49 HD22 LEU 49 -3.053 0.675 -8.700 373 HD23 LEU 49 HD23 LEU 49 -3.650 1.929 -7.611 374 H LYS 50 H LYS 50 -4.840 -3.628 -10.235 375 HA LYS 50 HA LYS 50 -4.506 -5.968 -8.762 376 HB2 LYS 50 HB2 LYS 50 -5.428 -5.262 -11.392 377 HB3 LYS 50 HB3 LYS 50 -4.430 -6.706 -11.487 378 HG2 LYS 50 HG2 LYS 50 -6.706 -7.360 -11.218 379 HG3 LYS 50 HG3 LYS 50 -5.836 -7.733 -9.728 380 HD2 LYS 50 HD2 LYS 50 -6.729 -5.712 -8.695 381 HD3 LYS 50 HD3 LYS 50 -7.564 -5.305 -10.195 382 HE2 LYS 50 HE2 LYS 50 -8.068 -7.693 -8.423 383 HE3 LYS 50 HE3 LYS 50 -9.138 -6.314 -8.681 384 HZ1 LYS 50 HZ1 LYS 50 -9.162 -6.997 -11.092 385 HZ2 LYS 50 HZ2 LYS 50 -9.959 -8.043 -10.022 386 HZ3 LYS 50 HZ3 LYS 50 -8.424 -8.450 -10.612 387 H GLU 51 H GLU 51 -2.483 -4.604 -11.308 388 HA GLU 51 HA GLU 51 -0.560 -6.652 -11.416 389 HB2 GLU 51 HB2 GLU 51 -0.236 -3.695 -11.971 390 HB3 GLU 51 HB3 GLU 51 0.890 -4.952 -12.462 391 HG2 GLU 51 HG2 GLU 51 -0.883 -5.953 -13.847 392 HG3 GLU 51 HG3 GLU 51 -1.947 -4.620 -13.405 393 H LEU 52 H LEU 52 -0.756 -3.674 -9.559 394 HA LEU 52 HA LEU 52 1.792 -3.831 -8.373 395 HG LEU 52 HG LEU 52 -0.048 -1.594 -9.593 396 HB2 LEU 52 HB2 LEU 52 -0.691 -2.434 -7.375 397 HB3 LEU 52 HB3 LEU 52 0.939 -2.150 -6.794 398 HD11 LEU 52 HD11 LEU 52 0.260 0.761 -8.970 399 HD12 LEU 52 HD12 LEU 52 0.626 0.263 -7.318 400 HD13 LEU 52 HD13 LEU 52 -0.975 -0.034 -7.995 401 HD21 LEU 52 HD21 LEU 52 2.625 -1.046 -8.308 402 HD22 LEU 52 HD22 LEU 52 2.121 -0.512 -9.912 403 HD23 LEU 52 HD23 LEU 52 2.300 -2.232 -9.571 404 H ALA 53 H ALA 53 -1.397 -4.925 -7.277 405 HA ALA 53 HA ALA 53 -0.651 -5.689 -4.680 406 HB1 ALA 53 HB1 ALA 53 -2.688 -7.021 -4.663 407 HB2 ALA 53 HB2 ALA 53 -2.811 -6.879 -6.416 408 HB3 ALA 53 HB3 ALA 53 -2.982 -5.446 -5.403 409 H ALA 54 H ALA 54 -0.649 -7.523 -7.720 410 HA ALA 54 HA ALA 54 0.050 -10.011 -6.580 411 HB1 ALA 54 HB1 ALA 54 0.568 -10.710 -8.847 412 HB2 ALA 54 HB2 ALA 54 0.560 -9.032 -9.387 413 HB3 ALA 54 HB3 ALA 54 -0.932 -9.784 -8.820 414 H ALA 55 H ALA 55 1.987 -7.439 -8.055 415 HA ALA 55 HA ALA 55 4.487 -8.726 -7.759 416 HB1 ALA 55 HB1 ALA 55 3.934 -5.765 -7.896 417 HB2 ALA 55 HB2 ALA 55 4.080 -6.834 -9.292 418 HB3 ALA 55 HB3 ALA 55 5.467 -6.571 -8.233 419 H ALA 56 H ALA 56 2.598 -6.625 -5.684 420 HA ALA 56 HA ALA 56 4.546 -6.123 -3.723 421 HB1 ALA 56 HB1 ALA 56 2.662 -5.525 -2.278 422 HB2 ALA 56 HB2 ALA 56 1.545 -6.242 -3.440 423 HB3 ALA 56 HB3 ALA 56 2.494 -4.824 -3.888 424 H SER 57 H SER 57 1.987 -8.606 -3.884 425 HA SER 57 HA SER 57 2.678 -9.854 -1.451 426 HG SER 57 HG SER 57 1.351 -11.602 -1.003 427 HB2 SER 57 HB2 SER 57 0.505 -10.164 -2.739 428 HB3 SER 57 HB3 SER 57 1.398 -11.235 -3.817 429 H SER 58 H SER 58 3.983 -10.003 -4.626 430 HA SER 58 HA SER 58 5.937 -10.836 -5.435 431 HG SER 58 HG SER 58 5.959 -9.336 -3.092 432 HB2 SER 58 HB2 SER 58 6.567 -11.695 -2.608 433 HB3 SER 58 HB3 SER 58 7.704 -11.384 -3.917 434 H ALA 59 H ALA 59 3.484 -12.587 -4.549 435 HA ALA 59 HA ALA 59 4.784 -15.209 -4.619 436 HB1 ALA 59 HB1 ALA 59 2.674 -16.098 -3.807 437 HB2 ALA 59 HB2 ALA 59 1.937 -14.500 -3.931 438 HB3 ALA 59 HB3 ALA 59 3.235 -14.783 -2.772 439 H ASP 60 H ASP 60 4.151 -13.292 -6.920 440 HA ASP 60 HA ASP 60 3.741 -13.506 -9.144 441 HB2 ASP 60 HB2 ASP 60 3.356 -16.454 -8.566 442 HB3 ASP 60 HB3 ASP 60 3.575 -15.734 -10.156 443 H GLU 61 H GLU 61 1.616 -16.022 -7.871 444 HA GLU 61 HA GLU 61 -0.651 -14.784 -9.255 445 HB2 GLU 61 HB2 GLU 61 -0.141 -17.131 -9.760 446 HB3 GLU 61 HB3 GLU 61 -0.295 -17.538 -8.058 447 HG2 GLU 61 HG2 GLU 61 -2.665 -16.883 -8.139 448 HG3 GLU 61 HG3 GLU 61 -2.490 -16.560 -9.865 449 H GLY 62 H GLY 62 0.677 -15.364 -6.156 450 HA2 GLY 62 HA2 GLY 62 -1.657 -15.475 -4.579 451 HA3 GLY 62 HA3 GLY 62 -0.059 -15.015 -4.015 452 H ALA 63 H ALA 63 -3.157 -13.991 -4.413 453 HA ALA 63 HA ALA 63 -2.656 -11.378 -3.475 454 HB1 ALA 63 HB1 ALA 63 -3.563 -11.556 -6.355 455 HB2 ALA 63 HB2 ALA 63 -1.989 -10.978 -5.808 456 HB3 ALA 63 HB3 ALA 63 -3.450 -10.083 -5.391 457 H SER 64 H SER 64 -4.357 -10.990 -2.229 458 HA SER 64 HA SER 64 -7.001 -11.944 -3.114 459 HG SER 64 HG SER 64 -5.921 -13.801 -0.233 460 HB2 SER 64 HB2 SER 64 -5.944 -11.634 -0.290 461 HB3 SER 64 HB3 SER 64 -7.602 -12.068 -0.704 462 H VAL 65 H VAL 65 -8.322 -10.332 -3.648 463 HA VAL 65 HA VAL 65 -8.120 -7.831 -2.133 464 HB VAL 65 HB VAL 65 -6.937 -7.356 -4.162 465 HG11 VAL 65 HG11 VAL 65 -7.754 -9.153 -5.569 466 HG12 VAL 65 HG12 VAL 65 -7.958 -7.603 -6.385 467 HG13 VAL 65 HG13 VAL 65 -9.347 -8.400 -5.645 468 HG21 VAL 65 HG21 VAL 65 -8.361 -5.572 -3.357 469 HG22 VAL 65 HG22 VAL 65 -9.725 -6.215 -4.275 470 HG23 VAL 65 HG23 VAL 65 -8.323 -5.562 -5.121 471 H ALA 66 H ALA 66 -9.968 -7.551 -1.143 472 HA ALA 66 HA ALA 66 -12.459 -8.234 -2.557 473 HB1 ALA 66 HB1 ALA 66 -12.011 -7.791 0.399 474 HB2 ALA 66 HB2 ALA 66 -12.192 -9.356 -0.392 475 HB3 ALA 66 HB3 ALA 66 -13.543 -8.222 -0.362 476 H TYR 67 H TYR 67 -12.852 -6.420 -3.744 477 HA TYR 67 HA TYR 67 -12.661 -3.858 -2.340 478 HD1 TYR 67 HD2 TYR 67 -11.604 -6.250 -5.552 479 HD2 TYR 67 HD1 TYR 67 -13.984 -2.799 -6.284 480 HE1 TYR 67 HE2 TYR 67 -12.323 -7.205 -7.702 481 HE2 TYR 67 HE1 TYR 67 -14.704 -3.745 -8.434 482 HH TYR 67 HH TYR 67 -13.925 -5.366 -10.085 483 HB2 TYR 67 HB2 TYR 67 -12.441 -2.788 -4.508 484 HB3 TYR 67 HB3 TYR 67 -11.238 -4.058 -4.338 485 H LYS 68 H LYS 68 -14.337 -2.598 -2.067 486 HA LYS 68 HA LYS 68 -16.902 -3.379 -3.277 487 HB2 LYS 68 HB2 LYS 68 -16.276 -1.964 -0.687 488 HB3 LYS 68 HB3 LYS 68 -17.891 -2.026 -1.374 489 HG2 LYS 68 HG2 LYS 68 -18.049 -4.342 -1.080 490 HG3 LYS 68 HG3 LYS 68 -16.314 -4.500 -0.811 491 HD2 LYS 68 HD2 LYS 68 -18.188 -3.007 1.020 492 HD3 LYS 68 HD3 LYS 68 -17.696 -4.685 1.263 493 HE2 LYS 68 HE2 LYS 68 -15.358 -3.974 1.409 494 HE3 LYS 68 HE3 LYS 68 -15.849 -2.299 1.157 495 HZ1 LYS 68 HZ1 LYS 68 -16.764 -3.975 3.433 496 HZ2 LYS 68 HZ2 LYS 68 -17.032 -2.316 3.219 497 HZ3 LYS 68 HZ3 LYS 68 -15.467 -2.884 3.519 498 H ILE 69 H ILE 69 -18.033 -1.890 -4.371 499 HA ILE 69 HA ILE 69 -16.816 0.780 -4.659 500 HB ILE 69 HB ILE 69 -18.281 -0.664 -6.868 501 HG12 ILE 69 HG12 ILE 69 -15.287 -0.365 -6.533 502 HG13 ILE 69 HG13 ILE 69 -16.176 -1.853 -6.224 503 HG21 ILE 69 HG21 ILE 69 -18.273 1.763 -7.014 504 HG22 ILE 69 HG22 ILE 69 -17.241 1.071 -8.267 505 HG23 ILE 69 HG23 ILE 69 -16.519 1.785 -6.825 506 HD11 ILE 69 HD11 ILE 69 -15.089 -1.852 -8.410 507 HD12 ILE 69 HD12 ILE 69 -16.032 -0.433 -8.868 508 HD13 ILE 69 HD13 ILE 69 -16.845 -1.964 -8.544 509 H LYS 70 H LYS 70 -18.147 2.127 -3.621 510 HA LYS 70 HA LYS 70 -21.018 1.527 -3.723 511 HB2 LYS 70 HB2 LYS 70 -19.827 1.816 -1.521 512 HB3 LYS 70 HB3 LYS 70 -19.655 3.515 -1.920 513 HG2 LYS 70 HG2 LYS 70 -21.538 3.293 -0.489 514 HG3 LYS 70 HG3 LYS 70 -22.150 3.623 -2.115 515 HD2 LYS 70 HD2 LYS 70 -22.630 1.271 -2.443 516 HD3 LYS 70 HD3 LYS 70 -21.916 0.879 -0.876 517 HE2 LYS 70 HE2 LYS 70 -23.641 2.277 0.212 518 HE3 LYS 70 HE3 LYS 70 -24.377 2.551 -1.367 519 HZ1 LYS 70 HZ1 LYS 70 -24.034 -0.097 -0.065 520 HZ2 LYS 70 HZ2 LYS 70 -24.780 0.182 -1.561 521 HZ3 LYS 70 HZ3 LYS 70 -25.483 0.778 -0.138 522 H ASP 71 H ASP 71 -22.121 2.528 -5.156 523 HA ASP 71 HA ASP 71 -21.244 4.936 -6.437 524 HB2 ASP 71 HB2 ASP 71 -23.764 3.288 -6.613 525 HB3 ASP 71 HB3 ASP 71 -23.598 4.820 -7.456 526 H LEU 72 H LEU 72 -21.241 6.738 -5.282 527 HA LEU 72 HA LEU 72 -23.289 7.121 -3.230 528 HG LEU 72 HG LEU 72 -20.246 6.333 -2.966 529 HB2 LEU 72 HB2 LEU 72 -20.733 8.656 -3.711 530 HB3 LEU 72 HB3 LEU 72 -21.806 8.842 -2.338 531 HD11 LEU 72 HD11 LEU 72 -18.840 6.974 -1.076 532 HD12 LEU 72 HD12 LEU 72 -19.742 8.480 -0.910 533 HD13 LEU 72 HD13 LEU 72 -18.777 8.186 -2.356 534 HD21 LEU 72 HD21 LEU 72 -20.903 5.671 -0.704 535 HD22 LEU 72 HD22 LEU 72 -22.307 5.903 -1.744 536 HD23 LEU 72 HD23 LEU 72 -21.875 7.135 -0.559 537 H GLU 73 H GLU 73 -23.308 9.777 -2.921 538 HA GLU 73 HA GLU 73 -24.765 10.663 -5.267 539 HB2 GLU 73 HB2 GLU 73 -25.323 12.611 -3.695 540 HB3 GLU 73 HB3 GLU 73 -25.956 11.024 -3.280 541 HG2 GLU 73 HG2 GLU 73 -23.939 10.761 -1.778 542 HG3 GLU 73 HG3 GLU 73 -23.648 12.479 -2.033 543 H GLY 74 H GLY 74 -23.399 11.334 -6.810 544 HA2 GLY 74 HA2 GLY 74 -22.332 13.161 -7.840 545 HA3 GLY 74 HA3 GLY 74 -21.931 13.794 -6.251 546 H GLN 75 H GLN 75 -21.083 10.762 -5.851 547 HA GLN 75 HA GLN 75 -18.591 10.683 -7.297 548 HB2 GLN 75 HB2 GLN 75 -17.167 10.718 -5.298 549 HB3 GLN 75 HB3 GLN 75 -18.025 12.241 -5.477 550 HG2 GLN 75 HG2 GLN 75 -19.650 11.521 -3.798 551 HG3 GLN 75 HG3 GLN 75 -18.782 10.000 -3.614 552 HE21 GLN 75 HE21 GLN 75 -16.788 9.988 -2.572 553 HE22 GLN 75 HE22 GLN 75 -16.260 11.307 -1.578 554 H VAL 76 H VAL 76 -17.235 8.777 -6.280 555 HA VAL 76 HA VAL 76 -18.997 6.743 -5.093 556 HB VAL 76 HB VAL 76 -17.947 4.990 -6.490 557 HG11 VAL 76 HG11 VAL 76 -19.155 5.502 -8.587 558 HG12 VAL 76 HG12 VAL 76 -19.383 7.156 -8.020 559 HG13 VAL 76 HG13 VAL 76 -20.119 5.816 -7.143 560 HG21 VAL 76 HG21 VAL 76 -16.785 7.306 -8.031 561 HG22 VAL 76 HG22 VAL 76 -16.715 5.610 -8.512 562 HG23 VAL 76 HG23 VAL 76 -15.881 6.150 -7.053 563 H GLU 77 H GLU 77 -17.868 5.144 -3.851 564 HA GLU 77 HA GLU 77 -15.100 5.915 -3.249 565 HB2 GLU 77 HB2 GLU 77 -15.353 5.016 -1.017 566 HB3 GLU 77 HB3 GLU 77 -16.593 6.223 -1.318 567 HG2 GLU 77 HG2 GLU 77 -18.189 4.421 -1.771 568 HG3 GLU 77 HG3 GLU 77 -16.948 3.243 -1.382 569 H LEU 78 H LEU 78 -13.612 4.590 -3.768 570 HA LEU 78 HA LEU 78 -14.243 1.802 -4.391 571 HG LEU 78 HG LEU 78 -11.446 1.655 -6.793 572 HB2 LEU 78 HB2 LEU 78 -12.963 3.239 -6.026 573 HB3 LEU 78 HB3 LEU 78 -11.664 3.321 -4.856 574 HD11 LEU 78 HD11 LEU 78 -10.302 0.009 -5.411 575 HD12 LEU 78 HD12 LEU 78 -11.097 0.656 -3.976 576 HD13 LEU 78 HD13 LEU 78 -9.950 1.651 -4.872 577 HD21 LEU 78 HD21 LEU 78 -13.678 0.708 -6.692 578 HD22 LEU 78 HD22 LEU 78 -13.370 0.118 -5.057 579 HD23 LEU 78 HD23 LEU 78 -12.462 -0.539 -6.418 580 H ASP 79 H ASP 79 -14.124 0.515 -2.721 581 HA ASP 79 HA ASP 79 -12.207 1.128 -0.562 582 HB2 ASP 79 HB2 ASP 79 -14.621 1.381 0.042 583 HB3 ASP 79 HB3 ASP 79 -14.863 -0.319 -0.342 584 H ALA 80 H ALA 80 -10.506 -0.187 -0.984 585 HA ALA 80 HA ALA 80 -11.110 -2.950 -1.803 586 HB1 ALA 80 HB1 ALA 80 -9.850 -1.670 -3.439 587 HB2 ALA 80 HB2 ALA 80 -8.875 -2.986 -2.784 588 HB3 ALA 80 HB3 ALA 80 -8.607 -1.331 -2.236 589 H ALA 81 H ALA 81 -10.786 -4.484 -0.385 590 HA ALA 81 HA ALA 81 -8.905 -4.101 1.817 591 HB1 ALA 81 HB1 ALA 81 -9.887 -6.136 2.749 592 HB2 ALA 81 HB2 ALA 81 -10.878 -6.329 1.303 593 HB3 ALA 81 HB3 ALA 81 -11.134 -4.948 2.370 594 H PHE 82 H PHE 82 -6.883 -4.437 1.074 595 HA PHE 82 HA PHE 82 -6.345 -6.673 -0.720 596 HD1 PHE 82 HD2 PHE 82 -4.876 -5.963 -2.985 597 HD2 PHE 82 HD1 PHE 82 -5.593 -2.579 -0.507 598 HE1 PHE 82 HE2 PHE 82 -5.445 -4.632 -4.976 599 HE2 PHE 82 HE1 PHE 82 -6.163 -1.241 -2.491 600 HZ PHE 82 HZ PHE 82 -6.089 -2.268 -4.730 601 HB2 PHE 82 HB2 PHE 82 -4.565 -4.488 0.385 602 HB3 PHE 82 HB3 PHE 82 -3.985 -5.786 -0.651 603 H THR 83 H THR 83 -5.893 -8.600 0.052 604 HA THR 83 HA THR 83 -4.946 -8.795 2.832 605 HB THR 83 HB THR 83 -6.340 -10.951 1.243 606 HG1 THR 83 HG1 THR 83 -7.351 -8.670 2.191 607 HG21 THR 83 HG21 THR 83 -5.063 -11.723 3.187 608 HG22 THR 83 HG22 THR 83 -6.795 -11.888 3.472 609 HG23 THR 83 HG23 THR 83 -5.907 -10.557 4.212 610 H PHE 84 H PHE 84 -2.807 -9.000 2.772 611 HA PHE 84 HA PHE 84 -1.576 -10.690 0.727 612 HD1 PHE 84 HD2 PHE 84 0.379 -9.235 -0.823 613 HD2 PHE 84 HD1 PHE 84 -1.537 -6.815 2.110 614 HE1 PHE 84 HE2 PHE 84 0.085 -7.453 -2.490 615 HE2 PHE 84 HE1 PHE 84 -1.833 -5.030 0.442 616 HZ PHE 84 HZ PHE 84 -1.021 -5.348 -1.861 617 HB2 PHE 84 HB2 PHE 84 -0.361 -8.794 2.748 618 HB3 PHE 84 HB3 PHE 84 0.559 -9.733 1.576 619 H SER 85 H SER 85 0.063 -12.254 1.398 620 HA SER 85 HA SER 85 -0.971 -13.779 3.631 621 HG SER 85 HG SER 85 -1.335 -14.265 1.239 622 HB2 SER 85 HB2 SER 85 1.217 -14.429 1.642 623 HB3 SER 85 HB3 SER 85 0.539 -15.554 2.818 624 H CYS 86 H CYS 86 1.560 -11.599 3.014 625 HA CYS 86 HA CYS 86 2.550 -12.049 5.744 626 HG CYS 86 HG CYS 86 4.151 -13.594 2.441 627 HB2 CYS 86 HB2 CYS 86 4.321 -11.205 3.445 628 HB3 CYS 86 HB3 CYS 86 4.819 -11.635 5.078 629 H GLN 87 H GLN 87 2.885 -10.158 6.910 630 HA GLN 87 HA GLN 87 1.546 -7.835 6.005 631 HB2 GLN 87 HB2 GLN 87 1.650 -8.264 8.363 632 HB3 GLN 87 HB3 GLN 87 3.408 -8.274 8.337 633 HG2 GLN 87 HG2 GLN 87 3.512 -5.951 7.976 634 HG3 GLN 87 HG3 GLN 87 1.794 -5.853 7.605 635 HE21 GLN 87 HE21 GLN 87 0.300 -5.970 9.294 636 HE22 GLN 87 HE22 GLN 87 0.764 -5.706 10.944 637 H ALA 88 H ALA 88 4.837 -8.910 5.847 638 HA ALA 88 HA ALA 88 6.170 -6.549 5.236 639 HB1 ALA 88 HB1 ALA 88 6.650 -9.290 4.068 640 HB2 ALA 88 HB2 ALA 88 7.307 -8.689 5.591 641 HB3 ALA 88 HB3 ALA 88 7.794 -7.949 4.065 642 H GLU 89 H GLU 89 4.317 -8.720 3.155 643 HA GLU 89 HA GLU 89 4.798 -7.389 0.703 644 HB2 GLU 89 HB2 GLU 89 2.321 -8.965 1.437 645 HB3 GLU 89 HB3 GLU 89 3.008 -8.736 -0.163 646 HG2 GLU 89 HG2 GLU 89 4.811 -10.181 0.296 647 HG3 GLU 89 HG3 GLU 89 4.456 -10.197 2.023 648 H MET 90 H MET 90 2.534 -6.919 3.310 649 HA MET 90 HA MET 90 0.725 -5.242 1.879 650 HB2 MET 90 HB2 MET 90 0.125 -6.567 3.910 651 HB3 MET 90 HB3 MET 90 1.120 -5.484 4.869 652 HG2 MET 90 HG2 MET 90 -1.148 -4.449 3.208 653 HG3 MET 90 HG3 MET 90 -1.419 -5.118 4.813 654 HE1 MET 90 HE1 MET 90 0.609 -2.680 7.089 655 HE2 MET 90 HE2 MET 90 1.137 -4.224 6.416 656 HE3 MET 90 HE3 MET 90 -0.503 -4.048 7.045 657 H ILE 91 H ILE 91 3.324 -4.607 4.242 658 HA ILE 91 HA ILE 91 2.926 -1.808 4.218 659 HB ILE 91 HB ILE 91 5.295 -1.760 5.201 660 HG12 ILE 91 HG12 ILE 91 4.758 -4.722 5.439 661 HG13 ILE 91 HG13 ILE 91 5.926 -4.017 4.333 662 HG21 ILE 91 HG21 ILE 91 3.323 -1.475 6.531 663 HG22 ILE 91 HG22 ILE 91 4.441 -2.542 7.381 664 HG23 ILE 91 HG23 ILE 91 3.039 -3.214 6.549 665 HD11 ILE 91 HD11 ILE 91 5.996 -3.869 7.335 666 HD12 ILE 91 HD12 ILE 91 7.157 -3.103 6.249 667 HD13 ILE 91 HD13 ILE 91 7.027 -4.862 6.304 668 H ILE 92 H ILE 92 5.121 -3.908 2.363 669 HA ILE 92 HA ILE 92 6.582 -1.780 1.210 670 HB ILE 92 HB ILE 92 7.337 -3.394 -0.476 671 HG12 ILE 92 HG12 ILE 92 6.525 -5.867 0.190 672 HG13 ILE 92 HG13 ILE 92 5.047 -4.972 0.532 673 HG21 ILE 92 HG21 ILE 92 8.440 -4.956 1.048 674 HG22 ILE 92 HG22 ILE 92 7.325 -4.472 2.327 675 HG23 ILE 92 HG23 ILE 92 8.460 -3.300 1.657 676 HD11 ILE 92 HD11 ILE 92 4.997 -5.841 -1.712 677 HD12 ILE 92 HD12 ILE 92 6.524 -5.047 -2.087 678 HD13 ILE 92 HD13 ILE 92 5.086 -4.080 -1.755 679 H PHE 93 H PHE 93 3.560 -3.308 0.449 680 HA PHE 93 HA PHE 93 3.142 -2.131 -2.097 681 HD1 PHE 93 HD2 PHE 93 1.542 -2.934 -3.740 682 HD2 PHE 93 HD1 PHE 93 -0.998 -2.502 -0.351 683 HE1 PHE 93 HE2 PHE 93 -0.343 -2.395 -5.224 684 HE2 PHE 93 HE1 PHE 93 -2.888 -1.966 -1.832 685 HZ PHE 93 HZ PHE 93 -2.561 -1.910 -4.271 686 HB2 PHE 93 HB2 PHE 93 1.886 -4.089 -1.306 687 HB3 PHE 93 HB3 PHE 93 1.168 -3.125 -0.024 688 H GLU 94 H GLU 94 2.007 -1.303 1.161 689 HA GLU 94 HA GLU 94 0.675 1.059 0.582 690 HB2 GLU 94 HB2 GLU 94 2.188 0.238 3.053 691 HB3 GLU 94 HB3 GLU 94 1.172 1.669 2.967 692 HG2 GLU 94 HG2 GLU 94 0.210 -1.135 2.467 693 HG3 GLU 94 HG3 GLU 94 0.069 -0.281 4.004 694 H LEU 95 H LEU 95 4.118 0.537 1.198 695 HA LEU 95 HA LEU 95 4.898 3.219 1.381 696 HG LEU 95 HG LEU 95 5.872 0.545 2.683 697 HB2 LEU 95 HB2 LEU 95 6.427 0.841 0.326 698 HB3 LEU 95 HB3 LEU 95 7.148 2.403 0.668 699 HD11 LEU 95 HD11 LEU 95 8.037 -0.227 1.899 700 HD12 LEU 95 HD12 LEU 95 8.147 0.350 3.563 701 HD13 LEU 95 HD13 LEU 95 8.741 1.354 2.240 702 HD21 LEU 95 HD21 LEU 95 5.494 2.894 3.265 703 HD22 LEU 95 HD22 LEU 95 7.223 3.212 3.103 704 HD23 LEU 95 HD23 LEU 95 6.637 2.130 4.367 705 H SER 96 H SER 96 4.904 1.087 -1.488 706 HA SER 96 HA SER 96 5.777 3.038 -3.292 707 HG SER 96 HG SER 96 6.779 0.937 -3.409 708 HB2 SER 96 HB2 SER 96 4.012 0.649 -3.872 709 HB3 SER 96 HB3 SER 96 5.010 1.523 -5.036 710 H LEU 97 H LEU 97 2.551 2.223 -2.133 711 HA LEU 97 HA LEU 97 1.064 3.786 -3.946 712 HG LEU 97 HG LEU 97 0.619 1.059 -2.262 713 HB2 LEU 97 HB2 LEU 97 0.433 3.152 -1.063 714 HB3 LEU 97 HB3 LEU 97 -0.707 3.769 -2.240 715 HD11 LEU 97 HD11 LEU 97 -2.245 1.919 -1.876 716 HD12 LEU 97 HD12 LEU 97 -1.168 1.274 -0.636 717 HD13 LEU 97 HD13 LEU 97 -1.679 0.251 -1.980 718 HD21 LEU 97 HD21 LEU 97 0.392 1.903 -4.540 719 HD22 LEU 97 HD22 LEU 97 -1.307 2.273 -4.246 720 HD23 LEU 97 HD23 LEU 97 -0.754 0.598 -4.236 721 H ARG 98 H ARG 98 2.609 4.553 -0.877 722 HA ARG 98 HA ARG 98 1.567 7.183 -0.641 723 HE ARG 98 HE ARG 98 2.130 5.446 4.849 724 HB2 ARG 98 HB2 ARG 98 3.918 5.775 0.610 725 HB3 ARG 98 HB3 ARG 98 3.530 7.452 0.974 726 HG2 ARG 98 HG2 ARG 98 1.606 6.906 2.099 727 HG3 ARG 98 HG3 ARG 98 1.416 5.369 1.252 728 HD2 ARG 98 HD2 ARG 98 3.225 4.397 2.494 729 HD3 ARG 98 HD3 ARG 98 3.624 5.950 3.221 730 HH11 ARG 98 HH11 ARG 98 1.038 3.818 1.936 731 HH12 ARG 98 HH12 ARG 98 -0.310 3.044 2.724 732 HH21 ARG 98 HH21 ARG 98 0.368 4.472 5.862 733 HH22 ARG 98 HH22 ARG 98 -0.696 3.426 4.962 734 H SER 99 H SER 99 4.581 5.878 -1.974 735 HA SER 99 HA SER 99 5.761 8.355 -2.605 736 HG SER 99 HG SER 99 7.440 5.178 -2.412 737 HB2 SER 99 HB2 SER 99 6.109 5.686 -3.992 738 HB3 SER 99 HB3 SER 99 7.203 7.065 -4.111 739 H LEU 100 H LEU 100 3.445 6.335 -4.312 740 HA LEU 100 HA LEU 100 3.559 7.819 -6.758 741 HG LEU 100 HG LEU 100 0.683 7.235 -7.724 742 HB2 LEU 100 HB2 LEU 100 2.851 5.450 -6.611 743 HB3 LEU 100 HB3 LEU 100 1.416 5.950 -5.739 744 HD11 LEU 100 HD11 LEU 100 3.074 5.957 -9.045 745 HD12 LEU 100 HD12 LEU 100 2.863 7.676 -8.714 746 HD13 LEU 100 HD13 LEU 100 1.805 6.864 -9.868 747 HD21 LEU 100 HD21 LEU 100 0.077 5.302 -9.092 748 HD22 LEU 100 HD22 LEU 100 -0.125 4.966 -7.373 749 HD23 LEU 100 HD23 LEU 100 1.269 4.321 -8.239 750 H ALA 101 H ALA 101 2.013 8.249 -3.737 751 HA ALA 101 HA ALA 101 -0.075 9.975 -4.780 752 HB1 ALA 101 HB1 ALA 101 0.697 9.384 -1.924 753 HB2 ALA 101 HB2 ALA 101 -0.527 8.523 -2.854 754 HB3 ALA 101 HB3 ALA 101 -0.758 10.226 -2.460 755 H LEU 102 H LEU 102 3.100 10.378 -4.525 756 HA LEU 102 HA LEU 102 3.076 13.008 -3.273 757 HG LEU 102 HG LEU 102 4.553 10.435 -2.331 758 HB2 LEU 102 HB2 LEU 102 5.336 11.391 -4.451 759 HB3 LEU 102 HB3 LEU 102 5.527 12.954 -3.680 760 HD11 LEU 102 HD11 LEU 102 6.922 10.348 -2.862 761 HD12 LEU 102 HD12 LEU 102 6.679 10.541 -1.125 762 HD13 LEU 102 HD13 LEU 102 7.164 11.924 -2.106 763 HD21 LEU 102 HD21 LEU 102 5.137 13.162 -1.182 764 HD22 LEU 102 HD22 LEU 102 4.680 11.723 -0.268 765 HD23 LEU 102 HD23 LEU 102 3.535 12.454 -1.394 766 H GLU 103 H GLU 103 3.072 11.587 -6.434 767 HA GLU 103 HA GLU 103 3.950 14.039 -7.691 768 HB2 GLU 103 HB2 GLU 103 3.514 12.756 -9.833 769 HB3 GLU 103 HB3 GLU 103 4.776 12.137 -8.784 770 HG2 GLU 103 HG2 GLU 103 3.746 10.192 -9.287 771 HG3 GLU 103 HG3 GLU 103 2.778 10.646 -7.888 772 H HIS 104 H HIS 104 0.934 12.298 -7.189 773 HA HIS 104 HA HIS 104 -0.426 14.773 -8.032 774 HD1 HIS 104 HD1 HIS 104 0.062 11.868 -10.513 775 HD2 HIS 104 HD2 HIS 104 -2.830 14.853 -10.335 776 HE1 HIS 104 HE1 HIS 104 -0.164 12.739 -12.866 777 HE2 HIS 104 HE2 HIS 104 -2.079 14.375 -12.763 778 HB2 HIS 104 HB2 HIS 104 -1.281 11.914 -8.310 779 HB3 HIS 104 HB3 HIS 104 -2.502 13.169 -8.124 780 H HIS 105 H HIS 105 -0.281 15.775 -6.099 781 HA HIS 105 HA HIS 105 -1.912 14.657 -3.931 782 HD1 HIS 105 HD1 HIS 105 0.319 17.384 -1.579 783 HD2 HIS 105 HD2 HIS 105 -0.899 13.439 -1.056 784 HE1 HIS 105 HE1 HIS 105 -0.243 17.166 0.862 785 HE2 HIS 105 HE2 HIS 105 -0.693 14.708 1.194 786 HB2 HIS 105 HB2 HIS 105 0.465 14.160 -3.429 787 HB3 HIS 105 HB3 HIS 105 0.846 15.869 -3.580 788 H HIS 106 H HIS 106 -3.551 16.181 -4.361 789 HA HIS 106 HA HIS 106 -3.082 18.967 -4.304 790 HD1 HIS 106 HD1 HIS 106 -7.573 18.353 -2.739 791 HD2 HIS 106 HD2 HIS 106 -4.856 15.296 -3.497 792 HE1 HIS 106 HE1 HIS 106 -8.589 16.274 -1.750 793 HE2 HIS 106 HE2 HIS 106 -7.052 14.407 -2.454 794 HB2 HIS 106 HB2 HIS 106 -5.475 19.202 -3.734 795 HB3 HIS 106 HB3 HIS 106 -5.223 18.118 -5.091 796 H HIS 107 H HIS 107 -3.239 20.445 -2.567 797 HA HIS 107 HA HIS 107 -1.574 19.741 -0.486 798 HD1 HIS 107 HD1 HIS 107 -2.816 22.339 2.305 799 HD2 HIS 107 HD2 HIS 107 0.379 22.220 -0.359 800 HE1 HIS 107 HE1 HIS 107 -0.811 23.102 3.611 801 HE2 HIS 107 HE2 HIS 107 1.136 22.837 2.041 802 HB2 HIS 107 HB2 HIS 107 -2.282 22.086 -1.366 803 HB3 HIS 107 HB3 HIS 107 -3.532 21.985 -0.131 804 H HIS 108 H HIS 108 -5.118 20.101 -0.347 805 HA HIS 108 HA HIS 108 -5.222 18.002 1.635 806 HD1 HIS 108 HD1 HIS 108 -8.093 20.433 4.121 807 HD2 HIS 108 HD2 HIS 108 -5.338 17.313 4.175 808 HE1 HIS 108 HE1 HIS 108 -8.837 18.896 5.976 809 HE2 HIS 108 HE2 HIS 108 -7.127 17.037 6.026 810 HB2 HIS 108 HB2 HIS 108 -4.821 20.121 2.955 811 HB3 HIS 108 HB3 HIS 108 -6.378 20.698 2.370 812 H HIS 109 H HIS 109 -7.232 20.683 0.415 813 HA HIS 109 HA HIS 109 -8.986 18.658 -0.803 814 HD1 HIS 109 HD1 HIS 109 -12.026 18.286 -0.010 815 HD2 HIS 109 HD2 HIS 109 -9.592 19.706 3.048 816 HE1 HIS 109 HE1 HIS 109 -12.663 16.966 2.035 817 HE2 HIS 109 HE2 HIS 109 -11.000 17.670 3.794 818 HB2 HIS 109 HB2 HIS 109 -9.762 21.176 0.657 819 HB3 HIS 109 HB3 HIS 109 -10.811 20.484 -0.573 Start of MODEL 11 1 HA MET 1 HA MET 1 28.720 15.419 28.386 2 H1 MET 1 H1 MET 1 29.232 15.457 30.663 3 H2 MET 1 H2 MET 1 27.851 16.426 30.461 4 H3 MET 1 H3 MET 1 29.370 17.147 30.691 5 HB2 MET 1 HB2 MET 1 27.289 17.383 28.287 6 HB3 MET 1 HB3 MET 1 28.659 18.439 28.599 7 HG2 MET 1 HG2 MET 1 28.003 18.453 26.247 8 HG3 MET 1 HG3 MET 1 29.645 17.854 26.474 9 HE1 MET 1 HE1 MET 1 29.574 16.895 23.961 10 HE2 MET 1 HE2 MET 1 27.934 17.527 23.811 11 HE3 MET 1 HE3 MET 1 28.279 15.856 23.367 12 H ALA 2 H ALA 2 30.683 14.454 28.238 13 HA ALA 2 HA ALA 2 32.910 16.180 27.491 14 HB1 ALA 2 HB1 ALA 2 33.159 14.101 29.662 15 HB2 ALA 2 HB2 ALA 2 33.211 15.849 29.896 16 HB3 ALA 2 HB3 ALA 2 34.481 15.043 28.974 17 H MET 3 H MET 3 32.882 15.423 25.431 18 HA MET 3 HA MET 3 34.019 12.810 25.023 19 HB2 MET 3 HB2 MET 3 32.287 12.060 23.416 20 HB3 MET 3 HB3 MET 3 31.687 12.175 25.061 21 HG2 MET 3 HG2 MET 3 30.669 14.353 24.493 22 HG3 MET 3 HG3 MET 3 31.194 14.128 22.826 23 HE1 MET 3 HE1 MET 3 30.340 12.026 21.306 24 HE2 MET 3 HE2 MET 3 29.196 10.824 21.906 25 HE3 MET 3 HE3 MET 3 30.809 10.935 22.609 26 H LYS 4 H LYS 4 35.657 13.276 23.791 27 HA LYS 4 HA LYS 4 35.607 15.614 22.080 28 HB2 LYS 4 HB2 LYS 4 37.546 15.084 23.530 29 HB3 LYS 4 HB3 LYS 4 37.822 13.621 22.599 30 HG2 LYS 4 HG2 LYS 4 39.354 15.378 21.933 31 HG3 LYS 4 HG3 LYS 4 38.259 14.966 20.609 32 HD2 LYS 4 HD2 LYS 4 36.889 16.907 21.115 33 HD3 LYS 4 HD3 LYS 4 37.927 17.303 22.487 34 HE2 LYS 4 HE2 LYS 4 39.812 17.628 20.962 35 HE3 LYS 4 HE3 LYS 4 38.775 17.226 19.592 36 HZ1 LYS 4 HZ1 LYS 4 37.454 19.152 20.006 37 HZ2 LYS 4 HZ2 LYS 4 39.080 19.642 19.950 38 HZ3 LYS 4 HZ3 LYS 4 38.287 19.490 21.444 39 H ASP 5 H ASP 5 35.448 12.167 21.774 40 HA ASP 5 HA ASP 5 35.526 12.421 18.842 41 HB2 ASP 5 HB2 ASP 5 37.543 11.301 19.663 42 HB3 ASP 5 HB3 ASP 5 36.559 10.141 20.547 43 H VAL 6 H VAL 6 33.605 12.053 18.008 44 HA VAL 6 HA VAL 6 31.691 10.363 19.425 45 HB VAL 6 HB VAL 6 30.034 11.135 17.780 46 HG11 VAL 6 HG11 VAL 6 31.617 13.369 19.042 47 HG12 VAL 6 HG12 VAL 6 30.360 12.411 19.822 48 HG13 VAL 6 HG13 VAL 6 29.949 13.480 18.482 49 HG21 VAL 6 HG21 VAL 6 30.579 12.892 16.175 50 HG22 VAL 6 HG22 VAL 6 31.503 11.427 15.846 51 HG23 VAL 6 HG23 VAL 6 32.279 12.800 16.636 52 H VAL 7 H VAL 7 31.087 8.381 18.789 53 HA VAL 7 HA VAL 7 32.529 7.251 16.494 54 HB VAL 7 HB VAL 7 31.200 5.802 18.796 55 HG11 VAL 7 HG11 VAL 7 31.271 4.440 16.799 56 HG12 VAL 7 HG12 VAL 7 32.457 3.848 17.964 57 HG13 VAL 7 HG13 VAL 7 32.982 4.802 16.575 58 HG21 VAL 7 HG21 VAL 7 34.120 6.360 18.287 59 HG22 VAL 7 HG22 VAL 7 33.469 5.369 19.593 60 HG23 VAL 7 HG23 VAL 7 33.124 7.099 19.539 61 H ASP 8 H ASP 8 31.455 6.850 14.716 62 HA ASP 8 HA ASP 8 28.848 5.633 14.735 63 HB2 ASP 8 HB2 ASP 8 28.206 8.017 14.897 64 HB3 ASP 8 HB3 ASP 8 29.182 8.375 13.476 65 H LYS 9 H LYS 9 28.952 4.130 13.282 66 HA LYS 9 HA LYS 9 31.033 4.331 11.245 67 HB2 LYS 9 HB2 LYS 9 29.382 1.939 12.061 68 HB3 LYS 9 HB3 LYS 9 30.797 1.940 11.029 69 HG2 LYS 9 HG2 LYS 9 32.134 2.764 12.965 70 HG3 LYS 9 HG3 LYS 9 30.700 2.539 13.969 71 HD2 LYS 9 HD2 LYS 9 32.034 0.587 14.225 72 HD3 LYS 9 HD3 LYS 9 30.667 0.141 13.197 73 HE2 LYS 9 HE2 LYS 9 32.187 0.623 11.227 74 HE3 LYS 9 HE3 LYS 9 33.513 0.691 12.389 75 HZ1 LYS 9 HZ1 LYS 9 32.685 -1.600 13.102 76 HZ2 LYS 9 HZ2 LYS 9 33.519 -1.484 11.632 77 HZ3 LYS 9 HZ3 LYS 9 31.827 -1.614 11.638 78 H CYS 10 H CYS 10 30.425 5.097 9.357 79 HA CYS 10 HA CYS 10 27.684 4.571 8.445 80 HG CYS 10 HG CYS 10 30.116 8.152 9.048 81 HB2 CYS 10 HB2 CYS 10 28.076 6.628 6.994 82 HB3 CYS 10 HB3 CYS 10 27.902 6.900 8.724 83 H SER 11 H SER 11 28.230 2.577 7.483 84 HA SER 11 HA SER 11 30.017 2.565 5.216 85 HG SER 11 HG SER 11 30.425 0.057 4.716 86 HB2 SER 11 HB2 SER 11 29.504 0.534 6.655 87 HB3 SER 11 HB3 SER 11 27.902 0.511 5.922 88 H THR 12 H THR 12 29.380 2.727 3.033 89 HA THR 12 HA THR 12 27.045 4.369 2.735 90 HB THR 12 HB THR 12 28.926 3.416 0.573 91 HG1 THR 12 HG1 THR 12 29.495 4.928 2.632 92 HG21 THR 12 HG21 THR 12 28.157 5.396 -0.637 93 HG22 THR 12 HG22 THR 12 27.073 5.805 0.692 94 HG23 THR 12 HG23 THR 12 26.798 4.339 -0.252 95 H LYS 13 H LYS 13 25.396 2.869 3.239 96 HA LYS 13 HA LYS 13 24.290 1.830 0.815 97 HB2 LYS 13 HB2 LYS 13 23.758 -0.417 1.721 98 HB3 LYS 13 HB3 LYS 13 25.473 -0.168 1.447 99 HG2 LYS 13 HG2 LYS 13 25.883 0.074 3.787 100 HG3 LYS 13 HG3 LYS 13 24.154 0.089 4.139 101 HD2 LYS 13 HD2 LYS 13 25.702 -2.223 2.975 102 HD3 LYS 13 HD3 LYS 13 25.151 -2.086 4.646 103 HE2 LYS 13 HE2 LYS 13 22.840 -2.084 3.921 104 HE3 LYS 13 HE3 LYS 13 23.340 -2.096 2.231 105 HZ1 LYS 13 HZ1 LYS 13 24.385 -4.266 2.625 106 HZ2 LYS 13 HZ2 LYS 13 22.713 -4.300 2.914 107 HZ3 LYS 13 HZ3 LYS 13 23.796 -4.256 4.219 108 H GLY 14 H GLY 14 22.667 3.250 1.013 109 HA2 GLY 14 HA2 GLY 14 20.931 2.979 3.389 110 HA3 GLY 14 HA3 GLY 14 20.969 4.377 2.321 111 H CYS 15 H CYS 15 20.634 0.866 1.867 112 HA CYS 15 HA CYS 15 18.707 1.334 -0.243 113 HG CYS 15 HG CYS 15 21.189 0.921 -1.171 114 HB2 CYS 15 HB2 CYS 15 19.780 -1.266 0.865 115 HB3 CYS 15 HB3 CYS 15 18.815 -1.088 -0.598 116 H ALA 16 H ALA 16 17.103 2.302 1.098 117 HA ALA 16 HA ALA 16 15.332 0.294 2.268 118 HB1 ALA 16 HB1 ALA 16 16.602 1.240 4.145 119 HB2 ALA 16 HB2 ALA 16 14.892 1.666 4.230 120 HB3 ALA 16 HB3 ALA 16 16.071 2.856 3.681 121 H ILE 17 H ILE 17 13.725 0.466 0.819 122 HA ILE 17 HA ILE 17 12.830 3.044 -0.113 123 HB ILE 17 HB ILE 17 12.698 1.270 -1.707 124 HG12 ILE 17 HG12 ILE 17 10.273 1.282 -2.289 125 HG13 ILE 17 HG13 ILE 17 9.937 2.013 -0.723 126 HG21 ILE 17 HG21 ILE 17 12.599 -0.632 -0.224 127 HG22 ILE 17 HG22 ILE 17 11.282 -0.713 -1.395 128 HG23 ILE 17 HG23 ILE 17 10.960 -0.202 0.263 129 HD11 ILE 17 HD11 ILE 17 11.604 3.216 -2.921 130 HD12 ILE 17 HD12 ILE 17 11.299 3.946 -1.344 131 HD13 ILE 17 HD13 ILE 17 9.965 3.684 -2.468 132 H ASP 18 H ASP 18 11.575 4.302 1.028 133 HA ASP 18 HA ASP 18 9.325 3.317 2.511 134 HB2 ASP 18 HB2 ASP 18 11.021 2.805 4.137 135 HB3 ASP 18 HB3 ASP 18 11.738 4.402 3.962 136 H ILE 19 H ILE 19 7.814 4.827 2.719 137 HA ILE 19 HA ILE 19 8.439 7.531 1.784 138 HB ILE 19 HB ILE 19 5.740 6.197 2.122 139 HG12 ILE 19 HG12 ILE 19 7.086 5.100 0.391 140 HG13 ILE 19 HG13 ILE 19 5.740 5.981 -0.323 141 HG21 ILE 19 HG21 ILE 19 6.474 8.760 0.713 142 HG22 ILE 19 HG22 ILE 19 5.635 8.640 2.259 143 HG23 ILE 19 HG23 ILE 19 4.866 8.041 0.789 144 HD11 ILE 19 HD11 ILE 19 8.612 6.876 -0.224 145 HD12 ILE 19 HD12 ILE 19 7.276 7.811 -0.893 146 HD13 ILE 19 HD13 ILE 19 7.740 6.283 -1.638 147 H GLY 20 H GLY 20 7.937 5.783 4.612 148 HA2 GLY 20 HA2 GLY 20 8.196 6.881 6.736 149 HA3 GLY 20 HA3 GLY 20 7.344 8.271 6.080 150 H THR 21 H THR 21 5.878 5.429 5.105 151 HA THR 21 HA THR 21 3.654 5.825 6.897 152 HB THR 21 HB THR 21 3.992 3.554 4.951 153 HG1 THR 21 HG1 THR 21 3.216 6.253 4.493 154 HG21 THR 21 HG21 THR 21 2.105 3.441 6.541 155 HG22 THR 21 HG22 THR 21 1.561 3.608 4.871 156 HG23 THR 21 HG23 THR 21 1.539 5.004 5.950 157 H VAL 22 H VAL 22 4.063 5.180 8.930 158 HA VAL 22 HA VAL 22 5.484 2.643 9.308 159 HB VAL 22 HB VAL 22 6.656 4.496 10.318 160 HG11 VAL 22 HG11 VAL 22 4.835 6.060 10.624 161 HG12 VAL 22 HG12 VAL 22 5.680 5.813 12.152 162 HG13 VAL 22 HG13 VAL 22 4.126 5.030 11.867 163 HG21 VAL 22 HG21 VAL 22 5.319 2.774 12.404 164 HG22 VAL 22 HG22 VAL 22 6.800 3.704 12.642 165 HG23 VAL 22 HG23 VAL 22 6.769 2.371 11.485 166 H ILE 23 H ILE 23 4.424 0.973 9.987 167 HA ILE 23 HA ILE 23 2.176 1.336 11.838 168 HB ILE 23 HB ILE 23 1.133 0.839 9.723 169 HG12 ILE 23 HG12 ILE 23 1.232 -1.679 11.397 170 HG13 ILE 23 HG13 ILE 23 0.203 -0.285 11.714 171 HG21 ILE 23 HG21 ILE 23 3.022 -0.080 8.532 172 HG22 ILE 23 HG22 ILE 23 1.651 -1.186 8.437 173 HG23 ILE 23 HG23 ILE 23 2.986 -1.527 9.538 174 HD11 ILE 23 HD11 ILE 23 0.081 -2.047 9.274 175 HD12 ILE 23 HD12 ILE 23 -0.963 -0.666 9.609 176 HD13 ILE 23 HD13 ILE 23 -1.029 -2.092 10.644 177 H ASP 24 H ASP 24 2.323 0.070 13.607 178 HA ASP 24 HA ASP 24 4.812 -1.186 14.108 179 HB2 ASP 24 HB2 ASP 24 3.368 -0.044 15.830 180 HB3 ASP 24 HB3 ASP 24 2.304 -1.447 15.772 181 H ASN 25 H ASN 25 1.704 -2.737 14.737 182 HA ASN 25 HA ASN 25 2.170 -4.860 12.882 183 HB2 ASN 25 HB2 ASN 25 2.644 -6.643 14.306 184 HB3 ASN 25 HB3 ASN 25 3.630 -5.357 14.993 185 HD21 ASN 25 HD21 ASN 25 2.878 -4.296 16.891 186 HD22 ASN 25 HD22 ASN 25 1.783 -5.114 17.951 187 H ASP 26 H ASP 26 0.347 -6.007 12.522 188 HA ASP 26 HA ASP 26 -2.081 -5.621 13.993 189 HB2 ASP 26 HB2 ASP 26 -1.594 -4.107 11.413 190 HB3 ASP 26 HB3 ASP 26 -3.216 -4.526 11.945 191 H ASN 27 H ASN 27 -3.660 -5.934 11.512 192 HA ASN 27 HA ASN 27 -3.107 -8.708 10.919 193 HB2 ASN 27 HB2 ASN 27 -5.171 -8.481 9.454 194 HB3 ASN 27 HB3 ASN 27 -5.427 -8.234 11.174 195 HD21 ASN 27 HD21 ASN 27 -3.960 -5.793 9.112 196 HD22 ASN 27 HD22 ASN 27 -5.302 -4.700 9.153 197 H CYS 28 H CYS 28 -3.478 -9.201 8.427 198 HA CYS 28 HA CYS 28 -1.416 -7.615 7.058 199 HG CYS 28 HG CYS 28 -0.602 -11.619 7.981 200 HB2 CYS 28 HB2 CYS 28 -2.348 -10.438 6.504 201 HB3 CYS 28 HB3 CYS 28 -1.047 -9.600 5.664 202 H THR 29 H THR 29 -4.514 -7.431 7.269 203 HA THR 29 HA THR 29 -5.063 -7.271 4.394 204 HB THR 29 HB THR 29 -7.033 -7.149 6.688 205 HG1 THR 29 HG1 THR 29 -5.945 -9.226 6.377 206 HG21 THR 29 HG21 THR 29 -8.720 -7.509 4.944 207 HG22 THR 29 HG22 THR 29 -7.460 -7.477 3.711 208 HG23 THR 29 HG23 THR 29 -7.812 -6.026 4.650 209 H SER 30 H SER 30 -4.936 -5.321 3.491 210 HA SER 30 HA SER 30 -5.037 -2.960 5.217 211 HG SER 30 HG SER 30 -3.226 -1.121 2.800 212 HB2 SER 30 HB2 SER 30 -3.089 -3.187 3.717 213 HB3 SER 30 HB3 SER 30 -4.170 -3.224 2.325 214 H LYS 31 H LYS 31 -6.779 -1.749 5.301 215 HA LYS 31 HA LYS 31 -8.810 -1.947 3.185 216 HB2 LYS 31 HB2 LYS 31 -8.862 -1.049 6.044 217 HB3 LYS 31 HB3 LYS 31 -10.063 -0.424 4.933 218 HG2 LYS 31 HG2 LYS 31 -10.940 -2.295 6.179 219 HG3 LYS 31 HG3 LYS 31 -10.820 -2.692 4.468 220 HD2 LYS 31 HD2 LYS 31 -9.042 -4.146 4.806 221 HD3 LYS 31 HD3 LYS 31 -8.627 -3.428 6.363 222 HE2 LYS 31 HE2 LYS 31 -9.694 -5.652 6.578 223 HE3 LYS 31 HE3 LYS 31 -10.601 -4.371 7.378 224 HZ1 LYS 31 HZ1 LYS 31 -11.224 -5.624 4.760 225 HZ2 LYS 31 HZ2 LYS 31 -12.049 -4.279 5.384 226 HZ3 LYS 31 HZ3 LYS 31 -12.110 -5.769 6.194 227 H PHE 32 H PHE 32 -8.551 -0.520 1.634 228 HA PHE 32 HA PHE 32 -7.724 2.216 2.355 229 HD1 PHE 32 HD1 PHE 32 -5.597 3.554 1.626 230 HD2 PHE 32 HD2 PHE 32 -7.349 2.164 -1.991 231 HE1 PHE 32 HE1 PHE 32 -5.018 5.684 0.534 232 HE2 PHE 32 HE2 PHE 32 -6.776 4.287 -3.088 233 HZ PHE 32 HZ PHE 32 -5.610 6.053 -1.828 234 HB2 PHE 32 HB2 PHE 32 -5.979 1.059 1.067 235 HB3 PHE 32 HB3 PHE 32 -7.139 0.710 -0.209 236 H SER 33 H SER 33 -9.305 3.622 2.102 237 HA SER 33 HA SER 33 -11.384 3.066 0.085 238 HG SER 33 HG SER 33 -12.546 2.080 2.370 239 HB2 SER 33 HB2 SER 33 -11.757 4.809 2.524 240 HB3 SER 33 HB3 SER 33 -12.997 4.080 1.502 241 H ARG 34 H ARG 34 -11.144 4.362 -1.634 242 HA ARG 34 HA ARG 34 -10.292 7.150 -1.159 243 HE ARG 34 HE ARG 34 -7.549 9.705 -3.706 244 HB2 ARG 34 HB2 ARG 34 -8.706 5.426 -2.391 245 HB3 ARG 34 HB3 ARG 34 -9.717 5.812 -3.769 246 HG2 ARG 34 HG2 ARG 34 -8.305 7.901 -2.133 247 HG3 ARG 34 HG3 ARG 34 -7.568 7.115 -3.527 248 HD2 ARG 34 HD2 ARG 34 -9.444 7.917 -4.920 249 HD3 ARG 34 HD3 ARG 34 -10.093 8.765 -3.517 250 HH11 ARG 34 HH11 ARG 34 -10.240 9.542 -5.943 251 HH12 ARG 34 HH12 ARG 34 -9.719 10.916 -6.871 252 HH21 ARG 34 HH21 ARG 34 -6.889 11.513 -4.877 253 HH22 ARG 34 HH22 ARG 34 -7.803 12.043 -6.255 254 H PHE 35 H PHE 35 -11.491 8.681 -2.070 255 HA PHE 35 HA PHE 35 -13.975 7.808 -3.342 256 HD1 PHE 35 HD1 PHE 35 -15.992 8.275 -1.605 257 HD2 PHE 35 HD2 PHE 35 -12.549 10.300 -0.139 258 HE1 PHE 35 HE1 PHE 35 -16.572 7.599 0.687 259 HE2 PHE 35 HE2 PHE 35 -13.125 9.627 2.154 260 HZ PHE 35 HZ PHE 35 -15.137 8.272 2.571 261 HB2 PHE 35 HB2 PHE 35 -13.176 10.558 -2.363 262 HB3 PHE 35 HB3 PHE 35 -14.778 10.079 -2.910 263 H PHE 36 H PHE 36 -14.408 8.083 -5.424 264 HA PHE 36 HA PHE 36 -12.570 9.761 -7.005 265 HD1 PHE 36 HD1 PHE 36 -10.670 8.600 -8.941 266 HD2 PHE 36 HD2 PHE 36 -12.344 5.882 -6.131 267 HE1 PHE 36 HE1 PHE 36 -8.428 7.708 -8.476 268 HE2 PHE 36 HE2 PHE 36 -10.102 4.986 -5.656 269 HZ PHE 36 HZ PHE 36 -8.140 5.902 -6.828 270 HB2 PHE 36 HB2 PHE 36 -13.733 7.060 -7.687 271 HB3 PHE 36 HB3 PHE 36 -13.045 8.129 -8.903 272 H ALA 37 H ALA 37 -13.559 10.344 -9.178 273 HA ALA 37 HA ALA 37 -16.007 11.694 -8.711 274 HB1 ALA 37 HB1 ALA 37 -15.825 12.432 -11.026 275 HB2 ALA 37 HB2 ALA 37 -14.545 11.253 -11.313 276 HB3 ALA 37 HB3 ALA 37 -14.280 12.587 -10.191 277 H THR 38 H THR 38 -15.194 9.079 -11.006 278 HA THR 38 HA THR 38 -18.045 8.342 -10.974 279 HB THR 38 HB THR 38 -17.696 7.466 -13.287 280 HG1 THR 38 HG1 THR 38 -15.766 8.622 -14.316 281 HG21 THR 38 HG21 THR 38 -17.200 10.424 -12.908 282 HG22 THR 38 HG22 THR 38 -18.772 9.626 -12.932 283 HG23 THR 38 HG23 THR 38 -17.780 9.662 -14.388 284 H ARG 39 H ARG 39 -18.459 6.063 -11.560 285 HA ARG 39 HA ARG 39 -16.908 4.269 -10.005 286 HE ARG 39 HE ARG 39 -21.344 3.709 -10.937 287 HB2 ARG 39 HB2 ARG 39 -18.381 2.549 -10.828 288 HB3 ARG 39 HB3 ARG 39 -19.333 3.984 -10.489 289 HG2 ARG 39 HG2 ARG 39 -19.277 4.537 -12.901 290 HG3 ARG 39 HG3 ARG 39 -18.433 3.017 -13.193 291 HD2 ARG 39 HD2 ARG 39 -20.766 2.718 -13.657 292 HD3 ARG 39 HD3 ARG 39 -20.348 1.810 -12.206 293 HH11 ARG 39 HH11 ARG 39 -22.230 3.240 -14.286 294 HH12 ARG 39 HH12 ARG 39 -23.833 3.884 -14.092 295 HH21 ARG 39 HH21 ARG 39 -23.425 4.577 -10.659 296 HH22 ARG 39 HH22 ARG 39 -24.519 4.624 -12.015 297 H GLU 40 H GLU 40 -16.738 5.379 -13.234 298 HA GLU 40 HA GLU 40 -15.199 3.303 -14.396 299 HB2 GLU 40 HB2 GLU 40 -15.223 6.250 -15.072 300 HB3 GLU 40 HB3 GLU 40 -14.685 4.938 -16.110 301 HG2 GLU 40 HG2 GLU 40 -16.950 4.054 -16.185 302 HG3 GLU 40 HG3 GLU 40 -17.497 5.343 -15.115 303 H GLU 41 H GLU 41 -14.381 6.377 -12.866 304 HA GLU 41 HA GLU 41 -11.598 6.193 -12.977 305 HB2 GLU 41 HB2 GLU 41 -13.462 7.527 -11.019 306 HB3 GLU 41 HB3 GLU 41 -11.717 7.682 -10.898 307 HG2 GLU 41 HG2 GLU 41 -13.254 8.410 -13.370 308 HG3 GLU 41 HG3 GLU 41 -12.932 9.548 -12.063 309 H ALA 42 H ALA 42 -13.915 4.604 -10.953 310 HA ALA 42 HA ALA 42 -12.081 3.817 -8.897 311 HB1 ALA 42 HB1 ALA 42 -13.889 2.435 -8.063 312 HB2 ALA 42 HB2 ALA 42 -14.784 2.658 -9.566 313 HB3 ALA 42 HB3 ALA 42 -14.502 4.031 -8.496 314 H GLU 43 H GLU 43 -13.665 2.074 -11.564 315 HA GLU 43 HA GLU 43 -12.264 -0.340 -11.246 316 HB2 GLU 43 HB2 GLU 43 -13.758 0.922 -13.513 317 HB3 GLU 43 HB3 GLU 43 -12.837 -0.549 -13.794 318 HG2 GLU 43 HG2 GLU 43 -14.861 -0.342 -11.593 319 HG3 GLU 43 HG3 GLU 43 -15.303 -0.788 -13.241 320 H SER 44 H SER 44 -11.502 2.576 -13.048 321 HA SER 44 HA SER 44 -9.274 1.542 -14.430 322 HG SER 44 HG SER 44 -11.480 3.915 -14.882 323 HB2 SER 44 HB2 SER 44 -9.830 4.394 -13.589 324 HB3 SER 44 HB3 SER 44 -8.679 3.883 -14.826 325 H PHE 45 H PHE 45 -9.694 2.735 -11.173 326 HA PHE 45 HA PHE 45 -6.876 2.988 -10.662 327 HD1 PHE 45 HD1 PHE 45 -6.101 4.905 -9.029 328 HD2 PHE 45 HD2 PHE 45 -8.398 2.200 -6.678 329 HE1 PHE 45 HE1 PHE 45 -4.528 5.202 -7.157 330 HE2 PHE 45 HE2 PHE 45 -6.830 2.490 -4.805 331 HZ PHE 45 HZ PHE 45 -4.895 3.991 -5.044 332 HB2 PHE 45 HB2 PHE 45 -8.584 4.347 -9.480 333 HB3 PHE 45 HB3 PHE 45 -9.210 2.882 -8.737 334 H MET 46 H MET 46 -9.433 0.663 -9.949 335 HA MET 46 HA MET 46 -7.840 -1.010 -8.308 336 HB2 MET 46 HB2 MET 46 -10.271 -0.968 -8.137 337 HB3 MET 46 HB3 MET 46 -10.418 -1.603 -9.769 338 HG2 MET 46 HG2 MET 46 -10.773 -3.290 -7.998 339 HG3 MET 46 HG3 MET 46 -9.471 -3.695 -9.114 340 HE1 MET 46 HE1 MET 46 -10.288 -2.146 -5.579 341 HE2 MET 46 HE2 MET 46 -9.154 -0.986 -6.272 342 HE3 MET 46 HE3 MET 46 -8.672 -1.983 -4.898 343 H THR 47 H THR 47 -8.629 -1.090 -11.765 344 HA THR 47 HA THR 47 -7.662 -3.663 -12.294 345 HB THR 47 HB THR 47 -7.652 -1.291 -14.172 346 HG1 THR 47 HG1 THR 47 -9.749 -1.541 -13.672 347 HG21 THR 47 HG21 THR 47 -6.304 -3.175 -14.988 348 HG22 THR 47 HG22 THR 47 -7.775 -2.976 -15.943 349 HG23 THR 47 HG23 THR 47 -7.673 -4.257 -14.736 350 H LYS 48 H LYS 48 -5.949 -0.529 -12.398 351 HA LYS 48 HA LYS 48 -3.459 -1.768 -13.068 352 HB2 LYS 48 HB2 LYS 48 -2.449 0.416 -12.763 353 HB3 LYS 48 HB3 LYS 48 -3.916 0.553 -13.712 354 HG2 LYS 48 HG2 LYS 48 -4.280 2.301 -12.358 355 HG3 LYS 48 HG3 LYS 48 -4.913 1.061 -11.278 356 HD2 LYS 48 HD2 LYS 48 -2.929 1.017 -10.003 357 HD3 LYS 48 HD3 LYS 48 -2.025 1.904 -11.232 358 HE2 LYS 48 HE2 LYS 48 -4.318 3.024 -9.625 359 HE3 LYS 48 HE3 LYS 48 -2.612 3.286 -9.264 360 HZ1 LYS 48 HZ1 LYS 48 -2.380 4.330 -11.465 361 HZ2 LYS 48 HZ2 LYS 48 -3.493 5.151 -10.484 362 HZ3 LYS 48 HZ3 LYS 48 -4.048 4.143 -11.729 363 H LEU 49 H LEU 49 -5.135 -1.011 -10.123 364 HA LEU 49 HA LEU 49 -3.023 -1.292 -8.293 365 HG LEU 49 HG LEU 49 -5.680 -0.169 -6.091 366 HB2 LEU 49 HB2 LEU 49 -5.913 -1.224 -8.219 367 HB3 LEU 49 HB3 LEU 49 -5.296 -2.415 -7.092 368 HD11 LEU 49 HD11 LEU 49 -3.538 -0.068 -4.911 369 HD12 LEU 49 HD12 LEU 49 -2.833 -1.150 -6.113 370 HD13 LEU 49 HD13 LEU 49 -4.131 -1.721 -5.065 371 HD21 LEU 49 HD21 LEU 49 -5.041 1.209 -7.992 372 HD22 LEU 49 HD22 LEU 49 -3.379 0.634 -7.870 373 HD23 LEU 49 HD23 LEU 49 -4.072 1.614 -6.576 374 H LYS 50 H LYS 50 -4.904 -3.652 -10.066 375 HA LYS 50 HA LYS 50 -4.156 -5.978 -8.700 376 HB2 LYS 50 HB2 LYS 50 -5.209 -5.331 -11.374 377 HB3 LYS 50 HB3 LYS 50 -4.291 -6.825 -11.295 378 HG2 LYS 50 HG2 LYS 50 -6.637 -7.271 -10.979 379 HG3 LYS 50 HG3 LYS 50 -5.756 -7.614 -9.491 380 HD2 LYS 50 HD2 LYS 50 -6.472 -5.469 -8.570 381 HD3 LYS 50 HD3 LYS 50 -7.325 -5.104 -10.071 382 HE2 LYS 50 HE2 LYS 50 -7.929 -7.358 -8.156 383 HE3 LYS 50 HE3 LYS 50 -8.889 -5.899 -8.398 384 HZ1 LYS 50 HZ1 LYS 50 -9.934 -7.598 -9.630 385 HZ2 LYS 50 HZ2 LYS 50 -8.471 -8.138 -10.300 386 HZ3 LYS 50 HZ3 LYS 50 -9.120 -6.644 -10.776 387 H GLU 51 H GLU 51 -2.473 -4.068 -11.127 388 HA GLU 51 HA GLU 51 -0.320 -5.846 -11.560 389 HB2 GLU 51 HB2 GLU 51 -0.516 -2.848 -11.804 390 HB3 GLU 51 HB3 GLU 51 0.897 -3.772 -12.298 391 HG2 GLU 51 HG2 GLU 51 -1.854 -4.290 -13.381 392 HG3 GLU 51 HG3 GLU 51 -0.725 -3.154 -14.108 393 H LEU 52 H LEU 52 -0.859 -3.204 -9.299 394 HA LEU 52 HA LEU 52 1.675 -3.187 -8.092 395 HG LEU 52 HG LEU 52 -0.461 -1.045 -8.917 396 HB2 LEU 52 HB2 LEU 52 -1.014 -2.416 -6.963 397 HB3 LEU 52 HB3 LEU 52 0.526 -2.016 -6.233 398 HD11 LEU 52 HD11 LEU 52 -0.097 0.368 -6.279 399 HD12 LEU 52 HD12 LEU 52 -1.630 -0.003 -7.070 400 HD13 LEU 52 HD13 LEU 52 -0.513 1.147 -7.806 401 HD21 LEU 52 HD21 LEU 52 1.537 0.382 -8.905 402 HD22 LEU 52 HD22 LEU 52 1.966 -1.329 -8.921 403 HD23 LEU 52 HD23 LEU 52 2.088 -0.401 -7.426 404 H ALA 53 H ALA 53 -1.345 -4.792 -7.116 405 HA ALA 53 HA ALA 53 -0.335 -5.964 -4.766 406 HB1 ALA 53 HB1 ALA 53 -2.304 -7.424 -4.870 407 HB2 ALA 53 HB2 ALA 53 -2.613 -6.882 -6.521 408 HB3 ALA 53 HB3 ALA 53 -2.717 -5.738 -5.182 409 H ALA 54 H ALA 54 -0.450 -7.121 -8.092 410 HA ALA 54 HA ALA 54 0.345 -9.768 -7.630 411 HB1 ALA 54 HB1 ALA 54 -0.605 -9.011 -9.752 412 HB2 ALA 54 HB2 ALA 54 0.939 -9.827 -9.995 413 HB3 ALA 54 HB3 ALA 54 0.851 -8.068 -10.071 414 H ALA 55 H ALA 55 2.241 -6.845 -8.209 415 HA ALA 55 HA ALA 55 4.740 -8.285 -8.224 416 HB1 ALA 55 HB1 ALA 55 5.758 -6.075 -8.455 417 HB2 ALA 55 HB2 ALA 55 4.194 -5.320 -8.148 418 HB3 ALA 55 HB3 ALA 55 4.432 -6.292 -9.599 419 H ALA 56 H ALA 56 2.783 -6.619 -5.889 420 HA ALA 56 HA ALA 56 4.849 -6.208 -3.964 421 HB1 ALA 56 HB1 ALA 56 2.827 -4.848 -3.950 422 HB2 ALA 56 HB2 ALA 56 3.030 -5.684 -2.410 423 HB3 ALA 56 HB3 ALA 56 1.856 -6.275 -3.587 424 H SER 57 H SER 57 2.193 -8.578 -4.175 425 HA SER 57 HA SER 57 3.317 -10.053 -1.942 426 HG SER 57 HG SER 57 1.624 -11.696 -1.096 427 HB2 SER 57 HB2 SER 57 0.892 -9.738 -2.015 428 HB3 SER 57 HB3 SER 57 0.826 -10.546 -3.581 429 H SER 58 H SER 58 2.142 -11.010 -5.126 430 HA SER 58 HA SER 58 2.867 -12.496 -6.676 431 HG SER 58 HG SER 58 4.209 -10.663 -6.926 432 HB2 SER 58 HB2 SER 58 5.495 -12.334 -5.188 433 HB3 SER 58 HB3 SER 58 5.255 -13.066 -6.774 434 H ALA 59 H ALA 59 1.984 -13.299 -3.809 435 HA ALA 59 HA ALA 59 3.072 -15.800 -3.199 436 HB1 ALA 59 HB1 ALA 59 1.626 -14.569 -1.659 437 HB2 ALA 59 HB2 ALA 59 1.034 -16.209 -1.922 438 HB3 ALA 59 HB3 ALA 59 0.248 -14.848 -2.722 439 H ASP 60 H ASP 60 -0.268 -15.580 -4.381 440 HA ASP 60 HA ASP 60 0.294 -17.809 -6.192 441 HB2 ASP 60 HB2 ASP 60 -1.617 -18.235 -4.801 442 HB3 ASP 60 HB3 ASP 60 -2.314 -16.663 -5.182 443 H GLU 61 H GLU 61 -1.724 -14.914 -6.258 444 HA GLU 61 HA GLU 61 -0.578 -14.266 -8.891 445 HB2 GLU 61 HB2 GLU 61 -2.899 -15.001 -9.150 446 HB3 GLU 61 HB3 GLU 61 -3.422 -13.844 -7.936 447 HG2 GLU 61 HG2 GLU 61 -2.837 -12.004 -9.370 448 HG3 GLU 61 HG3 GLU 61 -2.156 -13.108 -10.565 449 H GLY 62 H GLY 62 -1.316 -13.348 -5.683 450 HA2 GLY 62 HA2 GLY 62 0.236 -11.366 -5.108 451 HA3 GLY 62 HA3 GLY 62 -0.764 -10.514 -6.274 452 H ALA 63 H ALA 63 -1.000 -12.446 -3.321 453 HA ALA 63 HA ALA 63 -2.239 -12.246 -1.440 454 HB1 ALA 63 HB1 ALA 63 -2.685 -9.411 -2.372 455 HB2 ALA 63 HB2 ALA 63 -1.344 -9.971 -1.372 456 HB3 ALA 63 HB3 ALA 63 -2.993 -10.030 -0.751 457 H SER 64 H SER 64 -4.564 -11.235 -0.722 458 HA SER 64 HA SER 64 -6.474 -12.151 -2.766 459 HG SER 64 HG SER 64 -6.268 -14.115 0.209 460 HB2 SER 64 HB2 SER 64 -6.726 -12.051 0.251 461 HB3 SER 64 HB3 SER 64 -8.007 -12.554 -0.849 462 H VAL 65 H VAL 65 -7.728 -10.634 -3.661 463 HA VAL 65 HA VAL 65 -7.885 -8.038 -2.294 464 HB VAL 65 HB VAL 65 -6.812 -7.803 -4.420 465 HG11 VAL 65 HG11 VAL 65 -9.223 -9.140 -5.646 466 HG12 VAL 65 HG12 VAL 65 -7.595 -9.809 -5.534 467 HG13 VAL 65 HG13 VAL 65 -7.896 -8.392 -6.538 468 HG21 VAL 65 HG21 VAL 65 -8.326 -6.007 -3.775 469 HG22 VAL 65 HG22 VAL 65 -9.657 -6.814 -4.603 470 HG23 VAL 65 HG23 VAL 65 -8.286 -6.199 -5.527 471 H ALA 66 H ALA 66 -9.683 -7.671 -1.285 472 HA ALA 66 HA ALA 66 -12.212 -8.408 -2.605 473 HB1 ALA 66 HB1 ALA 66 -11.977 -9.592 -0.495 474 HB2 ALA 66 HB2 ALA 66 -13.248 -8.375 -0.366 475 HB3 ALA 66 HB3 ALA 66 -11.662 -8.074 0.347 476 H TYR 67 H TYR 67 -12.688 -6.568 -3.720 477 HA TYR 67 HA TYR 67 -12.581 -4.049 -2.207 478 HD1 TYR 67 HD2 TYR 67 -11.651 -6.119 -5.844 479 HD2 TYR 67 HD1 TYR 67 -13.137 -2.128 -5.790 480 HE1 TYR 67 HE2 TYR 67 -12.449 -6.388 -8.157 481 HE2 TYR 67 HE1 TYR 67 -13.936 -2.388 -8.099 482 HH TYR 67 HH TYR 67 -13.502 -3.743 -10.066 483 HB2 TYR 67 HB2 TYR 67 -11.746 -2.875 -4.037 484 HB3 TYR 67 HB3 TYR 67 -10.878 -4.399 -4.145 485 H LYS 68 H LYS 68 -14.129 -2.447 -2.809 486 HA LYS 68 HA LYS 68 -16.352 -3.406 -4.458 487 HB2 LYS 68 HB2 LYS 68 -16.624 -2.134 -1.743 488 HB3 LYS 68 HB3 LYS 68 -17.942 -2.235 -2.901 489 HG2 LYS 68 HG2 LYS 68 -17.212 -4.800 -2.853 490 HG3 LYS 68 HG3 LYS 68 -16.729 -4.316 -1.233 491 HD2 LYS 68 HD2 LYS 68 -18.966 -5.081 -1.065 492 HD3 LYS 68 HD3 LYS 68 -19.027 -3.322 -0.957 493 HE2 LYS 68 HE2 LYS 68 -19.601 -3.193 -3.331 494 HE3 LYS 68 HE3 LYS 68 -19.534 -4.950 -3.447 495 HZ1 LYS 68 HZ1 LYS 68 -21.450 -3.369 -1.816 496 HZ2 LYS 68 HZ2 LYS 68 -21.364 -5.062 -1.840 497 HZ3 LYS 68 HZ3 LYS 68 -21.796 -4.215 -3.245 498 H ILE 69 H ILE 69 -17.759 -1.731 -5.167 499 HA ILE 69 HA ILE 69 -16.543 0.955 -5.241 500 HB ILE 69 HB ILE 69 -17.963 -0.407 -7.543 501 HG12 ILE 69 HG12 ILE 69 -15.054 0.366 -7.229 502 HG13 ILE 69 HG13 ILE 69 -15.689 -1.275 -7.170 503 HG21 ILE 69 HG21 ILE 69 -17.399 1.589 -8.828 504 HG22 ILE 69 HG22 ILE 69 -16.665 2.313 -7.397 505 HG23 ILE 69 HG23 ILE 69 -18.400 1.998 -7.434 506 HD11 ILE 69 HD11 ILE 69 -16.404 -1.081 -9.489 507 HD12 ILE 69 HD12 ILE 69 -14.673 -0.795 -9.316 508 HD13 ILE 69 HD13 ILE 69 -15.773 0.564 -9.549 509 H LYS 70 H LYS 70 -17.866 2.083 -3.942 510 HA LYS 70 HA LYS 70 -20.723 1.484 -3.961 511 HB2 LYS 70 HB2 LYS 70 -19.555 1.708 -1.800 512 HB3 LYS 70 HB3 LYS 70 -19.169 3.374 -2.194 513 HG2 LYS 70 HG2 LYS 70 -21.536 3.927 -2.234 514 HG3 LYS 70 HG3 LYS 70 -21.940 2.249 -1.870 515 HD2 LYS 70 HD2 LYS 70 -20.735 2.426 0.258 516 HD3 LYS 70 HD3 LYS 70 -20.342 4.107 -0.106 517 HE2 LYS 70 HE2 LYS 70 -22.758 4.616 -0.181 518 HE3 LYS 70 HE3 LYS 70 -23.103 2.947 0.269 519 HZ1 LYS 70 HZ1 LYS 70 -21.933 3.291 2.346 520 HZ2 LYS 70 HZ2 LYS 70 -23.172 4.439 2.180 521 HZ3 LYS 70 HZ3 LYS 70 -21.560 4.889 1.910 522 H ASP 71 H ASP 71 -22.004 2.543 -5.202 523 HA ASP 71 HA ASP 71 -21.158 4.882 -6.641 524 HB2 ASP 71 HB2 ASP 71 -22.620 3.069 -7.612 525 HB3 ASP 71 HB3 ASP 71 -23.921 3.643 -6.574 526 H LEU 72 H LEU 72 -21.097 6.768 -5.595 527 HA LEU 72 HA LEU 72 -23.083 7.312 -3.505 528 HG LEU 72 HG LEU 72 -20.136 6.417 -3.079 529 HB2 LEU 72 HB2 LEU 72 -20.442 8.641 -4.110 530 HB3 LEU 72 HB3 LEU 72 -21.513 9.090 -2.798 531 HD11 LEU 72 HD11 LEU 72 -18.788 7.181 -1.165 532 HD12 LEU 72 HD12 LEU 72 -19.550 8.768 -1.281 533 HD13 LEU 72 HD13 LEU 72 -18.539 8.176 -2.598 534 HD21 LEU 72 HD21 LEU 72 -21.810 7.576 -0.855 535 HD22 LEU 72 HD22 LEU 72 -20.920 6.055 -0.777 536 HD23 LEU 72 HD23 LEU 72 -22.258 6.237 -1.912 537 H GLU 73 H GLU 73 -23.148 9.963 -3.350 538 HA GLU 73 HA GLU 73 -24.484 10.667 -5.854 539 HB2 GLU 73 HB2 GLU 73 -25.415 12.572 -4.461 540 HB3 GLU 73 HB3 GLU 73 -25.915 10.953 -3.995 541 HG2 GLU 73 HG2 GLU 73 -24.131 11.000 -2.245 542 HG3 GLU 73 HG3 GLU 73 -23.874 12.696 -2.644 543 H GLY 74 H GLY 74 -22.995 11.400 -7.245 544 HA2 GLY 74 HA2 GLY 74 -21.850 13.228 -8.188 545 HA3 GLY 74 HA3 GLY 74 -21.711 13.942 -6.589 546 H GLN 75 H GLN 75 -20.882 10.727 -6.447 547 HA GLN 75 HA GLN 75 -18.230 10.738 -7.420 548 HB2 GLN 75 HB2 GLN 75 -17.052 10.708 -5.233 549 HB3 GLN 75 HB3 GLN 75 -17.789 12.266 -5.576 550 HG2 GLN 75 HG2 GLN 75 -19.683 11.650 -4.116 551 HG3 GLN 75 HG3 GLN 75 -18.847 10.150 -3.717 552 HE21 GLN 75 HE21 GLN 75 -17.017 10.222 -2.417 553 HE22 GLN 75 HE22 GLN 75 -16.608 11.613 -1.472 554 H VAL 76 H VAL 76 -17.007 8.801 -6.230 555 HA VAL 76 HA VAL 76 -18.939 6.768 -5.361 556 HB VAL 76 HB VAL 76 -17.803 5.025 -6.660 557 HG11 VAL 76 HG11 VAL 76 -18.829 7.292 -8.356 558 HG12 VAL 76 HG12 VAL 76 -19.802 6.037 -7.592 559 HG13 VAL 76 HG13 VAL 76 -18.667 5.615 -8.874 560 HG21 VAL 76 HG21 VAL 76 -16.275 7.306 -7.902 561 HG22 VAL 76 HG22 VAL 76 -16.263 5.639 -8.474 562 HG23 VAL 76 HG23 VAL 76 -15.612 6.028 -6.882 563 H GLU 77 H GLU 77 -18.033 5.092 -4.099 564 HA GLU 77 HA GLU 77 -15.511 5.868 -2.806 565 HB2 GLU 77 HB2 GLU 77 -17.428 5.710 -1.295 566 HB3 GLU 77 HB3 GLU 77 -17.762 4.075 -1.850 567 HG2 GLU 77 HG2 GLU 77 -15.489 3.437 -0.969 568 HG3 GLU 77 HG3 GLU 77 -15.426 5.031 -0.217 569 H LEU 78 H LEU 78 -13.804 4.801 -3.620 570 HA LEU 78 HA LEU 78 -14.130 2.035 -4.503 571 HG LEU 78 HG LEU 78 -11.169 2.321 -6.664 572 HB2 LEU 78 HB2 LEU 78 -12.834 3.734 -5.861 573 HB3 LEU 78 HB3 LEU 78 -11.641 3.748 -4.580 574 HD11 LEU 78 HD11 LEU 78 -10.988 1.067 -3.925 575 HD12 LEU 78 HD12 LEU 78 -9.828 2.189 -4.634 576 HD13 LEU 78 HD13 LEU 78 -10.051 0.588 -5.341 577 HD21 LEU 78 HD21 LEU 78 -13.348 1.264 -6.833 578 HD22 LEU 78 HD22 LEU 78 -13.121 0.512 -5.254 579 HD23 LEU 78 HD23 LEU 78 -12.084 0.055 -6.606 580 H ASP 79 H ASP 79 -14.002 0.564 -2.987 581 HA ASP 79 HA ASP 79 -12.375 1.137 -0.593 582 HB2 ASP 79 HB2 ASP 79 -14.913 1.002 -0.323 583 HB3 ASP 79 HB3 ASP 79 -14.759 -0.708 -0.699 584 H ALA 80 H ALA 80 -10.581 -0.035 -0.585 585 HA ALA 80 HA ALA 80 -10.666 -2.689 -1.858 586 HB1 ALA 80 HB1 ALA 80 -9.217 -1.085 -2.998 587 HB2 ALA 80 HB2 ALA 80 -8.288 -2.416 -2.308 588 HB3 ALA 80 HB3 ALA 80 -8.307 -0.845 -1.506 589 H ALA 81 H ALA 81 -10.132 -4.426 -0.711 590 HA ALA 81 HA ALA 81 -8.630 -4.092 1.789 591 HB1 ALA 81 HB1 ALA 81 -10.956 -4.584 2.335 592 HB2 ALA 81 HB2 ALA 81 -9.912 -5.941 2.762 593 HB3 ALA 81 HB3 ALA 81 -10.905 -6.016 1.307 594 H PHE 82 H PHE 82 -6.682 -4.845 1.302 595 HA PHE 82 HA PHE 82 -6.445 -7.262 -0.362 596 HD1 PHE 82 HD2 PHE 82 -5.784 -3.366 -0.793 597 HD2 PHE 82 HD1 PHE 82 -4.672 -6.936 -2.832 598 HE1 PHE 82 HE2 PHE 82 -6.371 -2.321 -2.939 599 HE2 PHE 82 HE1 PHE 82 -5.257 -5.892 -4.984 600 HZ PHE 82 HZ PHE 82 -6.106 -3.584 -5.037 601 HB2 PHE 82 HB2 PHE 82 -4.458 -5.081 0.300 602 HB3 PHE 82 HB3 PHE 82 -4.021 -6.563 -0.538 603 H THR 83 H THR 83 -6.206 -9.071 0.741 604 HA THR 83 HA THR 83 -4.882 -9.018 3.352 605 HB THR 83 HB THR 83 -6.364 -11.283 1.992 606 HG1 THR 83 HG1 THR 83 -7.163 -9.615 4.175 607 HG21 THR 83 HG21 THR 83 -5.359 -11.021 4.833 608 HG22 THR 83 HG22 THR 83 -4.667 -12.064 3.588 609 HG23 THR 83 HG23 THR 83 -6.299 -12.366 4.185 610 H PHE 84 H PHE 84 -2.746 -9.152 3.209 611 HA PHE 84 HA PHE 84 -1.499 -10.709 1.088 612 HD1 PHE 84 HD2 PHE 84 -1.726 -7.022 2.676 613 HD2 PHE 84 HD1 PHE 84 0.541 -9.018 -0.324 614 HE1 PHE 84 HE2 PHE 84 -2.094 -5.132 1.143 615 HE2 PHE 84 HE1 PHE 84 0.178 -7.133 -1.858 616 HZ PHE 84 HZ PHE 84 -1.143 -5.191 -1.129 617 HB2 PHE 84 HB2 PHE 84 -0.316 -8.917 3.218 618 HB3 PHE 84 HB3 PHE 84 0.619 -9.741 1.973 619 H SER 85 H SER 85 0.533 -11.967 1.829 620 HA SER 85 HA SER 85 -0.389 -14.046 3.566 621 HG SER 85 HG SER 85 1.636 -13.344 0.761 622 HB2 SER 85 HB2 SER 85 2.464 -13.821 2.681 623 HB3 SER 85 HB3 SER 85 1.441 -15.253 2.799 624 H CYS 86 H CYS 86 2.228 -11.663 3.686 625 HA CYS 86 HA CYS 86 2.033 -11.698 6.616 626 HG CYS 86 HG CYS 86 2.959 -14.188 6.101 627 HB2 CYS 86 HB2 CYS 86 4.608 -11.614 5.021 628 HB3 CYS 86 HB3 CYS 86 4.485 -11.426 6.768 629 H GLN 87 H GLN 87 2.817 -9.692 7.605 630 HA GLN 87 HA GLN 87 1.652 -7.458 6.397 631 HB2 GLN 87 HB2 GLN 87 1.793 -7.593 8.784 632 HB3 GLN 87 HB3 GLN 87 3.546 -7.685 8.734 633 HG2 GLN 87 HG2 GLN 87 3.770 -5.427 8.198 634 HG3 GLN 87 HG3 GLN 87 2.085 -5.274 7.709 635 HE21 GLN 87 HE21 GLN 87 0.491 -5.102 9.309 636 HE22 GLN 87 HE22 GLN 87 0.884 -4.661 10.932 637 H ALA 88 H ALA 88 4.856 -8.712 6.120 638 HA ALA 88 HA ALA 88 6.316 -6.457 5.387 639 HB1 ALA 88 HB1 ALA 88 7.818 -7.985 4.243 640 HB2 ALA 88 HB2 ALA 88 6.589 -9.248 4.277 641 HB3 ALA 88 HB3 ALA 88 7.301 -8.672 5.783 642 H GLU 89 H GLU 89 4.190 -8.517 3.453 643 HA GLU 89 HA GLU 89 4.734 -7.217 0.961 644 HB2 GLU 89 HB2 GLU 89 2.345 -8.894 1.791 645 HB3 GLU 89 HB3 GLU 89 2.800 -8.488 0.140 646 HG2 GLU 89 HG2 GLU 89 4.519 -9.980 0.102 647 HG3 GLU 89 HG3 GLU 89 4.780 -9.900 1.843 648 H MET 90 H MET 90 2.559 -6.661 3.618 649 HA MET 90 HA MET 90 0.722 -5.025 2.151 650 HB2 MET 90 HB2 MET 90 0.124 -6.286 4.232 651 HB3 MET 90 HB3 MET 90 1.107 -5.147 5.143 652 HG2 MET 90 HG2 MET 90 -0.338 -3.314 4.362 653 HG3 MET 90 HG3 MET 90 -1.342 -4.488 3.516 654 HE1 MET 90 HE1 MET 90 0.394 -4.653 7.064 655 HE2 MET 90 HE2 MET 90 -0.937 -4.124 8.094 656 HE3 MET 90 HE3 MET 90 -0.226 -3.008 6.927 657 H ILE 91 H ILE 91 3.375 -4.382 4.433 658 HA ILE 91 HA ILE 91 3.041 -1.596 4.452 659 HB ILE 91 HB ILE 91 5.444 -1.548 5.260 660 HG12 ILE 91 HG12 ILE 91 5.093 -4.547 5.315 661 HG13 ILE 91 HG13 ILE 91 6.099 -3.698 4.153 662 HG21 ILE 91 HG21 ILE 91 3.441 -3.276 6.698 663 HG22 ILE 91 HG22 ILE 91 3.560 -1.518 6.775 664 HG23 ILE 91 HG23 ILE 91 4.852 -2.519 7.438 665 HD11 ILE 91 HD11 ILE 91 7.479 -2.844 5.996 666 HD12 ILE 91 HD12 ILE 91 7.442 -4.607 5.942 667 HD13 ILE 91 HD13 ILE 91 6.477 -3.743 7.136 668 H ILE 92 H ILE 92 5.094 -3.669 2.393 669 HA ILE 92 HA ILE 92 6.327 -1.515 1.036 670 HB ILE 92 HB ILE 92 6.883 -3.136 -0.729 671 HG12 ILE 92 HG12 ILE 92 5.387 -5.186 0.897 672 HG13 ILE 92 HG13 ILE 92 4.752 -4.443 -0.572 673 HG21 ILE 92 HG21 ILE 92 8.289 -4.599 0.614 674 HG22 ILE 92 HG22 ILE 92 7.356 -4.175 2.049 675 HG23 ILE 92 HG23 ILE 92 8.309 -2.945 1.223 676 HD11 ILE 92 HD11 ILE 92 7.309 -6.024 -0.425 677 HD12 ILE 92 HD12 ILE 92 6.537 -5.382 -1.877 678 HD13 ILE 92 HD13 ILE 92 5.752 -6.664 -0.954 679 H PHE 93 H PHE 93 3.299 -3.181 0.645 680 HA PHE 93 HA PHE 93 2.630 -2.194 -1.922 681 HD1 PHE 93 HD2 PHE 93 0.979 -3.673 -3.324 682 HD2 PHE 93 HD1 PHE 93 -1.276 -2.209 -0.024 683 HE1 PHE 93 HE2 PHE 93 -0.970 -3.380 -4.792 684 HE2 PHE 93 HE1 PHE 93 -3.232 -1.914 -1.488 685 HZ PHE 93 HZ PHE 93 -3.075 -2.498 -3.874 686 HB2 PHE 93 HB2 PHE 93 1.547 -4.149 -0.858 687 HB3 PHE 93 HB3 PHE 93 0.825 -3.086 0.341 688 H GLU 94 H GLU 94 1.778 -1.142 1.364 689 HA GLU 94 HA GLU 94 0.270 1.098 0.722 690 HB2 GLU 94 HB2 GLU 94 2.111 0.622 3.068 691 HB3 GLU 94 HB3 GLU 94 0.995 1.975 2.958 692 HG2 GLU 94 HG2 GLU 94 0.188 -0.920 2.887 693 HG3 GLU 94 HG3 GLU 94 0.146 0.106 4.321 694 H LEU 95 H LEU 95 3.781 0.816 1.158 695 HA LEU 95 HA LEU 95 4.395 3.530 0.779 696 HG LEU 95 HG LEU 95 5.440 1.136 2.512 697 HB2 LEU 95 HB2 LEU 95 6.081 1.110 0.122 698 HB3 LEU 95 HB3 LEU 95 6.670 2.754 0.278 699 HD11 LEU 95 HD11 LEU 95 8.313 1.879 1.990 700 HD12 LEU 95 HD12 LEU 95 7.615 0.267 1.830 701 HD13 LEU 95 HD13 LEU 95 7.702 1.040 3.414 702 HD21 LEU 95 HD21 LEU 95 6.211 2.952 3.953 703 HD22 LEU 95 HD22 LEU 95 5.057 3.539 2.755 704 HD23 LEU 95 HD23 LEU 95 6.781 3.839 2.539 705 H SER 96 H SER 96 4.212 0.830 -1.508 706 HA SER 96 HA SER 96 5.035 2.228 -3.795 707 HG SER 96 HG SER 96 5.200 -0.661 -2.722 708 HB2 SER 96 HB2 SER 96 3.203 -0.172 -3.569 709 HB3 SER 96 HB3 SER 96 3.972 0.381 -5.056 710 H LEU 97 H LEU 97 1.894 1.930 -2.253 711 HA LEU 97 HA LEU 97 0.305 3.038 -4.287 712 HG LEU 97 HG LEU 97 -0.078 0.886 -2.036 713 HB2 LEU 97 HB2 LEU 97 -0.026 3.221 -1.292 714 HB3 LEU 97 HB3 LEU 97 -1.263 3.630 -2.466 715 HD11 LEU 97 HD11 LEU 97 -2.322 0.329 -1.203 716 HD12 LEU 97 HD12 LEU 97 -2.787 2.024 -1.351 717 HD13 LEU 97 HD13 LEU 97 -1.525 1.550 -0.212 718 HD21 LEU 97 HD21 LEU 97 -2.295 1.799 -3.867 719 HD22 LEU 97 HD22 LEU 97 -1.804 0.127 -3.591 720 HD23 LEU 97 HD23 LEU 97 -0.693 1.257 -4.367 721 H ARG 98 H ARG 98 2.005 4.558 -1.567 722 HA ARG 98 HA ARG 98 1.198 7.201 -2.173 723 HE ARG 98 HE ARG 98 -0.141 7.017 2.077 724 HB2 ARG 98 HB2 ARG 98 3.376 6.019 -0.493 725 HB3 ARG 98 HB3 ARG 98 3.387 7.743 -0.825 726 HG2 ARG 98 HG2 ARG 98 2.339 7.331 1.294 727 HG3 ARG 98 HG3 ARG 98 1.131 7.915 0.150 728 HD2 ARG 98 HD2 ARG 98 0.389 5.613 -0.220 729 HD3 ARG 98 HD3 ARG 98 1.588 5.042 0.940 730 HH11 ARG 98 HH11 ARG 98 0.087 3.622 1.241 731 HH12 ARG 98 HH12 ARG 98 -1.082 3.109 2.427 732 HH21 ARG 98 HH21 ARG 98 -1.667 6.349 3.652 733 HH22 ARG 98 HH22 ARG 98 -2.083 4.665 3.790 734 H SER 99 H SER 99 3.968 5.249 -3.118 735 HA SER 99 HA SER 99 5.369 7.351 -4.430 736 HG SER 99 HG SER 99 6.299 5.992 -2.763 737 HB2 SER 99 HB2 SER 99 5.628 4.363 -4.842 738 HB3 SER 99 HB3 SER 99 6.814 5.591 -5.288 739 H LEU 100 H LEU 100 2.586 5.658 -5.285 740 HA LEU 100 HA LEU 100 3.053 5.878 -8.153 741 HG LEU 100 HG LEU 100 1.294 4.955 -9.567 742 HB2 LEU 100 HB2 LEU 100 1.897 3.910 -7.194 743 HB3 LEU 100 HB3 LEU 100 0.594 4.955 -6.669 744 HD11 LEU 100 HD11 LEU 100 -0.199 3.032 -9.939 745 HD12 LEU 100 HD12 LEU 100 -0.259 2.768 -8.196 746 HD13 LEU 100 HD13 LEU 100 1.267 2.593 -9.063 747 HD21 LEU 100 HD21 LEU 100 -0.424 6.473 -8.698 748 HD22 LEU 100 HD22 LEU 100 -1.322 5.093 -8.066 749 HD23 LEU 100 HD23 LEU 100 -1.113 5.287 -9.807 750 H ALA 101 H ALA 101 0.679 7.052 -5.787 751 HA ALA 101 HA ALA 101 -0.485 8.971 -7.497 752 HB1 ALA 101 HB1 ALA 101 -1.611 8.168 -5.488 753 HB2 ALA 101 HB2 ALA 101 -1.450 9.924 -5.455 754 HB3 ALA 101 HB3 ALA 101 -0.375 8.921 -4.481 755 H LEU 102 H LEU 102 2.272 9.005 -5.366 756 HA LEU 102 HA LEU 102 3.089 11.554 -6.562 757 HG LEU 102 HG LEU 102 1.549 12.821 -5.044 758 HB2 LEU 102 HB2 LEU 102 3.329 10.887 -3.627 759 HB3 LEU 102 HB3 LEU 102 4.052 12.281 -4.400 760 HD11 LEU 102 HD11 LEU 102 -0.001 12.176 -3.247 761 HD12 LEU 102 HD12 LEU 102 1.241 11.125 -2.568 762 HD13 LEU 102 HD13 LEU 102 0.571 10.781 -4.163 763 HD21 LEU 102 HD21 LEU 102 1.395 14.195 -3.042 764 HD22 LEU 102 HD22 LEU 102 3.033 14.222 -3.695 765 HD23 LEU 102 HD23 LEU 102 2.665 13.242 -2.276 766 H GLU 103 H GLU 103 4.508 10.444 -7.896 767 HA GLU 103 HA GLU 103 6.433 8.621 -6.787 768 HB2 GLU 103 HB2 GLU 103 7.434 8.646 -9.051 769 HB3 GLU 103 HB3 GLU 103 5.721 8.260 -9.059 770 HG2 GLU 103 HG2 GLU 103 5.135 10.309 -9.984 771 HG3 GLU 103 HG3 GLU 103 6.664 11.057 -9.522 772 H HIS 104 H HIS 104 8.654 8.927 -6.615 773 HA HIS 104 HA HIS 104 10.551 10.027 -6.025 774 HD1 HIS 104 HD1 HIS 104 9.154 10.907 -9.909 775 HD2 HIS 104 HD2 HIS 104 12.850 10.431 -8.061 776 HE1 HIS 104 HE1 HIS 104 10.589 9.685 -11.568 777 HE2 HIS 104 HE2 HIS 104 12.874 9.589 -10.508 778 HB2 HIS 104 HB2 HIS 104 9.359 12.206 -7.751 779 HB3 HIS 104 HB3 HIS 104 10.953 12.320 -7.015 780 H HIS 105 H HIS 105 11.040 12.646 -5.266 781 HA HIS 105 HA HIS 105 10.794 14.154 -3.591 782 HD1 HIS 105 HD1 HIS 105 6.978 14.023 -5.662 783 HD2 HIS 105 HD2 HIS 105 9.547 16.745 -3.850 784 HE1 HIS 105 HE1 HIS 105 6.787 16.133 -7.006 785 HE2 HIS 105 HE2 HIS 105 8.128 17.833 -5.720 786 HB2 HIS 105 HB2 HIS 105 7.958 13.130 -3.563 787 HB3 HIS 105 HB3 HIS 105 8.529 14.342 -2.425 788 H HIS 106 H HIS 106 10.741 14.311 -1.283 789 HA HIS 106 HA HIS 106 11.123 13.622 0.836 790 HD1 HIS 106 HD1 HIS 106 10.227 13.609 2.993 791 HD2 HIS 106 HD2 HIS 106 9.119 9.654 2.331 792 HE1 HIS 106 HE1 HIS 106 10.144 12.538 5.268 793 HE2 HIS 106 HE2 HIS 106 9.434 10.157 4.857 794 HB2 HIS 106 HB2 HIS 106 8.783 12.771 0.533 795 HB3 HIS 106 HB3 HIS 106 9.463 11.197 0.137 796 H HIS 107 H HIS 107 12.932 12.673 -1.369 797 HA HIS 107 HA HIS 107 13.952 10.165 -0.370 798 HD1 HIS 107 HD1 HIS 107 15.851 8.616 -2.878 799 HD2 HIS 107 HD2 HIS 107 12.376 10.788 -3.602 800 HE1 HIS 107 HE1 HIS 107 14.466 7.195 -4.432 801 HE2 HIS 107 HE2 HIS 107 12.434 8.587 -4.971 802 HB2 HIS 107 HB2 HIS 107 14.792 12.066 -2.516 803 HB3 HIS 107 HB3 HIS 107 15.956 10.890 -1.911 804 H HIS 108 H HIS 108 13.921 11.294 1.840 805 HA HIS 108 HA HIS 108 16.671 12.181 2.373 806 HD1 HIS 108 HD1 HIS 108 16.997 15.448 4.018 807 HD2 HIS 108 HD2 HIS 108 14.854 14.581 0.555 808 HE1 HIS 108 HE1 HIS 108 17.624 17.235 2.363 809 HE2 HIS 108 HE2 HIS 108 16.198 16.787 0.336 810 HB2 HIS 108 HB2 HIS 108 14.120 13.470 3.250 811 HB3 HIS 108 HB3 HIS 108 15.512 13.516 4.325 812 H HIS 109 H HIS 109 17.539 10.529 3.379 813 HA HIS 109 HA HIS 109 16.386 9.723 5.933 814 HD1 HIS 109 HD1 HIS 109 15.002 6.679 2.899 815 HD2 HIS 109 HD2 HIS 109 14.504 8.370 6.660 816 HE1 HIS 109 HE1 HIS 109 12.587 6.308 3.487 817 HE2 HIS 109 HE2 HIS 109 12.379 7.133 5.862 818 HB2 HIS 109 HB2 HIS 109 17.054 7.846 3.679 819 HB3 HIS 109 HB3 HIS 109 17.240 7.320 5.348 Start of MODEL 12 1 HA MET 1 HA MET 1 39.074 -36.572 -6.714 2 H1 MET 1 H1 MET 1 39.734 -38.808 -6.176 3 H2 MET 1 H2 MET 1 39.358 -38.568 -4.540 4 H3 MET 1 H3 MET 1 40.635 -37.705 -5.254 5 HB2 MET 1 HB2 MET 1 37.018 -38.051 -5.048 6 HB3 MET 1 HB3 MET 1 36.653 -36.751 -6.173 7 HG2 MET 1 HG2 MET 1 37.425 -38.092 -8.029 8 HG3 MET 1 HG3 MET 1 37.907 -39.380 -6.928 9 HE1 MET 1 HE1 MET 1 34.895 -37.374 -8.456 10 HE2 MET 1 HE2 MET 1 34.681 -37.131 -6.722 11 HE3 MET 1 HE3 MET 1 33.522 -38.104 -7.624 12 H ALA 2 H ALA 2 39.551 -34.619 -5.954 13 HA ALA 2 HA ALA 2 38.598 -33.924 -3.262 14 HB1 ALA 2 HB1 ALA 2 41.034 -34.248 -3.197 15 HB2 ALA 2 HB2 ALA 2 40.580 -32.576 -2.875 16 HB3 ALA 2 HB3 ALA 2 41.222 -33.026 -4.456 17 H MET 3 H MET 3 36.771 -33.240 -4.662 18 HA MET 3 HA MET 3 37.026 -30.425 -5.231 19 HB2 MET 3 HB2 MET 3 36.193 -30.515 -7.507 20 HB3 MET 3 HB3 MET 3 37.683 -31.435 -7.383 21 HG2 MET 3 HG2 MET 3 34.951 -32.692 -7.321 22 HG3 MET 3 HG3 MET 3 35.879 -32.450 -8.797 23 HE1 MET 3 HE1 MET 3 38.933 -34.786 -8.314 24 HE2 MET 3 HE2 MET 3 38.820 -33.048 -8.035 25 HE3 MET 3 HE3 MET 3 38.036 -33.771 -9.440 26 H LYS 4 H LYS 4 35.348 -29.509 -4.316 27 HA LYS 4 HA LYS 4 32.686 -30.341 -4.969 28 HB2 LYS 4 HB2 LYS 4 31.928 -30.489 -2.584 29 HB3 LYS 4 HB3 LYS 4 32.927 -31.831 -3.117 30 HG2 LYS 4 HG2 LYS 4 34.789 -31.054 -1.889 31 HG3 LYS 4 HG3 LYS 4 34.034 -29.486 -1.599 32 HD2 LYS 4 HD2 LYS 4 33.996 -31.008 0.376 33 HD3 LYS 4 HD3 LYS 4 32.400 -30.468 -0.147 34 HE2 LYS 4 HE2 LYS 4 32.309 -32.815 0.375 35 HE3 LYS 4 HE3 LYS 4 32.117 -32.604 -1.363 36 HZ1 LYS 4 HZ1 LYS 4 34.480 -33.157 -1.624 37 HZ2 LYS 4 HZ2 LYS 4 33.601 -34.420 -0.917 38 HZ3 LYS 4 HZ3 LYS 4 34.596 -33.436 0.042 39 H ASP 5 H ASP 5 34.503 -28.045 -5.209 40 HA ASP 5 HA ASP 5 33.647 -25.970 -3.473 41 HB2 ASP 5 HB2 ASP 5 34.740 -24.462 -5.072 42 HB3 ASP 5 HB3 ASP 5 35.764 -25.849 -4.712 43 H VAL 6 H VAL 6 32.159 -24.315 -3.848 44 HA VAL 6 HA VAL 6 30.187 -24.915 -5.947 45 HB VAL 6 HB VAL 6 29.300 -25.607 -3.789 46 HG11 VAL 6 HG11 VAL 6 29.751 -22.757 -2.918 47 HG12 VAL 6 HG12 VAL 6 30.609 -24.180 -2.328 48 HG13 VAL 6 HG13 VAL 6 28.887 -23.986 -1.995 49 HG21 VAL 6 HG21 VAL 6 28.010 -23.092 -4.840 50 HG22 VAL 6 HG22 VAL 6 27.235 -24.259 -3.767 51 HG23 VAL 6 HG23 VAL 6 27.718 -24.741 -5.393 52 H VAL 7 H VAL 7 29.471 -23.250 -7.142 53 HA VAL 7 HA VAL 7 30.185 -20.540 -6.270 54 HB VAL 7 HB VAL 7 31.673 -21.158 -8.096 55 HG11 VAL 7 HG11 VAL 7 29.186 -21.632 -9.730 56 HG12 VAL 7 HG12 VAL 7 30.311 -22.868 -9.168 57 HG13 VAL 7 HG13 VAL 7 30.843 -21.657 -10.335 58 HG21 VAL 7 HG21 VAL 7 29.555 -19.196 -8.969 59 HG22 VAL 7 HG22 VAL 7 31.180 -19.319 -9.643 60 HG23 VAL 7 HG23 VAL 7 30.957 -18.842 -7.961 61 H ASP 8 H ASP 8 28.501 -19.265 -6.024 62 HA ASP 8 HA ASP 8 26.206 -19.567 -7.814 63 HB2 ASP 8 HB2 ASP 8 24.584 -19.409 -6.044 64 HB3 ASP 8 HB3 ASP 8 25.656 -20.751 -5.673 65 H LYS 9 H LYS 9 24.853 -17.709 -7.888 66 HA LYS 9 HA LYS 9 26.508 -15.302 -7.558 67 HB2 LYS 9 HB2 LYS 9 24.371 -15.946 -9.603 68 HB3 LYS 9 HB3 LYS 9 25.177 -14.398 -9.461 69 HG2 LYS 9 HG2 LYS 9 26.210 -15.535 -11.250 70 HG3 LYS 9 HG3 LYS 9 27.345 -15.596 -9.904 71 HD2 LYS 9 HD2 LYS 9 26.635 -17.880 -9.400 72 HD3 LYS 9 HD3 LYS 9 25.467 -17.817 -10.717 73 HE2 LYS 9 HE2 LYS 9 28.434 -17.471 -11.098 74 HE3 LYS 9 HE3 LYS 9 27.604 -19.020 -11.236 75 HZ1 LYS 9 HZ1 LYS 9 27.846 -18.082 -13.404 76 HZ2 LYS 9 HZ2 LYS 9 27.166 -16.607 -12.915 77 HZ3 LYS 9 HZ3 LYS 9 26.203 -18.002 -12.986 78 H CYS 10 H CYS 10 25.804 -13.827 -6.178 79 HA CYS 10 HA CYS 10 22.971 -13.274 -5.946 80 HG CYS 10 HG CYS 10 22.321 -13.900 -1.890 81 HB2 CYS 10 HB2 CYS 10 23.332 -15.029 -4.234 82 HB3 CYS 10 HB3 CYS 10 24.590 -14.039 -3.502 83 H SER 11 H SER 11 23.417 -11.280 -6.795 84 HA SER 11 HA SER 11 24.453 -9.362 -4.882 85 HG SER 11 HG SER 11 26.346 -10.700 -5.387 86 HB2 SER 11 HB2 SER 11 25.602 -9.524 -7.686 87 HB3 SER 11 HB3 SER 11 25.981 -8.295 -6.478 88 H THR 12 H THR 12 22.313 -8.659 -4.779 89 HA THR 12 HA THR 12 21.453 -7.068 -7.059 90 HB THR 12 HB THR 12 20.386 -9.170 -7.554 91 HG1 THR 12 HG1 THR 12 18.938 -7.666 -8.084 92 HG21 THR 12 HG21 THR 12 20.445 -10.210 -5.362 93 HG22 THR 12 HG22 THR 12 18.800 -10.228 -5.998 94 HG23 THR 12 HG23 THR 12 19.252 -9.058 -4.759 95 H LYS 13 H LYS 13 20.899 -5.171 -6.370 96 HA LYS 13 HA LYS 13 19.318 -4.928 -3.905 97 HB2 LYS 13 HB2 LYS 13 21.560 -3.052 -4.714 98 HB3 LYS 13 HB3 LYS 13 20.470 -2.812 -3.354 99 HG2 LYS 13 HG2 LYS 13 21.337 -4.971 -2.407 100 HG3 LYS 13 HG3 LYS 13 22.558 -4.953 -3.679 101 HD2 LYS 13 HD2 LYS 13 22.156 -2.846 -1.553 102 HD3 LYS 13 HD3 LYS 13 23.457 -4.037 -1.608 103 HE2 LYS 13 HE2 LYS 13 24.226 -3.058 -3.729 104 HE3 LYS 13 HE3 LYS 13 22.948 -1.849 -3.617 105 HZ1 LYS 13 HZ1 LYS 13 24.901 -0.847 -2.795 106 HZ2 LYS 13 HZ2 LYS 13 25.293 -2.184 -1.836 107 HZ3 LYS 13 HZ3 LYS 13 23.969 -1.206 -1.424 108 H GLY 14 H GLY 14 18.105 -2.768 -3.904 109 HA2 GLY 14 HA2 GLY 14 17.785 -1.226 -6.194 110 HA3 GLY 14 HA3 GLY 14 16.707 -2.597 -6.374 111 H CYS 15 H CYS 15 17.130 -1.693 -3.116 112 HA CYS 15 HA CYS 15 14.461 -0.538 -3.077 113 HG CYS 15 HG CYS 15 13.415 -1.528 0.266 114 HB2 CYS 15 HB2 CYS 15 15.269 -2.191 -1.343 115 HB3 CYS 15 HB3 CYS 15 16.367 -0.944 -0.759 116 H ALA 16 H ALA 16 14.515 1.494 -3.902 117 HA ALA 16 HA ALA 16 16.846 3.163 -3.441 118 HB1 ALA 16 HB1 ALA 16 15.932 2.978 -5.690 119 HB2 ALA 16 HB2 ALA 16 15.858 4.643 -5.110 120 HB3 ALA 16 HB3 ALA 16 14.401 3.650 -5.133 121 H ILE 17 H ILE 17 13.452 3.086 -2.504 122 HA ILE 17 HA ILE 17 13.902 5.606 -1.056 123 HB ILE 17 HB ILE 17 11.351 5.918 -1.343 124 HG12 ILE 17 HG12 ILE 17 10.596 5.048 -3.619 125 HG13 ILE 17 HG13 ILE 17 11.965 3.948 -3.554 126 HG21 ILE 17 HG21 ILE 17 13.018 7.402 -2.287 127 HG22 ILE 17 HG22 ILE 17 11.700 7.148 -3.430 128 HG23 ILE 17 HG23 ILE 17 13.237 6.315 -3.658 129 HD11 ILE 17 HD11 ILE 17 9.659 4.032 -1.618 130 HD12 ILE 17 HD12 ILE 17 11.043 2.943 -1.514 131 HD13 ILE 17 HD13 ILE 17 9.931 2.829 -2.879 132 H ASP 18 H ASP 18 12.510 5.996 0.766 133 HA ASP 18 HA ASP 18 11.044 3.749 1.881 134 HB2 ASP 18 HB2 ASP 18 13.116 3.367 3.006 135 HB3 ASP 18 HB3 ASP 18 13.353 5.089 3.301 136 H ILE 19 H ILE 19 9.152 4.474 2.590 137 HA ILE 19 HA ILE 19 8.826 7.378 2.861 138 HB ILE 19 HB ILE 19 6.609 5.337 2.628 139 HG12 ILE 19 HG12 ILE 19 8.011 5.125 0.643 140 HG13 ILE 19 HG13 ILE 19 6.505 5.932 0.225 141 HG21 ILE 19 HG21 ILE 19 6.680 8.311 2.109 142 HG22 ILE 19 HG22 ILE 19 5.949 7.517 3.504 143 HG23 ILE 19 HG23 ILE 19 5.279 7.262 1.892 144 HD11 ILE 19 HD11 ILE 19 7.650 8.088 0.247 145 HD12 ILE 19 HD12 ILE 19 8.399 6.964 -0.888 146 HD13 ILE 19 HD13 ILE 19 9.159 7.280 0.672 147 H GLY 20 H GLY 20 9.027 4.542 4.704 148 HA2 GLY 20 HA2 GLY 20 8.639 4.065 6.915 149 HA3 GLY 20 HA3 GLY 20 8.556 5.804 7.176 150 H THR 21 H THR 21 6.444 3.861 5.121 151 HA THR 21 HA THR 21 4.142 5.057 6.375 152 HB THR 21 HB THR 21 4.097 2.918 4.269 153 HG1 THR 21 HG1 THR 21 4.918 5.566 4.126 154 HG21 THR 21 HG21 THR 21 1.942 3.449 5.263 155 HG22 THR 21 HG22 THR 21 2.003 4.067 3.611 156 HG23 THR 21 HG23 THR 21 2.209 5.167 4.975 157 H VAL 22 H VAL 22 4.526 4.112 8.442 158 HA VAL 22 HA VAL 22 3.292 1.461 8.656 159 HB VAL 22 HB VAL 22 4.589 1.273 10.864 160 HG11 VAL 22 HG11 VAL 22 6.561 0.333 9.733 161 HG12 VAL 22 HG12 VAL 22 6.065 1.130 8.241 162 HG13 VAL 22 HG13 VAL 22 5.055 -0.133 8.942 163 HG21 VAL 22 HG21 VAL 22 5.395 3.562 11.009 164 HG22 VAL 22 HG22 VAL 22 6.278 3.364 9.497 165 HG23 VAL 22 HG23 VAL 22 6.753 2.440 10.923 166 H ILE 23 H ILE 23 1.262 2.380 8.887 167 HA ILE 23 HA ILE 23 0.679 3.397 11.527 168 HB ILE 23 HB ILE 23 1.185 5.477 10.406 169 HG12 ILE 23 HG12 ILE 23 -1.031 6.635 10.586 170 HG13 ILE 23 HG13 ILE 23 -1.788 5.053 10.743 171 HG21 ILE 23 HG21 ILE 23 0.929 4.810 8.104 172 HG22 ILE 23 HG22 ILE 23 -0.063 6.234 8.425 173 HG23 ILE 23 HG23 ILE 23 -0.816 4.643 8.314 174 HD11 ILE 23 HD11 ILE 23 0.257 6.206 12.624 175 HD12 ILE 23 HD12 ILE 23 -0.553 4.648 12.790 176 HD13 ILE 23 HD13 ILE 23 -1.482 6.143 12.901 177 H ASP 24 H ASP 24 -1.163 2.585 12.219 178 HA ASP 24 HA ASP 24 -3.137 1.506 12.342 179 HB2 ASP 24 HB2 ASP 24 -4.085 3.418 11.208 180 HB3 ASP 24 HB3 ASP 24 -3.601 2.780 9.639 181 H ASN 25 H ASN 25 -2.275 -0.538 12.390 182 HA ASN 25 HA ASN 25 -3.097 -2.221 10.217 183 HB2 ASN 25 HB2 ASN 25 -0.960 -3.221 9.713 184 HB3 ASN 25 HB3 ASN 25 -0.825 -1.484 9.473 185 HD21 ASN 25 HD21 ASN 25 0.150 -4.203 11.362 186 HD22 ASN 25 HD22 ASN 25 1.409 -3.413 12.251 187 H ASP 26 H ASP 26 -2.971 -4.478 10.772 188 HA ASP 26 HA ASP 26 -2.094 -5.266 13.404 189 HB2 ASP 26 HB2 ASP 26 -4.263 -4.479 14.066 190 HB3 ASP 26 HB3 ASP 26 -5.033 -5.233 12.673 191 H ASN 27 H ASN 27 -4.337 -6.289 10.865 192 HA ASN 27 HA ASN 27 -2.956 -8.842 10.619 193 HB2 ASN 27 HB2 ASN 27 -4.761 -9.438 9.086 194 HB3 ASN 27 HB3 ASN 27 -5.422 -8.814 10.591 195 HD21 ASN 27 HD21 ASN 27 -6.578 -8.994 7.911 196 HD22 ASN 27 HD22 ASN 27 -7.072 -7.385 7.512 197 H CYS 28 H CYS 28 -3.172 -9.371 7.969 198 HA CYS 28 HA CYS 28 -1.319 -7.417 6.816 199 HG CYS 28 HG CYS 28 -0.575 -10.882 8.307 200 HB2 CYS 28 HB2 CYS 28 -1.789 -10.307 6.036 201 HB3 CYS 28 HB3 CYS 28 -0.567 -9.238 5.356 202 H THR 29 H THR 29 -3.468 -6.248 6.528 203 HA THR 29 HA THR 29 -4.348 -6.717 3.785 204 HB THR 29 HB THR 29 -6.269 -6.445 6.107 205 HG1 THR 29 HG1 THR 29 -5.207 -8.569 5.239 206 HG21 THR 29 HG21 THR 29 -8.056 -6.577 4.430 207 HG22 THR 29 HG22 THR 29 -6.851 -6.535 3.142 208 HG23 THR 29 HG23 THR 29 -7.063 -5.138 4.199 209 H SER 30 H SER 30 -4.292 -4.958 2.668 210 HA SER 30 HA SER 30 -4.257 -2.354 3.992 211 HG SER 30 HG SER 30 -1.693 -1.866 2.497 212 HB2 SER 30 HB2 SER 30 -3.593 -3.227 1.169 213 HB3 SER 30 HB3 SER 30 -3.596 -1.551 1.699 214 H LYS 31 H LYS 31 -6.258 -1.660 4.355 215 HA LYS 31 HA LYS 31 -8.277 -1.994 2.272 216 HB2 LYS 31 HB2 LYS 31 -9.949 -1.422 3.928 217 HB3 LYS 31 HB3 LYS 31 -8.933 -2.715 4.533 218 HG2 LYS 31 HG2 LYS 31 -8.748 0.184 5.321 219 HG3 LYS 31 HG3 LYS 31 -9.482 -1.107 6.270 220 HD2 LYS 31 HD2 LYS 31 -7.219 -2.245 6.182 221 HD3 LYS 31 HD3 LYS 31 -6.586 -0.729 5.558 222 HE2 LYS 31 HE2 LYS 31 -6.235 -0.867 7.955 223 HE3 LYS 31 HE3 LYS 31 -7.354 0.434 7.564 224 HZ1 LYS 31 HZ1 LYS 31 -7.936 -1.053 9.507 225 HZ2 LYS 31 HZ2 LYS 31 -8.301 -2.255 8.364 226 HZ3 LYS 31 HZ3 LYS 31 -9.160 -0.789 8.361 227 H PHE 32 H PHE 32 -8.495 -0.489 0.913 228 HA PHE 32 HA PHE 32 -7.796 2.287 1.621 229 HD1 PHE 32 HD2 PHE 32 -5.815 3.757 0.494 230 HD2 PHE 32 HD1 PHE 32 -8.294 2.353 -2.666 231 HE1 PHE 32 HE2 PHE 32 -5.573 5.921 -0.653 232 HE2 PHE 32 HE1 PHE 32 -8.054 4.511 -3.817 233 HZ PHE 32 HZ PHE 32 -6.692 6.298 -2.814 234 HB2 PHE 32 HB2 PHE 32 -6.227 1.291 0.024 235 HB3 PHE 32 HB3 PHE 32 -7.558 0.867 -1.042 236 H SER 33 H SER 33 -9.512 3.553 1.748 237 HA SER 33 HA SER 33 -11.750 3.090 -0.115 238 HG SER 33 HG SER 33 -12.848 1.845 2.141 239 HB2 SER 33 HB2 SER 33 -11.945 4.481 2.563 240 HB3 SER 33 HB3 SER 33 -13.263 3.896 1.549 241 H ARG 34 H ARG 34 -11.859 4.611 -1.647 242 HA ARG 34 HA ARG 34 -11.366 7.401 -0.906 243 HE ARG 34 HE ARG 34 -8.734 10.565 -2.958 244 HB2 ARG 34 HB2 ARG 34 -9.341 6.097 -2.027 245 HB3 ARG 34 HB3 ARG 34 -10.231 6.443 -3.496 246 HG2 ARG 34 HG2 ARG 34 -9.529 8.618 -1.559 247 HG3 ARG 34 HG3 ARG 34 -8.371 8.053 -2.760 248 HD2 ARG 34 HD2 ARG 34 -10.016 8.563 -4.533 249 HD3 ARG 34 HD3 ARG 34 -11.101 9.212 -3.302 250 HH11 ARG 34 HH11 ARG 34 -11.067 10.162 -5.539 251 HH12 ARG 34 HH12 ARG 34 -10.691 11.681 -6.298 252 HH21 ARG 34 HH21 ARG 34 -8.220 12.570 -3.972 253 HH22 ARG 34 HH22 ARG 34 -9.093 13.054 -5.400 254 H PHE 35 H PHE 35 -12.588 8.842 -2.065 255 HA PHE 35 HA PHE 35 -14.809 7.656 -3.530 256 HD1 PHE 35 HD1 PHE 35 -17.147 8.175 -2.169 257 HD2 PHE 35 HD2 PHE 35 -13.973 10.341 -0.343 258 HE1 PHE 35 HE1 PHE 35 -18.029 7.587 0.051 259 HE2 PHE 35 HE2 PHE 35 -14.852 9.755 1.881 260 HZ PHE 35 HZ PHE 35 -16.879 8.375 2.077 261 HB2 PHE 35 HB2 PHE 35 -14.322 10.515 -2.658 262 HB3 PHE 35 HB3 PHE 35 -15.803 9.915 -3.399 263 H PHE 36 H PHE 36 -15.184 7.917 -5.673 264 HA PHE 36 HA PHE 36 -13.254 9.565 -7.166 265 HD1 PHE 36 HD2 PHE 36 -11.151 8.805 -8.291 266 HD2 PHE 36 HD1 PHE 36 -12.973 5.336 -6.635 267 HE1 PHE 36 HE2 PHE 36 -8.949 8.021 -7.530 268 HE2 PHE 36 HE1 PHE 36 -10.771 4.544 -5.867 269 HZ PHE 36 HZ PHE 36 -8.760 5.889 -6.316 270 HB2 PHE 36 HB2 PHE 36 -14.263 6.805 -7.852 271 HB3 PHE 36 HB3 PHE 36 -13.476 7.857 -9.025 272 H ALA 37 H ALA 37 -14.026 10.129 -9.370 273 HA ALA 37 HA ALA 37 -16.355 11.628 -9.200 274 HB1 ALA 37 HB1 ALA 37 -16.103 12.019 -11.588 275 HB2 ALA 37 HB2 ALA 37 -14.967 10.674 -11.698 276 HB3 ALA 37 HB3 ALA 37 -14.547 12.109 -10.762 277 H THR 38 H THR 38 -15.873 8.563 -10.950 278 HA THR 38 HA THR 38 -18.724 8.005 -10.595 279 HB THR 38 HB THR 38 -18.667 7.002 -12.970 280 HG1 THR 38 HG1 THR 38 -16.801 9.029 -13.551 281 HG21 THR 38 HG21 THR 38 -18.667 10.002 -12.615 282 HG22 THR 38 HG22 THR 38 -20.045 8.930 -12.362 283 HG23 THR 38 HG23 THR 38 -19.365 9.127 -13.977 284 H ARG 39 H ARG 39 -19.199 5.675 -11.259 285 HA ARG 39 HA ARG 39 -17.605 3.910 -9.787 286 HE ARG 39 HE ARG 39 -21.041 2.772 -14.638 287 HB2 ARG 39 HB2 ARG 39 -18.977 2.143 -10.703 288 HB3 ARG 39 HB3 ARG 39 -19.995 3.540 -10.392 289 HG2 ARG 39 HG2 ARG 39 -20.011 4.117 -12.725 290 HG3 ARG 39 HG3 ARG 39 -18.871 2.822 -13.090 291 HD2 ARG 39 HD2 ARG 39 -20.572 1.207 -12.215 292 HD3 ARG 39 HD3 ARG 39 -21.707 2.554 -12.119 293 HH11 ARG 39 HH11 ARG 39 -21.698 -0.139 -12.802 294 HH12 ARG 39 HH12 ARG 39 -22.141 -1.077 -14.204 295 HH21 ARG 39 HH21 ARG 39 -21.618 1.549 -16.477 296 HH22 ARG 39 HH22 ARG 39 -22.107 -0.110 -16.298 297 H GLU 40 H GLU 40 -17.453 4.930 -13.100 298 HA GLU 40 HA GLU 40 -15.791 2.953 -14.186 299 HB2 GLU 40 HB2 GLU 40 -15.969 5.892 -14.834 300 HB3 GLU 40 HB3 GLU 40 -15.184 4.680 -15.833 301 HG2 GLU 40 HG2 GLU 40 -17.340 3.534 -16.083 302 HG3 GLU 40 HG3 GLU 40 -18.108 4.816 -15.148 303 H GLU 41 H GLU 41 -15.078 5.998 -12.586 304 HA GLU 41 HA GLU 41 -12.294 6.001 -12.884 305 HB2 GLU 41 HB2 GLU 41 -13.947 7.178 -10.643 306 HB3 GLU 41 HB3 GLU 41 -12.283 7.599 -11.010 307 HG2 GLU 41 HG2 GLU 41 -14.678 8.076 -12.767 308 HG3 GLU 41 HG3 GLU 41 -13.788 9.289 -11.848 309 H ALA 42 H ALA 42 -14.384 4.317 -10.702 310 HA ALA 42 HA ALA 42 -12.429 3.672 -8.724 311 HB1 ALA 42 HB1 ALA 42 -15.035 2.285 -9.353 312 HB2 ALA 42 HB2 ALA 42 -14.840 3.648 -8.252 313 HB3 ALA 42 HB3 ALA 42 -14.084 2.099 -7.878 314 H GLU 43 H GLU 43 -13.914 1.809 -11.363 315 HA GLU 43 HA GLU 43 -12.287 -0.463 -11.187 316 HB2 GLU 43 HB2 GLU 43 -13.824 0.813 -13.432 317 HB3 GLU 43 HB3 GLU 43 -12.880 -0.647 -13.697 318 HG2 GLU 43 HG2 GLU 43 -14.929 -0.495 -11.520 319 HG3 GLU 43 HG3 GLU 43 -15.379 -0.874 -13.183 320 H SER 44 H SER 44 -11.816 2.626 -12.750 321 HA SER 44 HA SER 44 -9.601 1.938 -14.347 322 HG SER 44 HG SER 44 -12.029 3.793 -14.515 323 HB2 SER 44 HB2 SER 44 -10.394 4.633 -13.219 324 HB3 SER 44 HB3 SER 44 -9.242 4.371 -14.530 325 H PHE 45 H PHE 45 -9.860 2.773 -10.950 326 HA PHE 45 HA PHE 45 -7.006 3.237 -10.728 327 HD1 PHE 45 HD2 PHE 45 -6.398 5.441 -9.226 328 HD2 PHE 45 HD1 PHE 45 -7.734 2.283 -6.707 329 HE1 PHE 45 HE2 PHE 45 -4.575 5.933 -7.647 330 HE2 PHE 45 HE1 PHE 45 -5.918 2.770 -5.122 331 HZ PHE 45 HZ PHE 45 -4.335 4.594 -5.592 332 HB2 PHE 45 HB2 PHE 45 -8.717 4.474 -9.358 333 HB3 PHE 45 HB3 PHE 45 -9.052 2.966 -8.516 334 H MET 46 H MET 46 -9.288 0.673 -10.329 335 HA MET 46 HA MET 46 -7.741 -0.907 -8.531 336 HB2 MET 46 HB2 MET 46 -10.169 -1.088 -8.615 337 HB3 MET 46 HB3 MET 46 -10.091 -1.640 -10.282 338 HG2 MET 46 HG2 MET 46 -10.484 -3.457 -8.672 339 HG3 MET 46 HG3 MET 46 -9.012 -3.675 -9.616 340 HE1 MET 46 HE1 MET 46 -8.878 -2.043 -5.307 341 HE2 MET 46 HE2 MET 46 -10.394 -2.344 -6.156 342 HE3 MET 46 HE3 MET 46 -9.299 -1.085 -6.726 343 H THR 47 H THR 47 -8.180 -0.912 -12.043 344 HA THR 47 HA THR 47 -7.166 -3.408 -12.652 345 HB THR 47 HB THR 47 -6.718 -0.933 -14.317 346 HG1 THR 47 HG1 THR 47 -8.789 -1.064 -14.925 347 HG21 THR 47 HG21 THR 47 -7.092 -3.834 -15.070 348 HG22 THR 47 HG22 THR 47 -5.568 -2.948 -15.105 349 HG23 THR 47 HG23 THR 47 -6.879 -2.493 -16.195 350 H LYS 48 H LYS 48 -5.299 -0.354 -12.656 351 HA LYS 48 HA LYS 48 -2.838 -1.651 -13.129 352 HB2 LYS 48 HB2 LYS 48 -1.810 0.513 -12.609 353 HB3 LYS 48 HB3 LYS 48 -3.135 0.640 -13.753 354 HG2 LYS 48 HG2 LYS 48 -4.590 1.259 -11.772 355 HG3 LYS 48 HG3 LYS 48 -3.083 1.453 -10.874 356 HD2 LYS 48 HD2 LYS 48 -3.912 2.922 -13.371 357 HD3 LYS 48 HD3 LYS 48 -3.741 3.581 -11.751 358 HE2 LYS 48 HE2 LYS 48 -1.454 2.353 -13.268 359 HE3 LYS 48 HE3 LYS 48 -1.847 4.068 -13.352 360 HZ1 LYS 48 HZ1 LYS 48 -0.091 3.334 -11.689 361 HZ2 LYS 48 HZ2 LYS 48 -1.375 2.732 -10.764 362 HZ3 LYS 48 HZ3 LYS 48 -1.302 4.383 -11.135 363 H LEU 49 H LEU 49 -4.586 -0.940 -10.219 364 HA LEU 49 HA LEU 49 -2.403 -1.313 -8.423 365 HG LEU 49 HG LEU 49 -4.835 0.484 -6.388 366 HB2 LEU 49 HB2 LEU 49 -5.327 -1.006 -8.203 367 HB3 LEU 49 HB3 LEU 49 -4.570 -1.928 -6.917 368 HD11 LEU 49 HD11 LEU 49 -1.993 -0.510 -6.563 369 HD12 LEU 49 HD12 LEU 49 -3.137 -0.829 -5.259 370 HD13 LEU 49 HD13 LEU 49 -2.560 0.812 -5.544 371 HD21 LEU 49 HD21 LEU 49 -4.477 1.399 -8.624 372 HD22 LEU 49 HD22 LEU 49 -2.794 0.875 -8.577 373 HD23 LEU 49 HD23 LEU 49 -3.362 2.113 -7.458 374 H LYS 50 H LYS 50 -4.671 -3.475 -10.000 375 HA LYS 50 HA LYS 50 -4.253 -5.791 -8.496 376 HB2 LYS 50 HB2 LYS 50 -4.753 -5.405 -11.445 377 HB3 LYS 50 HB3 LYS 50 -4.782 -6.971 -10.654 378 HG2 LYS 50 HG2 LYS 50 -6.781 -6.588 -9.652 379 HG3 LYS 50 HG3 LYS 50 -6.501 -4.849 -9.511 380 HD2 LYS 50 HD2 LYS 50 -7.152 -4.432 -11.687 381 HD3 LYS 50 HD3 LYS 50 -6.838 -6.085 -12.201 382 HE2 LYS 50 HE2 LYS 50 -8.786 -6.848 -10.943 383 HE3 LYS 50 HE3 LYS 50 -9.081 -5.199 -10.391 384 HZ1 LYS 50 HZ1 LYS 50 -10.425 -6.019 -12.352 385 HZ2 LYS 50 HZ2 LYS 50 -9.000 -5.897 -13.266 386 HZ3 LYS 50 HZ3 LYS 50 -9.664 -4.517 -12.533 387 H GLU 51 H GLU 51 -2.427 -4.426 -11.190 388 HA GLU 51 HA GLU 51 -0.550 -6.481 -11.532 389 HB2 GLU 51 HB2 GLU 51 -0.074 -3.519 -11.944 390 HB3 GLU 51 HB3 GLU 51 0.792 -4.843 -12.711 391 HG2 GLU 51 HG2 GLU 51 -1.276 -5.506 -13.860 392 HG3 GLU 51 HG3 GLU 51 -2.106 -4.137 -13.123 393 H LEU 52 H LEU 52 -0.604 -3.661 -9.447 394 HA LEU 52 HA LEU 52 2.021 -3.988 -8.408 395 HG LEU 52 HG LEU 52 0.493 -1.578 -9.509 396 HB2 LEU 52 HB2 LEU 52 -0.361 -2.457 -7.356 397 HB3 LEU 52 HB3 LEU 52 1.254 -2.345 -6.693 398 HD11 LEU 52 HD11 LEU 52 1.110 0.158 -7.123 399 HD12 LEU 52 HD12 LEU 52 -0.481 -0.073 -7.844 400 HD13 LEU 52 HD13 LEU 52 0.797 0.719 -8.767 401 HD21 LEU 52 HD21 LEU 52 2.789 -2.322 -9.358 402 HD22 LEU 52 HD22 LEU 52 3.066 -1.271 -7.968 403 HD23 LEU 52 HD23 LEU 52 2.737 -0.569 -9.552 404 H ALA 53 H ALA 53 -1.203 -4.881 -7.240 405 HA ALA 53 HA ALA 53 -0.436 -5.721 -4.666 406 HB1 ALA 53 HB1 ALA 53 -2.611 -6.800 -4.560 407 HB2 ALA 53 HB2 ALA 53 -2.795 -6.628 -6.306 408 HB3 ALA 53 HB3 ALA 53 -2.742 -5.195 -5.277 409 H ALA 54 H ALA 54 -0.724 -7.495 -7.712 410 HA ALA 54 HA ALA 54 -0.374 -10.073 -6.674 411 HB1 ALA 54 HB1 ALA 54 -1.170 -9.635 -8.950 412 HB2 ALA 54 HB2 ALA 54 0.199 -10.746 -8.935 413 HB3 ALA 54 HB3 ALA 54 0.439 -9.061 -9.395 414 H ALA 55 H ALA 55 1.997 -7.746 -7.888 415 HA ALA 55 HA ALA 55 4.221 -9.498 -7.470 416 HB1 ALA 55 HB1 ALA 55 4.232 -7.790 -9.222 417 HB2 ALA 55 HB2 ALA 55 5.587 -7.590 -8.111 418 HB3 ALA 55 HB3 ALA 55 4.182 -6.531 -7.988 419 H ALA 56 H ALA 56 2.422 -7.389 -5.494 420 HA ALA 56 HA ALA 56 4.437 -6.603 -3.665 421 HB1 ALA 56 HB1 ALA 56 1.469 -6.871 -3.201 422 HB2 ALA 56 HB2 ALA 56 2.288 -5.446 -3.843 423 HB3 ALA 56 HB3 ALA 56 2.605 -5.978 -2.192 424 H SER 57 H SER 57 2.297 -9.407 -3.835 425 HA SER 57 HA SER 57 3.515 -10.450 -1.379 426 HG SER 57 HG SER 57 1.340 -9.372 -1.293 427 HB2 SER 57 HB2 SER 57 1.080 -11.431 -2.882 428 HB3 SER 57 HB3 SER 57 1.673 -12.078 -1.351 429 H SER 58 H SER 58 3.297 -10.964 -4.781 430 HA SER 58 HA SER 58 4.568 -12.163 -6.220 431 HG SER 58 HG SER 58 6.469 -10.826 -3.973 432 HB2 SER 58 HB2 SER 58 6.148 -12.951 -3.767 433 HB3 SER 58 HB3 SER 58 6.647 -13.219 -5.436 434 H ALA 59 H ALA 59 2.977 -13.701 -3.614 435 HA ALA 59 HA ALA 59 3.493 -16.394 -4.450 436 HB1 ALA 59 HB1 ALA 59 1.432 -15.339 -2.521 437 HB2 ALA 59 HB2 ALA 59 3.053 -15.896 -2.110 438 HB3 ALA 59 HB3 ALA 59 1.865 -17.034 -2.746 439 H ASP 60 H ASP 60 2.874 -15.844 -6.710 440 HA ASP 60 HA ASP 60 1.568 -16.235 -8.515 441 HB2 ASP 60 HB2 ASP 60 -0.025 -17.800 -6.486 442 HB3 ASP 60 HB3 ASP 60 -0.376 -17.807 -8.211 443 H GLU 61 H GLU 61 -1.155 -16.271 -6.315 444 HA GLU 61 HA GLU 61 -2.559 -14.312 -7.907 445 HB2 GLU 61 HB2 GLU 61 -3.435 -15.556 -5.299 446 HB3 GLU 61 HB3 GLU 61 -4.452 -14.875 -6.560 447 HG2 GLU 61 HG2 GLU 61 -4.323 -16.731 -7.866 448 HG3 GLU 61 HG3 GLU 61 -2.724 -17.176 -7.267 449 H GLY 62 H GLY 62 -0.582 -14.358 -5.136 450 HA2 GLY 62 HA2 GLY 62 0.017 -12.567 -3.735 451 HA3 GLY 62 HA3 GLY 62 -1.342 -11.643 -4.380 452 H ALA 63 H ALA 63 -3.261 -11.681 -3.344 453 HA ALA 63 HA ALA 63 -4.123 -13.864 -1.763 454 HB1 ALA 63 HB1 ALA 63 -4.223 -12.807 0.413 455 HB2 ALA 63 HB2 ALA 63 -3.415 -11.378 -0.230 456 HB3 ALA 63 HB3 ALA 63 -2.554 -12.915 -0.147 457 H SER 64 H SER 64 -5.988 -12.611 -0.161 458 HA SER 64 HA SER 64 -8.082 -12.385 -1.964 459 HG SER 64 HG SER 64 -8.574 -13.432 1.408 460 HB2 SER 64 HB2 SER 64 -7.900 -11.449 0.900 461 HB3 SER 64 HB3 SER 64 -9.398 -11.572 -0.019 462 H VAL 65 H VAL 65 -8.717 -10.843 -3.263 463 HA VAL 65 HA VAL 65 -8.348 -8.065 -2.373 464 HB VAL 65 HB VAL 65 -6.892 -8.366 -4.268 465 HG11 VAL 65 HG11 VAL 65 -7.863 -10.346 -5.262 466 HG12 VAL 65 HG12 VAL 65 -7.723 -9.068 -6.470 467 HG13 VAL 65 HG13 VAL 65 -9.291 -9.434 -5.748 468 HG21 VAL 65 HG21 VAL 65 -8.072 -6.252 -4.157 469 HG22 VAL 65 HG22 VAL 65 -9.409 -6.927 -5.089 470 HG23 VAL 65 HG23 VAL 65 -7.824 -6.730 -5.839 471 H ALA 66 H ALA 66 -10.200 -7.234 -1.823 472 HA ALA 66 HA ALA 66 -12.582 -7.866 -3.416 473 HB1 ALA 66 HB1 ALA 66 -13.938 -7.925 -1.383 474 HB2 ALA 66 HB2 ALA 66 -12.489 -7.688 -0.405 475 HB3 ALA 66 HB3 ALA 66 -12.686 -9.167 -1.343 476 H TYR 67 H TYR 67 -13.258 -6.033 -4.314 477 HA TYR 67 HA TYR 67 -12.998 -3.592 -2.705 478 HD1 TYR 67 HD1 TYR 67 -11.467 -5.567 -6.079 479 HD2 TYR 67 HD2 TYR 67 -13.872 -2.091 -6.584 480 HE1 TYR 67 HE1 TYR 67 -11.897 -6.206 -8.418 481 HE2 TYR 67 HE2 TYR 67 -14.314 -2.727 -8.911 482 HH TYR 67 HH TYR 67 -13.290 -4.057 -10.677 483 HB2 TYR 67 HB2 TYR 67 -12.478 -2.294 -4.675 484 HB3 TYR 67 HB3 TYR 67 -11.323 -3.607 -4.516 485 H LYS 68 H LYS 68 -14.675 -2.274 -2.602 486 HA LYS 68 HA LYS 68 -17.114 -3.068 -4.036 487 HB2 LYS 68 HB2 LYS 68 -16.755 -1.372 -1.562 488 HB3 LYS 68 HB3 LYS 68 -18.292 -1.641 -2.366 489 HG2 LYS 68 HG2 LYS 68 -18.226 -3.968 -1.843 490 HG3 LYS 68 HG3 LYS 68 -16.599 -3.807 -1.190 491 HD2 LYS 68 HD2 LYS 68 -19.122 -2.555 -0.101 492 HD3 LYS 68 HD3 LYS 68 -18.179 -3.845 0.646 493 HE2 LYS 68 HE2 LYS 68 -16.365 -2.389 1.097 494 HE3 LYS 68 HE3 LYS 68 -17.020 -1.132 0.052 495 HZ1 LYS 68 HZ1 LYS 68 -17.375 -0.552 2.339 496 HZ2 LYS 68 HZ2 LYS 68 -18.151 -2.027 2.652 497 HZ3 LYS 68 HZ3 LYS 68 -18.877 -0.889 1.626 498 H ILE 69 H ILE 69 -18.260 -1.606 -5.150 499 HA ILE 69 HA ILE 69 -17.182 1.133 -5.329 500 HB ILE 69 HB ILE 69 -18.608 -0.364 -7.545 501 HG12 ILE 69 HG12 ILE 69 -15.686 0.403 -7.343 502 HG13 ILE 69 HG13 ILE 69 -16.317 -1.226 -7.129 503 HG21 ILE 69 HG21 ILE 69 -17.954 1.571 -8.929 504 HG22 ILE 69 HG22 ILE 69 -17.317 2.362 -7.487 505 HG23 ILE 69 HG23 ILE 69 -19.042 2.013 -7.613 506 HD11 ILE 69 HD11 ILE 69 -16.460 0.410 -9.649 507 HD12 ILE 69 HD12 ILE 69 -17.107 -1.217 -9.440 508 HD13 ILE 69 HD13 ILE 69 -15.369 -0.939 -9.338 509 H LYS 70 H LYS 70 -18.548 2.206 -4.002 510 HA LYS 70 HA LYS 70 -21.336 1.393 -3.924 511 HB2 LYS 70 HB2 LYS 70 -20.139 1.861 -1.809 512 HB3 LYS 70 HB3 LYS 70 -19.963 3.539 -2.303 513 HG2 LYS 70 HG2 LYS 70 -21.820 3.280 -0.755 514 HG3 LYS 70 HG3 LYS 70 -22.394 3.786 -2.345 515 HD2 LYS 70 HD2 LYS 70 -22.867 1.374 -2.842 516 HD3 LYS 70 HD3 LYS 70 -22.491 1.017 -1.157 517 HE2 LYS 70 HE2 LYS 70 -24.872 1.209 -1.399 518 HE3 LYS 70 HE3 LYS 70 -24.280 2.590 -0.473 519 HZ1 LYS 70 HZ1 LYS 70 -24.930 2.619 -3.379 520 HZ2 LYS 70 HZ2 LYS 70 -24.422 3.947 -2.455 521 HZ3 LYS 70 HZ3 LYS 70 -25.919 3.230 -2.143 522 H ASP 71 H ASP 71 -22.752 2.231 -5.154 523 HA ASP 71 HA ASP 71 -22.267 4.430 -6.865 524 HB2 ASP 71 HB2 ASP 71 -24.591 4.100 -7.573 525 HB3 ASP 71 HB3 ASP 71 -23.753 2.561 -7.473 526 H LEU 72 H LEU 72 -22.146 6.452 -6.126 527 HA LEU 72 HA LEU 72 -24.207 7.346 -4.220 528 HG LEU 72 HG LEU 72 -21.320 6.443 -3.399 529 HB2 LEU 72 HB2 LEU 72 -21.473 8.544 -4.698 530 HB3 LEU 72 HB3 LEU 72 -22.666 9.133 -3.556 531 HD11 LEU 72 HD11 LEU 72 -20.803 8.996 -1.890 532 HD12 LEU 72 HD12 LEU 72 -19.704 8.179 -3.002 533 HD13 LEU 72 HD13 LEU 72 -20.134 7.419 -1.469 534 HD21 LEU 72 HD21 LEU 72 -22.286 6.365 -1.154 535 HD22 LEU 72 HD22 LEU 72 -23.533 6.458 -2.397 536 HD23 LEU 72 HD23 LEU 72 -23.113 7.892 -1.461 537 H GLU 73 H GLU 73 -24.361 9.900 -4.476 538 HA GLU 73 HA GLU 73 -25.249 10.281 -7.214 539 HB2 GLU 73 HB2 GLU 73 -26.704 10.941 -5.318 540 HB3 GLU 73 HB3 GLU 73 -25.498 12.131 -4.834 541 HG2 GLU 73 HG2 GLU 73 -25.762 13.141 -7.131 542 HG3 GLU 73 HG3 GLU 73 -27.162 12.088 -7.331 543 H GLY 74 H GLY 74 -23.615 10.772 -8.563 544 HA2 GLY 74 HA2 GLY 74 -22.367 12.460 -9.622 545 HA3 GLY 74 HA3 GLY 74 -22.337 13.355 -8.112 546 H GLN 75 H GLN 75 -21.566 10.326 -7.251 547 HA GLN 75 HA GLN 75 -18.861 10.117 -8.114 548 HB2 GLN 75 HB2 GLN 75 -17.789 10.517 -5.931 549 HB3 GLN 75 HB3 GLN 75 -18.541 11.975 -6.561 550 HG2 GLN 75 HG2 GLN 75 -20.448 11.638 -5.069 551 HG3 GLN 75 HG3 GLN 75 -19.692 10.173 -4.440 552 HE21 GLN 75 HE21 GLN 75 -17.909 10.345 -3.093 553 HE22 GLN 75 HE22 GLN 75 -17.450 11.836 -2.337 554 H VAL 76 H VAL 76 -17.707 8.445 -6.542 555 HA VAL 76 HA VAL 76 -19.666 6.596 -5.384 556 HB VAL 76 HB VAL 76 -18.554 4.642 -6.389 557 HG11 VAL 76 HG11 VAL 76 -20.579 5.438 -7.423 558 HG12 VAL 76 HG12 VAL 76 -19.464 4.873 -8.668 559 HG13 VAL 76 HG13 VAL 76 -19.667 6.602 -8.385 560 HG21 VAL 76 HG21 VAL 76 -17.082 6.666 -8.065 561 HG22 VAL 76 HG22 VAL 76 -17.049 4.917 -8.295 562 HG23 VAL 76 HG23 VAL 76 -16.378 5.627 -6.826 563 H GLU 77 H GLU 77 -18.675 4.976 -3.992 564 HA GLU 77 HA GLU 77 -16.102 5.883 -2.890 565 HB2 GLU 77 HB2 GLU 77 -17.929 5.799 -1.251 566 HB3 GLU 77 HB3 GLU 77 -18.223 4.112 -1.651 567 HG2 GLU 77 HG2 GLU 77 -15.962 3.557 -0.844 568 HG3 GLU 77 HG3 GLU 77 -15.742 5.241 -0.368 569 H LEU 78 H LEU 78 -14.397 4.772 -3.578 570 HA LEU 78 HA LEU 78 -14.711 1.962 -4.344 571 HG LEU 78 HG LEU 78 -11.777 2.217 -6.607 572 HB2 LEU 78 HB2 LEU 78 -13.523 3.573 -5.857 573 HB3 LEU 78 HB3 LEU 78 -12.297 3.766 -4.624 574 HD11 LEU 78 HD11 LEU 78 -11.463 1.158 -3.799 575 HD12 LEU 78 HD12 LEU 78 -10.388 2.295 -4.610 576 HD13 LEU 78 HD13 LEU 78 -10.535 0.642 -5.207 577 HD21 LEU 78 HD21 LEU 78 -13.898 1.020 -6.640 578 HD22 LEU 78 HD22 LEU 78 -13.576 0.378 -5.029 579 HD23 LEU 78 HD23 LEU 78 -12.549 -0.088 -6.386 580 H ASP 79 H ASP 79 -14.417 0.522 -2.832 581 HA ASP 79 HA ASP 79 -12.547 1.094 -0.619 582 HB2 ASP 79 HB2 ASP 79 -14.861 1.173 0.179 583 HB3 ASP 79 HB3 ASP 79 -15.171 -0.415 -0.512 584 H ALA 80 H ALA 80 -10.802 -0.132 -0.998 585 HA ALA 80 HA ALA 80 -11.260 -2.888 -1.950 586 HB1 ALA 80 HB1 ALA 80 -10.188 -1.488 -3.643 587 HB2 ALA 80 HB2 ALA 80 -9.109 -2.766 -3.084 588 HB3 ALA 80 HB3 ALA 80 -8.888 -1.113 -2.511 589 H ALA 81 H ALA 81 -10.703 -4.425 -0.576 590 HA ALA 81 HA ALA 81 -8.674 -3.827 1.483 591 HB1 ALA 81 HB1 ALA 81 -9.639 -5.711 2.730 592 HB2 ALA 81 HB2 ALA 81 -10.809 -5.966 1.437 593 HB3 ALA 81 HB3 ALA 81 -10.846 -4.475 2.378 594 H PHE 82 H PHE 82 -6.748 -4.397 0.612 595 HA PHE 82 HA PHE 82 -6.508 -6.857 -0.964 596 HD1 PHE 82 HD2 PHE 82 -5.463 -6.071 -3.575 597 HD2 PHE 82 HD1 PHE 82 -5.521 -2.746 -0.916 598 HE1 PHE 82 HE2 PHE 82 -6.252 -4.623 -5.402 599 HE2 PHE 82 HE1 PHE 82 -6.306 -1.296 -2.740 600 HZ PHE 82 HZ PHE 82 -6.673 -2.236 -4.985 601 HB2 PHE 82 HB2 PHE 82 -4.430 -4.751 -0.297 602 HB3 PHE 82 HB3 PHE 82 -4.217 -6.077 -1.428 603 H THR 83 H THR 83 -5.772 -8.719 -0.089 604 HA THR 83 HA THR 83 -4.659 -8.599 2.617 605 HB THR 83 HB THR 83 -5.511 -11.038 1.041 606 HG1 THR 83 HG1 THR 83 -7.005 -9.086 2.035 607 HG21 THR 83 HG21 THR 83 -5.097 -10.607 4.003 608 HG22 THR 83 HG22 THR 83 -4.006 -11.488 2.935 609 HG23 THR 83 HG23 THR 83 -5.630 -12.106 3.237 610 H PHE 84 H PHE 84 -2.646 -9.505 3.110 611 HA PHE 84 HA PHE 84 -0.982 -10.213 0.787 612 HD1 PHE 84 HD1 PHE 84 0.728 -8.163 -0.296 613 HD2 PHE 84 HD2 PHE 84 -1.607 -6.778 2.972 614 HE1 PHE 84 HE1 PHE 84 0.189 -6.122 -1.557 615 HE2 PHE 84 HE2 PHE 84 -2.152 -4.733 1.723 616 HZ PHE 84 HZ PHE 84 -1.257 -4.404 -0.547 617 HB2 PHE 84 HB2 PHE 84 -0.153 -8.639 3.234 618 HB3 PHE 84 HB3 PHE 84 0.929 -9.149 1.939 619 H SER 85 H SER 85 0.532 -11.843 1.080 620 HA SER 85 HA SER 85 -0.165 -13.887 2.885 621 HG SER 85 HG SER 85 0.326 -15.018 0.312 622 HB2 SER 85 HB2 SER 85 2.462 -13.605 1.417 623 HB3 SER 85 HB3 SER 85 1.690 -15.096 1.957 624 H CYS 86 H CYS 86 2.127 -11.274 3.055 625 HA CYS 86 HA CYS 86 2.813 -12.064 5.795 626 HG CYS 86 HG CYS 86 5.991 -13.241 3.176 627 HB2 CYS 86 HB2 CYS 86 4.824 -10.977 3.812 628 HB3 CYS 86 HB3 CYS 86 5.141 -11.531 5.450 629 H GLN 87 H GLN 87 3.673 -10.211 7.055 630 HA GLN 87 HA GLN 87 2.162 -7.841 6.500 631 HB2 GLN 87 HB2 GLN 87 2.469 -8.579 8.803 632 HB3 GLN 87 HB3 GLN 87 4.213 -8.400 8.650 633 HG2 GLN 87 HG2 GLN 87 4.083 -6.072 8.582 634 HG3 GLN 87 HG3 GLN 87 2.358 -6.082 8.227 635 HE21 GLN 87 HE21 GLN 87 0.899 -6.563 9.914 636 HE22 GLN 87 HE22 GLN 87 1.359 -6.411 11.573 637 H ALA 88 H ALA 88 5.432 -8.911 6.042 638 HA ALA 88 HA ALA 88 6.683 -6.482 5.469 639 HB1 ALA 88 HB1 ALA 88 7.134 -9.135 4.099 640 HB2 ALA 88 HB2 ALA 88 7.861 -8.640 5.628 641 HB3 ALA 88 HB3 ALA 88 8.255 -7.775 4.142 642 H GLU 89 H GLU 89 4.749 -8.614 3.407 643 HA GLU 89 HA GLU 89 4.981 -7.158 1.011 644 HB2 GLU 89 HB2 GLU 89 2.422 -8.569 1.648 645 HB3 GLU 89 HB3 GLU 89 3.340 -8.550 0.152 646 HG2 GLU 89 HG2 GLU 89 3.999 -10.095 2.647 647 HG3 GLU 89 HG3 GLU 89 3.375 -10.745 1.135 648 H MET 90 H MET 90 2.766 -6.969 3.719 649 HA MET 90 HA MET 90 0.889 -5.144 2.832 650 HB2 MET 90 HB2 MET 90 0.610 -6.247 4.939 651 HB3 MET 90 HB3 MET 90 2.117 -5.584 5.555 652 HG2 MET 90 HG2 MET 90 0.539 -4.309 6.624 653 HG3 MET 90 HG3 MET 90 0.957 -3.296 5.245 654 HE1 MET 90 HE1 MET 90 -1.594 -2.697 6.879 655 HE2 MET 90 HE2 MET 90 -2.809 -2.491 5.620 656 HE3 MET 90 HE3 MET 90 -1.188 -1.832 5.397 657 H ILE 91 H ILE 91 3.885 -4.417 4.631 658 HA ILE 91 HA ILE 91 3.450 -1.616 4.465 659 HB ILE 91 HB ILE 91 5.966 -1.603 5.223 660 HG12 ILE 91 HG12 ILE 91 5.121 -4.393 6.012 661 HG13 ILE 91 HG13 ILE 91 6.229 -4.056 4.693 662 HG21 ILE 91 HG21 ILE 91 3.696 -2.591 6.946 663 HG22 ILE 91 HG22 ILE 91 4.073 -0.908 6.577 664 HG23 ILE 91 HG23 ILE 91 5.195 -1.874 7.536 665 HD11 ILE 91 HD11 ILE 91 6.653 -3.394 7.598 666 HD12 ILE 91 HD12 ILE 91 7.766 -2.993 6.290 667 HD13 ILE 91 HD13 ILE 91 7.441 -4.681 6.685 668 H ILE 92 H ILE 92 5.485 -3.841 2.563 669 HA ILE 92 HA ILE 92 6.903 -1.761 1.265 670 HB ILE 92 HB ILE 92 7.570 -3.426 -0.413 671 HG12 ILE 92 HG12 ILE 92 6.850 -5.883 0.370 672 HG13 ILE 92 HG13 ILE 92 5.391 -5.018 0.839 673 HG21 ILE 92 HG21 ILE 92 7.749 -4.367 2.436 674 HG22 ILE 92 HG22 ILE 92 8.833 -3.237 1.625 675 HG23 ILE 92 HG23 ILE 92 8.775 -4.924 1.114 676 HD11 ILE 92 HD11 ILE 92 5.167 -5.968 -1.379 677 HD12 ILE 92 HD12 ILE 92 6.603 -5.097 -1.917 678 HD13 ILE 92 HD13 ILE 92 5.150 -4.206 -1.460 679 H PHE 93 H PHE 93 3.827 -3.297 0.662 680 HA PHE 93 HA PHE 93 3.385 -2.190 -1.910 681 HD1 PHE 93 HD2 PHE 93 1.799 -3.465 -3.474 682 HD2 PHE 93 HD1 PHE 93 -0.670 -1.985 -0.339 683 HE1 PHE 93 HE2 PHE 93 0.024 -2.987 -5.106 684 HE2 PHE 93 HE1 PHE 93 -2.453 -1.506 -1.967 685 HZ PHE 93 HZ PHE 93 -2.104 -2.005 -4.355 686 HB2 PHE 93 HB2 PHE 93 2.079 -4.081 -0.957 687 HB3 PHE 93 HB3 PHE 93 1.344 -2.967 0.189 688 H GLU 94 H GLU 94 2.419 -1.176 1.350 689 HA GLU 94 HA GLU 94 1.156 1.216 0.731 690 HB2 GLU 94 HB2 GLU 94 2.804 0.475 3.156 691 HB3 GLU 94 HB3 GLU 94 1.817 1.926 3.050 692 HG2 GLU 94 HG2 GLU 94 0.705 -0.847 2.714 693 HG3 GLU 94 HG3 GLU 94 0.786 -0.015 4.267 694 H LEU 95 H LEU 95 4.603 0.644 1.440 695 HA LEU 95 HA LEU 95 5.533 3.257 1.221 696 HG LEU 95 HG LEU 95 6.373 0.697 2.779 697 HB2 LEU 95 HB2 LEU 95 6.911 0.705 0.379 698 HB3 LEU 95 HB3 LEU 95 7.711 2.253 0.565 699 HD11 LEU 95 HD11 LEU 95 8.424 -0.362 1.989 700 HD12 LEU 95 HD12 LEU 95 8.645 0.333 3.595 701 HD13 LEU 95 HD13 LEU 95 9.292 1.161 2.179 702 HD21 LEU 95 HD21 LEU 95 8.012 3.225 2.882 703 HD22 LEU 95 HD22 LEU 95 7.340 2.357 4.263 704 HD23 LEU 95 HD23 LEU 95 6.265 3.127 3.098 705 H SER 96 H SER 96 5.068 0.841 -1.301 706 HA SER 96 HA SER 96 6.148 2.335 -3.423 707 HG SER 96 HG SER 96 5.748 -0.769 -2.539 708 HB2 SER 96 HB2 SER 96 4.058 0.154 -3.545 709 HB3 SER 96 HB3 SER 96 5.101 0.681 -4.868 710 H LEU 97 H LEU 97 2.866 2.095 -2.127 711 HA LEU 97 HA LEU 97 1.545 3.461 -4.202 712 HG LEU 97 HG LEU 97 0.906 1.087 -2.094 713 HB2 LEU 97 HB2 LEU 97 0.810 3.365 -1.277 714 HB3 LEU 97 HB3 LEU 97 -0.256 3.828 -2.587 715 HD11 LEU 97 HD11 LEU 97 -1.921 2.134 -1.990 716 HD12 LEU 97 HD12 LEU 97 -0.926 1.673 -0.608 717 HD13 LEU 97 HD13 LEU 97 -1.437 0.453 -1.775 718 HD21 LEU 97 HD21 LEU 97 -0.443 0.371 -4.017 719 HD22 LEU 97 HD22 LEU 97 0.808 1.521 -4.488 720 HD23 LEU 97 HD23 LEU 97 -0.867 2.052 -4.341 721 H ARG 98 H ARG 98 3.120 4.608 -1.267 722 HA ARG 98 HA ARG 98 2.297 7.331 -1.641 723 HE ARG 98 HE ARG 98 0.349 6.311 2.375 724 HB2 ARG 98 HB2 ARG 98 4.253 5.990 0.210 725 HB3 ARG 98 HB3 ARG 98 4.163 7.742 0.108 726 HG2 ARG 98 HG2 ARG 98 2.856 6.871 1.973 727 HG3 ARG 98 HG3 ARG 98 1.833 7.690 0.793 728 HD2 ARG 98 HD2 ARG 98 1.180 5.542 -0.147 729 HD3 ARG 98 HD3 ARG 98 2.239 4.712 0.987 730 HH11 ARG 98 HH11 ARG 98 0.681 3.348 0.548 731 HH12 ARG 98 HH12 ARG 98 -0.616 2.523 1.362 732 HH21 ARG 98 HH21 ARG 98 -1.377 5.214 3.477 733 HH22 ARG 98 HH22 ARG 98 -1.780 3.586 3.013 734 H SER 99 H SER 99 5.044 5.386 -2.557 735 HA SER 99 HA SER 99 6.630 7.582 -3.486 736 HG SER 99 HG SER 99 7.017 4.825 -2.034 737 HB2 SER 99 HB2 SER 99 6.799 4.659 -4.252 738 HB3 SER 99 HB3 SER 99 8.063 5.872 -4.455 739 H LEU 100 H LEU 100 3.765 6.454 -4.534 740 HA LEU 100 HA LEU 100 4.345 6.846 -7.389 741 HG LEU 100 HG LEU 100 2.966 5.600 -8.974 742 HB2 LEU 100 HB2 LEU 100 3.343 4.661 -6.574 743 HB3 LEU 100 HB3 LEU 100 1.902 5.565 -6.167 744 HD11 LEU 100 HD11 LEU 100 2.796 3.253 -8.384 745 HD12 LEU 100 HD12 LEU 100 1.492 3.701 -9.482 746 HD13 LEU 100 HD13 LEU 100 1.165 3.506 -7.760 747 HD21 LEU 100 HD21 LEU 100 1.211 7.190 -8.424 748 HD22 LEU 100 HD22 LEU 100 0.202 5.886 -7.798 749 HD23 LEU 100 HD23 LEU 100 0.598 5.950 -9.517 750 H ALA 101 H ALA 101 1.537 7.291 -5.219 751 HA ALA 101 HA ALA 101 0.776 9.608 -6.849 752 HB1 ALA 101 HB1 ALA 101 -1.452 9.326 -5.926 753 HB2 ALA 101 HB2 ALA 101 -0.868 8.045 -4.862 754 HB3 ALA 101 HB3 ALA 101 -0.865 7.811 -6.610 755 H LEU 102 H LEU 102 1.669 8.756 -3.590 756 HA LEU 102 HA LEU 102 1.006 11.470 -2.673 757 HG LEU 102 HG LEU 102 -0.634 8.862 -2.132 758 HB2 LEU 102 HB2 LEU 102 1.595 8.981 -1.063 759 HB3 LEU 102 HB3 LEU 102 1.174 10.547 -0.399 760 HD11 LEU 102 HD11 LEU 102 -0.268 7.871 0.073 761 HD12 LEU 102 HD12 LEU 102 -1.910 8.492 -0.093 762 HD13 LEU 102 HD13 LEU 102 -0.714 9.399 0.834 763 HD21 LEU 102 HD21 LEU 102 -2.356 10.480 -1.489 764 HD22 LEU 102 HD22 LEU 102 -1.046 11.249 -2.387 765 HD23 LEU 102 HD23 LEU 102 -1.140 11.432 -0.636 766 H GLU 103 H GLU 103 3.101 11.559 -4.196 767 HA GLU 103 HA GLU 103 5.606 10.697 -3.395 768 HB2 GLU 103 HB2 GLU 103 5.040 13.294 -4.825 769 HB3 GLU 103 HB3 GLU 103 6.492 12.308 -4.934 770 HG2 GLU 103 HG2 GLU 103 5.446 10.679 -6.215 771 HG3 GLU 103 HG3 GLU 103 3.832 11.218 -5.750 772 H HIS 104 H HIS 104 4.234 13.957 -2.919 773 HA HIS 104 HA HIS 104 6.279 14.572 -0.980 774 HD1 HIS 104 HD1 HIS 104 3.718 15.858 -4.112 775 HD2 HIS 104 HD2 HIS 104 2.289 16.966 -0.359 776 HE1 HIS 104 HE1 HIS 104 1.279 16.370 -4.433 777 HE2 HIS 104 HE2 HIS 104 0.405 16.913 -2.132 778 HB2 HIS 104 HB2 HIS 104 5.032 16.733 -0.697 779 HB3 HIS 104 HB3 HIS 104 5.572 16.417 -2.339 780 H HIS 105 H HIS 105 6.159 13.499 0.860 781 HA HIS 105 HA HIS 105 3.550 13.334 2.199 782 HD1 HIS 105 HD1 HIS 105 1.973 10.707 2.703 783 HD2 HIS 105 HD2 HIS 105 5.624 10.309 4.657 784 HE1 HIS 105 HE1 HIS 105 1.472 9.464 4.825 785 HE2 HIS 105 HE2 HIS 105 3.676 9.324 6.049 786 HB2 HIS 105 HB2 HIS 105 4.094 11.164 1.209 787 HB3 HIS 105 HB3 HIS 105 5.653 11.164 2.019 788 H HIS 106 H HIS 106 4.256 15.231 3.373 789 HA HIS 106 HA HIS 106 6.321 14.733 5.367 790 HD1 HIS 106 HD1 HIS 106 8.077 17.160 6.186 791 HD2 HIS 106 HD2 HIS 106 4.252 17.735 7.699 792 HE1 HIS 106 HE1 HIS 106 8.399 18.089 8.498 793 HE2 HIS 106 HE2 HIS 106 6.077 18.199 9.473 794 HB2 HIS 106 HB2 HIS 106 6.185 17.001 4.410 795 HB3 HIS 106 HB3 HIS 106 4.526 17.149 4.985 796 H HIS 107 H HIS 107 5.595 13.199 6.725 797 HA HIS 107 HA HIS 107 3.396 13.911 8.482 798 HD1 HIS 107 HD1 HIS 107 0.098 11.914 7.120 799 HD2 HIS 107 HD2 HIS 107 2.735 11.165 10.253 800 HE1 HIS 107 HE1 HIS 107 -1.320 11.085 9.023 801 HE2 HIS 107 HE2 HIS 107 0.293 10.594 10.896 802 HB2 HIS 107 HB2 HIS 107 2.413 12.580 6.557 803 HB3 HIS 107 HB3 HIS 107 3.403 11.226 7.081 804 H HIS 108 H HIS 108 4.750 14.011 10.183 805 HA HIS 108 HA HIS 108 6.054 13.345 11.916 806 HD1 HIS 108 HD1 HIS 108 7.935 9.802 12.040 807 HD2 HIS 108 HD2 HIS 108 5.196 11.528 14.654 808 HE1 HIS 108 HE1 HIS 108 8.776 9.278 14.349 809 HE2 HIS 108 HE2 HIS 108 7.010 10.171 15.904 810 HB2 HIS 108 HB2 HIS 108 4.510 11.360 11.974 811 HB3 HIS 108 HB3 HIS 108 5.653 10.505 10.944 812 H HIS 109 H HIS 109 7.974 14.195 11.421 813 HA HIS 109 HA HIS 109 9.614 13.581 9.284 814 HD1 HIS 109 HD1 HIS 109 8.904 15.352 13.202 815 HD2 HIS 109 HD2 HIS 109 12.726 13.811 12.632 816 HE1 HIS 109 HE1 HIS 109 9.866 15.042 15.511 817 HE2 HIS 109 HE2 HIS 109 12.239 14.270 15.129 818 HB2 HIS 109 HB2 HIS 109 11.377 14.771 10.419 819 HB3 HIS 109 HB3 HIS 109 9.854 15.582 10.749 Start of MODEL 13 1 HA MET 1 HA MET 1 51.300 -24.183 -1.510 2 H1 MET 1 H1 MET 1 52.460 -24.844 -3.447 3 H2 MET 1 H2 MET 1 53.343 -25.369 -2.095 4 H3 MET 1 H3 MET 1 53.861 -24.016 -2.974 5 HB2 MET 1 HB2 MET 1 52.297 -22.713 0.171 6 HB3 MET 1 HB3 MET 1 53.185 -24.222 0.063 7 HG2 MET 1 HG2 MET 1 54.052 -21.670 -1.273 8 HG3 MET 1 HG3 MET 1 54.587 -22.178 0.327 9 HE1 MET 1 HE1 MET 1 57.747 -22.734 -1.952 10 HE2 MET 1 HE2 MET 1 57.118 -21.928 -0.514 11 HE3 MET 1 HE3 MET 1 56.543 -21.454 -2.112 12 H ALA 2 H ALA 2 49.876 -22.751 -2.200 13 HA ALA 2 HA ALA 2 50.510 -20.089 -2.951 14 HB1 ALA 2 HB1 ALA 2 49.938 -20.192 -5.326 15 HB2 ALA 2 HB2 ALA 2 49.805 -21.946 -5.222 16 HB3 ALA 2 HB3 ALA 2 51.366 -21.167 -4.974 17 H MET 3 H MET 3 48.640 -18.855 -3.449 18 HA MET 3 HA MET 3 46.080 -20.250 -3.072 19 HB2 MET 3 HB2 MET 3 45.217 -18.269 -1.905 20 HB3 MET 3 HB3 MET 3 46.601 -18.946 -1.056 21 HG2 MET 3 HG2 MET 3 48.031 -17.219 -2.035 22 HG3 MET 3 HG3 MET 3 46.630 -16.539 -2.862 23 HE1 MET 3 HE1 MET 3 44.355 -16.893 -0.647 24 HE2 MET 3 HE2 MET 3 44.561 -15.423 -1.599 25 HE3 MET 3 HE3 MET 3 44.433 -15.325 0.157 26 H LYS 4 H LYS 4 44.390 -19.575 -4.401 27 HA LYS 4 HA LYS 4 44.818 -17.419 -6.272 28 HB2 LYS 4 HB2 LYS 4 44.495 -19.045 -8.247 29 HB3 LYS 4 HB3 LYS 4 46.092 -18.925 -7.518 30 HG2 LYS 4 HG2 LYS 4 45.675 -20.960 -6.246 31 HG3 LYS 4 HG3 LYS 4 44.060 -21.073 -6.945 32 HD2 LYS 4 HD2 LYS 4 45.004 -21.350 -9.158 33 HD3 LYS 4 HD3 LYS 4 46.634 -21.140 -8.515 34 HE2 LYS 4 HE2 LYS 4 46.095 -23.505 -8.889 35 HE3 LYS 4 HE3 LYS 4 46.395 -23.157 -7.186 36 HZ1 LYS 4 HZ1 LYS 4 43.717 -23.436 -8.454 37 HZ2 LYS 4 HZ2 LYS 4 44.004 -23.101 -6.815 38 HZ3 LYS 4 HZ3 LYS 4 44.474 -24.590 -7.468 39 H ASP 5 H ASP 5 42.911 -16.500 -5.820 40 HA ASP 5 HA ASP 5 40.577 -17.887 -6.897 41 HB2 ASP 5 HB2 ASP 5 39.144 -17.327 -5.077 42 HB3 ASP 5 HB3 ASP 5 40.561 -18.096 -4.377 43 H VAL 6 H VAL 6 38.818 -16.358 -7.443 44 HA VAL 6 HA VAL 6 39.782 -13.613 -7.853 45 HB VAL 6 HB VAL 6 38.804 -13.609 -10.137 46 HG11 VAL 6 HG11 VAL 6 41.208 -13.908 -9.846 47 HG12 VAL 6 HG12 VAL 6 40.625 -14.831 -11.231 48 HG13 VAL 6 HG13 VAL 6 40.985 -15.654 -9.714 49 HG21 VAL 6 HG21 VAL 6 37.247 -15.467 -9.887 50 HG22 VAL 6 HG22 VAL 6 38.595 -16.594 -9.735 51 HG23 VAL 6 HG23 VAL 6 38.329 -15.738 -11.253 52 H VAL 7 H VAL 7 38.027 -12.088 -8.344 53 HA VAL 7 HA VAL 7 35.404 -13.070 -7.448 54 HB VAL 7 HB VAL 7 36.450 -11.932 -5.559 55 HG11 VAL 7 HG11 VAL 7 36.584 -9.508 -7.344 56 HG12 VAL 7 HG12 VAL 7 37.958 -10.446 -6.759 57 HG13 VAL 7 HG13 VAL 7 36.958 -9.547 -5.621 58 HG21 VAL 7 HG21 VAL 7 34.044 -11.792 -5.781 59 HG22 VAL 7 HG22 VAL 7 34.197 -10.352 -6.788 60 HG23 VAL 7 HG23 VAL 7 34.678 -10.298 -5.091 61 H ASP 8 H ASP 8 33.759 -12.502 -8.687 62 HA ASP 8 HA ASP 8 33.824 -10.014 -10.187 63 HB2 ASP 8 HB2 ASP 8 34.719 -11.643 -11.794 64 HB3 ASP 8 HB3 ASP 8 33.319 -12.680 -11.535 65 H LYS 9 H LYS 9 32.138 -9.112 -9.233 66 HA LYS 9 HA LYS 9 29.506 -10.253 -9.534 67 HB2 LYS 9 HB2 LYS 9 30.355 -11.371 -7.480 68 HB3 LYS 9 HB3 LYS 9 30.612 -9.790 -6.755 69 HG2 LYS 9 HG2 LYS 9 28.189 -9.348 -6.946 70 HG3 LYS 9 HG3 LYS 9 27.971 -10.986 -7.566 71 HD2 LYS 9 HD2 LYS 9 29.098 -10.253 -4.860 72 HD3 LYS 9 HD3 LYS 9 27.472 -10.866 -5.169 73 HE2 LYS 9 HE2 LYS 9 28.379 -12.956 -5.980 74 HE3 LYS 9 HE3 LYS 9 30.022 -12.344 -5.807 75 HZ1 LYS 9 HZ1 LYS 9 29.610 -12.150 -3.400 76 HZ2 LYS 9 HZ2 LYS 9 29.498 -13.747 -3.955 77 HZ3 LYS 9 HZ3 LYS 9 28.089 -12.868 -3.613 78 H CYS 10 H CYS 10 28.476 -8.524 -10.301 79 HA CYS 10 HA CYS 10 28.577 -6.025 -8.788 80 HG CYS 10 HG CYS 10 31.211 -6.173 -9.272 81 HB2 CYS 10 HB2 CYS 10 29.096 -6.195 -11.766 82 HB3 CYS 10 HB3 CYS 10 28.853 -4.703 -10.866 83 H SER 11 H SER 11 26.664 -8.189 -9.206 84 HA SER 11 HA SER 11 24.569 -7.125 -10.873 85 HG SER 11 HG SER 11 24.887 -9.092 -7.980 86 HB2 SER 11 HB2 SER 11 23.272 -9.055 -9.772 87 HB3 SER 11 HB3 SER 11 24.659 -9.494 -10.770 88 H THR 12 H THR 12 23.914 -5.153 -10.074 89 HA THR 12 HA THR 12 22.327 -5.228 -7.656 90 HB THR 12 HB THR 12 24.683 -3.336 -7.860 91 HG1 THR 12 HG1 THR 12 24.521 -5.784 -6.889 92 HG21 THR 12 HG21 THR 12 23.960 -2.525 -5.655 93 HG22 THR 12 HG22 THR 12 22.530 -3.554 -5.749 94 HG23 THR 12 HG23 THR 12 22.737 -2.224 -6.889 95 H LYS 13 H LYS 13 20.528 -4.672 -8.740 96 HA LYS 13 HA LYS 13 20.290 -1.853 -9.345 97 HB2 LYS 13 HB2 LYS 13 19.076 -2.288 -11.495 98 HB3 LYS 13 HB3 LYS 13 20.802 -2.608 -11.559 99 HG2 LYS 13 HG2 LYS 13 20.479 -4.934 -11.567 100 HG3 LYS 13 HG3 LYS 13 18.794 -4.784 -11.068 101 HD2 LYS 13 HD2 LYS 13 19.072 -5.346 -13.467 102 HD3 LYS 13 HD3 LYS 13 18.191 -3.844 -13.192 103 HE2 LYS 13 HE2 LYS 13 20.212 -2.557 -13.675 104 HE3 LYS 13 HE3 LYS 13 21.117 -4.051 -13.905 105 HZ1 LYS 13 HZ1 LYS 13 19.893 -4.560 -15.838 106 HZ2 LYS 13 HZ2 LYS 13 20.310 -2.921 -15.982 107 HZ3 LYS 13 HZ3 LYS 13 18.738 -3.358 -15.528 108 H GLY 14 H GLY 14 18.217 -1.083 -9.065 109 HA2 GLY 14 HA2 GLY 14 15.818 -2.330 -8.963 110 HA3 GLY 14 HA3 GLY 14 16.535 -2.767 -7.420 111 H CYS 15 H CYS 15 17.404 0.293 -8.752 112 HA CYS 15 HA CYS 15 16.149 1.647 -6.545 113 HG CYS 15 HG CYS 15 20.031 2.653 -7.942 114 HB2 CYS 15 HB2 CYS 15 17.606 2.817 -8.922 115 HB3 CYS 15 HB3 CYS 15 17.243 3.635 -7.405 116 H ALA 16 H ALA 16 14.031 2.008 -6.607 117 HA ALA 16 HA ALA 16 12.860 3.335 -8.911 118 HB1 ALA 16 HB1 ALA 16 12.675 0.981 -9.530 119 HB2 ALA 16 HB2 ALA 16 11.087 1.685 -9.229 120 HB3 ALA 16 HB3 ALA 16 11.834 0.642 -8.018 121 H ILE 17 H ILE 17 12.138 1.696 -5.833 122 HA ILE 17 HA ILE 17 9.791 3.271 -5.394 123 HB ILE 17 HB ILE 17 9.884 1.012 -4.523 124 HG12 ILE 17 HG12 ILE 17 9.864 2.987 -2.233 125 HG13 ILE 17 HG13 ILE 17 8.526 2.743 -3.351 126 HG21 ILE 17 HG21 ILE 17 12.265 0.834 -4.082 127 HG22 ILE 17 HG22 ILE 17 11.330 0.389 -2.655 128 HG23 ILE 17 HG23 ILE 17 12.118 1.966 -2.737 129 HD11 ILE 17 HD11 ILE 17 8.334 0.424 -2.609 130 HD12 ILE 17 HD12 ILE 17 8.150 1.560 -1.273 131 HD13 ILE 17 HD13 ILE 17 9.664 0.680 -1.479 132 H ASP 18 H ASP 18 9.610 5.184 -4.477 133 HA ASP 18 HA ASP 18 11.833 6.211 -2.862 134 HB2 ASP 18 HB2 ASP 18 12.190 7.055 -5.133 135 HB3 ASP 18 HB3 ASP 18 10.543 7.673 -5.184 136 H ILE 19 H ILE 19 10.512 5.917 -1.024 137 HA ILE 19 HA ILE 19 8.583 8.065 -0.723 138 HB ILE 19 HB ILE 19 7.481 6.299 0.974 139 HG12 ILE 19 HG12 ILE 19 7.099 4.201 -0.325 140 HG13 ILE 19 HG13 ILE 19 8.399 4.669 -1.400 141 HG21 ILE 19 HG21 ILE 19 6.772 6.678 -1.922 142 HG22 ILE 19 HG22 ILE 19 6.301 7.722 -0.580 143 HG23 ILE 19 HG23 ILE 19 5.684 6.071 -0.672 144 HD11 ILE 19 HD11 ILE 19 9.963 4.580 0.474 145 HD12 ILE 19 HD12 ILE 19 9.136 3.041 0.244 146 HD13 ILE 19 HD13 ILE 19 8.645 4.119 1.551 147 H GLY 20 H GLY 20 9.196 9.333 0.757 148 HA2 GLY 20 HA2 GLY 20 10.924 8.462 2.936 149 HA3 GLY 20 HA3 GLY 20 10.485 10.124 2.559 150 H THR 21 H THR 21 8.496 7.253 3.134 151 HA THR 21 HA THR 21 7.295 8.587 5.454 152 HB THR 21 HB THR 21 5.701 7.256 3.246 153 HG1 THR 21 HG1 THR 21 6.103 10.000 3.915 154 HG21 THR 21 HG21 THR 21 4.674 7.050 5.467 155 HG22 THR 21 HG22 THR 21 3.749 8.135 4.429 156 HG23 THR 21 HG23 THR 21 4.799 8.797 5.681 157 H VAL 22 H VAL 22 7.021 7.247 7.149 158 HA VAL 22 HA VAL 22 7.428 4.373 6.659 159 HB VAL 22 HB VAL 22 8.307 4.250 8.975 160 HG11 VAL 22 HG11 VAL 22 10.482 5.241 8.485 161 HG12 VAL 22 HG12 VAL 22 9.763 6.178 7.175 162 HG13 VAL 22 HG13 VAL 22 9.825 4.417 7.071 163 HG21 VAL 22 HG21 VAL 22 8.938 6.281 10.151 164 HG22 VAL 22 HG22 VAL 22 7.198 6.252 9.861 165 HG23 VAL 22 HG23 VAL 22 8.243 7.260 8.861 166 H ILE 23 H ILE 23 6.553 3.013 8.496 167 HA ILE 23 HA ILE 23 4.170 4.027 9.796 168 HB ILE 23 HB ILE 23 3.265 3.357 7.634 169 HG12 ILE 23 HG12 ILE 23 2.627 1.302 9.764 170 HG13 ILE 23 HG13 ILE 23 1.899 2.899 9.630 171 HG21 ILE 23 HG21 ILE 23 4.578 0.699 8.162 172 HG22 ILE 23 HG22 ILE 23 4.986 1.850 6.889 173 HG23 ILE 23 HG23 ILE 23 3.432 1.015 6.862 174 HD11 ILE 23 HD11 ILE 23 1.636 0.647 7.654 175 HD12 ILE 23 HD12 ILE 23 0.946 2.257 7.464 176 HD13 ILE 23 HD13 ILE 23 0.401 1.215 8.777 177 H ASP 24 H ASP 24 3.585 2.761 11.590 178 HA ASP 24 HA ASP 24 5.708 1.144 12.632 179 HB2 ASP 24 HB2 ASP 24 3.022 1.949 13.725 180 HB3 ASP 24 HB3 ASP 24 4.056 0.799 14.568 181 H ASN 25 H ASN 25 2.288 0.260 12.792 182 HA ASN 25 HA ASN 25 2.539 -2.104 11.241 183 HB2 ASN 25 HB2 ASN 25 2.486 -3.780 12.990 184 HB3 ASN 25 HB3 ASN 25 3.899 -2.762 13.238 185 HD21 ASN 25 HD21 ASN 25 0.891 -3.833 14.510 186 HD22 ASN 25 HD22 ASN 25 0.995 -3.009 16.029 187 H ASP 26 H ASP 26 0.562 -3.211 11.050 188 HA ASP 26 HA ASP 26 -1.676 -2.241 12.665 189 HB2 ASP 26 HB2 ASP 26 -1.743 -0.930 10.574 190 HB3 ASP 26 HB3 ASP 26 -1.754 -2.423 9.641 191 H ASN 27 H ASN 27 -1.802 -4.200 9.756 192 HA ASN 27 HA ASN 27 -1.947 -6.682 11.283 193 HB2 ASN 27 HB2 ASN 27 -4.187 -5.621 9.539 194 HB3 ASN 27 HB3 ASN 27 -4.035 -7.323 9.955 195 HD21 ASN 27 HD21 ASN 27 -4.850 -4.153 11.070 196 HD22 ASN 27 HD22 ASN 27 -5.504 -4.641 12.602 197 H CYS 28 H CYS 28 -2.923 -8.193 9.013 198 HA CYS 28 HA CYS 28 -0.761 -7.713 7.077 199 HG CYS 28 HG CYS 28 0.974 -10.060 8.355 200 HB2 CYS 28 HB2 CYS 28 -2.305 -10.277 7.547 201 HB3 CYS 28 HB3 CYS 28 -0.912 -10.072 6.491 202 H THR 29 H THR 29 -3.859 -7.008 7.525 203 HA THR 29 HA THR 29 -4.579 -7.304 4.681 204 HB THR 29 HB THR 29 -6.455 -6.984 7.039 205 HG1 THR 29 HG1 THR 29 -5.345 -9.100 6.720 206 HG21 THR 29 HG21 THR 29 -8.222 -7.478 5.398 207 HG22 THR 29 HG22 THR 29 -7.017 -7.471 4.113 208 HG23 THR 29 HG23 THR 29 -7.362 -5.991 5.010 209 H SER 30 H SER 30 -4.550 -5.435 3.581 210 HA SER 30 HA SER 30 -4.641 -2.928 5.112 211 HG SER 30 HG SER 30 -2.458 -1.338 3.543 212 HB2 SER 30 HB2 SER 30 -2.625 -3.419 3.679 213 HB3 SER 30 HB3 SER 30 -3.678 -3.309 2.269 214 H LYS 31 H LYS 31 -6.340 -1.646 4.946 215 HA LYS 31 HA LYS 31 -8.329 -2.128 2.838 216 HB2 LYS 31 HB2 LYS 31 -8.436 -0.617 5.455 217 HB3 LYS 31 HB3 LYS 31 -9.715 -0.524 4.257 218 HG2 LYS 31 HG2 LYS 31 -8.794 -3.094 5.519 219 HG3 LYS 31 HG3 LYS 31 -10.136 -2.124 6.123 220 HD2 LYS 31 HD2 LYS 31 -9.923 -3.432 3.411 221 HD3 LYS 31 HD3 LYS 31 -10.987 -3.912 4.735 222 HE2 LYS 31 HE2 LYS 31 -12.061 -1.664 4.577 223 HE3 LYS 31 HE3 LYS 31 -11.082 -1.355 3.143 224 HZ1 LYS 31 HZ1 LYS 31 -12.125 -3.458 2.228 225 HZ2 LYS 31 HZ2 LYS 31 -13.132 -2.106 2.346 226 HZ3 LYS 31 HZ3 LYS 31 -13.244 -3.349 3.496 227 H PHE 32 H PHE 32 -8.463 -0.773 1.161 228 HA PHE 32 HA PHE 32 -7.363 1.944 1.488 229 HD1 PHE 32 HD1 PHE 32 -5.065 2.848 0.022 230 HD2 PHE 32 HD2 PHE 32 -8.307 1.909 -2.572 231 HE1 PHE 32 HE1 PHE 32 -4.626 4.897 -1.264 232 HE2 PHE 32 HE2 PHE 32 -7.873 3.956 -3.861 233 HZ PHE 32 HZ PHE 32 -6.033 5.453 -3.208 234 HB2 PHE 32 HB2 PHE 32 -6.036 0.578 -0.095 235 HB3 PHE 32 HB3 PHE 32 -7.487 0.289 -1.050 236 H SER 33 H SER 33 -8.906 3.446 1.487 237 HA SER 33 HA SER 33 -11.307 2.989 -0.154 238 HG SER 33 HG SER 33 -12.000 1.668 1.988 239 HB2 SER 33 HB2 SER 33 -11.351 4.400 2.519 240 HB3 SER 33 HB3 SER 33 -12.722 3.814 1.573 241 H ARG 34 H ARG 34 -11.383 4.495 -1.697 242 HA ARG 34 HA ARG 34 -10.730 7.269 -0.986 243 HE ARG 34 HE ARG 34 -6.714 9.413 -3.021 244 HB2 ARG 34 HB2 ARG 34 -8.816 6.047 -2.203 245 HB3 ARG 34 HB3 ARG 34 -9.851 6.105 -3.622 246 HG2 ARG 34 HG2 ARG 34 -9.920 8.564 -3.432 247 HG3 ARG 34 HG3 ARG 34 -8.814 8.464 -2.059 248 HD2 ARG 34 HD2 ARG 34 -7.297 7.140 -3.677 249 HD3 ARG 34 HD3 ARG 34 -8.306 7.838 -4.945 250 HH11 ARG 34 HH11 ARG 34 -8.162 9.018 -6.187 251 HH12 ARG 34 HH12 ARG 34 -7.453 10.465 -6.826 252 HH21 ARG 34 HH21 ARG 34 -5.761 11.298 -3.881 253 HH22 ARG 34 HH22 ARG 34 -6.098 11.751 -5.534 254 H PHE 35 H PHE 35 -11.975 8.797 -2.019 255 HA PHE 35 HA PHE 35 -14.341 7.758 -3.366 256 HD1 PHE 35 HD2 PHE 35 -16.779 8.557 -2.061 257 HD2 PHE 35 HD1 PHE 35 -13.284 9.919 -0.055 258 HE1 PHE 35 HE2 PHE 35 -17.745 7.856 0.091 259 HE2 PHE 35 HE1 PHE 35 -14.242 9.219 2.100 260 HZ PHE 35 HZ PHE 35 -16.475 8.188 2.172 261 HB2 PHE 35 HB2 PHE 35 -13.679 10.519 -2.320 262 HB3 PHE 35 HB3 PHE 35 -15.186 10.102 -3.131 263 H PHE 36 H PHE 36 -14.987 8.330 -5.415 264 HA PHE 36 HA PHE 36 -13.125 9.982 -6.978 265 HD1 PHE 36 HD2 PHE 36 -11.122 8.974 -8.753 266 HD2 PHE 36 HD1 PHE 36 -12.866 5.978 -6.290 267 HE1 PHE 36 HE2 PHE 36 -8.883 8.102 -8.235 268 HE2 PHE 36 HE1 PHE 36 -10.629 5.100 -5.767 269 HZ PHE 36 HZ PHE 36 -8.633 6.163 -6.741 270 HB2 PHE 36 HB2 PHE 36 -14.220 7.275 -7.745 271 HB3 PHE 36 HB3 PHE 36 -13.513 8.388 -8.908 272 H ALA 37 H ALA 37 -14.065 10.887 -8.924 273 HA ALA 37 HA ALA 37 -16.601 12.017 -8.420 274 HB1 ALA 37 HB1 ALA 37 -16.354 13.108 -10.562 275 HB2 ALA 37 HB2 ALA 37 -15.056 11.998 -11.007 276 HB3 ALA 37 HB3 ALA 37 -14.824 13.146 -9.688 277 H THR 38 H THR 38 -15.537 9.536 -10.718 278 HA THR 38 HA THR 38 -18.374 8.847 -11.152 279 HB THR 38 HB THR 38 -16.411 7.930 -13.154 280 HG1 THR 38 HG1 THR 38 -17.233 10.656 -13.238 281 HG21 THR 38 HG21 THR 38 -19.091 9.303 -13.380 282 HG22 THR 38 HG22 THR 38 -18.827 7.560 -13.382 283 HG23 THR 38 HG23 THR 38 -18.198 8.547 -14.702 284 H ARG 39 H ARG 39 -18.865 6.602 -11.322 285 HA ARG 39 HA ARG 39 -17.470 4.847 -9.652 286 HE ARG 39 HE ARG 39 -20.177 0.113 -9.791 287 HB2 ARG 39 HB2 ARG 39 -19.813 4.553 -10.312 288 HB3 ARG 39 HB3 ARG 39 -19.318 4.198 -11.953 289 HG2 ARG 39 HG2 ARG 39 -18.108 2.210 -11.126 290 HG3 ARG 39 HG3 ARG 39 -18.734 2.549 -9.510 291 HD2 ARG 39 HD2 ARG 39 -20.995 2.267 -10.271 292 HD3 ARG 39 HD3 ARG 39 -20.455 2.094 -11.942 293 HH11 ARG 39 HH11 ARG 39 -19.694 1.021 -13.135 294 HH12 ARG 39 HH12 ARG 39 -19.402 -0.604 -13.677 295 HH21 ARG 39 HH21 ARG 39 -19.826 -2.043 -10.498 296 HH22 ARG 39 HH22 ARG 39 -19.505 -2.351 -12.178 297 H GLU 40 H GLU 40 -17.211 5.456 -13.076 298 HA GLU 40 HA GLU 40 -15.574 3.324 -13.850 299 HB2 GLU 40 HB2 GLU 40 -15.745 6.144 -14.911 300 HB3 GLU 40 HB3 GLU 40 -14.958 4.801 -15.730 301 HG2 GLU 40 HG2 GLU 40 -17.024 3.633 -15.913 302 HG3 GLU 40 HG3 GLU 40 -17.848 4.830 -14.931 303 H GLU 41 H GLU 41 -14.828 6.476 -12.548 304 HA GLU 41 HA GLU 41 -12.063 6.530 -12.783 305 HB2 GLU 41 HB2 GLU 41 -13.860 7.608 -10.610 306 HB3 GLU 41 HB3 GLU 41 -12.145 7.971 -10.712 307 HG2 GLU 41 HG2 GLU 41 -14.130 8.586 -12.883 308 HG3 GLU 41 HG3 GLU 41 -13.618 9.731 -11.641 309 H ALA 42 H ALA 42 -14.106 4.818 -10.551 310 HA ALA 42 HA ALA 42 -11.988 4.049 -8.761 311 HB1 ALA 42 HB1 ALA 42 -14.792 2.971 -9.043 312 HB2 ALA 42 HB2 ALA 42 -14.289 4.278 -7.971 313 HB3 ALA 42 HB3 ALA 42 -13.687 2.640 -7.711 314 H GLU 43 H GLU 43 -13.832 2.520 -11.360 315 HA GLU 43 HA GLU 43 -12.703 -0.037 -11.262 316 HB2 GLU 43 HB2 GLU 43 -13.638 1.488 -13.707 317 HB3 GLU 43 HB3 GLU 43 -13.413 -0.251 -13.605 318 HG2 GLU 43 HG2 GLU 43 -15.204 -0.426 -11.999 319 HG3 GLU 43 HG3 GLU 43 -15.389 1.328 -11.978 320 H SER 44 H SER 44 -11.745 2.825 -13.106 321 HA SER 44 HA SER 44 -9.560 1.672 -14.442 322 HG SER 44 HG SER 44 -11.499 4.598 -15.143 323 HB2 SER 44 HB2 SER 44 -9.983 4.574 -13.695 324 HB3 SER 44 HB3 SER 44 -8.948 3.967 -14.984 325 H PHE 45 H PHE 45 -9.875 3.047 -11.233 326 HA PHE 45 HA PHE 45 -7.056 3.413 -10.858 327 HD1 PHE 45 HD1 PHE 45 -6.596 5.751 -9.644 328 HD2 PHE 45 HD2 PHE 45 -7.856 2.856 -6.796 329 HE1 PHE 45 HE1 PHE 45 -4.823 6.498 -8.110 330 HE2 PHE 45 HE2 PHE 45 -6.083 3.592 -5.255 331 HZ PHE 45 HZ PHE 45 -4.565 5.415 -5.913 332 HB2 PHE 45 HB2 PHE 45 -8.907 4.687 -9.663 333 HB3 PHE 45 HB3 PHE 45 -9.155 3.240 -8.693 334 H MET 46 H MET 46 -9.428 0.940 -10.098 335 HA MET 46 HA MET 46 -7.819 -0.622 -8.386 336 HB2 MET 46 HB2 MET 46 -10.242 -0.881 -8.488 337 HB3 MET 46 HB3 MET 46 -10.135 -1.422 -10.155 338 HG2 MET 46 HG2 MET 46 -10.504 -3.276 -8.623 339 HG3 MET 46 HG3 MET 46 -8.961 -3.424 -9.461 340 HE1 MET 46 HE1 MET 46 -9.335 -1.991 -5.090 341 HE2 MET 46 HE2 MET 46 -10.723 -2.406 -6.096 342 HE3 MET 46 HE3 MET 46 -9.746 -0.989 -6.480 343 H THR 47 H THR 47 -7.903 -0.292 -11.828 344 HA THR 47 HA THR 47 -6.925 -2.791 -12.633 345 HB THR 47 HB THR 47 -6.269 -0.173 -13.991 346 HG1 THR 47 HG1 THR 47 -8.696 -1.296 -13.428 347 HG21 THR 47 HG21 THR 47 -6.821 -2.952 -15.045 348 HG22 THR 47 HG22 THR 47 -5.242 -2.173 -14.958 349 HG23 THR 47 HG23 THR 47 -6.483 -1.528 -16.030 350 H LYS 48 H LYS 48 -5.142 0.206 -11.875 351 HA LYS 48 HA LYS 48 -2.597 -1.002 -12.303 352 HB2 LYS 48 HB2 LYS 48 -1.708 1.071 -11.252 353 HB3 LYS 48 HB3 LYS 48 -2.766 1.343 -12.628 354 HG2 LYS 48 HG2 LYS 48 -4.622 1.707 -10.958 355 HG3 LYS 48 HG3 LYS 48 -3.362 1.744 -9.721 356 HD2 LYS 48 HD2 LYS 48 -3.456 3.529 -12.148 357 HD3 LYS 48 HD3 LYS 48 -3.990 3.984 -10.536 358 HE2 LYS 48 HE2 LYS 48 -1.761 3.732 -9.666 359 HE3 LYS 48 HE3 LYS 48 -1.193 3.089 -11.207 360 HZ1 LYS 48 HZ1 LYS 48 -2.289 5.832 -10.841 361 HZ2 LYS 48 HZ2 LYS 48 -1.569 5.199 -12.244 362 HZ3 LYS 48 HZ3 LYS 48 -0.633 5.458 -10.856 363 H LEU 49 H LEU 49 -4.717 -0.639 -9.580 364 HA LEU 49 HA LEU 49 -2.920 -1.277 -7.511 365 HG LEU 49 HG LEU 49 -6.026 -0.009 -5.948 366 HB2 LEU 49 HB2 LEU 49 -5.872 -1.382 -7.872 367 HB3 LEU 49 HB3 LEU 49 -5.193 -2.301 -6.546 368 HD11 LEU 49 HD11 LEU 49 -3.112 -0.588 -5.460 369 HD12 LEU 49 HD12 LEU 49 -4.473 -1.190 -4.517 370 HD13 LEU 49 HD13 LEU 49 -4.104 0.535 -4.530 371 HD21 LEU 49 HD21 LEU 49 -5.288 1.182 -7.939 372 HD22 LEU 49 HD22 LEU 49 -3.605 0.881 -7.510 373 HD23 LEU 49 HD23 LEU 49 -4.608 1.905 -6.481 374 H LYS 50 H LYS 50 -4.858 -3.314 -9.677 375 HA LYS 50 HA LYS 50 -4.330 -5.792 -8.521 376 HB2 LYS 50 HB2 LYS 50 -4.792 -4.974 -11.386 377 HB3 LYS 50 HB3 LYS 50 -4.797 -6.641 -10.834 378 HG2 LYS 50 HG2 LYS 50 -6.745 -6.358 -9.592 379 HG3 LYS 50 HG3 LYS 50 -6.591 -4.598 -9.588 380 HD2 LYS 50 HD2 LYS 50 -7.419 -4.378 -11.692 381 HD3 LYS 50 HD3 LYS 50 -6.810 -5.949 -12.199 382 HE2 LYS 50 HE2 LYS 50 -8.570 -6.993 -10.744 383 HE3 LYS 50 HE3 LYS 50 -9.231 -5.375 -10.496 384 HZ1 LYS 50 HZ1 LYS 50 -10.396 -6.547 -12.252 385 HZ2 LYS 50 HZ2 LYS 50 -8.950 -6.763 -13.109 386 HZ3 LYS 50 HZ3 LYS 50 -9.576 -5.203 -12.887 387 H GLU 51 H GLU 51 -2.552 -4.058 -11.073 388 HA GLU 51 HA GLU 51 -0.540 -5.954 -11.492 389 HB2 GLU 51 HB2 GLU 51 -0.627 -2.975 -11.845 390 HB3 GLU 51 HB3 GLU 51 0.829 -3.899 -12.197 391 HG2 GLU 51 HG2 GLU 51 -1.838 -4.536 -13.416 392 HG3 GLU 51 HG3 GLU 51 -0.688 -3.420 -14.142 393 H LEU 52 H LEU 52 -0.676 -3.200 -9.297 394 HA LEU 52 HA LEU 52 1.906 -3.502 -8.222 395 HG LEU 52 HG LEU 52 0.392 -1.117 -9.138 396 HB2 LEU 52 HB2 LEU 52 -0.585 -2.212 -7.122 397 HB3 LEU 52 HB3 LEU 52 0.981 -2.100 -6.346 398 HD11 LEU 52 HD11 LEU 52 0.637 0.410 -6.552 399 HD12 LEU 52 HD12 LEU 52 -0.826 0.206 -7.516 400 HD13 LEU 52 HD13 LEU 52 0.532 1.127 -8.160 401 HD21 LEU 52 HD21 LEU 52 2.793 -0.741 -7.350 402 HD22 LEU 52 HD22 LEU 52 2.559 -0.000 -8.935 403 HD23 LEU 52 HD23 LEU 52 2.723 -1.752 -8.793 404 H ALA 53 H ALA 53 -1.232 -4.797 -7.226 405 HA ALA 53 HA ALA 53 -0.364 -5.940 -4.794 406 HB1 ALA 53 HB1 ALA 53 -2.414 -7.236 -4.864 407 HB2 ALA 53 HB2 ALA 53 -2.634 -6.833 -6.567 408 HB3 ALA 53 HB3 ALA 53 -2.727 -5.569 -5.341 409 H ALA 54 H ALA 54 -0.494 -7.182 -8.095 410 HA ALA 54 HA ALA 54 0.189 -9.856 -7.481 411 HB1 ALA 54 HB1 ALA 54 0.637 -10.092 -9.862 412 HB2 ALA 54 HB2 ALA 54 0.613 -8.339 -10.051 413 HB3 ALA 54 HB3 ALA 54 -0.857 -9.197 -9.590 414 H ALA 55 H ALA 55 2.100 -6.974 -7.990 415 HA ALA 55 HA ALA 55 4.583 -8.447 -8.189 416 HB1 ALA 55 HB1 ALA 55 4.252 -6.364 -9.450 417 HB2 ALA 55 HB2 ALA 55 5.642 -6.275 -8.368 418 HB3 ALA 55 HB3 ALA 55 4.134 -5.474 -7.930 419 H ALA 56 H ALA 56 2.714 -6.837 -5.737 420 HA ALA 56 HA ALA 56 4.880 -6.641 -3.856 421 HB1 ALA 56 HB1 ALA 56 3.213 -5.815 -2.302 422 HB2 ALA 56 HB2 ALA 56 1.922 -6.283 -3.410 423 HB3 ALA 56 HB3 ALA 56 3.058 -5.013 -3.863 424 H SER 57 H SER 57 2.078 -8.770 -4.279 425 HA SER 57 HA SER 57 2.535 -10.171 -1.840 426 HG SER 57 HG SER 57 0.563 -9.922 -4.881 427 HB2 SER 57 HB2 SER 57 0.835 -11.780 -2.765 428 HB3 SER 57 HB3 SER 57 0.288 -10.107 -2.694 429 H SER 58 H SER 58 3.781 -11.854 -1.436 430 HA SER 58 HA SER 58 5.213 -13.092 -3.694 431 HG SER 58 HG SER 58 6.066 -11.008 -2.077 432 HB2 SER 58 HB2 SER 58 5.941 -13.030 -0.754 433 HB3 SER 58 HB3 SER 58 6.922 -13.703 -2.054 434 H ALA 59 H ALA 59 2.511 -13.675 -2.473 435 HA ALA 59 HA ALA 59 2.808 -16.283 -1.266 436 HB1 ALA 59 HB1 ALA 59 0.393 -16.236 -1.034 437 HB2 ALA 59 HB2 ALA 59 0.300 -14.804 -2.061 438 HB3 ALA 59 HB3 ALA 59 1.089 -14.712 -0.485 439 H ASP 60 H ASP 60 3.190 -15.368 -4.296 440 HA ASP 60 HA ASP 60 3.396 -16.508 -6.235 441 HB2 ASP 60 HB2 ASP 60 2.520 -18.830 -4.530 442 HB3 ASP 60 HB3 ASP 60 2.888 -18.997 -6.243 443 H GLU 61 H GLU 61 0.497 -18.062 -4.869 444 HA GLU 61 HA GLU 61 -0.845 -18.041 -7.361 445 HB2 GLU 61 HB2 GLU 61 -1.951 -18.416 -4.572 446 HB3 GLU 61 HB3 GLU 61 -2.827 -18.754 -6.059 447 HG2 GLU 61 HG2 GLU 61 -1.187 -20.462 -6.644 448 HG3 GLU 61 HG3 GLU 61 -0.297 -20.117 -5.161 449 H GLY 62 H GLY 62 -0.862 -15.864 -4.612 450 HA2 GLY 62 HA2 GLY 62 -1.349 -13.521 -5.698 451 HA3 GLY 62 HA3 GLY 62 -2.951 -14.232 -5.838 452 H ALA 63 H ALA 63 -3.819 -12.653 -4.460 453 HA ALA 63 HA ALA 63 -3.477 -13.284 -1.640 454 HB1 ALA 63 HB1 ALA 63 -3.182 -10.472 -2.709 455 HB2 ALA 63 HB2 ALA 63 -1.905 -11.450 -1.982 456 HB3 ALA 63 HB3 ALA 63 -3.275 -10.918 -1.006 457 H SER 64 H SER 64 -5.254 -12.476 -0.347 458 HA SER 64 HA SER 64 -7.748 -12.615 -1.731 459 HG SER 64 HG SER 64 -7.453 -14.330 -0.286 460 HB2 SER 64 HB2 SER 64 -7.100 -11.977 1.152 461 HB3 SER 64 HB3 SER 64 -8.718 -12.280 0.524 462 H VAL 65 H VAL 65 -8.351 -10.915 -2.946 463 HA VAL 65 HA VAL 65 -8.124 -8.258 -1.699 464 HB VAL 65 HB VAL 65 -6.724 -8.282 -3.636 465 HG11 VAL 65 HG11 VAL 65 -7.499 -8.837 -5.870 466 HG12 VAL 65 HG12 VAL 65 -9.105 -9.206 -5.244 467 HG13 VAL 65 HG13 VAL 65 -7.730 -10.210 -4.786 468 HG21 VAL 65 HG21 VAL 65 -8.025 -6.250 -3.259 469 HG22 VAL 65 HG22 VAL 65 -9.306 -6.872 -4.300 470 HG23 VAL 65 HG23 VAL 65 -7.719 -6.506 -4.977 471 H ALA 66 H ALA 66 -9.983 -7.568 -0.968 472 HA ALA 66 HA ALA 66 -12.459 -8.321 -2.348 473 HB1 ALA 66 HB1 ALA 66 -12.042 -7.023 0.343 474 HB2 ALA 66 HB2 ALA 66 -12.428 -8.719 0.052 475 HB3 ALA 66 HB3 ALA 66 -13.604 -7.466 -0.347 476 H TYR 67 H TYR 67 -12.576 -6.971 -4.075 477 HA TYR 67 HA TYR 67 -12.197 -4.106 -3.634 478 HD1 TYR 67 HD1 TYR 67 -13.981 -5.765 -7.254 479 HD2 TYR 67 HD2 TYR 67 -10.214 -6.930 -5.663 480 HE1 TYR 67 HE1 TYR 67 -14.131 -7.897 -8.472 481 HE2 TYR 67 HE2 TYR 67 -10.354 -9.063 -6.873 482 HH TYR 67 HH TYR 67 -11.988 -10.526 -7.851 483 HB2 TYR 67 HB2 TYR 67 -12.426 -4.116 -6.238 484 HB3 TYR 67 HB3 TYR 67 -10.930 -4.658 -5.490 485 H LYS 68 H LYS 68 -13.869 -2.873 -3.288 486 HA LYS 68 HA LYS 68 -16.409 -3.553 -4.597 487 HB2 LYS 68 HB2 LYS 68 -15.946 -2.652 -1.762 488 HB3 LYS 68 HB3 LYS 68 -17.504 -2.469 -2.556 489 HG2 LYS 68 HG2 LYS 68 -17.670 -4.849 -2.859 490 HG3 LYS 68 HG3 LYS 68 -16.058 -5.073 -2.186 491 HD2 LYS 68 HD2 LYS 68 -16.797 -4.222 -0.043 492 HD3 LYS 68 HD3 LYS 68 -18.393 -3.870 -0.705 493 HE2 LYS 68 HE2 LYS 68 -18.726 -6.266 -1.129 494 HE3 LYS 68 HE3 LYS 68 -17.140 -6.597 -0.435 495 HZ1 LYS 68 HZ1 LYS 68 -19.033 -6.934 1.118 496 HZ2 LYS 68 HZ2 LYS 68 -19.339 -5.269 1.048 497 HZ3 LYS 68 HZ3 LYS 68 -17.870 -5.834 1.682 498 H ILE 69 H ILE 69 -17.660 -1.865 -5.253 499 HA ILE 69 HA ILE 69 -16.514 0.837 -5.056 500 HB ILE 69 HB ILE 69 -17.748 -0.321 -7.569 501 HG12 ILE 69 HG12 ILE 69 -14.855 0.383 -7.009 502 HG13 ILE 69 HG13 ILE 69 -15.497 -1.253 -7.099 503 HG21 ILE 69 HG21 ILE 69 -17.038 1.776 -8.611 504 HG22 ILE 69 HG22 ILE 69 -16.425 2.344 -7.057 505 HG23 ILE 69 HG23 ILE 69 -18.154 2.067 -7.276 506 HD11 ILE 69 HD11 ILE 69 -16.087 -0.891 -9.438 507 HD12 ILE 69 HD12 ILE 69 -14.364 -0.646 -9.149 508 HD13 ILE 69 HD13 ILE 69 -15.432 0.744 -9.346 509 H LYS 70 H LYS 70 -18.007 1.816 -3.766 510 HA LYS 70 HA LYS 70 -20.796 1.071 -4.073 511 HB2 LYS 70 HB2 LYS 70 -19.849 1.388 -1.813 512 HB3 LYS 70 HB3 LYS 70 -19.601 3.089 -2.175 513 HG2 LYS 70 HG2 LYS 70 -21.645 2.625 -0.840 514 HG3 LYS 70 HG3 LYS 70 -21.958 3.465 -2.362 515 HD2 LYS 70 HD2 LYS 70 -22.541 1.288 -3.395 516 HD3 LYS 70 HD3 LYS 70 -22.323 0.517 -1.825 517 HE2 LYS 70 HE2 LYS 70 -24.262 2.773 -2.292 518 HE3 LYS 70 HE3 LYS 70 -24.701 1.075 -2.472 519 HZ1 LYS 70 HZ1 LYS 70 -24.063 0.716 -0.159 520 HZ2 LYS 70 HZ2 LYS 70 -25.291 1.876 -0.288 521 HZ3 LYS 70 HZ3 LYS 70 -23.695 2.363 0.012 522 H ASP 71 H ASP 71 -22.001 1.951 -5.454 523 HA ASP 71 HA ASP 71 -21.360 4.416 -6.779 524 HB2 ASP 71 HB2 ASP 71 -23.525 3.877 -8.013 525 HB3 ASP 71 HB3 ASP 71 -22.227 2.705 -8.177 526 H LEU 72 H LEU 72 -21.712 6.221 -5.677 527 HA LEU 72 HA LEU 72 -24.166 6.476 -4.077 528 HG LEU 72 HG LEU 72 -21.300 5.826 -3.035 529 HB2 LEU 72 HB2 LEU 72 -21.630 8.111 -3.966 530 HB3 LEU 72 HB3 LEU 72 -23.019 8.300 -2.914 531 HD11 LEU 72 HD11 LEU 72 -20.364 6.571 -0.922 532 HD12 LEU 72 HD12 LEU 72 -21.325 8.047 -0.996 533 HD13 LEU 72 HD13 LEU 72 -20.054 7.762 -2.186 534 HD21 LEU 72 HD21 LEU 72 -23.454 6.684 -1.105 535 HD22 LEU 72 HD22 LEU 72 -22.463 5.231 -0.966 536 HD23 LEU 72 HD23 LEU 72 -23.590 5.406 -2.312 537 H GLU 73 H GLU 73 -24.545 9.086 -3.897 538 HA GLU 73 HA GLU 73 -25.314 9.814 -6.599 539 HB2 GLU 73 HB2 GLU 73 -26.892 10.009 -4.698 540 HB3 GLU 73 HB3 GLU 73 -25.853 11.238 -3.992 541 HG2 GLU 73 HG2 GLU 73 -26.235 12.688 -5.893 542 HG3 GLU 73 HG3 GLU 73 -27.220 11.442 -6.663 543 H GLY 74 H GLY 74 -23.676 10.618 -7.750 544 HA2 GLY 74 HA2 GLY 74 -22.658 12.639 -8.478 545 HA3 GLY 74 HA3 GLY 74 -22.609 13.185 -6.808 546 H GLN 75 H GLN 75 -21.567 10.326 -6.208 547 HA GLN 75 HA GLN 75 -18.938 10.345 -7.369 548 HB2 GLN 75 HB2 GLN 75 -17.725 10.657 -5.254 549 HB3 GLN 75 HB3 GLN 75 -18.645 12.090 -5.684 550 HG2 GLN 75 HG2 GLN 75 -20.412 11.378 -4.100 551 HG3 GLN 75 HG3 GLN 75 -19.383 10.030 -3.615 552 HE21 GLN 75 HE21 GLN 75 -19.223 10.753 -1.490 553 HE22 GLN 75 HE22 GLN 75 -18.276 12.137 -1.056 554 H VAL 76 H VAL 76 -17.557 8.621 -6.218 555 HA VAL 76 HA VAL 76 -19.258 6.491 -5.106 556 HB VAL 76 HB VAL 76 -18.049 4.801 -6.423 557 HG11 VAL 76 HG11 VAL 76 -19.471 6.905 -8.045 558 HG12 VAL 76 HG12 VAL 76 -20.198 5.516 -7.238 559 HG13 VAL 76 HG13 VAL 76 -19.119 5.274 -8.612 560 HG21 VAL 76 HG21 VAL 76 -16.873 7.158 -7.894 561 HG22 VAL 76 HG22 VAL 76 -16.701 5.463 -8.355 562 HG23 VAL 76 HG23 VAL 76 -15.996 6.042 -6.846 563 H GLU 77 H GLU 77 -17.998 4.779 -4.051 564 HA GLU 77 HA GLU 77 -15.446 5.789 -3.000 565 HB2 GLU 77 HB2 GLU 77 -17.123 5.735 -1.245 566 HB3 GLU 77 HB3 GLU 77 -17.514 4.065 -1.628 567 HG2 GLU 77 HG2 GLU 77 -15.317 3.352 -0.911 568 HG3 GLU 77 HG3 GLU 77 -14.848 5.024 -0.611 569 H LEU 78 H LEU 78 -13.796 4.720 -3.783 570 HA LEU 78 HA LEU 78 -14.071 1.940 -4.622 571 HG LEU 78 HG LEU 78 -11.059 2.297 -6.726 572 HB2 LEU 78 HB2 LEU 78 -12.801 3.628 -5.985 573 HB3 LEU 78 HB3 LEU 78 -11.642 3.750 -4.680 574 HD11 LEU 78 HD11 LEU 78 -9.724 2.332 -4.693 575 HD12 LEU 78 HD12 LEU 78 -9.828 0.697 -5.351 576 HD13 LEU 78 HD13 LEU 78 -10.802 1.149 -3.952 577 HD21 LEU 78 HD21 LEU 78 -13.153 1.079 -6.865 578 HD22 LEU 78 HD22 LEU 78 -12.885 0.403 -5.256 579 HD23 LEU 78 HD23 LEU 78 -11.808 -0.026 -6.586 580 H ASP 79 H ASP 79 -13.845 0.416 -3.173 581 HA ASP 79 HA ASP 79 -12.094 0.894 -0.856 582 HB2 ASP 79 HB2 ASP 79 -14.436 1.183 -0.182 583 HB3 ASP 79 HB3 ASP 79 -14.830 -0.403 -0.834 584 H ALA 80 H ALA 80 -10.542 -0.579 -0.755 585 HA ALA 80 HA ALA 80 -11.136 -3.294 -1.723 586 HB1 ALA 80 HB1 ALA 80 -9.861 -2.118 -3.436 587 HB2 ALA 80 HB2 ALA 80 -8.919 -3.430 -2.727 588 HB3 ALA 80 HB3 ALA 80 -8.597 -1.762 -2.257 589 H ALA 81 H ALA 81 -10.575 -4.868 -0.402 590 HA ALA 81 HA ALA 81 -8.779 -4.296 1.851 591 HB1 ALA 81 HB1 ALA 81 -11.030 -5.024 2.493 592 HB2 ALA 81 HB2 ALA 81 -9.814 -6.213 2.964 593 HB3 ALA 81 HB3 ALA 81 -10.822 -6.496 1.545 594 H PHE 82 H PHE 82 -6.759 -4.873 1.326 595 HA PHE 82 HA PHE 82 -6.334 -7.278 -0.305 596 HD1 PHE 82 HD1 PHE 82 -4.681 -6.616 -2.741 597 HD2 PHE 82 HD2 PHE 82 -5.689 -3.266 -0.321 598 HE1 PHE 82 HE1 PHE 82 -5.263 -5.338 -4.762 599 HE2 PHE 82 HE2 PHE 82 -6.278 -1.983 -2.335 600 HZ PHE 82 HZ PHE 82 -6.063 -3.017 -4.560 601 HB2 PHE 82 HB2 PHE 82 -4.410 -5.103 0.568 602 HB3 PHE 82 HB3 PHE 82 -3.978 -6.484 -0.431 603 H THR 83 H THR 83 -6.144 -9.094 0.783 604 HA THR 83 HA THR 83 -4.955 -9.059 3.468 605 HB THR 83 HB THR 83 -6.443 -11.330 2.142 606 HG1 THR 83 HG1 THR 83 -7.577 -9.179 2.522 607 HG21 THR 83 HG21 THR 83 -6.781 -12.104 4.437 608 HG22 THR 83 HG22 THR 83 -5.873 -10.720 5.050 609 HG23 THR 83 HG23 THR 83 -5.063 -11.948 4.078 610 H PHE 84 H PHE 84 -2.808 -9.321 3.350 611 HA PHE 84 HA PHE 84 -1.676 -11.091 1.313 612 HD1 PHE 84 HD2 PHE 84 0.184 -9.758 -0.376 613 HD2 PHE 84 HD1 PHE 84 -1.469 -7.139 2.541 614 HE1 PHE 84 HE2 PHE 84 -0.117 -8.034 -2.103 615 HE2 PHE 84 HE1 PHE 84 -1.773 -5.409 0.817 616 HZ PHE 84 HZ PHE 84 -1.094 -5.857 -1.505 617 HB2 PHE 84 HB2 PHE 84 -0.376 -9.128 3.213 618 HB3 PHE 84 HB3 PHE 84 0.505 -10.123 2.059 619 H SER 85 H SER 85 0.642 -11.911 2.511 620 HA SER 85 HA SER 85 -0.378 -13.793 4.517 621 HG SER 85 HG SER 85 1.187 -14.191 1.371 622 HB2 SER 85 HB2 SER 85 2.305 -13.917 3.132 623 HB3 SER 85 HB3 SER 85 1.415 -15.228 3.907 624 H CYS 86 H CYS 86 2.233 -11.528 3.840 625 HA CYS 86 HA CYS 86 2.891 -11.476 6.717 626 HG CYS 86 HG CYS 86 5.081 -13.192 3.745 627 HB2 CYS 86 HB2 CYS 86 4.706 -10.736 4.414 628 HB3 CYS 86 HB3 CYS 86 5.153 -10.886 6.110 629 H GLN 87 H GLN 87 3.197 -9.471 7.691 630 HA GLN 87 HA GLN 87 1.707 -7.292 6.745 631 HB2 GLN 87 HB2 GLN 87 2.201 -7.574 9.104 632 HB3 GLN 87 HB3 GLN 87 3.922 -7.390 8.799 633 HG2 GLN 87 HG2 GLN 87 3.714 -5.104 8.349 634 HG3 GLN 87 HG3 GLN 87 1.967 -5.212 8.141 635 HE21 GLN 87 HE21 GLN 87 0.669 -5.505 9.973 636 HE22 GLN 87 HE22 GLN 87 1.228 -5.084 11.559 637 H ALA 88 H ALA 88 5.062 -8.173 6.355 638 HA ALA 88 HA ALA 88 6.166 -5.844 5.376 639 HB1 ALA 88 HB1 ALA 88 7.452 -7.883 5.766 640 HB2 ALA 88 HB2 ALA 88 7.730 -7.261 4.141 641 HB3 ALA 88 HB3 ALA 88 6.671 -8.649 4.384 642 H GLU 89 H GLU 89 4.286 -8.289 3.609 643 HA GLU 89 HA GLU 89 4.548 -7.098 1.055 644 HB2 GLU 89 HB2 GLU 89 2.266 -8.824 2.038 645 HB3 GLU 89 HB3 GLU 89 2.765 -8.580 0.370 646 HG2 GLU 89 HG2 GLU 89 4.806 -9.771 0.747 647 HG3 GLU 89 HG3 GLU 89 4.464 -9.895 2.473 648 H MET 90 H MET 90 2.247 -6.712 3.673 649 HA MET 90 HA MET 90 0.335 -5.147 2.312 650 HB2 MET 90 HB2 MET 90 -0.292 -6.116 4.393 651 HB3 MET 90 HB3 MET 90 1.074 -5.389 5.228 652 HG2 MET 90 HG2 MET 90 0.078 -3.171 4.893 653 HG3 MET 90 HG3 MET 90 -1.303 -3.928 4.095 654 HE1 MET 90 HE1 MET 90 -1.354 -1.917 6.665 655 HE2 MET 90 HE2 MET 90 -2.632 -2.667 7.622 656 HE3 MET 90 HE3 MET 90 -2.814 -2.508 5.873 657 H ILE 91 H ILE 91 2.963 -4.152 4.507 658 HA ILE 91 HA ILE 91 2.434 -1.411 4.188 659 HB ILE 91 HB ILE 91 4.716 -1.097 5.225 660 HG12 ILE 91 HG12 ILE 91 4.578 -4.098 5.529 661 HG13 ILE 91 HG13 ILE 91 5.650 -3.272 4.410 662 HG21 ILE 91 HG21 ILE 91 2.668 -1.096 6.519 663 HG22 ILE 91 HG22 ILE 91 3.959 -1.895 7.418 664 HG23 ILE 91 HG23 ILE 91 2.712 -2.856 6.622 665 HD11 ILE 91 HD11 ILE 91 5.685 -3.007 7.407 666 HD12 ILE 91 HD12 ILE 91 6.769 -2.184 6.287 667 HD13 ILE 91 HD13 ILE 91 6.820 -3.940 6.431 668 H ILE 92 H ILE 92 4.770 -3.540 2.528 669 HA ILE 92 HA ILE 92 6.100 -1.445 1.165 670 HB ILE 92 HB ILE 92 6.913 -3.139 -0.399 671 HG12 ILE 92 HG12 ILE 92 5.105 -5.065 1.064 672 HG13 ILE 92 HG13 ILE 92 4.843 -4.472 -0.572 673 HG21 ILE 92 HG21 ILE 92 8.089 -4.559 1.219 674 HG22 ILE 92 HG22 ILE 92 6.976 -4.020 2.476 675 HG23 ILE 92 HG23 ILE 92 8.063 -2.865 1.705 676 HD11 ILE 92 HD11 ILE 92 5.789 -6.704 -0.580 677 HD12 ILE 92 HD12 ILE 92 7.175 -6.133 0.348 678 HD13 ILE 92 HD13 ILE 92 6.910 -5.544 -1.295 679 H PHE 93 H PHE 93 3.141 -3.173 0.575 680 HA PHE 93 HA PHE 93 2.801 -2.457 -2.143 681 HD1 PHE 93 HD1 PHE 93 1.063 -3.706 -3.697 682 HD2 PHE 93 HD2 PHE 93 -1.268 -2.443 -0.369 683 HE1 PHE 93 HE1 PHE 93 -0.862 -3.352 -5.181 684 HE2 PHE 93 HE2 PHE 93 -3.197 -2.086 -1.851 685 HZ PHE 93 HZ PHE 93 -2.995 -2.543 -4.261 686 HB2 PHE 93 HB2 PHE 93 1.578 -4.315 -1.218 687 HB3 PHE 93 HB3 PHE 93 0.836 -3.285 -0.003 688 H GLU 94 H GLU 94 1.456 -1.087 0.865 689 HA GLU 94 HA GLU 94 0.101 0.980 -0.558 690 HB2 GLU 94 HB2 GLU 94 -0.285 1.915 1.772 691 HB3 GLU 94 HB3 GLU 94 -0.962 0.334 1.415 692 HG2 GLU 94 HG2 GLU 94 1.017 -0.680 2.537 693 HG3 GLU 94 HG3 GLU 94 1.496 0.945 3.030 694 H LEU 95 H LEU 95 3.245 0.742 0.979 695 HA LEU 95 HA LEU 95 3.830 3.523 0.838 696 HG LEU 95 HG LEU 95 4.514 1.424 2.982 697 HB2 LEU 95 HB2 LEU 95 5.644 1.111 0.837 698 HB3 LEU 95 HB3 LEU 95 6.229 2.763 0.888 699 HD11 LEU 95 HD11 LEU 95 6.484 1.574 4.392 700 HD12 LEU 95 HD12 LEU 95 7.399 2.290 3.062 701 HD13 LEU 95 HD13 LEU 95 6.825 0.625 2.944 702 HD21 LEU 95 HD21 LEU 95 4.897 3.463 4.296 703 HD22 LEU 95 HD22 LEU 95 3.992 3.791 2.818 704 HD23 LEU 95 HD23 LEU 95 5.706 4.194 2.910 705 H SER 96 H SER 96 4.351 0.812 -1.371 706 HA SER 96 HA SER 96 5.597 2.215 -3.442 707 HG SER 96 HG SER 96 5.102 -0.584 -5.518 708 HB2 SER 96 HB2 SER 96 5.427 -0.267 -3.297 709 HB3 SER 96 HB3 SER 96 3.717 -0.145 -3.707 710 H LEU 97 H LEU 97 2.174 1.782 -2.662 711 HA LEU 97 HA LEU 97 0.989 2.917 -4.891 712 HG LEU 97 HG LEU 97 0.162 0.884 -2.636 713 HB2 LEU 97 HB2 LEU 97 0.182 3.252 -2.002 714 HB3 LEU 97 HB3 LEU 97 -0.836 3.637 -3.375 715 HD11 LEU 97 HD11 LEU 97 -1.546 1.743 -1.115 716 HD12 LEU 97 HD12 LEU 97 -2.171 0.427 -2.109 717 HD13 LEU 97 HD13 LEU 97 -2.594 2.096 -2.488 718 HD21 LEU 97 HD21 LEU 97 -1.303 0.092 -4.416 719 HD22 LEU 97 HD22 LEU 97 -0.063 1.170 -5.056 720 HD23 LEU 97 HD23 LEU 97 -1.710 1.756 -4.832 721 H ARG 98 H ARG 98 2.191 4.549 -1.982 722 HA ARG 98 HA ARG 98 1.579 7.167 -2.841 723 HE ARG 98 HE ARG 98 0.523 6.049 2.154 724 HB2 ARG 98 HB2 ARG 98 3.623 6.204 -0.841 725 HB3 ARG 98 HB3 ARG 98 3.159 7.884 -1.066 726 HG2 ARG 98 HG2 ARG 98 0.844 7.289 -0.460 727 HG3 ARG 98 HG3 ARG 98 1.388 5.640 -0.130 728 HD2 ARG 98 HD2 ARG 98 2.966 6.533 1.529 729 HD3 ARG 98 HD3 ARG 98 2.349 8.155 1.228 730 HH11 ARG 98 HH11 ARG 98 2.142 9.116 2.667 731 HH12 ARG 98 HH12 ARG 98 1.221 9.516 4.086 732 HH21 ARG 98 HH21 ARG 98 -0.714 6.577 3.991 733 HH22 ARG 98 HH22 ARG 98 -0.417 8.065 4.841 734 H SER 99 H SER 99 4.439 5.145 -3.163 735 HA SER 99 HA SER 99 6.186 7.135 -4.136 736 HG SER 99 HG SER 99 7.776 6.006 -5.643 737 HB2 SER 99 HB2 SER 99 6.941 4.945 -3.242 738 HB3 SER 99 HB3 SER 99 6.259 4.151 -4.661 739 H LEU 100 H LEU 100 4.035 4.846 -5.773 740 HA LEU 100 HA LEU 100 4.855 5.579 -8.400 741 HG LEU 100 HG LEU 100 2.357 4.945 -9.967 742 HB2 LEU 100 HB2 LEU 100 3.738 3.442 -7.743 743 HB3 LEU 100 HB3 LEU 100 2.244 4.331 -7.562 744 HD11 LEU 100 HD11 LEU 100 4.746 4.787 -10.303 745 HD12 LEU 100 HD12 LEU 100 3.906 3.708 -11.417 746 HD13 LEU 100 HD13 LEU 100 4.703 3.053 -9.986 747 HD21 LEU 100 HD21 LEU 100 1.725 2.751 -10.817 748 HD22 LEU 100 HD22 LEU 100 1.036 3.034 -9.217 749 HD23 LEU 100 HD23 LEU 100 2.444 1.986 -9.399 750 H ALA 101 H ALA 101 2.335 6.660 -6.215 751 HA ALA 101 HA ALA 101 0.847 8.215 -8.022 752 HB1 ALA 101 HB1 ALA 101 -0.046 9.341 -6.047 753 HB2 ALA 101 HB2 ALA 101 1.227 8.623 -5.058 754 HB3 ALA 101 HB3 ALA 101 0.011 7.594 -5.814 755 H LEU 102 H LEU 102 3.901 8.763 -6.472 756 HA LEU 102 HA LEU 102 3.794 11.584 -7.316 757 HG LEU 102 HG LEU 102 5.280 9.091 -5.050 758 HB2 LEU 102 HB2 LEU 102 5.693 11.967 -5.761 759 HB3 LEU 102 HB3 LEU 102 4.208 11.471 -4.979 760 HD11 LEU 102 HD11 LEU 102 7.197 9.692 -6.436 761 HD12 LEU 102 HD12 LEU 102 7.697 9.100 -4.852 762 HD13 LEU 102 HD13 LEU 102 7.734 10.828 -5.199 763 HD21 LEU 102 HD21 LEU 102 6.252 11.241 -3.177 764 HD22 LEU 102 HD22 LEU 102 6.282 9.506 -2.867 765 HD23 LEU 102 HD23 LEU 102 4.740 10.346 -3.031 766 H GLU 103 H GLU 103 5.001 8.634 -8.202 767 HA GLU 103 HA GLU 103 6.398 7.919 -9.826 768 HB2 GLU 103 HB2 GLU 103 6.736 10.858 -10.437 769 HB3 GLU 103 HB3 GLU 103 7.353 9.549 -11.435 770 HG2 GLU 103 HG2 GLU 103 5.104 8.771 -11.861 771 HG3 GLU 103 HG3 GLU 103 4.449 10.016 -10.796 772 H HIS 104 H HIS 104 7.945 10.907 -8.680 773 HA HIS 104 HA HIS 104 9.933 9.522 -7.177 774 HD1 HIS 104 HD1 HIS 104 13.088 11.873 -9.165 775 HD2 HIS 104 HD2 HIS 104 12.485 8.206 -7.299 776 HE1 HIS 104 HE1 HIS 104 15.249 11.348 -7.982 777 HE2 HIS 104 HE2 HIS 104 14.807 9.200 -6.736 778 HB2 HIS 104 HB2 HIS 104 10.761 9.173 -9.524 779 HB3 HIS 104 HB3 HIS 104 10.872 10.921 -9.693 780 H HIS 105 H HIS 105 10.899 10.903 -5.736 781 HA HIS 105 HA HIS 105 11.223 12.776 -4.503 782 HD1 HIS 105 HD1 HIS 105 12.575 14.183 -8.312 783 HD2 HIS 105 HD2 HIS 105 13.143 14.735 -4.225 784 HE1 HIS 105 HE1 HIS 105 15.042 14.589 -8.010 785 HE2 HIS 105 HE2 HIS 105 15.351 15.008 -5.543 786 HB2 HIS 105 HB2 HIS 105 10.441 14.129 -7.057 787 HB3 HIS 105 HB3 HIS 105 10.468 15.059 -5.562 788 H HIS 106 H HIS 106 10.014 13.054 -2.815 789 HA HIS 106 HA HIS 106 7.340 12.211 -2.805 790 HD1 HIS 106 HD1 HIS 106 7.351 10.331 -0.424 791 HD2 HIS 106 HD2 HIS 106 6.047 14.143 0.589 792 HE1 HIS 106 HE1 HIS 106 5.298 9.990 0.994 793 HE2 HIS 106 HE2 HIS 106 4.496 12.313 1.561 794 HB2 HIS 106 HB2 HIS 106 9.071 12.217 -0.890 795 HB3 HIS 106 HB3 HIS 106 8.545 13.874 -0.608 796 H HIS 107 H HIS 107 5.751 13.279 -3.735 797 HA HIS 107 HA HIS 107 5.629 16.199 -3.555 798 HD1 HIS 107 HD1 HIS 107 1.965 16.064 -5.853 799 HD2 HIS 107 HD2 HIS 107 5.773 17.744 -5.893 800 HE1 HIS 107 HE1 HIS 107 1.694 18.352 -6.867 801 HE2 HIS 107 HE2 HIS 107 4.037 19.271 -7.053 802 HB2 HIS 107 HB2 HIS 107 5.303 14.789 -5.731 803 HB3 HIS 107 HB3 HIS 107 3.699 14.467 -5.084 804 H HIS 108 H HIS 108 4.658 16.888 -1.738 805 HA HIS 108 HA HIS 108 2.982 15.189 -0.180 806 HD1 HIS 108 HD1 HIS 108 3.194 15.946 3.016 807 HD2 HIS 108 HD2 HIS 108 6.412 16.833 0.538 808 HE1 HIS 108 HE1 HIS 108 5.237 15.120 4.236 809 HE2 HIS 108 HE2 HIS 108 7.151 15.508 2.636 810 HB2 HIS 108 HB2 HIS 108 3.873 18.035 0.055 811 HB3 HIS 108 HB3 HIS 108 2.575 17.445 1.086 812 H HIS 109 H HIS 109 2.278 18.161 -2.024 813 HA HIS 109 HA HIS 109 -0.504 17.233 -2.166 814 HD1 HIS 109 HD1 HIS 109 -1.308 21.351 -3.065 815 HD2 HIS 109 HD2 HIS 109 -3.095 18.298 -0.878 816 HE1 HIS 109 HE1 HIS 109 -3.786 21.639 -3.395 817 HE2 HIS 109 HE2 HIS 109 -4.836 19.683 -2.200 818 HB2 HIS 109 HB2 HIS 109 -0.333 18.987 -0.426 819 HB3 HIS 109 HB3 HIS 109 0.328 20.092 -1.626 Start of MODEL 14 1 HA MET 1 HA MET 1 43.786 -37.929 -26.492 2 H1 MET 1 H1 MET 1 44.281 -38.715 -23.679 3 H2 MET 1 H2 MET 1 44.688 -37.217 -24.355 4 H3 MET 1 H3 MET 1 45.426 -38.631 -24.928 5 HB2 MET 1 HB2 MET 1 42.872 -40.320 -24.876 6 HB3 MET 1 HB3 MET 1 42.324 -39.936 -26.501 7 HG2 MET 1 HG2 MET 1 44.634 -40.164 -27.309 8 HG3 MET 1 HG3 MET 1 45.135 -40.624 -25.682 9 HE1 MET 1 HE1 MET 1 45.760 -42.409 -28.228 10 HE2 MET 1 HE2 MET 1 45.372 -44.014 -27.608 11 HE3 MET 1 HE3 MET 1 46.219 -42.853 -26.583 12 H ALA 2 H ALA 2 42.206 -38.692 -23.385 13 HA ALA 2 HA ALA 2 39.780 -37.355 -24.154 14 HB1 ALA 2 HB1 ALA 2 39.031 -37.860 -21.876 15 HB2 ALA 2 HB2 ALA 2 40.656 -38.403 -21.461 16 HB3 ALA 2 HB3 ALA 2 39.711 -39.285 -22.662 17 H MET 3 H MET 3 39.339 -35.271 -23.965 18 HA MET 3 HA MET 3 40.648 -33.679 -21.894 19 HB2 MET 3 HB2 MET 3 41.207 -31.902 -23.512 20 HB3 MET 3 HB3 MET 3 42.091 -33.388 -23.824 21 HG2 MET 3 HG2 MET 3 40.410 -33.931 -25.585 22 HG3 MET 3 HG3 MET 3 39.715 -32.329 -25.338 23 HE1 MET 3 HE1 MET 3 42.768 -30.031 -26.314 24 HE2 MET 3 HE2 MET 3 42.424 -30.677 -24.710 25 HE3 MET 3 HE3 MET 3 41.111 -30.063 -25.714 26 H LYS 4 H LYS 4 39.561 -31.647 -21.490 27 HA LYS 4 HA LYS 4 36.953 -31.293 -22.733 28 HB2 LYS 4 HB2 LYS 4 36.536 -32.885 -20.885 29 HB3 LYS 4 HB3 LYS 4 37.216 -31.728 -19.750 30 HG2 LYS 4 HG2 LYS 4 35.435 -30.151 -20.261 31 HG3 LYS 4 HG3 LYS 4 34.766 -31.274 -21.444 32 HD2 LYS 4 HD2 LYS 4 33.471 -31.521 -19.478 33 HD3 LYS 4 HD3 LYS 4 34.526 -32.931 -19.556 34 HE2 LYS 4 HE2 LYS 4 34.511 -32.141 -17.300 35 HE3 LYS 4 HE3 LYS 4 36.083 -31.766 -18.004 36 HZ1 LYS 4 HZ1 LYS 4 35.171 -29.925 -16.699 37 HZ2 LYS 4 HZ2 LYS 4 33.833 -29.838 -17.740 38 HZ3 LYS 4 HZ3 LYS 4 35.390 -29.492 -18.323 39 H ASP 5 H ASP 5 36.909 -29.228 -23.241 40 HA ASP 5 HA ASP 5 37.671 -27.283 -21.176 41 HB2 ASP 5 HB2 ASP 5 39.480 -27.236 -22.800 42 HB3 ASP 5 HB3 ASP 5 38.331 -27.077 -24.125 43 H VAL 6 H VAL 6 35.747 -26.542 -20.568 44 HA VAL 6 HA VAL 6 33.812 -25.843 -22.667 45 HB VAL 6 HB VAL 6 32.101 -25.819 -20.870 46 HG11 VAL 6 HG11 VAL 6 33.642 -28.389 -21.185 47 HG12 VAL 6 HG12 VAL 6 32.358 -27.793 -22.236 48 HG13 VAL 6 HG13 VAL 6 31.992 -28.267 -20.577 49 HG21 VAL 6 HG21 VAL 6 34.308 -26.941 -19.148 50 HG22 VAL 6 HG22 VAL 6 32.607 -26.825 -18.698 51 HG23 VAL 6 HG23 VAL 6 33.551 -25.359 -18.964 52 H VAL 7 H VAL 7 33.052 -23.784 -22.846 53 HA VAL 7 HA VAL 7 34.335 -21.781 -21.105 54 HB VAL 7 HB VAL 7 33.180 -21.328 -23.867 55 HG11 VAL 7 HG11 VAL 7 33.228 -19.335 -22.467 56 HG12 VAL 7 HG12 VAL 7 34.411 -19.213 -23.768 57 HG13 VAL 7 HG13 VAL 7 34.939 -19.599 -22.129 58 HG21 VAL 7 HG21 VAL 7 36.065 -21.691 -23.061 59 HG22 VAL 7 HG22 VAL 7 35.489 -21.248 -24.667 60 HG23 VAL 7 HG23 VAL 7 35.100 -22.833 -23.998 61 H ASP 8 H ASP 8 32.720 -21.976 -19.498 62 HA ASP 8 HA ASP 8 30.328 -20.451 -20.114 63 HB2 ASP 8 HB2 ASP 8 29.562 -22.742 -20.472 64 HB3 ASP 8 HB3 ASP 8 30.187 -23.216 -18.896 65 H LYS 9 H LYS 9 30.591 -18.871 -18.871 66 HA LYS 9 HA LYS 9 30.316 -19.311 -16.025 67 HB2 LYS 9 HB2 LYS 9 32.590 -17.759 -17.258 68 HB3 LYS 9 HB3 LYS 9 32.012 -17.434 -15.639 69 HG2 LYS 9 HG2 LYS 9 32.454 -19.835 -15.086 70 HG3 LYS 9 HG3 LYS 9 33.229 -19.977 -16.663 71 HD2 LYS 9 HD2 LYS 9 34.817 -18.219 -16.035 72 HD3 LYS 9 HD3 LYS 9 34.049 -18.100 -14.449 73 HE2 LYS 9 HE2 LYS 9 34.601 -20.507 -14.084 74 HE3 LYS 9 HE3 LYS 9 35.506 -20.480 -15.598 75 HZ1 LYS 9 HZ1 LYS 9 36.064 -18.828 -13.193 76 HZ2 LYS 9 HZ2 LYS 9 36.915 -18.732 -14.659 77 HZ3 LYS 9 HZ3 LYS 9 36.976 -20.151 -13.733 78 H CYS 10 H CYS 10 28.230 -18.585 -16.340 79 HA CYS 10 HA CYS 10 27.673 -16.208 -17.834 80 HG CYS 10 HG CYS 10 26.547 -19.410 -15.544 81 HB2 CYS 10 HB2 CYS 10 25.333 -16.575 -17.027 82 HB3 CYS 10 HB3 CYS 10 26.038 -17.956 -17.862 83 H SER 11 H SER 11 27.106 -14.199 -17.130 84 HA SER 11 HA SER 11 27.751 -13.599 -14.334 85 HG SER 11 HG SER 11 29.119 -12.357 -17.295 86 HB2 SER 11 HB2 SER 11 27.260 -11.662 -16.609 87 HB3 SER 11 HB3 SER 11 27.974 -11.298 -15.038 88 H THR 12 H THR 12 25.991 -13.952 -13.097 89 HA THR 12 HA THR 12 23.441 -12.766 -13.966 90 HB THR 12 HB THR 12 22.449 -14.414 -12.257 91 HG1 THR 12 HG1 THR 12 24.397 -16.246 -12.636 92 HG21 THR 12 HG21 THR 12 23.759 -15.446 -14.776 93 HG22 THR 12 HG22 THR 12 22.165 -14.700 -14.656 94 HG23 THR 12 HG23 THR 12 22.467 -16.263 -13.896 95 H LYS 13 H LYS 13 22.108 -12.870 -11.539 96 HA LYS 13 HA LYS 13 21.758 -11.818 -9.574 97 HB2 LYS 13 HB2 LYS 13 24.764 -11.622 -9.518 98 HB3 LYS 13 HB3 LYS 13 23.752 -10.921 -8.265 99 HG2 LYS 13 HG2 LYS 13 24.431 -12.988 -7.419 100 HG3 LYS 13 HG3 LYS 13 22.775 -13.249 -7.966 101 HD2 LYS 13 HD2 LYS 13 23.617 -14.249 -10.030 102 HD3 LYS 13 HD3 LYS 13 25.276 -13.974 -9.493 103 HE2 LYS 13 HE2 LYS 13 24.857 -15.422 -7.549 104 HE3 LYS 13 HE3 LYS 13 23.229 -15.730 -8.150 105 HZ1 LYS 13 HZ1 LYS 13 24.754 -17.510 -8.739 106 HZ2 LYS 13 HZ2 LYS 13 25.747 -16.413 -9.575 107 HZ3 LYS 13 HZ3 LYS 13 24.176 -16.729 -10.127 108 H GLY 14 H GLY 14 21.211 -9.792 -8.908 109 HA2 GLY 14 HA2 GLY 14 22.195 -7.355 -9.225 110 HA3 GLY 14 HA3 GLY 14 21.681 -7.687 -10.873 111 H CYS 15 H CYS 15 20.717 -6.707 -7.750 112 HA CYS 15 HA CYS 15 17.917 -6.611 -8.645 113 HG CYS 15 HG CYS 15 18.608 -9.944 -6.195 114 HB2 CYS 15 HB2 CYS 15 18.855 -7.393 -5.880 115 HB3 CYS 15 HB3 CYS 15 17.176 -7.202 -6.380 116 H ALA 16 H ALA 16 16.663 -4.931 -7.802 117 HA ALA 16 HA ALA 16 17.862 -3.027 -5.963 118 HB1 ALA 16 HB1 ALA 16 17.409 -1.098 -7.403 119 HB2 ALA 16 HB2 ALA 16 16.905 -2.180 -8.701 120 HB3 ALA 16 HB3 ALA 16 18.580 -2.184 -8.150 121 H ILE 17 H ILE 17 16.213 -3.804 -4.585 122 HA ILE 17 HA ILE 17 13.542 -2.768 -5.182 123 HB ILE 17 HB ILE 17 12.519 -4.876 -4.279 124 HG12 ILE 17 HG12 ILE 17 15.276 -6.015 -4.785 125 HG13 ILE 17 HG13 ILE 17 14.563 -5.754 -3.196 126 HG21 ILE 17 HG21 ILE 17 14.068 -5.105 -6.854 127 HG22 ILE 17 HG22 ILE 17 12.458 -4.414 -6.649 128 HG23 ILE 17 HG23 ILE 17 12.718 -6.138 -6.384 129 HD11 ILE 17 HD11 ILE 17 12.804 -7.366 -3.734 130 HD12 ILE 17 HD12 ILE 17 14.413 -8.080 -3.845 131 HD13 ILE 17 HD13 ILE 17 13.543 -7.636 -5.313 132 H ASP 18 H ASP 18 12.134 -3.516 -3.113 133 HA ASP 18 HA ASP 18 11.667 -3.387 -0.908 134 HB2 ASP 18 HB2 ASP 18 13.623 -4.849 -0.553 135 HB3 ASP 18 HB3 ASP 18 14.652 -3.427 -0.459 136 H ILE 19 H ILE 19 11.065 -1.713 0.329 137 HA ILE 19 HA ILE 19 12.177 0.906 -0.423 138 HB ILE 19 HB ILE 19 9.578 0.539 1.044 139 HG12 ILE 19 HG12 ILE 19 9.848 0.442 -1.970 140 HG13 ILE 19 HG13 ILE 19 9.580 -0.978 -0.965 141 HG21 ILE 19 HG21 ILE 19 8.987 2.604 -0.125 142 HG22 ILE 19 HG22 ILE 19 10.540 2.578 -0.964 143 HG23 ILE 19 HG23 ILE 19 10.486 2.792 0.786 144 HD11 ILE 19 HD11 ILE 19 7.733 1.384 -1.213 145 HD12 ILE 19 HD12 ILE 19 7.454 -0.050 -0.225 146 HD13 ILE 19 HD13 ILE 19 7.521 -0.188 -1.982 147 H GLY 20 H GLY 20 12.924 -1.166 1.818 148 HA2 GLY 20 HA2 GLY 20 13.857 -0.922 3.927 149 HA3 GLY 20 HA3 GLY 20 13.369 0.768 3.921 150 H THR 21 H THR 21 11.038 1.168 4.135 151 HA THR 21 HA THR 21 8.948 0.890 4.931 152 HB THR 21 HB THR 21 9.627 -2.011 5.368 153 HG1 THR 21 HG1 THR 21 9.061 -2.340 3.303 154 HG21 THR 21 HG21 THR 21 7.644 -1.245 6.578 155 HG22 THR 21 HG22 THR 21 7.200 -2.324 5.256 156 HG23 THR 21 HG23 THR 21 6.985 -0.582 5.084 157 H VAL 22 H VAL 22 8.526 1.846 6.732 158 HA VAL 22 HA VAL 22 9.418 0.659 9.264 159 HB VAL 22 HB VAL 22 9.305 2.964 10.223 160 HG11 VAL 22 HG11 VAL 22 11.445 1.955 9.600 161 HG12 VAL 22 HG12 VAL 22 11.459 3.701 9.354 162 HG13 VAL 22 HG13 VAL 22 11.282 2.619 7.974 163 HG21 VAL 22 HG21 VAL 22 9.377 4.886 8.705 164 HG22 VAL 22 HG22 VAL 22 7.862 3.994 8.549 165 HG23 VAL 22 HG23 VAL 22 9.125 3.808 7.333 166 H ILE 23 H ILE 23 7.870 1.980 11.028 167 HA ILE 23 HA ILE 23 5.803 2.166 11.941 168 HB ILE 23 HB ILE 23 4.844 2.210 9.083 169 HG12 ILE 23 HG12 ILE 23 5.221 4.462 11.066 170 HG13 ILE 23 HG13 ILE 23 6.329 4.083 9.750 171 HG21 ILE 23 HG21 ILE 23 2.746 3.123 9.986 172 HG22 ILE 23 HG22 ILE 23 3.346 2.852 11.621 173 HG23 ILE 23 HG23 ILE 23 3.049 1.481 10.552 174 HD11 ILE 23 HD11 ILE 23 4.557 4.565 8.134 175 HD12 ILE 23 HD12 ILE 23 4.898 5.950 9.172 176 HD13 ILE 23 HD13 ILE 23 3.465 4.964 9.460 177 H ASP 24 H ASP 24 5.024 0.524 13.037 178 HA ASP 24 HA ASP 24 4.897 -2.106 11.842 179 HB2 ASP 24 HB2 ASP 24 4.269 -1.196 14.656 180 HB3 ASP 24 HB3 ASP 24 4.325 -2.871 14.121 181 H ASN 25 H ASN 25 3.177 -2.380 10.539 182 HA ASN 25 HA ASN 25 0.576 -1.382 11.073 183 HB2 ASN 25 HB2 ASN 25 1.631 -2.106 8.833 184 HB3 ASN 25 HB3 ASN 25 1.220 -3.746 9.320 185 HD21 ASN 25 HD21 ASN 25 0.277 -2.153 7.094 186 HD22 ASN 25 HD22 ASN 25 -1.439 -2.087 7.248 187 H ASP 26 H ASP 26 -1.139 -2.350 12.079 188 HA ASP 26 HA ASP 26 -0.441 -4.480 13.906 189 HB2 ASP 26 HB2 ASP 26 -2.914 -2.773 13.643 190 HB3 ASP 26 HB3 ASP 26 -2.741 -4.048 14.843 191 H ASN 27 H ASN 27 -1.736 -4.432 10.821 192 HA ASN 27 HA ASN 27 -2.648 -7.166 11.175 193 HB2 ASN 27 HB2 ASN 27 -4.791 -6.925 10.220 194 HB3 ASN 27 HB3 ASN 27 -4.672 -5.635 11.404 195 HD21 ASN 27 HD21 ASN 27 -3.052 -3.886 9.745 196 HD22 ASN 27 HD22 ASN 27 -4.092 -3.300 8.498 197 H CYS 28 H CYS 28 -3.157 -8.171 8.959 198 HA CYS 28 HA CYS 28 -0.993 -7.294 7.176 199 HG CYS 28 HG CYS 28 -0.460 -9.153 9.588 200 HB2 CYS 28 HB2 CYS 28 -2.352 -9.980 7.464 201 HB3 CYS 28 HB3 CYS 28 -1.108 -9.618 6.271 202 H THR 29 H THR 29 -4.007 -6.512 7.332 203 HA THR 29 HA THR 29 -4.606 -6.969 4.495 204 HB THR 29 HB THR 29 -6.474 -5.930 6.636 205 HG1 THR 29 HG1 THR 29 -7.192 -7.962 6.879 206 HG21 THR 29 HG21 THR 29 -8.228 -6.450 4.999 207 HG22 THR 29 HG22 THR 29 -6.989 -6.915 3.833 208 HG23 THR 29 HG23 THR 29 -7.097 -5.244 4.383 209 H SER 30 H SER 30 -4.528 -5.323 3.105 210 HA SER 30 HA SER 30 -3.888 -2.665 4.149 211 HG SER 30 HG SER 30 -2.493 -1.441 2.506 212 HB2 SER 30 HB2 SER 30 -2.383 -3.694 2.437 213 HB3 SER 30 HB3 SER 30 -3.734 -3.702 1.302 214 H LYS 31 H LYS 31 -5.532 -1.303 4.379 215 HA LYS 31 HA LYS 31 -7.900 -1.598 2.668 216 HB2 LYS 31 HB2 LYS 31 -7.450 -0.097 5.251 217 HB3 LYS 31 HB3 LYS 31 -8.895 0.107 4.278 218 HG2 LYS 31 HG2 LYS 31 -9.340 -1.394 6.102 219 HG3 LYS 31 HG3 LYS 31 -9.403 -2.285 4.581 220 HD2 LYS 31 HD2 LYS 31 -7.461 -3.437 5.021 221 HD3 LYS 31 HD3 LYS 31 -6.847 -2.190 6.105 222 HE2 LYS 31 HE2 LYS 31 -9.157 -4.036 6.708 223 HE3 LYS 31 HE3 LYS 31 -7.505 -4.264 7.282 224 HZ1 LYS 31 HZ1 LYS 31 -7.707 -2.044 8.370 225 HZ2 LYS 31 HZ2 LYS 31 -8.738 -3.228 9.008 226 HZ3 LYS 31 HZ3 LYS 31 -9.359 -2.040 7.967 227 H PHE 32 H PHE 32 -7.872 -0.436 0.896 228 HA PHE 32 HA PHE 32 -6.726 2.274 1.022 229 HD1 PHE 32 HD2 PHE 32 -4.647 3.202 -0.062 230 HD2 PHE 32 HD1 PHE 32 -7.014 1.721 -3.275 231 HE1 PHE 32 HE2 PHE 32 -4.016 5.153 -1.421 232 HE2 PHE 32 HE1 PHE 32 -6.388 3.671 -4.637 233 HZ PHE 32 HZ PHE 32 -4.897 5.391 -3.709 234 HB2 PHE 32 HB2 PHE 32 -5.366 0.704 -0.348 235 HB3 PHE 32 HB3 PHE 32 -6.764 0.435 -1.384 236 H SER 33 H SER 33 -8.199 3.796 0.788 237 HA SER 33 HA SER 33 -10.641 3.201 -0.748 238 HG SER 33 HG SER 33 -11.251 2.326 1.739 239 HB2 SER 33 HB2 SER 33 -10.570 5.094 1.599 240 HB3 SER 33 HB3 SER 33 -11.962 4.291 0.874 241 H ARG 34 H ARG 34 -11.159 4.607 -2.308 242 HA ARG 34 HA ARG 34 -9.943 7.277 -2.280 243 HE ARG 34 HE ARG 34 -5.792 7.268 -2.349 244 HB2 ARG 34 HB2 ARG 34 -9.676 5.181 -4.387 245 HB3 ARG 34 HB3 ARG 34 -9.688 6.874 -4.844 246 HG2 ARG 34 HG2 ARG 34 -7.767 5.563 -2.943 247 HG3 ARG 34 HG3 ARG 34 -7.421 6.089 -4.594 248 HD2 ARG 34 HD2 ARG 34 -8.019 8.403 -3.911 249 HD3 ARG 34 HD3 ARG 34 -8.172 7.825 -2.254 250 HH11 ARG 34 HH11 ARG 34 -7.108 9.496 -4.682 251 HH12 ARG 34 HH12 ARG 34 -5.582 10.248 -5.043 252 HH21 ARG 34 HH21 ARG 34 -3.767 8.254 -2.776 253 HH22 ARG 34 HH22 ARG 34 -3.655 9.507 -3.969 254 H PHE 35 H PHE 35 -11.038 8.847 -3.549 255 HA PHE 35 HA PHE 35 -13.805 8.124 -4.217 256 HD1 PHE 35 HD2 PHE 35 -15.659 9.102 -2.447 257 HD2 PHE 35 HD1 PHE 35 -11.846 10.699 -1.435 258 HE1 PHE 35 HE2 PHE 35 -16.156 8.767 -0.061 259 HE2 PHE 35 HE1 PHE 35 -12.336 10.368 0.953 260 HZ PHE 35 HZ PHE 35 -14.499 9.399 1.641 261 HB2 PHE 35 HB2 PHE 35 -12.616 10.845 -3.634 262 HB3 PHE 35 HB3 PHE 35 -14.302 10.537 -4.028 263 H PHE 36 H PHE 36 -14.543 8.369 -6.249 264 HA PHE 36 HA PHE 36 -12.813 9.739 -8.193 265 HD1 PHE 36 HD2 PHE 36 -10.820 8.517 -9.491 266 HD2 PHE 36 HD1 PHE 36 -12.890 5.614 -7.173 267 HE1 PHE 36 HE2 PHE 36 -8.671 7.538 -8.805 268 HE2 PHE 36 HE1 PHE 36 -10.746 4.633 -6.482 269 HZ PHE 36 HZ PHE 36 -8.633 5.596 -7.296 270 HB2 PHE 36 HB2 PHE 36 -14.087 7.020 -8.584 271 HB3 PHE 36 HB3 PHE 36 -13.270 7.940 -9.844 272 H ALA 37 H ALA 37 -14.009 10.085 -10.309 273 HA ALA 37 HA ALA 37 -16.370 11.543 -9.739 274 HB1 ALA 37 HB1 ALA 37 -16.427 12.031 -12.110 275 HB2 ALA 37 HB2 ALA 37 -15.270 10.739 -12.432 276 HB3 ALA 37 HB3 ALA 37 -14.773 12.160 -11.511 277 H THR 38 H THR 38 -15.856 8.650 -11.760 278 HA THR 38 HA THR 38 -18.669 7.928 -11.274 279 HB THR 38 HB THR 38 -18.751 6.932 -13.520 280 HG1 THR 38 HG1 THR 38 -16.723 8.006 -14.775 281 HG21 THR 38 HG21 THR 38 -18.790 8.991 -14.839 282 HG22 THR 38 HG22 THR 38 -17.852 9.816 -13.595 283 HG23 THR 38 HG23 THR 38 -19.489 9.263 -13.242 284 H ARG 39 H ARG 39 -19.067 5.558 -11.614 285 HA ARG 39 HA ARG 39 -17.280 4.003 -10.082 286 HE ARG 39 HE ARG 39 -19.260 -1.143 -10.882 287 HB2 ARG 39 HB2 ARG 39 -19.602 3.440 -10.101 288 HB3 ARG 39 HB3 ARG 39 -19.613 3.247 -11.843 289 HG2 ARG 39 HG2 ARG 39 -18.137 1.291 -11.612 290 HG3 ARG 39 HG3 ARG 39 -18.180 1.492 -9.859 291 HD2 ARG 39 HD2 ARG 39 -20.689 1.296 -10.025 292 HD3 ARG 39 HD3 ARG 39 -20.450 0.794 -11.700 293 HH11 ARG 39 HH11 ARG 39 -21.072 0.697 -8.515 294 HH12 ARG 39 HH12 ARG 39 -21.126 -0.597 -7.361 295 HH21 ARG 39 HH21 ARG 39 -19.348 -2.873 -9.358 296 HH22 ARG 39 HH22 ARG 39 -20.168 -2.621 -7.837 297 H GLU 40 H GLU 40 -17.649 4.581 -13.480 298 HA GLU 40 HA GLU 40 -16.042 2.580 -14.578 299 HB2 GLU 40 HB2 GLU 40 -16.354 5.467 -15.414 300 HB3 GLU 40 HB3 GLU 40 -15.675 4.190 -16.411 301 HG2 GLU 40 HG2 GLU 40 -17.752 3.075 -16.548 302 HG3 GLU 40 HG3 GLU 40 -18.462 4.098 -15.303 303 H GLU 41 H GLU 41 -15.215 5.804 -13.417 304 HA GLU 41 HA GLU 41 -12.457 5.737 -13.875 305 HB2 GLU 41 HB2 GLU 41 -13.944 7.162 -11.661 306 HB3 GLU 41 HB3 GLU 41 -12.317 7.534 -12.202 307 HG2 GLU 41 HG2 GLU 41 -14.829 7.803 -13.834 308 HG3 GLU 41 HG3 GLU 41 -13.935 9.116 -13.069 309 H ALA 42 H ALA 42 -14.391 4.328 -11.370 310 HA ALA 42 HA ALA 42 -12.266 3.949 -9.483 311 HB1 ALA 42 HB1 ALA 42 -14.952 2.583 -9.627 312 HB2 ALA 42 HB2 ALA 42 -14.618 4.101 -8.793 313 HB3 ALA 42 HB3 ALA 42 -13.863 2.605 -8.240 314 H GLU 43 H GLU 43 -13.876 1.916 -11.893 315 HA GLU 43 HA GLU 43 -12.504 -0.480 -11.326 316 HB2 GLU 43 HB2 GLU 43 -13.596 0.447 -13.986 317 HB3 GLU 43 HB3 GLU 43 -13.225 -1.212 -13.535 318 HG2 GLU 43 HG2 GLU 43 -14.969 -1.163 -11.848 319 HG3 GLU 43 HG3 GLU 43 -15.327 0.516 -12.254 320 H SER 44 H SER 44 -11.749 2.290 -13.313 321 HA SER 44 HA SER 44 -9.537 1.295 -14.700 322 HG SER 44 HG SER 44 -8.535 3.464 -15.983 323 HB2 SER 44 HB2 SER 44 -10.587 3.425 -15.277 324 HB3 SER 44 HB3 SER 44 -10.095 4.112 -13.729 325 H PHE 45 H PHE 45 -9.837 2.641 -11.449 326 HA PHE 45 HA PHE 45 -6.985 2.720 -11.061 327 HD1 PHE 45 HD1 PHE 45 -6.624 5.305 -10.410 328 HD2 PHE 45 HD2 PHE 45 -7.414 2.826 -7.042 329 HE1 PHE 45 HE1 PHE 45 -4.706 6.303 -9.233 330 HE2 PHE 45 HE2 PHE 45 -5.500 3.818 -5.860 331 HZ PHE 45 HZ PHE 45 -4.145 5.557 -6.953 332 HB2 PHE 45 HB2 PHE 45 -8.872 4.208 -9.984 333 HB3 PHE 45 HB3 PHE 45 -8.941 2.904 -8.803 334 H MET 46 H MET 46 -9.626 0.545 -10.391 335 HA MET 46 HA MET 46 -8.255 -1.158 -8.582 336 HB2 MET 46 HB2 MET 46 -10.688 -1.202 -8.771 337 HB3 MET 46 HB3 MET 46 -10.571 -1.725 -10.444 338 HG2 MET 46 HG2 MET 46 -11.140 -3.562 -8.939 339 HG3 MET 46 HG3 MET 46 -9.604 -3.829 -9.760 340 HE1 MET 46 HE1 MET 46 -10.256 -1.410 -6.731 341 HE2 MET 46 HE2 MET 46 -9.906 -2.464 -5.361 342 HE3 MET 46 HE3 MET 46 -11.318 -2.773 -6.372 343 H THR 47 H THR 47 -8.341 -0.875 -12.054 344 HA THR 47 HA THR 47 -7.259 -3.385 -12.731 345 HB THR 47 HB THR 47 -6.856 -0.780 -14.226 346 HG1 THR 47 HG1 THR 47 -9.102 -1.287 -13.745 347 HG21 THR 47 HG21 THR 47 -6.700 -2.220 -16.200 348 HG22 THR 47 HG22 THR 47 -6.900 -3.649 -15.186 349 HG23 THR 47 HG23 THR 47 -5.459 -2.645 -15.020 350 H LYS 48 H LYS 48 -5.664 -0.243 -12.147 351 HA LYS 48 HA LYS 48 -3.047 -1.339 -12.409 352 HB2 LYS 48 HB2 LYS 48 -2.250 0.805 -11.511 353 HB3 LYS 48 HB3 LYS 48 -3.355 0.993 -12.863 354 HG2 LYS 48 HG2 LYS 48 -5.106 1.699 -11.462 355 HG3 LYS 48 HG3 LYS 48 -4.238 1.200 -10.008 356 HD2 LYS 48 HD2 LYS 48 -3.273 3.340 -11.889 357 HD3 LYS 48 HD3 LYS 48 -4.229 3.648 -10.443 358 HE2 LYS 48 HE2 LYS 48 -2.512 2.686 -9.046 359 HE3 LYS 48 HE3 LYS 48 -1.575 2.229 -10.468 360 HZ1 LYS 48 HZ1 LYS 48 -2.251 5.033 -9.782 361 HZ2 LYS 48 HZ2 LYS 48 -1.173 4.494 -10.977 362 HZ3 LYS 48 HZ3 LYS 48 -0.802 4.280 -9.339 363 H LEU 49 H LEU 49 -5.281 -0.939 -9.765 364 HA LEU 49 HA LEU 49 -3.508 -1.323 -7.624 365 HG LEU 49 HG LEU 49 -6.510 -0.579 -5.740 366 HB2 LEU 49 HB2 LEU 49 -6.367 -1.342 -8.033 367 HB3 LEU 49 HB3 LEU 49 -5.894 -2.635 -6.946 368 HD11 LEU 49 HD11 LEU 49 -3.599 -1.333 -5.545 369 HD12 LEU 49 HD12 LEU 49 -4.943 -2.106 -4.704 370 HD13 LEU 49 HD13 LEU 49 -4.502 -0.441 -4.323 371 HD21 LEU 49 HD21 LEU 49 -5.053 1.381 -5.853 372 HD22 LEU 49 HD22 LEU 49 -5.807 1.049 -7.413 373 HD23 LEU 49 HD23 LEU 49 -4.120 0.614 -7.140 374 H LYS 50 H LYS 50 -5.223 -3.624 -9.699 375 HA LYS 50 HA LYS 50 -4.374 -5.993 -8.495 376 HB2 LYS 50 HB2 LYS 50 -5.052 -5.275 -11.341 377 HB3 LYS 50 HB3 LYS 50 -4.682 -6.920 -10.845 378 HG2 LYS 50 HG2 LYS 50 -6.628 -7.166 -9.699 379 HG3 LYS 50 HG3 LYS 50 -6.743 -5.450 -9.306 380 HD2 LYS 50 HD2 LYS 50 -7.637 -4.908 -11.374 381 HD3 LYS 50 HD3 LYS 50 -7.020 -6.374 -12.127 382 HE2 LYS 50 HE2 LYS 50 -8.631 -7.710 -10.870 383 HE3 LYS 50 HE3 LYS 50 -9.222 -6.258 -10.065 384 HZ1 LYS 50 HZ1 LYS 50 -10.004 -5.416 -12.163 385 HZ2 LYS 50 HZ2 LYS 50 -10.643 -6.967 -11.910 386 HZ3 LYS 50 HZ3 LYS 50 -9.355 -6.745 -12.993 387 H GLU 51 H GLU 51 -2.805 -3.955 -10.934 388 HA GLU 51 HA GLU 51 -0.565 -5.614 -11.375 389 HB2 GLU 51 HB2 GLU 51 -0.761 -2.605 -11.607 390 HB3 GLU 51 HB3 GLU 51 0.507 -3.607 -12.300 391 HG2 GLU 51 HG2 GLU 51 -1.256 -4.768 -13.630 392 HG3 GLU 51 HG3 GLU 51 -2.401 -3.561 -13.046 393 H LEU 52 H LEU 52 -1.131 -2.911 -9.162 394 HA LEU 52 HA LEU 52 1.419 -2.838 -7.997 395 HG LEU 52 HG LEU 52 -0.758 -0.747 -8.770 396 HB2 LEU 52 HB2 LEU 52 -1.254 -2.125 -6.788 397 HB3 LEU 52 HB3 LEU 52 0.301 -1.696 -6.103 398 HD11 LEU 52 HD11 LEU 52 -1.937 0.241 -6.865 399 HD12 LEU 52 HD12 LEU 52 -0.931 1.429 -7.694 400 HD13 LEU 52 HD13 LEU 52 -0.393 0.730 -6.167 401 HD21 LEU 52 HD21 LEU 52 1.760 -0.023 -7.279 402 HD22 LEU 52 HD22 LEU 52 1.192 0.727 -8.769 403 HD23 LEU 52 HD23 LEU 52 1.670 -0.971 -8.761 404 H ALA 53 H ALA 53 -1.490 -4.650 -7.123 405 HA ALA 53 HA ALA 53 -0.467 -5.839 -4.785 406 HB1 ALA 53 HB1 ALA 53 -2.858 -5.778 -5.329 407 HB2 ALA 53 HB2 ALA 53 -2.305 -7.417 -4.987 408 HB3 ALA 53 HB3 ALA 53 -2.581 -6.910 -6.654 409 H ALA 54 H ALA 54 -0.463 -6.884 -8.167 410 HA ALA 54 HA ALA 54 0.679 -9.420 -7.782 411 HB1 ALA 54 HB1 ALA 54 0.921 -7.620 -10.193 412 HB2 ALA 54 HB2 ALA 54 -0.409 -8.732 -9.871 413 HB3 ALA 54 HB3 ALA 54 1.214 -9.360 -10.156 414 H ALA 55 H ALA 55 2.157 -6.266 -8.401 415 HA ALA 55 HA ALA 55 4.826 -7.214 -8.531 416 HB1 ALA 55 HB1 ALA 55 4.141 -5.081 -9.511 417 HB2 ALA 55 HB2 ALA 55 5.472 -4.871 -8.373 418 HB3 ALA 55 HB3 ALA 55 3.830 -4.436 -7.899 419 H ALA 56 H ALA 56 2.794 -6.034 -5.931 420 HA ALA 56 HA ALA 56 4.868 -5.813 -3.999 421 HB1 ALA 56 HB1 ALA 56 2.769 -4.564 -3.822 422 HB2 ALA 56 HB2 ALA 56 3.067 -5.543 -2.386 423 HB3 ALA 56 HB3 ALA 56 1.893 -6.078 -3.587 424 H SER 57 H SER 57 2.330 -8.240 -4.550 425 HA SER 57 HA SER 57 3.025 -9.839 -2.351 426 HG SER 57 HG SER 57 1.132 -9.625 -5.457 427 HB2 SER 57 HB2 SER 57 1.600 -11.574 -3.458 428 HB3 SER 57 HB3 SER 57 0.815 -10.004 -3.303 429 H SER 58 H SER 58 4.465 -11.343 -2.054 430 HA SER 58 HA SER 58 5.970 -12.372 -4.377 431 HG SER 58 HG SER 58 6.472 -10.012 -2.878 432 HB2 SER 58 HB2 SER 58 7.065 -11.998 -1.580 433 HB3 SER 58 HB3 SER 58 7.969 -12.404 -3.039 434 H ALA 59 H ALA 59 3.901 -12.983 -1.862 435 HA ALA 59 HA ALA 59 4.782 -15.451 -0.863 436 HB1 ALA 59 HB1 ALA 59 3.145 -14.064 0.279 437 HB2 ALA 59 HB2 ALA 59 2.521 -15.692 0.009 438 HB3 ALA 59 HB3 ALA 59 1.981 -14.358 -1.013 439 H ASP 60 H ASP 60 2.157 -14.835 -3.231 440 HA ASP 60 HA ASP 60 2.721 -17.474 -4.351 441 HB2 ASP 60 HB2 ASP 60 0.914 -17.710 -2.671 442 HB3 ASP 60 HB3 ASP 60 -0.058 -16.580 -3.609 443 H GLU 61 H GLU 61 -0.121 -15.571 -5.061 444 HA GLU 61 HA GLU 61 1.089 -14.777 -7.627 445 HB2 GLU 61 HB2 GLU 61 -0.547 -16.658 -7.880 446 HB3 GLU 61 HB3 GLU 61 -1.785 -15.625 -7.179 447 HG2 GLU 61 HG2 GLU 61 -1.348 -14.014 -9.055 448 HG3 GLU 61 HG3 GLU 61 -0.354 -15.269 -9.790 449 H GLY 62 H GLY 62 -0.716 -14.017 -4.840 450 HA2 GLY 62 HA2 GLY 62 -0.655 -11.240 -5.214 451 HA3 GLY 62 HA3 GLY 62 -2.217 -11.822 -5.772 452 H ALA 63 H ALA 63 -3.546 -11.084 -4.234 453 HA ALA 63 HA ALA 63 -3.227 -12.149 -1.540 454 HB1 ALA 63 HB1 ALA 63 -2.123 -9.957 -1.480 455 HB2 ALA 63 HB2 ALA 63 -3.585 -9.973 -0.494 456 HB3 ALA 63 HB3 ALA 63 -3.598 -9.199 -2.079 457 H SER 64 H SER 64 -5.198 -11.955 -0.276 458 HA SER 64 HA SER 64 -7.561 -12.399 -1.794 459 HG SER 64 HG SER 64 -7.547 -14.357 -0.196 460 HB2 SER 64 HB2 SER 64 -7.210 -11.884 1.172 461 HB3 SER 64 HB3 SER 64 -8.671 -12.507 0.408 462 H VAL 65 H VAL 65 -8.534 -10.796 -2.860 463 HA VAL 65 HA VAL 65 -8.465 -8.113 -1.705 464 HB VAL 65 HB VAL 65 -7.588 -8.160 -3.926 465 HG11 VAL 65 HG11 VAL 65 -8.853 -8.923 -5.868 466 HG12 VAL 65 HG12 VAL 65 -10.177 -9.423 -4.817 467 HG13 VAL 65 HG13 VAL 65 -8.614 -10.233 -4.711 468 HG21 VAL 65 HG21 VAL 65 -10.371 -7.000 -3.930 469 HG22 VAL 65 HG22 VAL 65 -9.106 -6.607 -5.093 470 HG23 VAL 65 HG23 VAL 65 -8.895 -6.198 -3.391 471 H ALA 66 H ALA 66 -10.140 -7.551 -0.556 472 HA ALA 66 HA ALA 66 -12.828 -8.255 -1.552 473 HB1 ALA 66 HB1 ALA 66 -12.388 -9.277 0.625 474 HB2 ALA 66 HB2 ALA 66 -13.637 -8.038 0.750 475 HB3 ALA 66 HB3 ALA 66 -11.995 -7.695 1.297 476 H TYR 67 H TYR 67 -13.553 -6.530 -2.628 477 HA TYR 67 HA TYR 67 -13.134 -3.885 -1.413 478 HD1 TYR 67 HD2 TYR 67 -11.798 -6.393 -4.526 479 HD2 TYR 67 HD1 TYR 67 -14.053 -2.893 -5.406 480 HE1 TYR 67 HE2 TYR 67 -12.398 -7.335 -6.714 481 HE2 TYR 67 HE1 TYR 67 -14.659 -3.828 -7.601 482 HH TYR 67 HH TYR 67 -14.111 -7.112 -8.412 483 HB2 TYR 67 HB2 TYR 67 -12.553 -2.918 -3.545 484 HB3 TYR 67 HB3 TYR 67 -11.484 -4.282 -3.249 485 H LYS 68 H LYS 68 -14.680 -2.266 -2.058 486 HA LYS 68 HA LYS 68 -16.905 -3.253 -3.678 487 HB2 LYS 68 HB2 LYS 68 -18.572 -2.549 -2.253 488 HB3 LYS 68 HB3 LYS 68 -17.378 -3.129 -1.110 489 HG2 LYS 68 HG2 LYS 68 -17.460 -0.245 -1.889 490 HG3 LYS 68 HG3 LYS 68 -18.562 -0.884 -0.677 491 HD2 LYS 68 HD2 LYS 68 -15.570 -1.164 -0.526 492 HD3 LYS 68 HD3 LYS 68 -16.469 0.158 0.223 493 HE2 LYS 68 HE2 LYS 68 -17.836 -1.669 1.373 494 HE3 LYS 68 HE3 LYS 68 -16.563 -2.775 0.859 495 HZ1 LYS 68 HZ1 LYS 68 -16.278 -0.419 2.642 496 HZ2 LYS 68 HZ2 LYS 68 -14.961 -1.292 2.024 497 HZ3 LYS 68 HZ3 LYS 68 -16.075 -2.051 3.056 498 H ILE 69 H ILE 69 -17.868 -1.737 -4.955 499 HA ILE 69 HA ILE 69 -16.585 0.906 -5.061 500 HB ILE 69 HB ILE 69 -18.133 -0.437 -7.286 501 HG12 ILE 69 HG12 ILE 69 -15.128 -0.197 -6.980 502 HG13 ILE 69 HG13 ILE 69 -16.050 -1.681 -6.763 503 HG21 ILE 69 HG21 ILE 69 -16.360 2.004 -7.248 504 HG22 ILE 69 HG22 ILE 69 -18.116 1.987 -7.397 505 HG23 ILE 69 HG23 ILE 69 -17.118 1.312 -8.684 506 HD11 ILE 69 HD11 ILE 69 -15.788 -0.105 -9.315 507 HD12 ILE 69 HD12 ILE 69 -16.745 -1.572 -9.111 508 HD13 ILE 69 HD13 ILE 69 -14.991 -1.633 -8.937 509 H LYS 70 H LYS 70 -17.841 2.250 -3.919 510 HA LYS 70 HA LYS 70 -20.707 1.736 -3.862 511 HB2 LYS 70 HB2 LYS 70 -19.588 2.072 -1.720 512 HB3 LYS 70 HB3 LYS 70 -19.046 3.661 -2.240 513 HG2 LYS 70 HG2 LYS 70 -20.989 3.734 -0.724 514 HG3 LYS 70 HG3 LYS 70 -21.298 4.481 -2.289 515 HD2 LYS 70 HD2 LYS 70 -23.211 3.165 -1.682 516 HD3 LYS 70 HD3 LYS 70 -22.386 2.368 -3.021 517 HE2 LYS 70 HE2 LYS 70 -21.290 0.859 -1.403 518 HE3 LYS 70 HE3 LYS 70 -22.197 1.632 -0.103 519 HZ1 LYS 70 HZ1 LYS 70 -23.196 -0.092 -2.281 520 HZ2 LYS 70 HZ2 LYS 70 -24.237 0.994 -1.492 521 HZ3 LYS 70 HZ3 LYS 70 -23.454 -0.220 -0.606 522 H ASP 71 H ASP 71 -22.011 2.725 -5.119 523 HA ASP 71 HA ASP 71 -21.241 4.971 -6.741 524 HB2 ASP 71 HB2 ASP 71 -23.990 3.741 -6.402 525 HB3 ASP 71 HB3 ASP 71 -23.427 4.733 -7.736 526 H LEU 72 H LEU 72 -20.943 6.754 -5.429 527 HA LEU 72 HA LEU 72 -22.845 7.330 -3.307 528 HG LEU 72 HG LEU 72 -19.914 6.519 -3.039 529 HB2 LEU 72 HB2 LEU 72 -20.293 8.712 -4.132 530 HB3 LEU 72 HB3 LEU 72 -21.283 9.194 -2.769 531 HD11 LEU 72 HD11 LEU 72 -19.162 8.949 -1.421 532 HD12 LEU 72 HD12 LEU 72 -18.275 8.283 -2.792 533 HD13 LEU 72 HD13 LEU 72 -18.401 7.364 -1.293 534 HD21 LEU 72 HD21 LEU 72 -20.480 6.284 -0.659 535 HD22 LEU 72 HD22 LEU 72 -21.918 6.410 -1.672 536 HD23 LEU 72 HD23 LEU 72 -21.376 7.800 -0.732 537 H GLU 73 H GLU 73 -22.738 10.063 -3.209 538 HA GLU 73 HA GLU 73 -24.553 10.722 -5.387 539 HB2 GLU 73 HB2 GLU 73 -23.953 12.222 -2.833 540 HB3 GLU 73 HB3 GLU 73 -25.235 12.596 -3.978 541 HG2 GLU 73 HG2 GLU 73 -26.276 10.428 -3.507 542 HG3 GLU 73 HG3 GLU 73 -25.002 10.080 -2.339 543 H GLY 74 H GLY 74 -23.284 11.262 -7.106 544 HA2 GLY 74 HA2 GLY 74 -22.393 13.030 -8.377 545 HA3 GLY 74 HA3 GLY 74 -21.906 13.830 -6.891 546 H GLN 75 H GLN 75 -20.967 10.809 -6.384 547 HA GLN 75 HA GLN 75 -18.629 10.621 -8.023 548 HB2 GLN 75 HB2 GLN 75 -17.016 10.781 -6.110 549 HB3 GLN 75 HB3 GLN 75 -17.767 12.314 -6.532 550 HG2 GLN 75 HG2 GLN 75 -19.233 12.189 -4.652 551 HG3 GLN 75 HG3 GLN 75 -18.696 10.551 -4.280 552 HE21 GLN 75 HE21 GLN 75 -18.106 11.174 -2.201 553 HE22 GLN 75 HE22 GLN 75 -16.673 12.098 -1.898 554 H VAL 76 H VAL 76 -17.144 8.815 -6.841 555 HA VAL 76 HA VAL 76 -18.928 6.883 -5.515 556 HB VAL 76 HB VAL 76 -17.898 5.035 -6.752 557 HG11 VAL 76 HG11 VAL 76 -19.126 7.109 -8.562 558 HG12 VAL 76 HG12 VAL 76 -20.005 5.951 -7.563 559 HG13 VAL 76 HG13 VAL 76 -19.008 5.383 -8.902 560 HG21 VAL 76 HG21 VAL 76 -15.763 6.032 -7.292 561 HG22 VAL 76 HG22 VAL 76 -16.550 7.195 -8.359 562 HG23 VAL 76 HG23 VAL 76 -16.561 5.477 -8.765 563 H GLU 77 H GLU 77 -17.841 5.311 -4.213 564 HA GLU 77 HA GLU 77 -15.123 6.129 -3.445 565 HB2 GLU 77 HB2 GLU 77 -16.700 6.413 -1.606 566 HB3 GLU 77 HB3 GLU 77 -17.229 4.742 -1.772 567 HG2 GLU 77 HG2 GLU 77 -15.054 3.942 -1.111 568 HG3 GLU 77 HG3 GLU 77 -14.429 5.588 -1.065 569 H LEU 78 H LEU 78 -13.612 4.828 -4.074 570 HA LEU 78 HA LEU 78 -14.211 2.003 -4.573 571 HG LEU 78 HG LEU 78 -11.476 1.843 -7.079 572 HB2 LEU 78 HB2 LEU 78 -13.065 3.379 -6.334 573 HB3 LEU 78 HB3 LEU 78 -11.717 3.588 -5.237 574 HD11 LEU 78 HD11 LEU 78 -11.030 0.972 -4.232 575 HD12 LEU 78 HD12 LEU 78 -9.939 1.965 -5.198 576 HD13 LEU 78 HD13 LEU 78 -10.245 0.290 -5.657 577 HD21 LEU 78 HD21 LEU 78 -13.661 0.819 -6.904 578 HD22 LEU 78 HD22 LEU 78 -13.318 0.317 -5.248 579 HD23 LEU 78 HD23 LEU 78 -12.403 -0.375 -6.587 580 H ASP 79 H ASP 79 -13.903 0.716 -2.892 581 HA ASP 79 HA ASP 79 -11.695 1.359 -1.039 582 HB2 ASP 79 HB2 ASP 79 -13.729 1.966 0.100 583 HB3 ASP 79 HB3 ASP 79 -14.487 0.436 -0.333 584 H ALA 80 H ALA 80 -10.236 -0.183 -1.101 585 HA ALA 80 HA ALA 80 -11.128 -2.950 -1.590 586 HB1 ALA 80 HB1 ALA 80 -9.144 -3.334 -2.917 587 HB2 ALA 80 HB2 ALA 80 -8.601 -1.680 -2.632 588 HB3 ALA 80 HB3 ALA 80 -10.058 -1.980 -3.579 589 H ALA 81 H ALA 81 -10.588 -4.338 -0.068 590 HA ALA 81 HA ALA 81 -8.316 -3.708 1.687 591 HB1 ALA 81 HB1 ALA 81 -10.455 -3.948 2.851 592 HB2 ALA 81 HB2 ALA 81 -9.329 -5.226 3.308 593 HB3 ALA 81 HB3 ALA 81 -10.641 -5.568 2.180 594 H PHE 82 H PHE 82 -6.532 -4.696 1.048 595 HA PHE 82 HA PHE 82 -6.712 -7.335 -0.241 596 HD1 PHE 82 HD1 PHE 82 -5.956 -3.658 -1.250 597 HD2 PHE 82 HD2 PHE 82 -5.087 -7.458 -2.959 598 HE1 PHE 82 HE1 PHE 82 -6.727 -2.847 -3.441 599 HE2 PHE 82 HE2 PHE 82 -5.859 -6.651 -5.150 600 HZ PHE 82 HZ PHE 82 -6.681 -4.339 -5.392 601 HB2 PHE 82 HB2 PHE 82 -4.485 -5.289 -0.130 602 HB3 PHE 82 HB3 PHE 82 -4.277 -6.901 -0.798 603 H THR 83 H THR 83 -6.556 -8.981 1.146 604 HA THR 83 HA THR 83 -4.788 -8.775 3.462 605 HB THR 83 HB THR 83 -6.576 -11.057 2.593 606 HG1 THR 83 HG1 THR 83 -6.937 -8.891 4.405 607 HG21 THR 83 HG21 THR 83 -4.740 -11.818 4.018 608 HG22 THR 83 HG22 THR 83 -6.269 -11.876 4.893 609 HG23 THR 83 HG23 THR 83 -5.129 -10.567 5.202 610 H PHE 84 H PHE 84 -2.708 -9.023 2.941 611 HA PHE 84 HA PHE 84 -1.868 -10.717 0.770 612 HD1 PHE 84 HD2 PHE 84 -1.710 -7.101 1.980 613 HD2 PHE 84 HD1 PHE 84 0.589 -9.489 -0.687 614 HE1 PHE 84 HE2 PHE 84 -1.866 -5.336 0.273 615 HE2 PHE 84 HE1 PHE 84 0.436 -7.731 -2.400 616 HZ PHE 84 HZ PHE 84 -0.788 -5.653 -1.919 617 HB2 PHE 84 HB2 PHE 84 -0.388 -9.017 2.771 618 HB3 PHE 84 HB3 PHE 84 0.452 -10.053 1.621 619 H SER 85 H SER 85 0.149 -12.166 1.265 620 HA SER 85 HA SER 85 -0.811 -14.039 3.329 621 HG SER 85 HG SER 85 -1.545 -14.075 0.902 622 HB2 SER 85 HB2 SER 85 0.995 -14.597 0.963 623 HB3 SER 85 HB3 SER 85 0.273 -15.790 2.042 624 H CYS 86 H CYS 86 1.784 -12.003 2.385 625 HA CYS 86 HA CYS 86 3.252 -12.872 4.793 626 HG CYS 86 HG CYS 86 6.177 -12.744 4.944 627 HB2 CYS 86 HB2 CYS 86 4.561 -13.383 2.796 628 HB3 CYS 86 HB3 CYS 86 4.374 -11.735 2.216 629 H GLN 87 H GLN 87 4.174 -11.172 6.052 630 HA GLN 87 HA GLN 87 2.566 -8.798 6.027 631 HB2 GLN 87 HB2 GLN 87 3.288 -9.720 8.155 632 HB3 GLN 87 HB3 GLN 87 4.975 -9.510 7.708 633 HG2 GLN 87 HG2 GLN 87 4.865 -7.187 7.894 634 HG3 GLN 87 HG3 GLN 87 3.106 -7.170 7.844 635 HE21 GLN 87 HE21 GLN 87 1.951 -7.746 9.692 636 HE22 GLN 87 HE22 GLN 87 2.680 -7.748 11.260 637 H ALA 88 H ALA 88 5.762 -9.659 4.934 638 HA ALA 88 HA ALA 88 6.863 -7.086 4.689 639 HB1 ALA 88 HB1 ALA 88 7.463 -9.513 3.001 640 HB2 ALA 88 HB2 ALA 88 8.181 -9.162 4.572 641 HB3 ALA 88 HB3 ALA 88 8.490 -8.093 3.204 642 H GLU 89 H GLU 89 5.139 -9.086 2.310 643 HA GLU 89 HA GLU 89 5.272 -7.221 0.196 644 HB2 GLU 89 HB2 GLU 89 3.348 -8.584 -0.744 645 HB3 GLU 89 HB3 GLU 89 4.800 -9.489 -0.356 646 HG2 GLU 89 HG2 GLU 89 3.770 -10.207 1.747 647 HG3 GLU 89 HG3 GLU 89 2.300 -9.340 1.298 648 H MET 90 H MET 90 3.165 -7.507 2.929 649 HA MET 90 HA MET 90 1.093 -5.845 1.872 650 HB2 MET 90 HB2 MET 90 0.577 -7.496 3.578 651 HB3 MET 90 HB3 MET 90 1.689 -6.730 4.698 652 HG2 MET 90 HG2 MET 90 -0.595 -5.165 3.599 653 HG3 MET 90 HG3 MET 90 -0.873 -6.332 4.889 654 HE1 MET 90 HE1 MET 90 1.475 -4.968 7.716 655 HE2 MET 90 HE2 MET 90 1.928 -6.124 6.463 656 HE3 MET 90 HE3 MET 90 0.348 -6.239 7.240 657 H ILE 91 H ILE 91 3.767 -5.315 4.178 658 HA ILE 91 HA ILE 91 3.032 -2.624 4.692 659 HB ILE 91 HB ILE 91 5.421 -2.462 5.608 660 HG12 ILE 91 HG12 ILE 91 5.257 -5.445 5.159 661 HG13 ILE 91 HG13 ILE 91 6.359 -4.350 4.341 662 HG21 ILE 91 HG21 ILE 91 3.474 -2.724 7.007 663 HG22 ILE 91 HG22 ILE 91 4.797 -3.716 7.624 664 HG23 ILE 91 HG23 ILE 91 3.476 -4.464 6.725 665 HD11 ILE 91 HD11 ILE 91 6.332 -4.910 7.299 666 HD12 ILE 91 HD12 ILE 91 7.469 -3.865 6.443 667 HD13 ILE 91 HD13 ILE 91 7.455 -5.600 6.125 668 H ILE 92 H ILE 92 5.254 -4.092 2.358 669 HA ILE 92 HA ILE 92 6.322 -1.592 1.502 670 HB ILE 92 HB ILE 92 7.180 -2.801 -0.453 671 HG12 ILE 92 HG12 ILE 92 6.829 -5.450 -0.091 672 HG13 ILE 92 HG13 ILE 92 5.258 -4.856 0.435 673 HG21 ILE 92 HG21 ILE 92 7.588 -4.251 2.146 674 HG22 ILE 92 HG22 ILE 92 8.454 -2.814 1.603 675 HG23 ILE 92 HG23 ILE 92 8.654 -4.342 0.745 676 HD11 ILE 92 HD11 ILE 92 6.543 -4.311 -2.229 677 HD12 ILE 92 HD12 ILE 92 4.965 -3.727 -1.702 678 HD13 ILE 92 HD13 ILE 92 5.239 -5.456 -1.917 679 H PHE 93 H PHE 93 3.511 -3.477 0.685 680 HA PHE 93 HA PHE 93 2.723 -2.102 -1.652 681 HD1 PHE 93 HD1 PHE 93 1.169 -3.383 -3.280 682 HD2 PHE 93 HD2 PHE 93 -1.175 -2.727 0.212 683 HE1 PHE 93 HE1 PHE 93 -0.812 -3.005 -4.684 684 HE2 PHE 93 HE2 PHE 93 -3.161 -2.346 -1.191 685 HZ PHE 93 HZ PHE 93 -2.979 -2.483 -3.642 686 HB2 PHE 93 HB2 PHE 93 1.773 -4.267 -0.892 687 HB3 PHE 93 HB3 PHE 93 0.993 -3.437 0.447 688 H GLU 94 H GLU 94 2.031 -1.612 1.768 689 HA GLU 94 HA GLU 94 0.323 0.557 1.663 690 HB2 GLU 94 HB2 GLU 94 2.505 -0.066 3.661 691 HB3 GLU 94 HB3 GLU 94 1.280 1.167 3.904 692 HG2 GLU 94 HG2 GLU 94 0.560 -1.694 3.399 693 HG3 GLU 94 HG3 GLU 94 0.944 -1.098 5.014 694 H LEU 95 H LEU 95 3.867 0.521 1.639 695 HA LEU 95 HA LEU 95 4.136 3.349 1.573 696 HG LEU 95 HG LEU 95 5.620 1.174 3.240 697 HB2 LEU 95 HB2 LEU 95 6.070 1.153 0.853 698 HB3 LEU 95 HB3 LEU 95 6.494 2.852 0.889 699 HD11 LEU 95 HD11 LEU 95 7.886 1.602 4.050 700 HD12 LEU 95 HD12 LEU 95 8.251 2.477 2.563 701 HD13 LEU 95 HD13 LEU 95 7.903 0.749 2.507 702 HD21 LEU 95 HD21 LEU 95 6.376 4.095 3.141 703 HD22 LEU 95 HD22 LEU 95 6.040 3.161 4.598 704 HD23 LEU 95 HD23 LEU 95 4.756 3.458 3.426 705 H SER 96 H SER 96 4.379 0.847 -0.939 706 HA SER 96 HA SER 96 4.951 2.450 -3.116 707 HG SER 96 HG SER 96 5.182 -0.499 -2.204 708 HB2 SER 96 HB2 SER 96 3.182 -0.008 -3.093 709 HB3 SER 96 HB3 SER 96 3.994 0.668 -4.503 710 H LEU 97 H LEU 97 1.796 1.760 -1.657 711 HA LEU 97 HA LEU 97 0.144 2.915 -3.583 712 HG LEU 97 HG LEU 97 -0.115 0.592 -1.435 713 HB2 LEU 97 HB2 LEU 97 -0.208 2.870 -0.586 714 HB3 LEU 97 HB3 LEU 97 -1.470 3.273 -1.731 715 HD11 LEU 97 HD11 LEU 97 -1.681 1.126 0.354 716 HD12 LEU 97 HD12 LEU 97 -2.316 -0.145 -0.690 717 HD13 LEU 97 HD13 LEU 97 -2.926 1.503 -0.838 718 HD21 LEU 97 HD21 LEU 97 -0.658 1.034 -3.771 719 HD22 LEU 97 HD22 LEU 97 -2.305 1.478 -3.320 720 HD23 LEU 97 HD23 LEU 97 -1.747 -0.180 -3.096 721 H ARG 98 H ARG 98 1.646 4.427 -0.743 722 HA ARG 98 HA ARG 98 0.375 6.956 -1.265 723 HE ARG 98 HE ARG 98 -1.975 5.773 2.292 724 HB2 ARG 98 HB2 ARG 98 2.327 5.968 0.781 725 HB3 ARG 98 HB3 ARG 98 2.022 7.691 0.609 726 HG2 ARG 98 HG2 ARG 98 0.660 6.818 2.367 727 HG3 ARG 98 HG3 ARG 98 -0.377 7.267 1.016 728 HD2 ARG 98 HD2 ARG 98 -0.530 4.938 0.339 729 HD3 ARG 98 HD3 ARG 98 0.571 4.473 1.635 730 HH11 ARG 98 HH11 ARG 98 0.120 2.985 2.397 731 HH12 ARG 98 HH12 ARG 98 -0.836 2.135 3.584 732 HH21 ARG 98 HH21 ARG 98 -3.251 4.666 3.856 733 HH22 ARG 98 HH22 ARG 98 -2.748 3.100 4.411 734 H SER 99 H SER 99 3.462 5.504 -1.919 735 HA SER 99 HA SER 99 4.732 8.019 -2.544 736 HG SER 99 HG SER 99 5.479 5.272 -0.908 737 HB2 SER 99 HB2 SER 99 5.749 5.218 -3.066 738 HB3 SER 99 HB3 SER 99 6.700 6.703 -3.002 739 H LEU 100 H LEU 100 2.503 6.251 -4.147 740 HA LEU 100 HA LEU 100 3.657 6.872 -6.785 741 HG LEU 100 HG LEU 100 1.567 5.614 -8.525 742 HB2 LEU 100 HB2 LEU 100 3.220 4.466 -6.274 743 HB3 LEU 100 HB3 LEU 100 1.519 4.848 -6.146 744 HD11 LEU 100 HD11 LEU 100 4.330 4.415 -8.469 745 HD12 LEU 100 HD12 LEU 100 3.933 6.115 -8.714 746 HD13 LEU 100 HD13 LEU 100 3.459 4.917 -9.919 747 HD21 LEU 100 HD21 LEU 100 1.575 3.373 -9.472 748 HD22 LEU 100 HD22 LEU 100 0.787 3.376 -7.892 749 HD23 LEU 100 HD23 LEU 100 2.433 2.764 -8.058 750 H ALA 101 H ALA 101 0.495 6.520 -5.171 751 HA ALA 101 HA ALA 101 -0.667 8.298 -7.187 752 HB1 ALA 101 HB1 ALA 101 -1.719 6.105 -6.794 753 HB2 ALA 101 HB2 ALA 101 -2.813 7.447 -6.460 754 HB3 ALA 101 HB3 ALA 101 -2.048 6.580 -5.128 755 H LEU 102 H LEU 102 0.996 9.222 -4.895 756 HA LEU 102 HA LEU 102 -0.542 10.331 -2.863 757 HG LEU 102 HG LEU 102 2.325 10.589 -5.080 758 HB2 LEU 102 HB2 LEU 102 1.327 12.026 -2.665 759 HB3 LEU 102 HB3 LEU 102 1.755 10.337 -2.509 760 HD11 LEU 102 HD11 LEU 102 2.639 13.396 -4.033 761 HD12 LEU 102 HD12 LEU 102 1.559 12.870 -5.325 762 HD13 LEU 102 HD13 LEU 102 3.306 12.791 -5.549 763 HD21 LEU 102 HD21 LEU 102 4.086 11.620 -2.866 764 HD22 LEU 102 HD22 LEU 102 4.631 11.057 -4.446 765 HD23 LEU 102 HD23 LEU 102 3.875 9.930 -3.319 766 H GLU 103 H GLU 103 0.189 11.656 -6.050 767 HA GLU 103 HA GLU 103 -0.701 13.355 -7.252 768 HB2 GLU 103 HB2 GLU 103 -2.827 12.065 -5.950 769 HB3 GLU 103 HB3 GLU 103 -3.132 13.779 -5.737 770 HG2 GLU 103 HG2 GLU 103 -2.493 12.646 -8.431 771 HG3 GLU 103 HG3 GLU 103 -4.129 12.593 -7.776 772 H HIS 104 H HIS 104 -1.997 15.603 -6.849 773 HA HIS 104 HA HIS 104 -2.138 17.653 -5.868 774 HD1 HIS 104 HD1 HIS 104 -2.354 14.282 -3.254 775 HD2 HIS 104 HD2 HIS 104 -4.567 17.790 -3.643 776 HE1 HIS 104 HE1 HIS 104 -4.732 13.650 -2.727 777 HE2 HIS 104 HE2 HIS 104 -6.071 15.754 -3.086 778 HB2 HIS 104 HB2 HIS 104 -0.917 16.399 -3.395 779 HB3 HIS 104 HB3 HIS 104 -1.740 17.951 -3.484 780 H HIS 105 H HIS 105 0.791 16.330 -4.376 781 HA HIS 105 HA HIS 105 2.697 17.519 -6.000 782 HD1 HIS 105 HD1 HIS 105 4.846 19.550 -3.195 783 HD2 HIS 105 HD2 HIS 105 3.446 20.497 -7.001 784 HE1 HIS 105 HE1 HIS 105 6.718 20.789 -4.322 785 HE2 HIS 105 HE2 HIS 105 5.768 21.539 -6.529 786 HB2 HIS 105 HB2 HIS 105 1.604 19.640 -5.044 787 HB3 HIS 105 HB3 HIS 105 2.310 19.178 -3.501 788 H HIS 106 H HIS 106 1.615 16.257 -3.005 789 HA HIS 106 HA HIS 106 3.902 14.638 -2.615 790 HD1 HIS 106 HD1 HIS 106 4.188 16.596 1.621 791 HD2 HIS 106 HD2 HIS 106 2.081 18.342 -1.509 792 HE1 HIS 106 HE1 HIS 106 2.684 18.305 2.688 793 HE2 HIS 106 HE2 HIS 106 1.539 19.461 0.762 794 HB2 HIS 106 HB2 HIS 106 4.748 15.556 -0.535 795 HB3 HIS 106 HB3 HIS 106 4.810 16.810 -1.769 796 H HIS 107 H HIS 107 3.681 13.514 -0.347 797 HA HIS 107 HA HIS 107 0.800 13.258 0.214 798 HD1 HIS 107 HD1 HIS 107 2.520 9.589 2.327 799 HD2 HIS 107 HD2 HIS 107 4.727 11.437 -0.688 800 HE1 HIS 107 HE1 HIS 107 4.876 8.755 2.588 801 HE2 HIS 107 HE2 HIS 107 6.147 9.737 0.650 802 HB2 HIS 107 HB2 HIS 107 1.093 10.937 0.794 803 HB3 HIS 107 HB3 HIS 107 1.757 11.202 -0.807 804 H HIS 108 H HIS 108 0.107 13.505 2.239 805 HA HIS 108 HA HIS 108 1.985 14.491 4.209 806 HD1 HIS 108 HD1 HIS 108 0.219 17.343 5.291 807 HD2 HIS 108 HD2 HIS 108 -0.126 13.755 7.373 808 HE1 HIS 108 HE1 HIS 108 0.367 17.951 7.730 809 HE2 HIS 108 HE2 HIS 108 0.028 15.780 8.973 810 HB2 HIS 108 HB2 HIS 108 -0.345 15.444 3.802 811 HB3 HIS 108 HB3 HIS 108 -0.979 13.993 4.568 812 H HIS 109 H HIS 109 -0.182 11.765 3.745 813 HA HIS 109 HA HIS 109 1.581 10.195 5.464 814 HD1 HIS 109 HD1 HIS 109 -2.329 11.931 6.671 815 HD2 HIS 109 HD2 HIS 109 -2.485 8.575 4.215 816 HE1 HIS 109 HE1 HIS 109 -4.645 11.907 5.691 817 HE2 HIS 109 HE2 HIS 109 -4.765 9.788 4.326 818 HB2 HIS 109 HB2 HIS 109 -0.409 8.864 6.261 819 HB3 HIS 109 HB3 HIS 109 -0.300 10.491 6.907 Start of MODEL 15 1 HA MET 1 HA MET 1 47.395 -34.823 9.199 2 H1 MET 1 H1 MET 1 49.523 -35.624 8.491 3 H2 MET 1 H2 MET 1 49.111 -36.332 9.975 4 H3 MET 1 H3 MET 1 50.253 -35.077 9.923 5 HB2 MET 1 HB2 MET 1 47.660 -35.149 11.598 6 HB3 MET 1 HB3 MET 1 48.924 -33.930 11.655 7 HG2 MET 1 HG2 MET 1 46.821 -33.072 12.514 8 HG3 MET 1 HG3 MET 1 47.319 -32.208 11.062 9 HE1 MET 1 HE1 MET 1 44.877 -31.196 10.900 10 HE2 MET 1 HE2 MET 1 44.341 -32.111 12.309 11 HE3 MET 1 HE3 MET 1 43.409 -32.169 10.814 12 H ALA 2 H ALA 2 47.340 -33.436 7.554 13 HA ALA 2 HA ALA 2 48.616 -30.844 7.900 14 HB1 ALA 2 HB1 ALA 2 49.132 -32.531 5.450 15 HB2 ALA 2 HB2 ALA 2 50.310 -32.141 6.704 16 HB3 ALA 2 HB3 ALA 2 49.646 -30.861 5.688 17 H MET 3 H MET 3 46.878 -29.585 7.779 18 HA MET 3 HA MET 3 44.867 -30.175 5.730 19 HB2 MET 3 HB2 MET 3 43.352 -28.716 6.981 20 HB3 MET 3 HB3 MET 3 43.979 -30.000 7.998 21 HG2 MET 3 HG2 MET 3 45.080 -27.205 7.976 22 HG3 MET 3 HG3 MET 3 43.821 -27.753 9.077 23 HE1 MET 3 HE1 MET 3 46.551 -26.408 10.013 24 HE2 MET 3 HE2 MET 3 46.981 -27.435 11.379 25 HE3 MET 3 HE3 MET 3 45.302 -26.951 11.137 26 H LYS 4 H LYS 4 44.579 -28.899 4.037 27 HA LYS 4 HA LYS 4 46.131 -26.398 3.937 28 HB2 LYS 4 HB2 LYS 4 45.150 -28.130 1.656 29 HB3 LYS 4 HB3 LYS 4 46.050 -26.630 1.481 30 HG2 LYS 4 HG2 LYS 4 47.932 -27.666 2.710 31 HG3 LYS 4 HG3 LYS 4 47.030 -29.181 2.738 32 HD2 LYS 4 HD2 LYS 4 47.005 -29.217 0.295 33 HD3 LYS 4 HD3 LYS 4 47.893 -27.693 0.260 34 HE2 LYS 4 HE2 LYS 4 48.868 -30.313 1.390 35 HE3 LYS 4 HE3 LYS 4 49.402 -29.558 -0.110 36 HZ1 LYS 4 HZ1 LYS 4 49.823 -28.552 2.652 37 HZ2 LYS 4 HZ2 LYS 4 50.182 -27.656 1.264 38 HZ3 LYS 4 HZ3 LYS 4 51.006 -29.108 1.573 39 H ASP 5 H ASP 5 44.757 -24.903 4.657 40 HA ASP 5 HA ASP 5 42.069 -24.791 3.451 41 HB2 ASP 5 HB2 ASP 5 41.230 -23.841 5.494 42 HB3 ASP 5 HB3 ASP 5 42.128 -25.295 5.917 43 H VAL 6 H VAL 6 41.182 -22.672 3.129 44 HA VAL 6 HA VAL 6 42.794 -20.342 3.465 45 HB VAL 6 HB VAL 6 43.903 -21.086 1.480 46 HG11 VAL 6 HG11 VAL 6 42.722 -21.529 -0.634 47 HG12 VAL 6 HG12 VAL 6 41.181 -21.358 0.211 48 HG13 VAL 6 HG13 VAL 6 42.279 -22.671 0.635 49 HG21 VAL 6 HG21 VAL 6 43.418 -19.244 -0.071 50 HG22 VAL 6 HG22 VAL 6 43.471 -18.703 1.607 51 HG23 VAL 6 HG23 VAL 6 41.918 -18.921 0.800 52 H VAL 7 H VAL 7 41.349 -18.954 4.169 53 HA VAL 7 HA VAL 7 38.603 -19.152 3.134 54 HB VAL 7 HB VAL 7 39.521 -17.832 5.692 55 HG11 VAL 7 HG11 VAL 7 37.453 -16.891 4.798 56 HG12 VAL 7 HG12 VAL 7 37.145 -17.813 6.269 57 HG13 VAL 7 HG13 VAL 7 36.753 -18.508 4.697 58 HG21 VAL 7 HG21 VAL 7 38.214 -20.520 5.277 59 HG22 VAL 7 HG22 VAL 7 38.560 -19.771 6.836 60 HG23 VAL 7 HG23 VAL 7 39.885 -20.243 5.772 61 H ASP 8 H ASP 8 38.749 -17.866 1.323 62 HA ASP 8 HA ASP 8 39.050 -14.989 1.898 63 HB2 ASP 8 HB2 ASP 8 40.911 -15.746 0.453 64 HB3 ASP 8 HB3 ASP 8 39.747 -16.382 -0.705 65 H LYS 9 H LYS 9 36.981 -14.362 2.071 66 HA LYS 9 HA LYS 9 35.333 -14.412 -0.272 67 HB2 LYS 9 HB2 LYS 9 34.873 -16.654 0.729 68 HB3 LYS 9 HB3 LYS 9 34.316 -15.847 2.188 69 HG2 LYS 9 HG2 LYS 9 32.531 -14.775 0.941 70 HG3 LYS 9 HG3 LYS 9 33.105 -15.526 -0.548 71 HD2 LYS 9 HD2 LYS 9 32.693 -17.745 0.448 72 HD3 LYS 9 HD3 LYS 9 32.045 -16.956 1.888 73 HE2 LYS 9 HE2 LYS 9 30.286 -15.928 0.546 74 HE3 LYS 9 HE3 LYS 9 30.948 -16.671 -0.910 75 HZ1 LYS 9 HZ1 LYS 9 29.107 -17.963 -0.143 76 HZ2 LYS 9 HZ2 LYS 9 29.757 -18.079 1.421 77 HZ3 LYS 9 HZ3 LYS 9 30.523 -18.861 0.124 78 H CYS 10 H CYS 10 33.902 -12.754 -0.266 79 HA CYS 10 HA CYS 10 33.060 -11.503 2.189 80 HG CYS 10 HG CYS 10 34.223 -8.779 3.370 81 HB2 CYS 10 HB2 CYS 10 35.338 -10.543 1.792 82 HB3 CYS 10 HB3 CYS 10 34.765 -9.917 0.251 83 H SER 11 H SER 11 31.483 -9.795 1.778 84 HA SER 11 HA SER 11 30.526 -9.471 -0.936 85 HG SER 11 HG SER 11 28.356 -9.630 -1.372 86 HB2 SER 11 HB2 SER 11 29.440 -11.574 -0.038 87 HB3 SER 11 HB3 SER 11 28.673 -10.571 1.194 88 H THR 12 H THR 12 29.333 -7.554 -1.169 89 HA THR 12 HA THR 12 28.408 -6.139 1.144 90 HB THR 12 HB THR 12 30.678 -5.533 1.439 91 HG1 THR 12 HG1 THR 12 28.817 -3.752 1.016 92 HG21 THR 12 HG21 THR 12 31.574 -6.101 -0.744 93 HG22 THR 12 HG22 THR 12 32.038 -4.456 -0.308 94 HG23 THR 12 HG23 THR 12 30.740 -4.727 -1.471 95 H LYS 13 H LYS 13 26.489 -6.246 0.029 96 HA LYS 13 HA LYS 13 26.071 -3.919 -1.627 97 HB2 LYS 13 HB2 LYS 13 25.754 -6.674 -2.701 98 HB3 LYS 13 HB3 LYS 13 24.494 -5.511 -3.094 99 HG2 LYS 13 HG2 LYS 13 26.364 -3.978 -3.869 100 HG3 LYS 13 HG3 LYS 13 27.414 -5.392 -3.768 101 HD2 LYS 13 HD2 LYS 13 26.088 -6.566 -5.391 102 HD3 LYS 13 HD3 LYS 13 24.871 -5.287 -5.382 103 HE2 LYS 13 HE2 LYS 13 26.546 -3.718 -6.272 104 HE3 LYS 13 HE3 LYS 13 27.730 -5.023 -6.317 105 HZ1 LYS 13 HZ1 LYS 13 25.188 -4.921 -7.850 106 HZ2 LYS 13 HZ2 LYS 13 26.301 -6.200 -7.882 107 HZ3 LYS 13 HZ3 LYS 13 26.743 -4.680 -8.483 108 H GLY 14 H GLY 14 24.262 -2.928 -1.061 109 HA2 GLY 14 HA2 GLY 14 21.884 -4.177 -0.224 110 HA3 GLY 14 HA3 GLY 14 22.835 -3.768 1.198 111 H CYS 15 H CYS 15 22.227 -2.119 -1.900 112 HA CYS 15 HA CYS 15 21.739 0.359 -0.470 113 HG CYS 15 HG CYS 15 21.436 0.225 -5.062 114 HB2 CYS 15 HB2 CYS 15 21.594 1.336 -2.757 115 HB3 CYS 15 HB3 CYS 15 23.106 0.488 -2.458 116 H ALA 16 H ALA 16 19.862 -1.689 0.014 117 HA ALA 16 HA ALA 16 17.537 -1.530 -1.558 118 HB1 ALA 16 HB1 ALA 16 16.405 -2.606 0.285 119 HB2 ALA 16 HB2 ALA 16 17.723 -2.191 1.381 120 HB3 ALA 16 HB3 ALA 16 17.997 -3.334 0.065 121 H ILE 17 H ILE 17 15.797 -0.222 -1.510 122 HA ILE 17 HA ILE 17 16.067 2.183 0.144 123 HB ILE 17 HB ILE 17 14.465 3.198 -1.564 124 HG12 ILE 17 HG12 ILE 17 14.793 2.107 -3.877 125 HG13 ILE 17 HG13 ILE 17 15.225 0.652 -2.991 126 HG21 ILE 17 HG21 ILE 17 17.250 2.393 -2.377 127 HG22 ILE 17 HG22 ILE 17 16.789 3.808 -1.429 128 HG23 ILE 17 HG23 ILE 17 16.306 3.685 -3.119 129 HD11 ILE 17 HD11 ILE 17 12.597 2.108 -2.825 130 HD12 ILE 17 HD12 ILE 17 13.027 0.649 -1.933 131 HD13 ILE 17 HD13 ILE 17 12.908 0.605 -3.691 132 H ASP 18 H ASP 18 14.137 3.233 0.879 133 HA ASP 18 HA ASP 18 11.673 1.715 1.012 134 HB2 ASP 18 HB2 ASP 18 12.729 0.710 2.902 135 HB3 ASP 18 HB3 ASP 18 13.378 2.251 3.451 136 H ILE 19 H ILE 19 9.901 3.023 1.450 137 HA ILE 19 HA ILE 19 10.312 5.831 0.992 138 HB ILE 19 HB ILE 19 7.751 4.373 1.678 139 HG12 ILE 19 HG12 ILE 19 8.685 3.460 -0.364 140 HG13 ILE 19 HG13 ILE 19 7.308 4.477 -0.765 141 HG21 ILE 19 HG21 ILE 19 8.195 7.100 0.468 142 HG22 ILE 19 HG22 ILE 19 7.582 6.761 2.087 143 HG23 ILE 19 HG23 ILE 19 6.632 6.311 0.671 144 HD11 ILE 19 HD11 ILE 19 10.202 5.263 -1.008 145 HD12 ILE 19 HD12 ILE 19 8.815 6.274 -1.416 146 HD13 ILE 19 HD13 ILE 19 9.130 4.801 -2.332 147 H GLY 20 H GLY 20 9.736 3.751 3.716 148 HA2 GLY 20 HA2 GLY 20 10.349 4.349 5.919 149 HA3 GLY 20 HA3 GLY 20 10.175 6.045 5.485 150 H THR 21 H THR 21 8.163 3.108 5.672 151 HA THR 21 HA THR 21 6.378 4.488 7.485 152 HB THR 21 HB THR 21 5.290 3.318 4.934 153 HG1 THR 21 HG1 THR 21 6.277 5.762 5.479 154 HG21 THR 21 HG21 THR 21 3.914 4.797 7.177 155 HG22 THR 21 HG22 THR 21 3.774 3.073 6.839 156 HG23 THR 21 HG23 THR 21 3.151 4.250 5.684 157 H VAL 22 H VAL 22 7.188 2.962 8.886 158 HA VAL 22 HA VAL 22 5.709 0.435 8.796 159 HB VAL 22 HB VAL 22 8.557 0.598 9.816 160 HG11 VAL 22 HG11 VAL 22 7.156 -1.051 10.945 161 HG12 VAL 22 HG12 VAL 22 8.398 -1.831 9.967 162 HG13 VAL 22 HG13 VAL 22 6.733 -1.766 9.390 163 HG21 VAL 22 HG21 VAL 22 8.565 0.799 7.386 164 HG22 VAL 22 HG22 VAL 22 7.556 -0.641 7.251 165 HG23 VAL 22 HG23 VAL 22 9.196 -0.771 7.886 166 H ILE 23 H ILE 23 4.229 1.046 10.292 167 HA ILE 23 HA ILE 23 4.820 2.861 12.383 168 HB ILE 23 HB ILE 23 2.399 1.082 12.056 169 HG12 ILE 23 HG12 ILE 23 1.381 3.369 11.369 170 HG13 ILE 23 HG13 ILE 23 3.047 3.861 11.092 171 HG21 ILE 23 HG21 ILE 23 2.847 3.489 13.811 172 HG22 ILE 23 HG22 ILE 23 2.617 1.821 14.341 173 HG23 ILE 23 HG23 ILE 23 1.296 2.690 13.559 174 HD11 ILE 23 HD11 ILE 23 3.300 2.073 9.455 175 HD12 ILE 23 HD12 ILE 23 1.967 3.149 9.035 176 HD13 ILE 23 HD13 ILE 23 1.637 1.568 9.746 177 H ASP 24 H ASP 24 3.562 -0.445 12.708 178 HA ASP 24 HA ASP 24 5.627 -1.254 14.527 179 HB2 ASP 24 HB2 ASP 24 4.159 0.189 15.989 180 HB3 ASP 24 HB3 ASP 24 2.841 -0.934 15.679 181 H ASN 25 H ASN 25 2.308 -2.246 14.872 182 HA ASN 25 HA ASN 25 2.706 -4.362 12.889 183 HB2 ASN 25 HB2 ASN 25 1.584 -5.991 14.233 184 HB3 ASN 25 HB3 ASN 25 2.826 -5.273 15.242 185 HD21 ASN 25 HD21 ASN 25 -0.543 -5.733 14.736 186 HD22 ASN 25 HD22 ASN 25 -1.079 -5.039 16.226 187 H ASP 26 H ASP 26 1.252 -4.217 11.319 188 HA ASP 26 HA ASP 26 -1.170 -2.637 11.843 189 HB2 ASP 26 HB2 ASP 26 0.762 -2.257 9.540 190 HB3 ASP 26 HB3 ASP 26 -0.782 -1.425 9.711 191 H ASN 27 H ASN 27 -0.801 -5.487 11.561 192 HA ASN 27 HA ASN 27 -1.949 -7.232 10.700 193 HB2 ASN 27 HB2 ASN 27 -3.424 -5.142 9.075 194 HB3 ASN 27 HB3 ASN 27 -3.882 -6.838 9.202 195 HD21 ASN 27 HD21 ASN 27 -3.800 -3.765 10.785 196 HD22 ASN 27 HD22 ASN 27 -4.788 -4.201 12.137 197 H CYS 28 H CYS 28 -2.451 -8.340 8.537 198 HA CYS 28 HA CYS 28 -0.277 -7.723 6.649 199 HG CYS 28 HG CYS 28 -2.868 -10.350 8.356 200 HB2 CYS 28 HB2 CYS 28 -0.527 -10.065 5.874 201 HB3 CYS 28 HB3 CYS 28 -0.126 -9.967 7.584 202 H THR 29 H THR 29 -3.526 -7.362 7.090 203 HA THR 29 HA THR 29 -4.271 -7.646 4.291 204 HB THR 29 HB THR 29 -5.996 -6.639 6.560 205 HG1 THR 29 HG1 THR 29 -5.977 -9.309 5.604 206 HG21 THR 29 HG21 THR 29 -6.681 -7.914 3.908 207 HG22 THR 29 HG22 THR 29 -6.856 -6.205 4.306 208 HG23 THR 29 HG23 THR 29 -7.840 -7.410 5.138 209 H SER 30 H SER 30 -3.936 -6.001 2.938 210 HA SER 30 HA SER 30 -3.665 -3.297 4.045 211 HG SER 30 HG SER 30 -1.605 -2.158 2.202 212 HB2 SER 30 HB2 SER 30 -1.841 -4.199 2.582 213 HB3 SER 30 HB3 SER 30 -2.998 -4.273 1.253 214 H LYS 31 H LYS 31 -5.381 -2.041 3.983 215 HA LYS 31 HA LYS 31 -7.461 -2.607 1.989 216 HB2 LYS 31 HB2 LYS 31 -9.017 -1.389 3.460 217 HB3 LYS 31 HB3 LYS 31 -8.283 -2.760 4.276 218 HG2 LYS 31 HG2 LYS 31 -7.155 -0.004 4.576 219 HG3 LYS 31 HG3 LYS 31 -8.519 -0.551 5.551 220 HD2 LYS 31 HD2 LYS 31 -7.214 -2.405 6.380 221 HD3 LYS 31 HD3 LYS 31 -5.857 -1.942 5.360 222 HE2 LYS 31 HE2 LYS 31 -7.028 -0.211 7.534 223 HE3 LYS 31 HE3 LYS 31 -5.608 -1.237 7.731 224 HZ1 LYS 31 HZ1 LYS 31 -4.908 0.985 7.269 225 HZ2 LYS 31 HZ2 LYS 31 -5.887 1.076 5.883 226 HZ3 LYS 31 HZ3 LYS 31 -4.554 0.031 5.909 227 H PHE 32 H PHE 32 -8.636 -0.743 1.174 228 HA PHE 32 HA PHE 32 -7.218 1.777 1.080 229 HD1 PHE 32 HD1 PHE 32 -5.302 2.919 -0.574 230 HD2 PHE 32 HD2 PHE 32 -8.410 1.380 -3.036 231 HE1 PHE 32 HE1 PHE 32 -5.133 4.901 -2.022 232 HE2 PHE 32 HE2 PHE 32 -8.249 3.356 -4.490 233 HZ PHE 32 HZ PHE 32 -6.607 5.120 -3.984 234 HB2 PHE 32 HB2 PHE 32 -5.962 0.490 -0.576 235 HB3 PHE 32 HB3 PHE 32 -7.455 0.023 -1.380 236 H SER 33 H SER 33 -8.799 3.223 1.230 237 HA SER 33 HA SER 33 -11.128 2.897 -0.516 238 HG SER 33 HG SER 33 -11.422 2.904 3.425 239 HB2 SER 33 HB2 SER 33 -12.460 4.009 1.415 240 HB3 SER 33 HB3 SER 33 -12.115 2.284 1.510 241 H ARG 34 H ARG 34 -10.877 4.448 -1.932 242 HA ARG 34 HA ARG 34 -10.377 7.170 -0.947 243 HE ARG 34 HE ARG 34 -8.627 9.511 -5.396 244 HB2 ARG 34 HB2 ARG 34 -8.342 6.442 -2.024 245 HB3 ARG 34 HB3 ARG 34 -9.236 5.862 -3.422 246 HG2 ARG 34 HG2 ARG 34 -9.884 8.168 -3.952 247 HG3 ARG 34 HG3 ARG 34 -8.962 8.737 -2.560 248 HD2 ARG 34 HD2 ARG 34 -6.908 8.071 -3.530 249 HD3 ARG 34 HD3 ARG 34 -7.723 7.126 -4.775 250 HH11 ARG 34 HH11 ARG 34 -5.393 8.688 -4.330 251 HH12 ARG 34 HH12 ARG 34 -4.628 9.880 -5.336 252 HH21 ARG 34 HH21 ARG 34 -7.629 11.082 -6.727 253 HH22 ARG 34 HH22 ARG 34 -5.902 11.255 -6.683 254 H PHE 35 H PHE 35 -11.575 8.779 -1.876 255 HA PHE 35 HA PHE 35 -13.853 7.940 -3.459 256 HD1 PHE 35 HD1 PHE 35 -16.352 8.937 -2.163 257 HD2 PHE 35 HD2 PHE 35 -12.771 9.877 -0.060 258 HE1 PHE 35 HE1 PHE 35 -17.409 8.249 -0.051 259 HE2 PHE 35 HE2 PHE 35 -13.821 9.190 2.051 260 HZ PHE 35 HZ PHE 35 -16.143 8.373 2.061 261 HB2 PHE 35 HB2 PHE 35 -13.122 10.644 -2.314 262 HB3 PHE 35 HB3 PHE 35 -14.613 10.291 -3.180 263 H PHE 36 H PHE 36 -14.132 8.334 -5.552 264 HA PHE 36 HA PHE 36 -12.005 9.823 -6.950 265 HD1 PHE 36 HD1 PHE 36 -10.082 8.371 -8.580 266 HD2 PHE 36 HD2 PHE 36 -12.609 5.882 -6.233 267 HE1 PHE 36 HE1 PHE 36 -8.127 7.056 -7.874 268 HE2 PHE 36 HE2 PHE 36 -10.657 4.563 -5.523 269 HZ PHE 36 HZ PHE 36 -8.414 5.149 -6.345 270 HB2 PHE 36 HB2 PHE 36 -13.536 7.374 -7.847 271 HB3 PHE 36 HB3 PHE 36 -12.506 8.329 -8.908 272 H ALA 37 H ALA 37 -12.698 10.787 -9.020 273 HA ALA 37 HA ALA 37 -14.905 12.469 -8.656 274 HB1 ALA 37 HB1 ALA 37 -13.477 11.825 -11.237 275 HB2 ALA 37 HB2 ALA 37 -12.975 13.042 -10.063 276 HB3 ALA 37 HB3 ALA 37 -14.499 13.230 -10.932 277 H THR 38 H THR 38 -14.537 9.539 -10.640 278 HA THR 38 HA THR 38 -17.451 9.246 -10.585 279 HB THR 38 HB THR 38 -16.143 8.565 -13.173 280 HG1 THR 38 HG1 THR 38 -16.077 10.639 -13.885 281 HG21 THR 38 HG21 THR 38 -18.818 9.763 -12.436 282 HG22 THR 38 HG22 THR 38 -18.499 8.063 -12.786 283 HG23 THR 38 HG23 THR 38 -18.322 9.273 -14.056 284 H ARG 39 H ARG 39 -18.062 6.975 -11.348 285 HA ARG 39 HA ARG 39 -16.611 5.089 -9.856 286 HE ARG 39 HE ARG 39 -18.728 0.529 -12.077 287 HB2 ARG 39 HB2 ARG 39 -18.953 4.755 -10.243 288 HB3 ARG 39 HB3 ARG 39 -18.725 4.745 -11.981 289 HG2 ARG 39 HG2 ARG 39 -17.510 2.656 -11.839 290 HG3 ARG 39 HG3 ARG 39 -17.660 2.668 -10.082 291 HD2 ARG 39 HD2 ARG 39 -20.033 2.417 -10.219 292 HD3 ARG 39 HD3 ARG 39 -20.011 2.658 -11.966 293 HH11 ARG 39 HH11 ARG 39 -20.789 1.206 -9.311 294 HH12 ARG 39 HH12 ARG 39 -21.084 -0.476 -8.964 295 HH21 ARG 39 HH21 ARG 39 -19.136 -1.675 -11.634 296 HH22 ARG 39 HH22 ARG 39 -20.150 -2.116 -10.294 297 H GLU 40 H GLU 40 -16.461 6.021 -13.212 298 HA GLU 40 HA GLU 40 -14.914 4.027 -14.337 299 HB2 GLU 40 HB2 GLU 40 -14.648 7.017 -14.679 300 HB3 GLU 40 HB3 GLU 40 -13.963 5.816 -15.757 301 HG2 GLU 40 HG2 GLU 40 -16.162 5.067 -16.387 302 HG3 GLU 40 HG3 GLU 40 -16.899 6.160 -15.215 303 H GLU 41 H GLU 41 -13.853 6.894 -12.582 304 HA GLU 41 HA GLU 41 -11.104 6.493 -12.653 305 HB2 GLU 41 HB2 GLU 41 -12.690 7.762 -10.412 306 HB3 GLU 41 HB3 GLU 41 -11.009 8.060 -10.797 307 HG2 GLU 41 HG2 GLU 41 -13.392 8.809 -12.463 308 HG3 GLU 41 HG3 GLU 41 -12.348 9.895 -11.549 309 H ALA 42 H ALA 42 -13.569 5.112 -10.618 310 HA ALA 42 HA ALA 42 -11.763 4.121 -8.613 311 HB1 ALA 42 HB1 ALA 42 -14.640 3.388 -9.131 312 HB2 ALA 42 HB2 ALA 42 -14.083 4.682 -8.073 313 HB3 ALA 42 HB3 ALA 42 -13.712 3.004 -7.680 314 H GLU 43 H GLU 43 -13.714 2.596 -11.172 315 HA GLU 43 HA GLU 43 -12.770 -0.019 -10.732 316 HB2 GLU 43 HB2 GLU 43 -13.898 1.232 -13.244 317 HB3 GLU 43 HB3 GLU 43 -13.670 -0.494 -12.995 318 HG2 GLU 43 HG2 GLU 43 -15.215 -0.373 -11.064 319 HG3 GLU 43 HG3 GLU 43 -15.505 1.321 -11.454 320 H SER 44 H SER 44 -11.594 2.599 -12.761 321 HA SER 44 HA SER 44 -9.656 1.090 -14.163 322 HG SER 44 HG SER 44 -7.864 3.895 -14.848 323 HB2 SER 44 HB2 SER 44 -10.518 3.413 -14.753 324 HB3 SER 44 HB3 SER 44 -9.457 4.031 -13.489 325 H PHE 45 H PHE 45 -9.697 2.606 -11.006 326 HA PHE 45 HA PHE 45 -6.851 2.508 -10.651 327 HD1 PHE 45 HD2 PHE 45 -6.502 5.145 -9.992 328 HD2 PHE 45 HD1 PHE 45 -7.088 2.560 -6.665 329 HE1 PHE 45 HE2 PHE 45 -4.528 6.122 -8.893 330 HE2 PHE 45 HE1 PHE 45 -5.117 3.530 -5.559 331 HZ PHE 45 HZ PHE 45 -3.833 5.315 -6.672 332 HB2 PHE 45 HB2 PHE 45 -8.713 4.011 -9.493 333 HB3 PHE 45 HB3 PHE 45 -8.723 2.689 -8.330 334 H MET 46 H MET 46 -9.580 0.439 -9.980 335 HA MET 46 HA MET 46 -8.342 -1.354 -8.197 336 HB2 MET 46 HB2 MET 46 -10.741 -1.378 -8.493 337 HB3 MET 46 HB3 MET 46 -10.569 -1.785 -10.194 338 HG2 MET 46 HG2 MET 46 -11.255 -3.680 -8.757 339 HG3 MET 46 HG3 MET 46 -9.772 -3.972 -9.662 340 HE1 MET 46 HE1 MET 46 -9.724 -2.792 -5.199 341 HE2 MET 46 HE2 MET 46 -11.212 -2.889 -6.138 342 HE3 MET 46 HE3 MET 46 -10.009 -1.659 -6.521 343 H THR 47 H THR 47 -8.380 -1.159 -11.697 344 HA THR 47 HA THR 47 -7.256 -3.646 -12.302 345 HB THR 47 HB THR 47 -6.841 -1.060 -13.809 346 HG1 THR 47 HG1 THR 47 -8.908 -1.188 -14.256 347 HG21 THR 47 HG21 THR 47 -5.423 -2.894 -14.591 348 HG22 THR 47 HG22 THR 47 -6.680 -2.535 -15.776 349 HG23 THR 47 HG23 THR 47 -6.832 -3.944 -14.726 350 H LYS 48 H LYS 48 -5.666 -0.497 -11.785 351 HA LYS 48 HA LYS 48 -3.055 -1.561 -12.116 352 HB2 LYS 48 HB2 LYS 48 -2.273 0.617 -11.264 353 HB3 LYS 48 HB3 LYS 48 -3.416 0.748 -12.590 354 HG2 LYS 48 HG2 LYS 48 -5.196 1.155 -10.880 355 HG3 LYS 48 HG3 LYS 48 -3.907 1.270 -9.683 356 HD2 LYS 48 HD2 LYS 48 -4.322 3.004 -12.109 357 HD3 LYS 48 HD3 LYS 48 -4.436 3.474 -10.418 358 HE2 LYS 48 HE2 LYS 48 -2.091 3.215 -10.098 359 HE3 LYS 48 HE3 LYS 48 -1.907 2.447 -11.675 360 HZ1 LYS 48 HZ1 LYS 48 -1.177 4.665 -11.895 361 HZ2 LYS 48 HZ2 LYS 48 -2.537 5.291 -11.107 362 HZ3 LYS 48 HZ3 LYS 48 -2.695 4.603 -12.648 363 H LEU 49 H LEU 49 -5.187 -1.193 -9.401 364 HA LEU 49 HA LEU 49 -3.347 -1.670 -7.325 365 HG LEU 49 HG LEU 49 -6.494 -0.451 -5.887 366 HB2 LEU 49 HB2 LEU 49 -6.280 -1.901 -7.676 367 HB3 LEU 49 HB3 LEU 49 -5.584 -2.839 -6.372 368 HD11 LEU 49 HD11 LEU 49 -3.768 -1.311 -4.935 369 HD12 LEU 49 HD12 LEU 49 -5.313 -1.841 -4.270 370 HD13 LEU 49 HD13 LEU 49 -4.825 -0.151 -4.133 371 HD21 LEU 49 HD21 LEU 49 -3.755 0.185 -6.984 372 HD22 LEU 49 HD22 LEU 49 -4.786 1.300 -6.089 373 HD23 LEU 49 HD23 LEU 49 -5.297 0.703 -7.667 374 H LYS 50 H LYS 50 -5.136 -3.885 -9.460 375 HA LYS 50 HA LYS 50 -4.277 -6.286 -8.282 376 HB2 LYS 50 HB2 LYS 50 -4.967 -5.638 -11.151 377 HB3 LYS 50 HB3 LYS 50 -4.814 -7.262 -10.495 378 HG2 LYS 50 HG2 LYS 50 -6.747 -7.094 -9.254 379 HG3 LYS 50 HG3 LYS 50 -6.706 -5.327 -9.244 380 HD2 LYS 50 HD2 LYS 50 -7.515 -5.159 -11.389 381 HD3 LYS 50 HD3 LYS 50 -6.979 -6.774 -11.819 382 HE2 LYS 50 HE2 LYS 50 -8.721 -7.667 -10.250 383 HE3 LYS 50 HE3 LYS 50 -9.309 -6.015 -10.072 384 HZ1 LYS 50 HZ1 LYS 50 -9.265 -7.656 -12.544 385 HZ2 LYS 50 HZ2 LYS 50 -9.609 -5.995 -12.535 386 HZ3 LYS 50 HZ3 LYS 50 -10.627 -7.075 -11.711 387 H GLU 51 H GLU 51 -2.850 -4.253 -10.814 388 HA GLU 51 HA GLU 51 -0.623 -5.810 -11.462 389 HB2 GLU 51 HB2 GLU 51 -0.760 -2.792 -11.255 390 HB3 GLU 51 HB3 GLU 51 0.456 -3.701 -12.135 391 HG2 GLU 51 HG2 GLU 51 -1.305 -4.543 -13.639 392 HG3 GLU 51 HG3 GLU 51 -2.478 -3.546 -12.778 393 H LEU 52 H LEU 52 -0.990 -3.263 -9.034 394 HA LEU 52 HA LEU 52 1.600 -3.411 -7.964 395 HG LEU 52 HG LEU 52 -0.213 -1.137 -8.713 396 HB2 LEU 52 HB2 LEU 52 -0.992 -2.454 -6.761 397 HB3 LEU 52 HB3 LEU 52 0.572 -2.221 -6.011 398 HD11 LEU 52 HD11 LEU 52 -1.472 -0.056 -6.938 399 HD12 LEU 52 HD12 LEU 52 -0.260 1.040 -7.601 400 HD13 LEU 52 HD13 LEU 52 0.019 0.251 -6.048 401 HD21 LEU 52 HD21 LEU 52 2.182 -1.574 -8.485 402 HD22 LEU 52 HD22 LEU 52 2.216 -0.622 -7.000 403 HD23 LEU 52 HD23 LEU 52 1.843 0.157 -8.538 404 H ALA 53 H ALA 53 -1.428 -4.961 -6.950 405 HA ALA 53 HA ALA 53 -0.474 -6.149 -4.601 406 HB1 ALA 53 HB1 ALA 53 -2.853 -5.990 -5.198 407 HB2 ALA 53 HB2 ALA 53 -2.385 -7.629 -4.743 408 HB3 ALA 53 HB3 ALA 53 -2.609 -7.215 -6.443 409 H ALA 54 H ALA 54 -0.382 -7.271 -7.945 410 HA ALA 54 HA ALA 54 0.487 -9.903 -7.394 411 HB1 ALA 54 HB1 ALA 54 0.998 -10.046 -9.757 412 HB2 ALA 54 HB2 ALA 54 0.904 -8.291 -9.907 413 HB3 ALA 54 HB3 ALA 54 -0.544 -9.221 -9.524 414 H ALA 55 H ALA 55 2.203 -6.872 -7.876 415 HA ALA 55 HA ALA 55 4.771 -8.193 -8.076 416 HB1 ALA 55 HB1 ALA 55 5.691 -5.976 -8.367 417 HB2 ALA 55 HB2 ALA 55 4.154 -5.247 -7.905 418 HB3 ALA 55 HB3 ALA 55 4.274 -6.177 -9.399 419 H ALA 56 H ALA 56 2.856 -6.647 -5.617 420 HA ALA 56 HA ALA 56 5.086 -6.215 -3.838 421 HB1 ALA 56 HB1 ALA 56 2.134 -5.993 -3.279 422 HB2 ALA 56 HB2 ALA 56 3.157 -4.691 -3.885 423 HB3 ALA 56 HB3 ALA 56 3.444 -5.365 -2.280 424 H SER 57 H SER 57 2.801 -8.752 -4.419 425 HA SER 57 HA SER 57 3.142 -9.865 -1.761 426 HG SER 57 HG SER 57 1.057 -9.913 -4.786 427 HB2 SER 57 HB2 SER 57 1.502 -11.583 -2.566 428 HB3 SER 57 HB3 SER 57 0.900 -9.925 -2.619 429 H SER 58 H SER 58 4.405 -11.479 -1.241 430 HA SER 58 HA SER 58 6.136 -12.696 -3.200 431 HG SER 58 HG SER 58 6.284 -11.135 -0.501 432 HB2 SER 58 HB2 SER 58 5.851 -13.349 -0.261 433 HB3 SER 58 HB3 SER 58 7.228 -13.702 -1.304 434 H ALA 59 H ALA 59 3.054 -13.224 -2.601 435 HA ALA 59 HA ALA 59 3.042 -16.094 -2.274 436 HB1 ALA 59 HB1 ALA 59 0.612 -15.895 -2.401 437 HB2 ALA 59 HB2 ALA 59 0.769 -14.193 -2.841 438 HB3 ALA 59 HB3 ALA 59 1.283 -14.744 -1.246 439 H ASP 60 H ASP 60 3.761 -14.157 -4.767 440 HA ASP 60 HA ASP 60 4.247 -14.607 -6.933 441 HB2 ASP 60 HB2 ASP 60 4.723 -16.912 -6.243 442 HB3 ASP 60 HB3 ASP 60 3.021 -17.324 -6.424 443 H GLU 61 H GLU 61 1.114 -16.229 -6.348 444 HA GLU 61 HA GLU 61 0.060 -15.361 -8.852 445 HB2 GLU 61 HB2 GLU 61 -1.430 -16.437 -6.454 446 HB3 GLU 61 HB3 GLU 61 -2.043 -16.337 -8.099 447 HG2 GLU 61 HG2 GLU 61 -0.172 -17.863 -8.776 448 HG3 GLU 61 HG3 GLU 61 0.162 -18.090 -7.060 449 H GLY 62 H GLY 62 -0.072 -14.147 -5.575 450 HA2 GLY 62 HA2 GLY 62 -0.388 -11.572 -5.839 451 HA3 GLY 62 HA3 GLY 62 -1.986 -12.079 -6.372 452 H ALA 63 H ALA 63 -3.360 -11.591 -4.785 453 HA ALA 63 HA ALA 63 -2.943 -12.745 -2.159 454 HB1 ALA 63 HB1 ALA 63 -3.282 -10.642 -0.968 455 HB2 ALA 63 HB2 ALA 63 -3.335 -9.770 -2.500 456 HB3 ALA 63 HB3 ALA 63 -1.841 -10.553 -1.983 457 H SER 64 H SER 64 -4.938 -12.347 -0.773 458 HA SER 64 HA SER 64 -7.277 -12.943 -2.293 459 HG SER 64 HG SER 64 -7.137 -14.831 -0.316 460 HB2 SER 64 HB2 SER 64 -7.091 -12.174 0.629 461 HB3 SER 64 HB3 SER 64 -8.397 -13.063 -0.153 462 H VAL 65 H VAL 65 -8.306 -11.433 -3.442 463 HA VAL 65 HA VAL 65 -8.298 -8.683 -2.429 464 HB VAL 65 HB VAL 65 -7.301 -8.786 -4.599 465 HG11 VAL 65 HG11 VAL 65 -8.173 -10.894 -5.401 466 HG12 VAL 65 HG12 VAL 65 -8.515 -9.625 -6.577 467 HG13 VAL 65 HG13 VAL 65 -9.796 -10.210 -5.515 468 HG21 VAL 65 HG21 VAL 65 -8.743 -6.860 -4.167 469 HG22 VAL 65 HG22 VAL 65 -10.113 -7.726 -4.862 470 HG23 VAL 65 HG23 VAL 65 -8.740 -7.289 -5.878 471 H ALA 66 H ALA 66 -10.039 -8.047 -1.463 472 HA ALA 66 HA ALA 66 -12.651 -8.713 -2.657 473 HB1 ALA 66 HB1 ALA 66 -13.658 -8.504 -0.427 474 HB2 ALA 66 HB2 ALA 66 -12.058 -8.245 0.271 475 HB3 ALA 66 HB3 ALA 66 -12.457 -9.796 -0.467 476 H TYR 67 H TYR 67 -13.857 -6.923 -3.224 477 HA TYR 67 HA TYR 67 -13.031 -4.336 -2.189 478 HD1 TYR 67 HD2 TYR 67 -11.890 -6.910 -5.198 479 HD2 TYR 67 HD1 TYR 67 -14.135 -3.449 -6.246 480 HE1 TYR 67 HE2 TYR 67 -12.538 -7.977 -7.317 481 HE2 TYR 67 HE1 TYR 67 -14.787 -4.508 -8.366 482 HH TYR 67 HH TYR 67 -14.385 -7.801 -8.982 483 HB2 TYR 67 HB2 TYR 67 -12.643 -3.379 -4.402 484 HB3 TYR 67 HB3 TYR 67 -11.524 -4.696 -4.081 485 H LYS 68 H LYS 68 -14.439 -2.652 -2.603 486 HA LYS 68 HA LYS 68 -17.063 -3.361 -3.737 487 HB2 LYS 68 HB2 LYS 68 -16.400 -1.661 -1.331 488 HB3 LYS 68 HB3 LYS 68 -17.968 -1.623 -2.125 489 HG2 LYS 68 HG2 LYS 68 -18.406 -3.872 -1.555 490 HG3 LYS 68 HG3 LYS 68 -16.744 -4.125 -1.032 491 HD2 LYS 68 HD2 LYS 68 -18.661 -2.193 0.267 492 HD3 LYS 68 HD3 LYS 68 -18.369 -3.835 0.842 493 HE2 LYS 68 HE2 LYS 68 -16.035 -3.317 1.236 494 HE3 LYS 68 HE3 LYS 68 -16.255 -1.706 0.555 495 HZ1 LYS 68 HZ1 LYS 68 -17.769 -2.647 2.919 496 HZ2 LYS 68 HZ2 LYS 68 -17.576 -1.054 2.363 497 HZ3 LYS 68 HZ3 LYS 68 -16.262 -1.878 3.050 498 H ILE 69 H ILE 69 -17.957 -1.918 -5.064 499 HA ILE 69 HA ILE 69 -16.533 0.615 -5.571 500 HB ILE 69 HB ILE 69 -18.189 -0.919 -7.589 501 HG12 ILE 69 HG12 ILE 69 -15.173 -0.727 -7.420 502 HG13 ILE 69 HG13 ILE 69 -16.105 -2.142 -6.946 503 HG21 ILE 69 HG21 ILE 69 -18.095 1.478 -7.971 504 HG22 ILE 69 HG22 ILE 69 -17.153 0.626 -9.195 505 HG23 ILE 69 HG23 ILE 69 -16.335 1.443 -7.863 506 HD11 ILE 69 HD11 ILE 69 -15.137 -2.420 -9.153 507 HD12 ILE 69 HD12 ILE 69 -15.966 -0.966 -9.713 508 HD13 ILE 69 HD13 ILE 69 -16.897 -2.386 -9.238 509 H LYS 70 H LYS 70 -17.733 2.168 -4.586 510 HA LYS 70 HA LYS 70 -20.637 1.690 -4.511 511 HB2 LYS 70 HB2 LYS 70 -19.484 1.358 -2.378 512 HB3 LYS 70 HB3 LYS 70 -18.905 3.009 -2.442 513 HG2 LYS 70 HG2 LYS 70 -21.043 3.887 -2.066 514 HG3 LYS 70 HG3 LYS 70 -21.826 2.343 -2.432 515 HD2 LYS 70 HD2 LYS 70 -21.110 1.373 -0.422 516 HD3 LYS 70 HD3 LYS 70 -19.873 2.605 -0.166 517 HE2 LYS 70 HE2 LYS 70 -22.847 3.076 -0.054 518 HE3 LYS 70 HE3 LYS 70 -21.800 2.852 1.348 519 HZ1 LYS 70 HZ1 LYS 70 -22.129 5.174 0.997 520 HZ2 LYS 70 HZ2 LYS 70 -21.679 5.057 -0.629 521 HZ3 LYS 70 HZ3 LYS 70 -20.521 4.810 0.585 522 H ASP 71 H ASP 71 -21.635 2.959 -5.734 523 HA ASP 71 HA ASP 71 -20.557 5.392 -6.784 524 HB2 ASP 71 HB2 ASP 71 -23.251 4.055 -7.102 525 HB3 ASP 71 HB3 ASP 71 -22.771 5.506 -7.964 526 H LEU 72 H LEU 72 -20.881 7.398 -6.082 527 HA LEU 72 HA LEU 72 -23.214 7.957 -4.371 528 HG LEU 72 HG LEU 72 -20.409 7.095 -3.211 529 HB2 LEU 72 HB2 LEU 72 -20.516 9.323 -4.290 530 HB3 LEU 72 HB3 LEU 72 -21.898 9.717 -3.287 531 HD11 LEU 72 HD11 LEU 72 -19.031 8.935 -2.392 532 HD12 LEU 72 HD12 LEU 72 -19.537 7.883 -1.069 533 HD13 LEU 72 HD13 LEU 72 -20.335 9.435 -1.313 534 HD21 LEU 72 HD21 LEU 72 -22.563 8.212 -1.421 535 HD22 LEU 72 HD22 LEU 72 -21.691 6.701 -1.165 536 HD23 LEU 72 HD23 LEU 72 -22.748 6.881 -2.565 537 H GLU 73 H GLU 73 -23.154 10.704 -4.422 538 HA GLU 73 HA GLU 73 -23.783 11.181 -7.244 539 HB2 GLU 73 HB2 GLU 73 -25.496 11.691 -5.490 540 HB3 GLU 73 HB3 GLU 73 -24.420 12.936 -4.868 541 HG2 GLU 73 HG2 GLU 73 -24.476 13.938 -7.196 542 HG3 GLU 73 HG3 GLU 73 -25.817 12.842 -7.520 543 H GLY 74 H GLY 74 -21.958 11.721 -8.280 544 HA2 GLY 74 HA2 GLY 74 -20.585 13.470 -9.079 545 HA3 GLY 74 HA3 GLY 74 -20.749 14.285 -7.531 546 H GLN 75 H GLN 75 -20.178 11.174 -6.824 547 HA GLN 75 HA GLN 75 -17.367 10.979 -7.291 548 HB2 GLN 75 HB2 GLN 75 -16.679 11.002 -4.930 549 HB3 GLN 75 HB3 GLN 75 -17.306 12.565 -5.426 550 HG2 GLN 75 HG2 GLN 75 -19.431 12.065 -4.330 551 HG3 GLN 75 HG3 GLN 75 -18.817 10.481 -3.864 552 HE21 GLN 75 HE21 GLN 75 -19.785 12.648 -2.183 553 HE22 GLN 75 HE22 GLN 75 -18.485 13.041 -1.116 554 H VAL 76 H VAL 76 -16.510 9.017 -6.112 555 HA VAL 76 HA VAL 76 -18.570 7.117 -5.258 556 HB VAL 76 HB VAL 76 -17.612 5.301 -6.621 557 HG11 VAL 76 HG11 VAL 76 -18.580 5.935 -8.777 558 HG12 VAL 76 HG12 VAL 76 -18.623 7.620 -8.255 559 HG13 VAL 76 HG13 VAL 76 -19.608 6.413 -7.427 560 HG21 VAL 76 HG21 VAL 76 -16.073 7.485 -8.004 561 HG22 VAL 76 HG22 VAL 76 -16.149 5.794 -8.501 562 HG23 VAL 76 HG23 VAL 76 -15.396 6.230 -6.966 563 H GLU 77 H GLU 77 -17.707 5.410 -3.946 564 HA GLU 77 HA GLU 77 -14.944 5.940 -3.119 565 HB2 GLU 77 HB2 GLU 77 -15.410 4.983 -0.973 566 HB3 GLU 77 HB3 GLU 77 -16.656 6.170 -1.324 567 HG2 GLU 77 HG2 GLU 77 -18.164 4.368 -1.983 568 HG3 GLU 77 HG3 GLU 77 -16.923 3.187 -1.593 569 H LEU 78 H LEU 78 -13.455 4.552 -3.538 570 HA LEU 78 HA LEU 78 -14.215 1.848 -4.384 571 HG LEU 78 HG LEU 78 -11.309 1.679 -6.681 572 HB2 LEU 78 HB2 LEU 78 -12.781 3.322 -5.878 573 HB3 LEU 78 HB3 LEU 78 -11.522 3.190 -4.670 574 HD11 LEU 78 HD11 LEU 78 -10.057 1.264 -4.633 575 HD12 LEU 78 HD12 LEU 78 -10.547 -0.246 -5.400 576 HD13 LEU 78 HD13 LEU 78 -11.415 0.345 -3.983 577 HD21 LEU 78 HD21 LEU 78 -12.630 -0.379 -6.685 578 HD22 LEU 78 HD22 LEU 78 -13.643 1.048 -6.907 579 HD23 LEU 78 HD23 LEU 78 -13.589 0.240 -5.340 580 H ASP 79 H ASP 79 -14.147 0.406 -2.823 581 HA ASP 79 HA ASP 79 -12.270 0.845 -0.585 582 HB2 ASP 79 HB2 ASP 79 -14.650 1.246 0.032 583 HB3 ASP 79 HB3 ASP 79 -15.025 -0.406 -0.442 584 H ALA 80 H ALA 80 -10.696 -0.611 -0.770 585 HA ALA 80 HA ALA 80 -11.463 -3.362 -1.490 586 HB1 ALA 80 HB1 ALA 80 -10.284 -2.281 -3.335 587 HB2 ALA 80 HB2 ALA 80 -9.341 -3.606 -2.653 588 HB3 ALA 80 HB3 ALA 80 -8.925 -1.937 -2.265 589 H ALA 81 H ALA 81 -10.226 -5.038 -0.595 590 HA ALA 81 HA ALA 81 -8.322 -4.344 1.522 591 HB1 ALA 81 HB1 ALA 81 -10.440 -4.704 2.664 592 HB2 ALA 81 HB2 ALA 81 -9.324 -6.024 3.016 593 HB3 ALA 81 HB3 ALA 81 -10.633 -6.260 1.859 594 H PHE 82 H PHE 82 -6.498 -5.293 0.936 595 HA PHE 82 HA PHE 82 -6.605 -7.851 -0.520 596 HD1 PHE 82 HD1 PHE 82 -5.838 -3.998 -1.050 597 HD2 PHE 82 HD2 PHE 82 -5.248 -7.519 -3.363 598 HE1 PHE 82 HE1 PHE 82 -6.722 -2.839 -3.030 599 HE2 PHE 82 HE2 PHE 82 -6.134 -6.367 -5.347 600 HZ PHE 82 HZ PHE 82 -6.873 -4.024 -5.184 601 HB2 PHE 82 HB2 PHE 82 -4.363 -5.822 -0.300 602 HB3 PHE 82 HB3 PHE 82 -4.280 -7.327 -1.208 603 H THR 83 H THR 83 -6.352 -9.558 0.767 604 HA THR 83 HA THR 83 -4.846 -9.309 3.236 605 HB THR 83 HB THR 83 -6.103 -11.837 2.174 606 HG1 THR 83 HG1 THR 83 -8.037 -11.139 2.821 607 HG21 THR 83 HG21 THR 83 -5.550 -10.822 4.968 608 HG22 THR 83 HG22 THR 83 -4.614 -12.048 4.114 609 HG23 THR 83 HG23 THR 83 -6.288 -12.372 4.563 610 H PHE 84 H PHE 84 -2.692 -9.382 3.010 611 HA PHE 84 HA PHE 84 -1.487 -11.106 0.992 612 HD1 PHE 84 HD2 PHE 84 0.204 -9.666 -0.739 613 HD2 PHE 84 HD1 PHE 84 -1.470 -7.135 2.244 614 HE1 PHE 84 HE2 PHE 84 -0.233 -7.950 -2.446 615 HE2 PHE 84 HE1 PHE 84 -1.906 -5.415 0.541 616 HZ PHE 84 HZ PHE 84 -1.288 -5.820 -1.805 617 HB2 PHE 84 HB2 PHE 84 -0.272 -9.064 2.866 618 HB3 PHE 84 HB3 PHE 84 0.639 -9.999 1.687 619 H SER 85 H SER 85 0.458 -12.383 1.653 620 HA SER 85 HA SER 85 -0.246 -14.083 3.852 621 HG SER 85 HG SER 85 -0.018 -15.875 1.807 622 HB2 SER 85 HB2 SER 85 2.180 -14.158 2.043 623 HB3 SER 85 HB3 SER 85 1.638 -15.454 3.110 624 H CYS 86 H CYS 86 2.028 -11.513 3.290 625 HA CYS 86 HA CYS 86 3.117 -11.924 5.993 626 HG CYS 86 HG CYS 86 6.378 -13.229 4.175 627 HB2 CYS 86 HB2 CYS 86 4.624 -10.813 3.612 628 HB3 CYS 86 HB3 CYS 86 5.272 -11.098 5.224 629 H GLN 87 H GLN 87 4.014 -9.870 6.932 630 HA GLN 87 HA GLN 87 2.021 -7.810 6.629 631 HB2 GLN 87 HB2 GLN 87 2.727 -8.381 8.854 632 HB3 GLN 87 HB3 GLN 87 4.409 -8.067 8.453 633 HG2 GLN 87 HG2 GLN 87 4.122 -5.771 8.467 634 HG3 GLN 87 HG3 GLN 87 2.379 -5.883 8.242 635 HE21 GLN 87 HE21 GLN 87 1.070 -6.368 9.988 636 HE22 GLN 87 HE22 GLN 87 1.632 -6.262 11.624 637 H ALA 88 H ALA 88 5.391 -8.260 5.807 638 HA ALA 88 HA ALA 88 6.137 -5.655 5.202 639 HB1 ALA 88 HB1 ALA 88 6.962 -8.177 3.766 640 HB2 ALA 88 HB2 ALA 88 7.704 -7.528 5.229 641 HB3 ALA 88 HB3 ALA 88 7.809 -6.630 3.715 642 H GLU 89 H GLU 89 4.322 -7.975 3.295 643 HA GLU 89 HA GLU 89 4.294 -6.605 0.845 644 HB2 GLU 89 HB2 GLU 89 1.840 -8.077 1.609 645 HB3 GLU 89 HB3 GLU 89 2.817 -8.201 0.155 646 HG2 GLU 89 HG2 GLU 89 3.617 -9.341 2.819 647 HG3 GLU 89 HG3 GLU 89 2.754 -10.246 1.578 648 H MET 90 H MET 90 2.382 -6.271 3.752 649 HA MET 90 HA MET 90 0.273 -4.727 2.621 650 HB2 MET 90 HB2 MET 90 0.214 -6.089 4.771 651 HB3 MET 90 HB3 MET 90 1.127 -4.791 5.521 652 HG2 MET 90 HG2 MET 90 -1.539 -4.382 4.198 653 HG3 MET 90 HG3 MET 90 -1.358 -4.775 5.905 654 HE1 MET 90 HE1 MET 90 0.631 -1.643 7.202 655 HE2 MET 90 HE2 MET 90 1.283 -3.177 6.624 656 HE3 MET 90 HE3 MET 90 -0.142 -3.160 7.663 657 H ILE 91 H ILE 91 3.141 -3.893 4.576 658 HA ILE 91 HA ILE 91 2.620 -1.112 4.571 659 HB ILE 91 HB ILE 91 5.183 -1.028 5.129 660 HG12 ILE 91 HG12 ILE 91 4.536 -3.911 5.755 661 HG13 ILE 91 HG13 ILE 91 5.556 -3.397 4.419 662 HG21 ILE 91 HG21 ILE 91 3.383 -0.524 6.679 663 HG22 ILE 91 HG22 ILE 91 4.636 -1.477 7.475 664 HG23 ILE 91 HG23 ILE 91 3.130 -2.244 6.968 665 HD11 ILE 91 HD11 ILE 91 6.094 -2.959 7.345 666 HD12 ILE 91 HD12 ILE 91 7.110 -2.381 6.023 667 HD13 ILE 91 HD13 ILE 91 6.904 -4.113 6.286 668 H ILE 92 H ILE 92 4.697 -3.149 2.494 669 HA ILE 92 HA ILE 92 5.797 -0.963 1.070 670 HB ILE 92 HB ILE 92 6.464 -2.566 -0.644 671 HG12 ILE 92 HG12 ILE 92 4.901 -4.608 0.942 672 HG13 ILE 92 HG13 ILE 92 4.425 -3.962 -0.625 673 HG21 ILE 92 HG21 ILE 92 6.885 -3.599 2.152 674 HG22 ILE 92 HG22 ILE 92 7.821 -2.332 1.358 675 HG23 ILE 92 HG23 ILE 92 7.879 -3.984 0.746 676 HD11 ILE 92 HD11 ILE 92 6.379 -4.944 -1.655 677 HD12 ILE 92 HD12 ILE 92 5.455 -6.176 -0.795 678 HD13 ILE 92 HD13 ILE 92 6.937 -5.529 -0.089 679 H PHE 93 H PHE 93 2.840 -2.781 0.754 680 HA PHE 93 HA PHE 93 2.032 -1.876 -1.785 681 HD1 PHE 93 HD1 PHE 93 0.814 -3.824 -2.872 682 HD2 PHE 93 HD2 PHE 93 -1.934 -1.812 -0.317 683 HE1 PHE 93 HE1 PHE 93 -0.921 -3.992 -4.607 684 HE2 PHE 93 HE2 PHE 93 -3.668 -1.978 -2.049 685 HZ PHE 93 HZ PHE 93 -3.166 -3.071 -4.199 686 HB2 PHE 93 HB2 PHE 93 1.018 -3.715 -0.280 687 HB3 PHE 93 HB3 PHE 93 0.139 -2.406 0.500 688 H GLU 94 H GLU 94 1.349 -0.653 1.475 689 HA GLU 94 HA GLU 94 -0.066 1.649 0.863 690 HB2 GLU 94 HB2 GLU 94 1.904 1.125 3.095 691 HB3 GLU 94 HB3 GLU 94 0.867 2.542 3.023 692 HG2 GLU 94 HG2 GLU 94 -0.204 -0.260 3.016 693 HG3 GLU 94 HG3 GLU 94 0.095 0.656 4.494 694 H LEU 95 H LEU 95 3.404 1.087 0.919 695 HA LEU 95 HA LEU 95 4.210 3.760 0.518 696 HG LEU 95 HG LEU 95 5.218 1.169 2.127 697 HB2 LEU 95 HB2 LEU 95 5.636 1.221 -0.281 698 HB3 LEU 95 HB3 LEU 95 6.366 2.809 -0.135 699 HD11 LEU 95 HD11 LEU 95 7.538 1.051 2.891 700 HD12 LEU 95 HD12 LEU 95 8.057 1.921 1.447 701 HD13 LEU 95 HD13 LEU 95 7.343 0.316 1.300 702 HD21 LEU 95 HD21 LEU 95 6.069 2.924 3.582 703 HD22 LEU 95 HD22 LEU 95 4.863 3.564 2.464 704 HD23 LEU 95 HD23 LEU 95 6.579 3.857 2.176 705 H SER 96 H SER 96 3.894 1.046 -1.763 706 HA SER 96 HA SER 96 4.596 2.468 -4.052 707 HG SER 96 HG SER 96 2.343 0.220 -2.804 708 HB2 SER 96 HB2 SER 96 3.435 0.630 -5.296 709 HB3 SER 96 HB3 SER 96 4.595 0.074 -4.092 710 H LEU 97 H LEU 97 1.421 2.085 -2.536 711 HA LEU 97 HA LEU 97 -0.135 3.182 -4.593 712 HG LEU 97 HG LEU 97 -0.462 1.065 -2.186 713 HB2 LEU 97 HB2 LEU 97 -0.591 3.435 -1.620 714 HB3 LEU 97 HB3 LEU 97 -1.794 3.689 -2.867 715 HD11 LEU 97 HD11 LEU 97 -2.096 1.815 -0.540 716 HD12 LEU 97 HD12 LEU 97 -2.674 0.408 -1.434 717 HD13 LEU 97 HD13 LEU 97 -3.295 2.015 -1.816 718 HD21 LEU 97 HD21 LEU 97 -0.927 1.215 -4.575 719 HD22 LEU 97 HD22 LEU 97 -2.591 1.694 -4.235 720 HD23 LEU 97 HD23 LEU 97 -2.026 0.083 -3.790 721 H ARG 98 H ARG 98 1.416 4.732 -1.820 722 HA ARG 98 HA ARG 98 0.539 7.363 -2.427 723 HE ARG 98 HE ARG 98 0.348 7.685 3.074 724 HB2 ARG 98 HB2 ARG 98 2.727 6.288 -0.655 725 HB3 ARG 98 HB3 ARG 98 2.371 8.004 -0.787 726 HG2 ARG 98 HG2 ARG 98 0.248 7.745 0.187 727 HG3 ARG 98 HG3 ARG 98 0.288 5.990 -0.010 728 HD2 ARG 98 HD2 ARG 98 2.000 5.779 1.642 729 HD3 ARG 98 HD3 ARG 98 2.211 7.525 1.726 730 HH11 ARG 98 HH11 ARG 98 0.558 4.428 1.781 731 HH12 ARG 98 HH12 ARG 98 -0.564 3.763 2.940 732 HH21 ARG 98 HH21 ARG 98 -1.106 6.801 4.589 733 HH22 ARG 98 HH22 ARG 98 -1.499 5.114 4.528 734 H SER 99 H SER 99 3.327 5.463 -3.316 735 HA SER 99 HA SER 99 4.893 7.692 -4.208 736 HG SER 99 HG SER 99 5.314 5.167 -2.513 737 HB2 SER 99 HB2 SER 99 5.286 4.738 -4.735 738 HB3 SER 99 HB3 SER 99 6.488 6.008 -4.962 739 H LEU 100 H LEU 100 2.743 5.367 -5.731 740 HA LEU 100 HA LEU 100 3.557 6.060 -8.401 741 HG LEU 100 HG LEU 100 1.040 5.150 -9.889 742 HB2 LEU 100 HB2 LEU 100 2.695 3.831 -7.734 743 HB3 LEU 100 HB3 LEU 100 1.117 4.546 -7.492 744 HD11 LEU 100 HD11 LEU 100 3.439 5.323 -10.306 745 HD12 LEU 100 HD12 LEU 100 2.682 4.191 -11.426 746 HD13 LEU 100 HD13 LEU 100 3.616 3.586 -10.058 747 HD21 LEU 100 HD21 LEU 100 0.732 2.869 -10.736 748 HD22 LEU 100 HD22 LEU 100 0.019 3.082 -9.137 749 HD23 LEU 100 HD23 LEU 100 1.557 2.236 -9.311 750 H ALA 101 H ALA 101 0.819 6.795 -6.300 751 HA ALA 101 HA ALA 101 -0.342 8.541 -8.330 752 HB1 ALA 101 HB1 ALA 101 -1.338 7.805 -5.578 753 HB2 ALA 101 HB2 ALA 101 -1.835 7.055 -7.095 754 HB3 ALA 101 HB3 ALA 101 -2.223 8.747 -6.778 755 H LEU 102 H LEU 102 2.197 9.228 -7.214 756 HA LEU 102 HA LEU 102 2.082 11.004 -5.061 757 HG LEU 102 HG LEU 102 3.704 10.400 -8.363 758 HB2 LEU 102 HB2 LEU 102 4.276 11.790 -5.765 759 HB3 LEU 102 HB3 LEU 102 4.167 10.046 -5.822 760 HD11 LEU 102 HD11 LEU 102 3.440 12.820 -8.294 761 HD12 LEU 102 HD12 LEU 102 4.820 12.367 -9.298 762 HD13 LEU 102 HD13 LEU 102 5.079 12.991 -7.668 763 HD21 LEU 102 HD21 LEU 102 5.676 9.296 -7.490 764 HD22 LEU 102 HD22 LEU 102 6.420 10.857 -7.138 765 HD23 LEU 102 HD23 LEU 102 6.121 10.378 -8.810 766 H GLU 103 H GLU 103 0.971 11.507 -8.254 767 HA GLU 103 HA GLU 103 1.478 14.336 -8.347 768 HB2 GLU 103 HB2 GLU 103 -0.107 12.493 -10.120 769 HB3 GLU 103 HB3 GLU 103 0.025 14.222 -10.410 770 HG2 GLU 103 HG2 GLU 103 2.506 13.931 -10.465 771 HG3 GLU 103 HG3 GLU 103 2.236 12.188 -10.417 772 H HIS 104 H HIS 104 -0.007 13.647 -6.044 773 HA HIS 104 HA HIS 104 -2.511 15.079 -6.642 774 HD1 HIS 104 HD1 HIS 104 -3.426 13.491 -2.431 775 HD2 HIS 104 HD2 HIS 104 -0.106 12.143 -4.547 776 HE1 HIS 104 HE1 HIS 104 -1.907 12.439 -0.721 777 HE2 HIS 104 HE2 HIS 104 0.186 11.836 -1.994 778 HB2 HIS 104 HB2 HIS 104 -3.623 13.968 -4.828 779 HB3 HIS 104 HB3 HIS 104 -2.861 12.725 -5.810 780 H HIS 105 H HIS 105 -2.872 16.951 -5.557 781 HA HIS 105 HA HIS 105 -0.597 18.051 -4.170 782 HD1 HIS 105 HD1 HIS 105 -2.665 18.422 -7.399 783 HD2 HIS 105 HD2 HIS 105 -0.065 21.193 -5.693 784 HE1 HIS 105 HE1 HIS 105 -1.331 19.372 -9.306 785 HE2 HIS 105 HE2 HIS 105 0.091 21.178 -8.277 786 HB2 HIS 105 HB2 HIS 105 -3.274 19.242 -4.914 787 HB3 HIS 105 HB3 HIS 105 -2.010 20.136 -4.077 788 H HIS 106 H HIS 106 -0.447 18.668 -2.063 789 HA HIS 106 HA HIS 106 -2.098 17.211 -0.207 790 HD1 HIS 106 HD1 HIS 106 0.164 15.950 2.036 791 HD2 HIS 106 HD2 HIS 106 1.602 17.360 -1.610 792 HE1 HIS 106 HE1 HIS 106 1.835 14.237 1.250 793 HE2 HIS 106 HE2 HIS 106 2.589 15.039 -1.016 794 HB2 HIS 106 HB2 HIS 106 0.197 19.133 0.219 795 HB3 HIS 106 HB3 HIS 106 -0.619 18.280 1.526 796 H HIS 107 H HIS 107 -2.335 20.210 -1.674 797 HA HIS 107 HA HIS 107 -3.881 21.438 0.454 798 HD1 HIS 107 HD1 HIS 107 -1.680 24.441 -2.368 799 HD2 HIS 107 HD2 HIS 107 -2.160 22.623 1.347 800 HE1 HIS 107 HE1 HIS 107 0.128 25.397 -0.898 801 HE2 HIS 107 HE2 HIS 107 -0.095 24.179 1.298 802 HB2 HIS 107 HB2 HIS 107 -3.225 22.310 -2.361 803 HB3 HIS 107 HB3 HIS 107 -4.331 23.205 -1.323 804 H HIS 108 H HIS 108 -4.468 18.936 -1.375 805 HA HIS 108 HA HIS 108 -7.336 19.526 -1.580 806 HD1 HIS 108 HD1 HIS 108 -7.356 16.044 -4.185 807 HD2 HIS 108 HD2 HIS 108 -9.188 19.770 -3.934 808 HE1 HIS 108 HE1 HIS 108 -9.711 15.700 -5.001 809 HE2 HIS 108 HE2 HIS 108 -10.827 17.953 -4.780 810 HB2 HIS 108 HB2 HIS 108 -6.287 19.518 -3.846 811 HB3 HIS 108 HB3 HIS 108 -5.750 17.868 -3.560 812 H HIS 109 H HIS 109 -8.687 17.752 -1.090 813 HA HIS 109 HA HIS 109 -7.675 15.964 0.848 814 HD1 HIS 109 HD1 HIS 109 -8.508 13.440 0.951 815 HD2 HIS 109 HD2 HIS 109 -11.848 15.494 2.343 816 HE1 HIS 109 HE1 HIS 109 -9.457 12.023 2.803 817 HE2 HIS 109 HE2 HIS 109 -11.368 13.373 3.744 818 HB2 HIS 109 HB2 HIS 109 -10.064 16.831 0.647 819 HB3 HIS 109 HB3 HIS 109 -10.286 15.649 -0.638 Start of MODEL 16 1 HA MET 1 HA MET 1 38.138 41.481 7.555 2 H1 MET 1 H1 MET 1 38.438 43.697 9.487 3 H2 MET 1 H2 MET 1 36.979 42.947 9.056 4 H3 MET 1 H3 MET 1 37.857 43.824 7.901 5 HB2 MET 1 HB2 MET 1 40.542 42.983 8.592 6 HB3 MET 1 HB3 MET 1 40.668 41.401 7.836 7 HG2 MET 1 HG2 MET 1 41.158 43.143 6.239 8 HG3 MET 1 HG3 MET 1 39.684 42.287 5.792 9 HE1 MET 1 HE1 MET 1 39.078 44.236 4.081 10 HE2 MET 1 HE2 MET 1 40.560 45.079 4.532 11 HE3 MET 1 HE3 MET 1 39.021 45.940 4.528 12 H ALA 2 H ALA 2 37.727 39.647 8.503 13 HA ALA 2 HA ALA 2 39.050 38.628 10.767 14 HB1 ALA 2 HB1 ALA 2 37.236 38.606 12.402 15 HB2 ALA 2 HB2 ALA 2 36.220 39.545 11.310 16 HB3 ALA 2 HB3 ALA 2 37.676 40.265 11.996 17 H MET 3 H MET 3 35.961 38.658 9.053 18 HA MET 3 HA MET 3 35.617 35.812 9.220 19 HB2 MET 3 HB2 MET 3 34.194 37.773 7.408 20 HB3 MET 3 HB3 MET 3 33.663 36.150 7.816 21 HG2 MET 3 HG2 MET 3 32.333 37.570 9.101 22 HG3 MET 3 HG3 MET 3 33.544 36.948 10.218 23 HE1 MET 3 HE1 MET 3 33.658 41.191 8.393 24 HE2 MET 3 HE2 MET 3 32.360 40.035 8.096 25 HE3 MET 3 HE3 MET 3 33.974 39.732 7.455 26 H LYS 4 H LYS 4 36.735 34.427 8.041 27 HA LYS 4 HA LYS 4 37.163 34.927 5.217 28 HB2 LYS 4 HB2 LYS 4 39.141 35.959 6.297 29 HB3 LYS 4 HB3 LYS 4 39.495 34.429 7.083 30 HG2 LYS 4 HG2 LYS 4 39.983 33.387 4.991 31 HG3 LYS 4 HG3 LYS 4 39.418 34.802 4.100 32 HD2 LYS 4 HD2 LYS 4 41.847 34.772 4.175 33 HD3 LYS 4 HD3 LYS 4 41.222 36.137 5.101 34 HE2 LYS 4 HE2 LYS 4 41.494 34.798 7.170 35 HE3 LYS 4 HE3 LYS 4 42.226 33.513 6.208 36 HZ1 LYS 4 HZ1 LYS 4 43.961 34.813 7.155 37 HZ2 LYS 4 HZ2 LYS 4 43.263 36.262 6.618 38 HZ3 LYS 4 HZ3 LYS 4 43.918 35.175 5.497 39 H ASP 5 H ASP 5 35.982 33.158 4.676 40 HA ASP 5 HA ASP 5 36.968 30.543 5.579 41 HB2 ASP 5 HB2 ASP 5 34.015 31.190 5.504 42 HB3 ASP 5 HB3 ASP 5 34.778 29.737 6.129 43 H VAL 6 H VAL 6 37.338 29.326 3.805 44 HA VAL 6 HA VAL 6 35.677 29.857 1.435 45 HB VAL 6 HB VAL 6 37.440 28.648 0.123 46 HG11 VAL 6 HG11 VAL 6 39.013 30.548 0.127 47 HG12 VAL 6 HG12 VAL 6 38.275 31.131 1.619 48 HG13 VAL 6 HG13 VAL 6 37.328 31.069 0.133 49 HG21 VAL 6 HG21 VAL 6 39.676 28.420 1.120 50 HG22 VAL 6 HG22 VAL 6 38.494 27.394 1.933 51 HG23 VAL 6 HG23 VAL 6 39.020 28.900 2.684 52 H VAL 7 H VAL 7 34.003 28.622 2.491 53 HA VAL 7 HA VAL 7 34.475 25.741 2.597 54 HB VAL 7 HB VAL 7 33.442 26.619 4.592 55 HG11 VAL 7 HG11 VAL 7 32.451 28.643 3.660 56 HG12 VAL 7 HG12 VAL 7 31.264 27.721 4.584 57 HG13 VAL 7 HG13 VAL 7 31.243 27.674 2.820 58 HG21 VAL 7 HG21 VAL 7 32.720 24.405 3.902 59 HG22 VAL 7 HG22 VAL 7 31.431 25.110 2.928 60 HG23 VAL 7 HG23 VAL 7 31.396 25.269 4.684 61 H ASP 8 H ASP 8 33.914 24.503 0.961 62 HA ASP 8 HA ASP 8 31.938 25.506 -0.967 63 HB2 ASP 8 HB2 ASP 8 32.831 23.893 -2.552 64 HB3 ASP 8 HB3 ASP 8 34.143 24.868 -1.901 65 H LYS 9 H LYS 9 30.356 24.019 -1.803 66 HA LYS 9 HA LYS 9 29.741 21.716 -0.181 67 HB2 LYS 9 HB2 LYS 9 27.372 22.762 0.218 68 HB3 LYS 9 HB3 LYS 9 28.692 23.107 1.316 69 HG2 LYS 9 HG2 LYS 9 27.911 25.212 1.036 70 HG3 LYS 9 HG3 LYS 9 29.023 25.161 -0.331 71 HD2 LYS 9 HD2 LYS 9 27.126 24.503 -1.788 72 HD3 LYS 9 HD3 LYS 9 26.041 24.696 -0.405 73 HE2 LYS 9 HE2 LYS 9 26.786 27.056 -0.220 74 HE3 LYS 9 HE3 LYS 9 27.745 26.835 -1.682 75 HZ1 LYS 9 HZ1 LYS 9 25.576 26.153 -2.764 76 HZ2 LYS 9 HZ2 LYS 9 25.754 27.797 -2.386 77 HZ3 LYS 9 HZ3 LYS 9 24.801 26.799 -1.400 78 H CYS 10 H CYS 10 29.046 20.206 -1.488 79 HA CYS 10 HA CYS 10 27.006 20.592 -3.432 80 HG CYS 10 HG CYS 10 30.888 20.220 -3.146 81 HB2 CYS 10 HB2 CYS 10 28.454 20.009 -5.427 82 HB3 CYS 10 HB3 CYS 10 28.660 21.636 -4.786 83 H SER 11 H SER 11 27.634 18.816 -1.239 84 HA SER 11 HA SER 11 28.384 16.278 -2.388 85 HG SER 11 HG SER 11 29.592 16.478 0.859 86 HB2 SER 11 HB2 SER 11 27.261 16.902 0.354 87 HB3 SER 11 HB3 SER 11 27.995 15.379 -0.145 88 H THR 12 H THR 12 26.785 16.017 -4.001 89 HA THR 12 HA THR 12 24.343 14.819 -2.997 90 HB THR 12 HB THR 12 24.228 17.112 -4.969 91 HG1 THR 12 HG1 THR 12 24.170 17.054 -2.275 92 HG21 THR 12 HG21 THR 12 22.575 15.355 -5.432 93 HG22 THR 12 HG22 THR 12 21.800 16.823 -4.840 94 HG23 THR 12 HG23 THR 12 22.014 15.444 -3.760 95 H LYS 13 H LYS 13 24.826 12.867 -3.844 96 HA LYS 13 HA LYS 13 24.314 12.502 -6.628 97 HB2 LYS 13 HB2 LYS 13 26.408 11.420 -7.256 98 HB3 LYS 13 HB3 LYS 13 26.700 13.090 -6.788 99 HG2 LYS 13 HG2 LYS 13 27.576 12.398 -4.662 100 HG3 LYS 13 HG3 LYS 13 27.136 10.719 -4.983 101 HD2 LYS 13 HD2 LYS 13 28.680 10.728 -6.918 102 HD3 LYS 13 HD3 LYS 13 29.167 12.370 -6.488 103 HE2 LYS 13 HE2 LYS 13 30.783 10.781 -5.636 104 HE3 LYS 13 HE3 LYS 13 29.930 11.550 -4.298 105 HZ1 LYS 13 HZ1 LYS 13 30.145 9.192 -3.915 106 HZ2 LYS 13 HZ2 LYS 13 29.393 8.836 -5.389 107 HZ3 LYS 13 HZ3 LYS 13 28.512 9.572 -4.146 108 H GLY 14 H GLY 14 23.371 10.566 -6.918 109 HA2 GLY 14 HA2 GLY 14 23.127 8.244 -6.609 110 HA3 GLY 14 HA3 GLY 14 24.045 8.366 -5.118 111 H CYS 15 H CYS 15 21.046 7.880 -6.394 112 HA CYS 15 HA CYS 15 19.874 8.079 -3.737 113 HG CYS 15 HG CYS 15 17.467 9.317 -2.913 114 HB2 CYS 15 HB2 CYS 15 19.297 10.216 -4.868 115 HB3 CYS 15 HB3 CYS 15 18.544 9.306 -6.172 116 H ALA 16 H ALA 16 20.229 5.778 -3.994 117 HA ALA 16 HA ALA 16 18.040 4.512 -5.495 118 HB1 ALA 16 HB1 ALA 16 19.525 2.703 -6.206 119 HB2 ALA 16 HB2 ALA 16 20.896 3.530 -5.465 120 HB3 ALA 16 HB3 ALA 16 20.065 4.258 -6.840 121 H ILE 17 H ILE 17 16.856 4.089 -3.700 122 HA ILE 17 HA ILE 17 17.993 2.148 -1.813 123 HB ILE 17 HB ILE 17 16.717 3.213 0.034 124 HG12 ILE 17 HG12 ILE 17 16.371 5.519 -1.899 125 HG13 ILE 17 HG13 ILE 17 15.088 4.405 -1.433 126 HG21 ILE 17 HG21 ILE 17 19.101 3.652 -0.209 127 HG22 ILE 17 HG22 ILE 17 18.262 5.071 0.418 128 HG23 ILE 17 HG23 ILE 17 18.754 5.013 -1.275 129 HD11 ILE 17 HD11 ILE 17 14.936 6.496 -0.212 130 HD12 ILE 17 HD12 ILE 17 16.569 6.267 0.412 131 HD13 ILE 17 HD13 ILE 17 15.280 5.156 0.881 132 H ASP 18 H ASP 18 16.241 0.988 -0.601 133 HA ASP 18 HA ASP 18 13.901 0.593 -2.295 134 HB2 ASP 18 HB2 ASP 18 13.607 -1.521 -1.176 135 HB3 ASP 18 HB3 ASP 18 15.284 -1.405 -1.682 136 H ILE 19 H ILE 19 11.841 0.516 -1.332 137 HA ILE 19 HA ILE 19 11.559 2.416 0.823 138 HB ILE 19 HB ILE 19 9.083 2.177 0.307 139 HG12 ILE 19 HG12 ILE 19 10.196 0.681 -2.079 140 HG13 ILE 19 HG13 ILE 19 9.143 0.015 -0.838 141 HG21 ILE 19 HG21 ILE 19 9.247 3.626 -1.655 142 HG22 ILE 19 HG22 ILE 19 10.930 3.144 -1.867 143 HG23 ILE 19 HG23 ILE 19 10.448 4.052 -0.435 144 HD11 ILE 19 HD11 ILE 19 8.449 2.124 -2.864 145 HD12 ILE 19 HD12 ILE 19 7.389 1.600 -1.555 146 HD13 ILE 19 HD13 ILE 19 7.871 0.459 -2.811 147 H GLY 20 H GLY 20 12.180 1.321 2.606 148 HA2 GLY 20 HA2 GLY 20 10.453 -0.938 3.404 149 HA3 GLY 20 HA3 GLY 20 12.137 -0.785 3.889 150 H THR 21 H THR 21 9.767 1.808 3.794 151 HA THR 21 HA THR 21 10.275 2.499 6.523 152 HB THR 21 HB THR 21 7.971 3.495 4.874 153 HG1 THR 21 HG1 THR 21 10.669 3.817 4.424 154 HG21 THR 21 HG21 THR 21 8.006 4.143 7.234 155 HG22 THR 21 HG22 THR 21 8.286 5.539 6.194 156 HG23 THR 21 HG23 THR 21 9.638 4.785 7.038 157 H VAL 22 H VAL 22 9.704 0.765 7.762 158 HA VAL 22 HA VAL 22 7.100 -0.461 7.529 159 HB VAL 22 HB VAL 22 7.834 -1.935 9.342 160 HG11 VAL 22 HG11 VAL 22 9.707 -3.017 8.182 161 HG12 VAL 22 HG12 VAL 22 9.924 -1.570 7.197 162 HG13 VAL 22 HG13 VAL 22 8.443 -2.518 7.059 163 HG21 VAL 22 HG21 VAL 22 10.323 -0.232 9.375 164 HG22 VAL 22 HG22 VAL 22 10.114 -1.753 10.246 165 HG23 VAL 22 HG23 VAL 22 9.119 -0.356 10.657 166 H ILE 23 H ILE 23 5.865 -0.854 9.626 167 HA ILE 23 HA ILE 23 5.801 1.654 11.176 168 HB ILE 23 HB ILE 23 3.459 -0.188 10.645 169 HG12 ILE 23 HG12 ILE 23 4.170 0.942 8.576 170 HG13 ILE 23 HG13 ILE 23 2.620 1.556 9.137 171 HG21 ILE 23 HG21 ILE 23 3.565 2.571 11.857 172 HG22 ILE 23 HG22 ILE 23 3.337 1.067 12.747 173 HG23 ILE 23 HG23 ILE 23 2.115 1.603 11.594 174 HD11 ILE 23 HD11 ILE 23 4.067 3.338 8.321 175 HD12 ILE 23 HD12 ILE 23 5.280 2.905 9.527 176 HD13 ILE 23 HD13 ILE 23 3.711 3.528 10.039 177 H ASP 24 H ASP 24 4.091 -1.374 11.778 178 HA ASP 24 HA ASP 24 5.884 -2.087 13.946 179 HB2 ASP 24 HB2 ASP 24 3.025 -1.251 14.402 180 HB3 ASP 24 HB3 ASP 24 3.856 -2.335 15.508 181 H ASN 25 H ASN 25 2.552 -3.014 13.854 182 HA ASN 25 HA ASN 25 2.534 -5.220 12.201 183 HB2 ASN 25 HB2 ASN 25 2.869 -7.123 13.707 184 HB3 ASN 25 HB3 ASN 25 4.336 -6.151 13.645 185 HD21 ASN 25 HD21 ASN 25 1.753 -7.319 15.618 186 HD22 ASN 25 HD22 ASN 25 2.348 -6.690 17.119 187 H ASP 26 H ASP 26 0.519 -6.225 12.260 188 HA ASP 26 HA ASP 26 -1.260 -6.121 14.445 189 HB2 ASP 26 HB2 ASP 26 -1.259 -3.682 13.815 190 HB3 ASP 26 HB3 ASP 26 -1.943 -4.144 12.259 191 H ASN 27 H ASN 27 -2.005 -5.441 11.069 192 HA ASN 27 HA ASN 27 -2.892 -8.213 10.726 193 HB2 ASN 27 HB2 ASN 27 -4.896 -7.467 9.557 194 HB3 ASN 27 HB3 ASN 27 -4.872 -6.795 11.183 195 HD21 ASN 27 HD21 ASN 27 -4.555 -4.581 11.462 196 HD22 ASN 27 HD22 ASN 27 -4.733 -3.465 10.144 197 H CYS 28 H CYS 28 -3.345 -8.608 8.322 198 HA CYS 28 HA CYS 28 -1.062 -7.460 6.847 199 HG CYS 28 HG CYS 28 -0.624 -11.554 7.948 200 HB2 CYS 28 HB2 CYS 28 -2.331 -10.181 6.477 201 HB3 CYS 28 HB3 CYS 28 -0.856 -9.593 5.720 202 H THR 29 H THR 29 -4.091 -6.847 7.044 203 HA THR 29 HA THR 29 -4.868 -7.204 4.253 204 HB THR 29 HB THR 29 -6.463 -6.058 6.558 205 HG1 THR 29 HG1 THR 29 -7.381 -8.419 5.726 206 HG21 THR 29 HG21 THR 29 -8.396 -6.420 5.126 207 HG22 THR 29 HG22 THR 29 -7.355 -7.046 3.847 208 HG23 THR 29 HG23 THR 29 -7.238 -5.353 4.329 209 H SER 30 H SER 30 -4.714 -5.602 2.810 210 HA SER 30 HA SER 30 -4.010 -2.923 3.756 211 HG SER 30 HG SER 30 -2.324 -1.969 1.997 212 HB2 SER 30 HB2 SER 30 -2.640 -4.118 1.974 213 HB3 SER 30 HB3 SER 30 -4.022 -3.925 0.899 214 H LYS 31 H LYS 31 -5.768 -1.813 4.251 215 HA LYS 31 HA LYS 31 -8.155 -2.006 2.570 216 HB2 LYS 31 HB2 LYS 31 -7.623 -0.877 5.314 217 HB3 LYS 31 HB3 LYS 31 -9.130 -0.580 4.456 218 HG2 LYS 31 HG2 LYS 31 -8.280 -3.396 4.662 219 HG3 LYS 31 HG3 LYS 31 -8.765 -2.605 6.163 220 HD2 LYS 31 HD2 LYS 31 -10.422 -2.604 3.649 221 HD3 LYS 31 HD3 LYS 31 -10.619 -3.769 4.959 222 HE2 LYS 31 HE2 LYS 31 -10.877 -0.777 5.215 223 HE3 LYS 31 HE3 LYS 31 -12.218 -1.914 5.127 224 HZ1 LYS 31 HZ1 LYS 31 -10.140 -2.086 7.234 225 HZ2 LYS 31 HZ2 LYS 31 -11.670 -2.819 7.204 226 HZ3 LYS 31 HZ3 LYS 31 -11.536 -1.143 7.415 227 H PHE 32 H PHE 32 -8.445 -0.566 1.032 228 HA PHE 32 HA PHE 32 -7.431 2.160 1.469 229 HD1 PHE 32 HD1 PHE 32 -5.035 3.060 0.293 230 HD2 PHE 32 HD2 PHE 32 -8.199 2.645 -2.517 231 HE1 PHE 32 HE1 PHE 32 -4.484 5.265 -0.643 232 HE2 PHE 32 HE2 PHE 32 -7.654 4.850 -3.462 233 HZ PHE 32 HZ PHE 32 -5.794 6.164 -2.521 234 HB2 PHE 32 HB2 PHE 32 -6.064 0.866 -0.214 235 HB3 PHE 32 HB3 PHE 32 -7.506 0.787 -1.223 236 H SER 33 H SER 33 -9.012 3.556 1.529 237 HA SER 33 HA SER 33 -11.448 3.037 -0.048 238 HG SER 33 HG SER 33 -13.525 2.801 1.638 239 HB2 SER 33 HB2 SER 33 -11.584 2.689 2.518 240 HB3 SER 33 HB3 SER 33 -11.489 4.448 2.615 241 H ARG 34 H ARG 34 -11.615 4.542 -1.577 242 HA ARG 34 HA ARG 34 -10.937 7.320 -0.911 243 HE ARG 34 HE ARG 34 -7.637 9.914 -3.366 244 HB2 ARG 34 HB2 ARG 34 -9.023 6.057 -2.066 245 HB3 ARG 34 HB3 ARG 34 -10.045 6.058 -3.495 246 HG2 ARG 34 HG2 ARG 34 -10.075 8.489 -3.496 247 HG3 ARG 34 HG3 ARG 34 -9.089 8.509 -2.032 248 HD2 ARG 34 HD2 ARG 34 -7.335 7.258 -3.276 249 HD3 ARG 34 HD3 ARG 34 -8.304 7.441 -4.736 250 HH11 ARG 34 HH11 ARG 34 -6.788 7.619 -5.876 251 HH12 ARG 34 HH12 ARG 34 -5.782 8.735 -6.748 252 HH21 ARG 34 HH21 ARG 34 -6.313 11.384 -4.509 253 HH22 ARG 34 HH22 ARG 34 -5.523 10.882 -5.976 254 H PHE 35 H PHE 35 -12.011 8.876 -2.245 255 HA PHE 35 HA PHE 35 -14.425 7.757 -3.505 256 HD1 PHE 35 HD2 PHE 35 -16.701 8.156 -1.858 257 HD2 PHE 35 HD1 PHE 35 -13.288 10.081 -0.196 258 HE1 PHE 35 HE2 PHE 35 -17.334 7.344 0.376 259 HE2 PHE 35 HE1 PHE 35 -13.914 9.271 2.041 260 HZ PHE 35 HZ PHE 35 -15.943 7.900 2.327 261 HB2 PHE 35 HB2 PHE 35 -13.949 10.541 -2.421 262 HB3 PHE 35 HB3 PHE 35 -15.467 9.933 -3.072 263 H PHE 36 H PHE 36 -14.820 8.067 -5.592 264 HA PHE 36 HA PHE 36 -13.004 9.847 -7.089 265 HD1 PHE 36 HD2 PHE 36 -10.856 8.773 -8.624 266 HD2 PHE 36 HD1 PHE 36 -12.846 5.835 -6.274 267 HE1 PHE 36 HE2 PHE 36 -8.681 7.891 -7.888 268 HE2 PHE 36 HE1 PHE 36 -10.675 4.954 -5.534 269 HZ PHE 36 HZ PHE 36 -8.588 5.979 -6.342 270 HB2 PHE 36 HB2 PHE 36 -14.054 7.119 -7.871 271 HB3 PHE 36 HB3 PHE 36 -13.230 8.209 -8.983 272 H ALA 37 H ALA 37 -13.929 10.294 -9.359 273 HA ALA 37 HA ALA 37 -16.351 11.709 -9.011 274 HB1 ALA 37 HB1 ALA 37 -14.928 10.999 -11.572 275 HB2 ALA 37 HB2 ALA 37 -14.614 12.420 -10.577 276 HB3 ALA 37 HB3 ALA 37 -16.172 12.235 -11.385 277 H THR 38 H THR 38 -15.641 8.817 -11.015 278 HA THR 38 HA THR 38 -18.511 8.174 -10.840 279 HB THR 38 HB THR 38 -18.387 7.229 -13.133 280 HG1 THR 38 HG1 THR 38 -16.473 8.254 -14.337 281 HG21 THR 38 HG21 THR 38 -18.442 9.369 -14.322 282 HG22 THR 38 HG22 THR 38 -17.684 10.157 -12.938 283 HG23 THR 38 HG23 THR 38 -19.299 9.467 -12.784 284 H ARG 39 H ARG 39 -18.974 5.892 -11.366 285 HA ARG 39 HA ARG 39 -17.466 4.133 -9.753 286 HE ARG 39 HE ARG 39 -20.852 0.215 -9.172 287 HB2 ARG 39 HB2 ARG 39 -19.874 3.892 -10.250 288 HB3 ARG 39 HB3 ARG 39 -19.491 3.516 -11.916 289 HG2 ARG 39 HG2 ARG 39 -18.213 1.529 -11.065 290 HG3 ARG 39 HG3 ARG 39 -18.896 1.878 -9.474 291 HD2 ARG 39 HD2 ARG 39 -21.157 1.902 -10.816 292 HD3 ARG 39 HD3 ARG 39 -20.242 0.920 -11.958 293 HH11 ARG 39 HH11 ARG 39 -19.777 -0.686 -12.380 294 HH12 ARG 39 HH12 ARG 39 -19.856 -2.391 -12.074 295 HH21 ARG 39 HH21 ARG 39 -20.972 -2.017 -8.760 296 HH22 ARG 39 HH22 ARG 39 -20.527 -3.155 -10.003 297 H GLU 40 H GLU 40 -17.364 4.975 -13.109 298 HA GLU 40 HA GLU 40 -15.786 2.905 -14.154 299 HB2 GLU 40 HB2 GLU 40 -15.738 5.828 -14.907 300 HB3 GLU 40 HB3 GLU 40 -15.203 4.484 -15.897 301 HG2 GLU 40 HG2 GLU 40 -17.477 3.660 -16.047 302 HG3 GLU 40 HG3 GLU 40 -18.028 4.964 -14.997 303 H GLU 41 H GLU 41 -14.919 6.051 -12.805 304 HA GLU 41 HA GLU 41 -12.145 5.869 -13.078 305 HB2 GLU 41 HB2 GLU 41 -13.748 7.363 -10.989 306 HB3 GLU 41 HB3 GLU 41 -12.071 7.675 -11.407 307 HG2 GLU 41 HG2 GLU 41 -14.439 7.997 -13.229 308 HG3 GLU 41 HG3 GLU 41 -13.544 9.294 -12.439 309 H ALA 42 H ALA 42 -14.311 4.521 -10.753 310 HA ALA 42 HA ALA 42 -12.396 4.070 -8.681 311 HB1 ALA 42 HB1 ALA 42 -15.073 2.760 -9.136 312 HB2 ALA 42 HB2 ALA 42 -14.784 4.232 -8.207 313 HB3 ALA 42 HB3 ALA 42 -14.126 2.694 -7.649 314 H GLU 43 H GLU 43 -13.933 1.889 -11.067 315 HA GLU 43 HA GLU 43 -12.349 -0.352 -10.340 316 HB2 GLU 43 HB2 GLU 43 -13.143 -1.288 -12.555 317 HB3 GLU 43 HB3 GLU 43 -14.403 -0.819 -11.422 318 HG2 GLU 43 HG2 GLU 43 -14.789 1.226 -12.644 319 HG3 GLU 43 HG3 GLU 43 -13.462 0.849 -13.741 320 H SER 44 H SER 44 -11.955 2.246 -12.646 321 HA SER 44 HA SER 44 -9.778 1.138 -14.075 322 HG SER 44 HG SER 44 -12.208 2.994 -14.625 323 HB2 SER 44 HB2 SER 44 -10.488 4.053 -13.664 324 HB3 SER 44 HB3 SER 44 -9.413 3.413 -14.908 325 H PHE 45 H PHE 45 -10.019 2.815 -11.022 326 HA PHE 45 HA PHE 45 -7.263 3.496 -10.807 327 HD1 PHE 45 HD1 PHE 45 -6.555 5.471 -9.158 328 HD2 PHE 45 HD2 PHE 45 -8.304 2.469 -6.702 329 HE1 PHE 45 HE1 PHE 45 -4.877 5.920 -7.413 330 HE2 PHE 45 HE2 PHE 45 -6.632 2.911 -4.957 331 HZ PHE 45 HZ PHE 45 -4.913 4.640 -5.312 332 HB2 PHE 45 HB2 PHE 45 -8.959 4.615 -9.445 333 HB3 PHE 45 HB3 PHE 45 -9.365 3.091 -8.664 334 H MET 46 H MET 46 -9.180 0.682 -10.013 335 HA MET 46 HA MET 46 -7.169 -0.593 -8.443 336 HB2 MET 46 HB2 MET 46 -9.581 -1.085 -8.208 337 HB3 MET 46 HB3 MET 46 -9.573 -1.809 -9.809 338 HG2 MET 46 HG2 MET 46 -8.206 -3.597 -9.105 339 HG3 MET 46 HG3 MET 46 -7.823 -2.798 -7.580 340 HE1 MET 46 HE1 MET 46 -10.668 -1.636 -6.789 341 HE2 MET 46 HE2 MET 46 -9.599 -2.424 -5.630 342 HE3 MET 46 HE3 MET 46 -11.289 -2.919 -5.750 343 H THR 47 H THR 47 -7.687 -0.269 -11.816 344 HA THR 47 HA THR 47 -6.573 -2.595 -12.851 345 HB THR 47 HB THR 47 -6.177 0.180 -13.984 346 HG1 THR 47 HG1 THR 47 -8.431 -1.576 -14.039 347 HG21 THR 47 HG21 THR 47 -6.353 -2.544 -15.275 348 HG22 THR 47 HG22 THR 47 -4.910 -1.540 -15.134 349 HG23 THR 47 HG23 THR 47 -6.255 -1.012 -16.145 350 H LYS 48 H LYS 48 -4.939 0.445 -11.947 351 HA LYS 48 HA LYS 48 -2.334 -0.563 -12.543 352 HB2 LYS 48 HB2 LYS 48 -1.520 1.499 -11.463 353 HB3 LYS 48 HB3 LYS 48 -2.740 1.806 -12.691 354 HG2 LYS 48 HG2 LYS 48 -4.430 1.958 -10.876 355 HG3 LYS 48 HG3 LYS 48 -3.111 1.834 -9.712 356 HD2 LYS 48 HD2 LYS 48 -3.373 3.970 -11.823 357 HD3 LYS 48 HD3 LYS 48 -3.806 4.150 -10.127 358 HE2 LYS 48 HE2 LYS 48 -1.479 3.701 -9.493 359 HE3 LYS 48 HE3 LYS 48 -1.055 3.555 -11.200 360 HZ1 LYS 48 HZ1 LYS 48 -1.891 5.884 -11.450 361 HZ2 LYS 48 HZ2 LYS 48 -0.489 5.734 -10.520 362 HZ3 LYS 48 HZ3 LYS 48 -1.990 5.983 -9.762 363 H LEU 49 H LEU 49 -4.362 -0.479 -9.729 364 HA LEU 49 HA LEU 49 -2.398 -1.077 -7.771 365 HG LEU 49 HG LEU 49 -5.434 0.144 -6.005 366 HB2 LEU 49 HB2 LEU 49 -5.377 -1.253 -7.926 367 HB3 LEU 49 HB3 LEU 49 -4.569 -2.115 -6.635 368 HD11 LEU 49 HD11 LEU 49 -3.445 0.801 -4.771 369 HD12 LEU 49 HD12 LEU 49 -2.458 -0.239 -5.799 370 HD13 LEU 49 HD13 LEU 49 -3.673 -0.947 -4.734 371 HD21 LEU 49 HD21 LEU 49 -3.211 1.125 -7.790 372 HD22 LEU 49 HD22 LEU 49 -4.191 2.115 -6.707 373 HD23 LEU 49 HD23 LEU 49 -4.938 1.318 -8.091 374 H LYS 50 H LYS 50 -4.497 -3.104 -9.782 375 HA LYS 50 HA LYS 50 -3.848 -5.578 -8.668 376 HB2 LYS 50 HB2 LYS 50 -5.337 -4.635 -10.869 377 HB3 LYS 50 HB3 LYS 50 -4.207 -5.822 -11.510 378 HG2 LYS 50 HG2 LYS 50 -6.300 -6.875 -10.893 379 HG3 LYS 50 HG3 LYS 50 -4.986 -7.448 -9.857 380 HD2 LYS 50 HD2 LYS 50 -5.693 -5.704 -8.188 381 HD3 LYS 50 HD3 LYS 50 -7.127 -5.445 -9.186 382 HE2 LYS 50 HE2 LYS 50 -6.291 -8.054 -7.933 383 HE3 LYS 50 HE3 LYS 50 -7.558 -6.988 -7.328 384 HZ1 LYS 50 HZ1 LYS 50 -8.954 -7.520 -9.062 385 HZ2 LYS 50 HZ2 LYS 50 -8.172 -9.007 -8.802 386 HZ3 LYS 50 HZ3 LYS 50 -7.698 -8.011 -10.089 387 H GLU 51 H GLU 51 -2.247 -3.708 -11.181 388 HA GLU 51 HA GLU 51 -0.323 -5.626 -11.917 389 HB2 GLU 51 HB2 GLU 51 -0.041 -2.616 -11.888 390 HB3 GLU 51 HB3 GLU 51 0.972 -3.737 -12.784 391 HG2 GLU 51 HG2 GLU 51 -1.057 -4.446 -14.044 392 HG3 GLU 51 HG3 GLU 51 -1.940 -3.150 -13.234 393 H LEU 52 H LEU 52 -0.306 -3.068 -9.509 394 HA LEU 52 HA LEU 52 2.326 -3.529 -8.572 395 HG LEU 52 HG LEU 52 0.906 -0.983 -9.341 396 HB2 LEU 52 HB2 LEU 52 -0.051 -2.112 -7.380 397 HB3 LEU 52 HB3 LEU 52 1.524 -2.133 -6.619 398 HD11 LEU 52 HD11 LEU 52 1.342 1.178 -8.295 399 HD12 LEU 52 HD12 LEU 52 1.547 0.383 -6.735 400 HD13 LEU 52 HD13 LEU 52 -0.023 0.358 -7.536 401 HD21 LEU 52 HD21 LEU 52 3.171 -1.876 -9.238 402 HD22 LEU 52 HD22 LEU 52 3.472 -0.979 -7.750 403 HD23 LEU 52 HD23 LEU 52 3.195 -0.113 -9.261 404 H ALA 53 H ALA 53 -0.856 -4.618 -7.483 405 HA ALA 53 HA ALA 53 -0.043 -5.828 -5.082 406 HB1 ALA 53 HB1 ALA 53 -2.381 -5.296 -5.645 407 HB2 ALA 53 HB2 ALA 53 -2.179 -6.969 -5.125 408 HB3 ALA 53 HB3 ALA 53 -2.371 -6.596 -6.837 409 H ALA 54 H ALA 54 -0.059 -7.002 -8.386 410 HA ALA 54 HA ALA 54 0.244 -9.744 -7.861 411 HB1 ALA 54 HB1 ALA 54 1.038 -9.920 -10.152 412 HB2 ALA 54 HB2 ALA 54 1.270 -8.173 -10.220 413 HB3 ALA 54 HB3 ALA 54 -0.354 -8.842 -10.058 414 H ALA 55 H ALA 55 2.592 -7.128 -8.073 415 HA ALA 55 HA ALA 55 4.834 -8.934 -7.742 416 HB1 ALA 55 HB1 ALA 55 4.764 -5.921 -7.736 417 HB2 ALA 55 HB2 ALA 55 5.049 -6.937 -9.150 418 HB3 ALA 55 HB3 ALA 55 6.207 -6.931 -7.819 419 H ALA 56 H ALA 56 2.892 -6.768 -5.816 420 HA ALA 56 HA ALA 56 4.618 -6.554 -3.590 421 HB1 ALA 56 HB1 ALA 56 2.815 -4.966 -4.025 422 HB2 ALA 56 HB2 ALA 56 2.680 -5.664 -2.410 423 HB3 ALA 56 HB3 ALA 56 1.626 -6.229 -3.706 424 H SER 57 H SER 57 2.337 -8.997 -4.545 425 HA SER 57 HA SER 57 2.728 -10.315 -1.944 426 HG SER 57 HG SER 57 0.299 -9.565 -4.485 427 HB2 SER 57 HB2 SER 57 0.587 -11.520 -2.441 428 HB3 SER 57 HB3 SER 57 0.395 -9.780 -2.230 429 H SER 58 H SER 58 3.505 -12.361 -1.910 430 HA SER 58 HA SER 58 4.304 -13.549 -4.442 431 HG SER 58 HG SER 58 5.996 -12.512 -3.096 432 HB2 SER 58 HB2 SER 58 4.815 -14.571 -1.642 433 HB3 SER 58 HB3 SER 58 5.657 -15.039 -3.118 434 H ALA 59 H ALA 59 1.843 -13.699 -4.748 435 HA ALA 59 HA ALA 59 0.927 -16.321 -3.759 436 HB1 ALA 59 HB1 ALA 59 -0.788 -13.921 -4.387 437 HB2 ALA 59 HB2 ALA 59 -0.369 -14.491 -2.772 438 HB3 ALA 59 HB3 ALA 59 -1.361 -15.494 -3.830 439 H ASP 60 H ASP 60 1.368 -14.180 -6.424 440 HA ASP 60 HA ASP 60 1.560 -14.572 -8.650 441 HB2 ASP 60 HB2 ASP 60 0.826 -17.429 -7.980 442 HB3 ASP 60 HB3 ASP 60 1.270 -16.864 -9.586 443 H GLU 61 H GLU 61 -1.173 -16.516 -7.480 444 HA GLU 61 HA GLU 61 -2.715 -15.611 -9.785 445 HB2 GLU 61 HB2 GLU 61 -3.224 -17.796 -7.765 446 HB3 GLU 61 HB3 GLU 61 -4.280 -17.422 -9.123 447 HG2 GLU 61 HG2 GLU 61 -2.448 -17.913 -10.673 448 HG3 GLU 61 HG3 GLU 61 -1.413 -18.324 -9.306 449 H GLY 62 H GLY 62 -2.177 -14.088 -7.159 450 HA2 GLY 62 HA2 GLY 62 -3.573 -12.136 -6.818 451 HA3 GLY 62 HA3 GLY 62 -4.973 -13.187 -6.951 452 H ALA 63 H ALA 63 -4.185 -11.304 -4.874 453 HA ALA 63 HA ALA 63 -3.800 -13.031 -2.548 454 HB1 ALA 63 HB1 ALA 63 -3.646 -10.940 -1.281 455 HB2 ALA 63 HB2 ALA 63 -4.011 -10.027 -2.745 456 HB3 ALA 63 HB3 ALA 63 -2.515 -10.954 -2.635 457 H SER 64 H SER 64 -5.266 -12.202 -0.603 458 HA SER 64 HA SER 64 -7.970 -12.778 -1.330 459 HG SER 64 HG SER 64 -7.433 -14.450 0.479 460 HB2 SER 64 HB2 SER 64 -6.844 -11.793 1.300 461 HB3 SER 64 HB3 SER 64 -8.440 -12.492 1.056 462 H VAL 65 H VAL 65 -8.578 -11.116 -2.751 463 HA VAL 65 HA VAL 65 -8.537 -8.404 -1.661 464 HB VAL 65 HB VAL 65 -7.523 -8.498 -3.818 465 HG11 VAL 65 HG11 VAL 65 -10.049 -9.788 -4.846 466 HG12 VAL 65 HG12 VAL 65 -8.500 -10.595 -4.611 467 HG13 VAL 65 HG13 VAL 65 -8.652 -9.318 -5.817 468 HG21 VAL 65 HG21 VAL 65 -8.870 -6.526 -3.423 469 HG22 VAL 65 HG22 VAL 65 -10.302 -7.346 -4.045 470 HG23 VAL 65 HG23 VAL 65 -8.957 -6.980 -5.126 471 H ALA 66 H ALA 66 -10.259 -7.786 -0.641 472 HA ALA 66 HA ALA 66 -12.903 -8.572 -1.683 473 HB1 ALA 66 HB1 ALA 66 -12.188 -7.568 1.078 474 HB2 ALA 66 HB2 ALA 66 -12.496 -9.252 0.652 475 HB3 ALA 66 HB3 ALA 66 -13.791 -8.060 0.531 476 H TYR 67 H TYR 67 -13.436 -7.011 -3.107 477 HA TYR 67 HA TYR 67 -13.065 -4.214 -2.263 478 HD1 TYR 67 HD1 TYR 67 -12.449 -7.238 -5.130 479 HD2 TYR 67 HD2 TYR 67 -13.630 -3.319 -6.310 480 HE1 TYR 67 HE1 TYR 67 -13.356 -8.143 -7.231 481 HE2 TYR 67 HE2 TYR 67 -14.534 -4.215 -8.409 482 HH TYR 67 HH TYR 67 -15.098 -7.473 -8.925 483 HB2 TYR 67 HB2 TYR 67 -12.310 -3.584 -4.395 484 HB3 TYR 67 HB3 TYR 67 -11.466 -5.096 -4.087 485 H LYS 68 H LYS 68 -14.613 -2.736 -2.968 486 HA LYS 68 HA LYS 68 -16.717 -3.576 -4.732 487 HB2 LYS 68 HB2 LYS 68 -18.557 -3.063 -3.183 488 HB3 LYS 68 HB3 LYS 68 -17.617 -4.449 -2.659 489 HG2 LYS 68 HG2 LYS 68 -17.143 -1.700 -1.558 490 HG3 LYS 68 HG3 LYS 68 -18.356 -2.785 -0.888 491 HD2 LYS 68 HD2 LYS 68 -16.475 -4.494 -0.676 492 HD3 LYS 68 HD3 LYS 68 -15.371 -3.156 -0.997 493 HE2 LYS 68 HE2 LYS 68 -15.577 -3.498 1.386 494 HE3 LYS 68 HE3 LYS 68 -16.312 -1.956 0.942 495 HZ1 LYS 68 HZ1 LYS 68 -17.604 -3.397 2.534 496 HZ2 LYS 68 HZ2 LYS 68 -17.892 -4.445 1.229 497 HZ3 LYS 68 HZ3 LYS 68 -18.458 -2.848 1.174 498 H ILE 69 H ILE 69 -18.000 -1.854 -5.438 499 HA ILE 69 HA ILE 69 -16.870 0.806 -4.897 500 HB ILE 69 HB ILE 69 -18.331 -0.088 -7.391 501 HG12 ILE 69 HG12 ILE 69 -15.362 0.359 -6.987 502 HG13 ILE 69 HG13 ILE 69 -16.135 -1.215 -7.145 503 HG21 ILE 69 HG21 ILE 69 -16.778 2.427 -6.788 504 HG22 ILE 69 HG22 ILE 69 -18.533 2.293 -6.894 505 HG23 ILE 69 HG23 ILE 69 -17.541 2.026 -8.327 506 HD11 ILE 69 HD11 ILE 69 -15.090 -0.525 -9.225 507 HD12 ILE 69 HD12 ILE 69 -16.075 0.938 -9.246 508 HD13 ILE 69 HD13 ILE 69 -16.840 -0.643 -9.406 509 H LYS 70 H LYS 70 -18.188 2.104 -3.813 510 HA LYS 70 HA LYS 70 -21.030 1.472 -3.701 511 HB2 LYS 70 HB2 LYS 70 -19.915 1.925 -1.596 512 HB3 LYS 70 HB3 LYS 70 -19.391 3.492 -2.187 513 HG2 LYS 70 HG2 LYS 70 -21.272 3.720 -0.675 514 HG3 LYS 70 HG3 LYS 70 -21.704 4.236 -2.304 515 HD2 LYS 70 HD2 LYS 70 -23.494 2.933 -1.294 516 HD3 LYS 70 HD3 LYS 70 -22.813 2.091 -2.686 517 HE2 LYS 70 HE2 LYS 70 -21.536 0.640 -1.236 518 HE3 LYS 70 HE3 LYS 70 -22.062 1.540 0.186 519 HZ1 LYS 70 HZ1 LYS 70 -23.869 0.046 -1.640 520 HZ2 LYS 70 HZ2 LYS 70 -24.314 0.836 -0.208 521 HZ3 LYS 70 HZ3 LYS 70 -23.309 -0.530 -0.144 522 H ASP 71 H ASP 71 -22.205 2.238 -5.203 523 HA ASP 71 HA ASP 71 -21.555 4.529 -6.792 524 HB2 ASP 71 HB2 ASP 71 -23.950 2.694 -6.673 525 HB3 ASP 71 HB3 ASP 71 -23.870 4.075 -7.754 526 H LEU 72 H LEU 72 -21.852 6.540 -6.073 527 HA LEU 72 HA LEU 72 -24.198 7.112 -4.379 528 HG LEU 72 HG LEU 72 -21.496 6.212 -3.249 529 HB2 LEU 72 HB2 LEU 72 -21.509 8.492 -4.318 530 HB3 LEU 72 HB3 LEU 72 -22.885 8.883 -3.304 531 HD11 LEU 72 HD11 LEU 72 -21.078 8.594 -1.453 532 HD12 LEU 72 HD12 LEU 72 -19.922 7.959 -2.623 533 HD13 LEU 72 HD13 LEU 72 -20.381 6.989 -1.225 534 HD21 LEU 72 HD21 LEU 72 -23.439 7.547 -1.367 535 HD22 LEU 72 HD22 LEU 72 -22.617 6.016 -1.063 536 HD23 LEU 72 HD23 LEU 72 -23.760 6.153 -2.400 537 H GLU 73 H GLU 73 -24.504 9.651 -4.397 538 HA GLU 73 HA GLU 73 -25.061 10.343 -7.141 539 HB2 GLU 73 HB2 GLU 73 -25.752 11.469 -4.478 540 HB3 GLU 73 HB3 GLU 73 -25.769 12.568 -5.848 541 HG2 GLU 73 HG2 GLU 73 -27.971 11.636 -5.396 542 HG3 GLU 73 HG3 GLU 73 -27.377 11.182 -6.990 543 H GLY 74 H GLY 74 -23.315 10.903 -8.302 544 HA2 GLY 74 HA2 GLY 74 -22.064 12.699 -9.157 545 HA3 GLY 74 HA3 GLY 74 -22.096 13.458 -7.572 546 H GLN 75 H GLN 75 -21.320 10.532 -6.698 547 HA GLN 75 HA GLN 75 -18.538 10.463 -7.476 548 HB2 GLN 75 HB2 GLN 75 -17.727 10.579 -5.128 549 HB3 GLN 75 HB3 GLN 75 -18.418 12.097 -5.686 550 HG2 GLN 75 HG2 GLN 75 -20.466 11.643 -4.484 551 HG3 GLN 75 HG3 GLN 75 -19.855 10.062 -4.001 552 HE21 GLN 75 HE21 GLN 75 -17.855 12.931 -4.092 553 HE22 GLN 75 HE22 GLN 75 -17.650 13.066 -2.377 554 H VAL 76 H VAL 76 -17.433 8.616 -6.287 555 HA VAL 76 HA VAL 76 -19.330 6.595 -5.333 556 HB VAL 76 HB VAL 76 -18.149 4.819 -6.554 557 HG11 VAL 76 HG11 VAL 76 -19.073 5.293 -8.788 558 HG12 VAL 76 HG12 VAL 76 -19.304 6.977 -8.316 559 HG13 VAL 76 HG13 VAL 76 -20.199 5.700 -7.494 560 HG21 VAL 76 HG21 VAL 76 -16.646 5.371 -8.397 561 HG22 VAL 76 HG22 VAL 76 -16.001 5.925 -6.851 562 HG23 VAL 76 HG23 VAL 76 -16.739 7.078 -7.966 563 H GLU 77 H GLU 77 -18.427 5.031 -3.971 564 HA GLU 77 HA GLU 77 -15.868 5.834 -2.780 565 HB2 GLU 77 HB2 GLU 77 -17.687 5.751 -1.188 566 HB3 GLU 77 HB3 GLU 77 -18.135 4.137 -1.717 567 HG2 GLU 77 HG2 GLU 77 -16.021 3.267 -0.846 568 HG3 GLU 77 HG3 GLU 77 -15.578 4.887 -0.313 569 H LEU 78 H LEU 78 -14.183 4.751 -3.555 570 HA LEU 78 HA LEU 78 -14.515 1.973 -4.404 571 HG LEU 78 HG LEU 78 -11.563 2.231 -6.582 572 HB2 LEU 78 HB2 LEU 78 -13.251 3.630 -5.815 573 HB3 LEU 78 HB3 LEU 78 -12.051 3.719 -4.543 574 HD11 LEU 78 HD11 LEU 78 -10.385 0.570 -5.233 575 HD12 LEU 78 HD12 LEU 78 -11.318 1.056 -3.817 576 HD13 LEU 78 HD13 LEU 78 -10.194 2.192 -4.564 577 HD21 LEU 78 HD21 LEU 78 -12.418 -0.057 -6.436 578 HD22 LEU 78 HD22 LEU 78 -13.713 1.112 -6.695 579 HD23 LEU 78 HD23 LEU 78 -13.456 0.422 -5.093 580 H ASP 79 H ASP 79 -14.374 0.524 -2.859 581 HA ASP 79 HA ASP 79 -12.531 1.047 -0.612 582 HB2 ASP 79 HB2 ASP 79 -15.009 1.359 -0.103 583 HB3 ASP 79 HB3 ASP 79 -15.190 -0.370 -0.369 584 H ALA 80 H ALA 80 -10.959 -0.410 -0.658 585 HA ALA 80 HA ALA 80 -11.610 -3.158 -1.490 586 HB1 ALA 80 HB1 ALA 80 -9.236 -1.569 -2.453 587 HB2 ALA 80 HB2 ALA 80 -10.656 -1.990 -3.410 588 HB3 ALA 80 HB3 ALA 80 -9.576 -3.258 -2.832 589 H ALA 81 H ALA 81 -10.628 -4.741 -0.396 590 HA ALA 81 HA ALA 81 -8.467 -4.031 1.474 591 HB1 ALA 81 HB1 ALA 81 -10.697 -6.019 1.903 592 HB2 ALA 81 HB2 ALA 81 -10.513 -4.464 2.716 593 HB3 ALA 81 HB3 ALA 81 -9.341 -5.752 2.997 594 H PHE 82 H PHE 82 -6.673 -4.827 0.570 595 HA PHE 82 HA PHE 82 -6.732 -7.470 -0.714 596 HD1 PHE 82 HD1 PHE 82 -6.328 -3.772 -1.564 597 HD2 PHE 82 HD2 PHE 82 -5.056 -7.330 -3.532 598 HE1 PHE 82 HE1 PHE 82 -7.201 -2.905 -3.695 599 HE2 PHE 82 HE2 PHE 82 -5.931 -6.466 -5.663 600 HZ PHE 82 HZ PHE 82 -7.004 -4.252 -5.747 601 HB2 PHE 82 HB2 PHE 82 -4.601 -5.317 -0.600 602 HB3 PHE 82 HB3 PHE 82 -4.351 -6.893 -1.340 603 H THR 83 H THR 83 -6.362 -9.157 0.566 604 HA THR 83 HA THR 83 -4.937 -8.705 3.086 605 HB THR 83 HB THR 83 -6.480 -11.177 2.281 606 HG1 THR 83 HG1 THR 83 -7.882 -9.376 2.226 607 HG21 THR 83 HG21 THR 83 -5.702 -10.050 4.977 608 HG22 THR 83 HG22 THR 83 -4.965 -11.443 4.186 609 HG23 THR 83 HG23 THR 83 -6.648 -11.514 4.706 610 H PHE 84 H PHE 84 -2.851 -9.131 3.080 611 HA PHE 84 HA PHE 84 -1.764 -11.043 1.145 612 HD1 PHE 84 HD1 PHE 84 -0.168 -9.615 -0.740 613 HD2 PHE 84 HD2 PHE 84 -1.473 -7.016 2.365 614 HE1 PHE 84 HE1 PHE 84 -0.630 -7.864 -2.407 615 HE2 PHE 84 HE2 PHE 84 -1.938 -5.260 0.704 616 HZ PHE 84 HZ PHE 84 -1.517 -5.683 -1.684 617 HB2 PHE 84 HB2 PHE 84 -0.336 -9.024 2.892 618 HB3 PHE 84 HB3 PHE 84 0.406 -10.014 1.640 619 H SER 85 H SER 85 0.181 -12.306 1.986 620 HA SER 85 HA SER 85 -0.627 -13.948 4.138 621 HG SER 85 HG SER 85 -0.284 -15.004 2.062 622 HB2 SER 85 HB2 SER 85 2.114 -13.753 2.865 623 HB3 SER 85 HB3 SER 85 1.458 -15.128 3.758 624 H CYS 86 H CYS 86 1.762 -11.355 3.856 625 HA CYS 86 HA CYS 86 1.994 -11.323 6.787 626 HG CYS 86 HG CYS 86 5.215 -13.276 6.563 627 HB2 CYS 86 HB2 CYS 86 4.270 -10.825 4.858 628 HB3 CYS 86 HB3 CYS 86 4.369 -10.872 6.613 629 H GLN 87 H GLN 87 2.468 -9.212 7.690 630 HA GLN 87 HA GLN 87 1.166 -7.091 6.357 631 HB2 GLN 87 HB2 GLN 87 1.288 -7.098 8.782 632 HB3 GLN 87 HB3 GLN 87 3.044 -6.999 8.726 633 HG2 GLN 87 HG2 GLN 87 2.957 -4.798 7.796 634 HG3 GLN 87 HG3 GLN 87 1.212 -4.889 7.613 635 HE21 GLN 87 HE21 GLN 87 -0.091 -4.770 9.452 636 HE22 GLN 87 HE22 GLN 87 0.497 -4.065 10.919 637 H ALA 88 H ALA 88 4.477 -8.141 6.421 638 HA ALA 88 HA ALA 88 5.840 -5.933 5.494 639 HB1 ALA 88 HB1 ALA 88 6.242 -8.800 4.643 640 HB2 ALA 88 HB2 ALA 88 6.921 -8.047 6.086 641 HB3 ALA 88 HB3 ALA 88 7.420 -7.499 4.485 642 H GLU 89 H GLU 89 4.085 -8.362 3.596 643 HA GLU 89 HA GLU 89 4.537 -7.215 1.055 644 HB2 GLU 89 HB2 GLU 89 2.015 -8.717 1.674 645 HB3 GLU 89 HB3 GLU 89 3.030 -8.805 0.244 646 HG2 GLU 89 HG2 GLU 89 3.907 -9.852 2.915 647 HG3 GLU 89 HG3 GLU 89 2.997 -10.823 1.764 648 H MET 90 H MET 90 2.266 -6.580 3.594 649 HA MET 90 HA MET 90 0.342 -5.198 1.994 650 HB2 MET 90 HB2 MET 90 -0.100 -6.410 4.180 651 HB3 MET 90 HB3 MET 90 0.675 -5.062 4.994 652 HG2 MET 90 HG2 MET 90 -1.693 -4.707 3.189 653 HG3 MET 90 HG3 MET 90 -1.855 -5.072 4.903 654 HE1 MET 90 HE1 MET 90 -1.114 -3.437 6.845 655 HE2 MET 90 HE2 MET 90 -0.246 -1.926 6.569 656 HE3 MET 90 HE3 MET 90 0.526 -3.467 6.192 657 H ILE 91 H ILE 91 2.859 -4.183 4.305 658 HA ILE 91 HA ILE 91 2.305 -1.422 3.998 659 HB ILE 91 HB ILE 91 4.606 -1.126 5.051 660 HG12 ILE 91 HG12 ILE 91 4.358 -4.105 5.475 661 HG13 ILE 91 HG13 ILE 91 5.453 -3.370 4.315 662 HG21 ILE 91 HG21 ILE 91 2.537 -1.004 6.313 663 HG22 ILE 91 HG22 ILE 91 3.790 -1.803 7.261 664 HG23 ILE 91 HG23 ILE 91 2.524 -2.757 6.490 665 HD11 ILE 91 HD11 ILE 91 6.601 -2.222 6.147 666 HD12 ILE 91 HD12 ILE 91 6.617 -3.974 6.344 667 HD13 ILE 91 HD13 ILE 91 5.506 -2.990 7.298 668 H ILE 92 H ILE 92 4.751 -3.567 2.505 669 HA ILE 92 HA ILE 92 6.075 -1.517 1.109 670 HB ILE 92 HB ILE 92 6.952 -3.256 -0.377 671 HG12 ILE 92 HG12 ILE 92 6.282 -5.683 0.557 672 HG13 ILE 92 HG13 ILE 92 4.748 -4.849 0.782 673 HG21 ILE 92 HG21 ILE 92 6.968 -3.966 2.539 674 HG22 ILE 92 HG22 ILE 92 8.065 -2.864 1.706 675 HG23 ILE 92 HG23 ILE 92 8.102 -4.589 1.339 676 HD11 ILE 92 HD11 ILE 92 4.774 -5.966 -1.343 677 HD12 ILE 92 HD12 ILE 92 6.270 -5.149 -1.795 678 HD13 ILE 92 HD13 ILE 92 4.782 -4.223 -1.598 679 H PHE 93 H PHE 93 3.144 -3.259 0.483 680 HA PHE 93 HA PHE 93 2.749 -2.588 -2.209 681 HD1 PHE 93 HD2 PHE 93 1.131 -3.672 -3.671 682 HD2 PHE 93 HD1 PHE 93 -1.402 -2.390 -0.496 683 HE1 PHE 93 HE2 PHE 93 -0.708 -3.354 -5.269 684 HE2 PHE 93 HE1 PHE 93 -3.247 -2.070 -2.092 685 HZ PHE 93 HZ PHE 93 -2.897 -2.552 -4.482 686 HB2 PHE 93 HB2 PHE 93 1.419 -4.284 -1.056 687 HB3 PHE 93 HB3 PHE 93 0.726 -3.055 -0.007 688 H GLU 94 H GLU 94 1.645 -0.929 0.762 689 HA GLU 94 HA GLU 94 0.509 1.209 -0.773 690 HB2 GLU 94 HB2 GLU 94 -0.167 2.178 1.294 691 HB3 GLU 94 HB3 GLU 94 -0.420 0.447 1.414 692 HG2 GLU 94 HG2 GLU 94 0.532 0.731 3.423 693 HG3 GLU 94 HG3 GLU 94 2.030 0.625 2.498 694 H LEU 95 H LEU 95 3.542 0.627 0.867 695 HA LEU 95 HA LEU 95 4.641 3.196 0.738 696 HG LEU 95 HG LEU 95 5.061 1.105 2.736 697 HB2 LEU 95 HB2 LEU 95 5.906 0.474 0.464 698 HB3 LEU 95 HB3 LEU 95 6.849 1.951 0.456 699 HD11 LEU 95 HD11 LEU 95 7.123 0.500 3.901 700 HD12 LEU 95 HD12 LEU 95 8.053 0.850 2.444 701 HD13 LEU 95 HD13 LEU 95 6.896 -0.481 2.452 702 HD21 LEU 95 HD21 LEU 95 6.260 2.824 3.979 703 HD22 LEU 95 HD22 LEU 95 5.448 3.516 2.574 704 HD23 LEU 95 HD23 LEU 95 7.189 3.235 2.536 705 H SER 96 H SER 96 4.644 0.592 -1.675 706 HA SER 96 HA SER 96 5.936 1.959 -3.730 707 HG SER 96 HG SER 96 5.422 -0.994 -2.811 708 HB2 SER 96 HB2 SER 96 3.748 -0.122 -3.970 709 HB3 SER 96 HB3 SER 96 4.872 0.342 -5.248 710 H LEU 97 H LEU 97 2.538 1.911 -2.785 711 HA LEU 97 HA LEU 97 1.510 3.428 -4.914 712 HG LEU 97 HG LEU 97 0.529 1.094 -2.957 713 HB2 LEU 97 HB2 LEU 97 0.568 3.363 -2.042 714 HB3 LEU 97 HB3 LEU 97 -0.360 3.944 -3.413 715 HD11 LEU 97 HD11 LEU 97 -1.870 0.660 -2.686 716 HD12 LEU 97 HD12 LEU 97 -2.191 2.389 -2.820 717 HD13 LEU 97 HD13 LEU 97 -1.257 1.768 -1.459 718 HD21 LEU 97 HD21 LEU 97 -0.861 0.590 -4.915 719 HD22 LEU 97 HD22 LEU 97 0.496 1.640 -5.323 720 HD23 LEU 97 HD23 LEU 97 -1.125 2.316 -5.162 721 H ARG 98 H ARG 98 2.711 4.391 -1.726 722 HA ARG 98 HA ARG 98 2.235 7.153 -2.009 723 HE ARG 98 HE ARG 98 3.766 7.506 2.194 724 HB2 ARG 98 HB2 ARG 98 4.038 5.541 -0.232 725 HB3 ARG 98 HB3 ARG 98 3.990 7.298 -0.148 726 HG2 ARG 98 HG2 ARG 98 1.787 7.330 0.588 727 HG3 ARG 98 HG3 ARG 98 1.482 5.684 0.030 728 HD2 ARG 98 HD2 ARG 98 1.654 5.822 2.458 729 HD3 ARG 98 HD3 ARG 98 2.901 4.794 1.765 730 HH11 ARG 98 HH11 ARG 98 3.349 4.331 3.637 731 HH12 ARG 98 HH12 ARG 98 4.526 4.614 4.885 732 HH21 ARG 98 HH21 ARG 98 5.318 7.883 3.867 733 HH22 ARG 98 HH22 ARG 98 5.636 6.622 5.018 734 H SER 99 H SER 99 5.003 5.138 -2.813 735 HA SER 99 HA SER 99 6.734 7.368 -3.340 736 HG SER 99 HG SER 99 6.862 4.634 -1.838 737 HB2 SER 99 HB2 SER 99 7.099 4.452 -4.056 738 HB3 SER 99 HB3 SER 99 8.360 5.685 -4.006 739 H LEU 100 H LEU 100 4.507 5.462 -5.201 740 HA LEU 100 HA LEU 100 5.667 6.361 -7.720 741 HG LEU 100 HG LEU 100 3.259 5.551 -9.490 742 HB2 LEU 100 HB2 LEU 100 4.905 4.038 -7.464 743 HB3 LEU 100 HB3 LEU 100 3.272 4.605 -7.203 744 HD11 LEU 100 HD11 LEU 100 5.666 5.908 -9.733 745 HD12 LEU 100 HD12 LEU 100 5.015 4.947 -11.059 746 HD13 LEU 100 HD13 LEU 100 5.921 4.163 -9.765 747 HD21 LEU 100 HD21 LEU 100 3.097 3.419 -10.664 748 HD22 LEU 100 HD22 LEU 100 2.356 3.325 -9.066 749 HD23 LEU 100 HD23 LEU 100 3.949 2.619 -9.343 750 H ALA 101 H ALA 101 2.513 6.476 -6.073 751 HA ALA 101 HA ALA 101 1.508 8.450 -7.924 752 HB1 ALA 101 HB1 ALA 101 0.006 6.755 -7.021 753 HB2 ALA 101 HB2 ALA 101 -0.524 8.367 -6.540 754 HB3 ALA 101 HB3 ALA 101 0.318 7.334 -5.384 755 H LEU 102 H LEU 102 3.805 9.356 -6.777 756 HA LEU 102 HA LEU 102 3.503 11.000 -4.526 757 HG LEU 102 HG LEU 102 5.849 9.437 -5.201 758 HB2 LEU 102 HB2 LEU 102 5.308 11.150 -6.925 759 HB3 LEU 102 HB3 LEU 102 5.355 12.378 -5.676 760 HD11 LEU 102 HD11 LEU 102 7.616 10.390 -6.558 761 HD12 LEU 102 HD12 LEU 102 8.194 10.114 -4.915 762 HD13 LEU 102 HD13 LEU 102 7.774 11.745 -5.442 763 HD21 LEU 102 HD21 LEU 102 4.962 10.597 -3.252 764 HD22 LEU 102 HD22 LEU 102 6.190 11.849 -3.423 765 HD23 LEU 102 HD23 LEU 102 6.666 10.200 -3.019 766 H GLU 103 H GLU 103 3.536 12.060 -7.924 767 HA GLU 103 HA GLU 103 2.713 13.880 -8.971 768 HB2 GLU 103 HB2 GLU 103 0.507 13.172 -7.090 769 HB3 GLU 103 HB3 GLU 103 0.403 14.692 -7.966 770 HG2 GLU 103 HG2 GLU 103 -0.797 12.959 -9.143 771 HG3 GLU 103 HG3 GLU 103 0.593 13.485 -10.085 772 H HIS 104 H HIS 104 1.514 14.741 -5.745 773 HA HIS 104 HA HIS 104 3.638 16.637 -5.350 774 HD1 HIS 104 HD1 HIS 104 -0.091 18.897 -4.106 775 HD2 HIS 104 HD2 HIS 104 -0.193 16.560 -7.550 776 HE1 HIS 104 HE1 HIS 104 -2.532 18.547 -4.622 777 HE2 HIS 104 HE2 HIS 104 -2.572 17.201 -6.750 778 HB2 HIS 104 HB2 HIS 104 2.162 18.617 -5.142 779 HB3 HIS 104 HB3 HIS 104 2.228 17.989 -6.780 780 H HIS 105 H HIS 105 3.360 14.609 -3.776 781 HA HIS 105 HA HIS 105 1.801 15.523 -1.453 782 HD1 HIS 105 HD1 HIS 105 1.112 11.405 -3.297 783 HD2 HIS 105 HD2 HIS 105 -0.561 14.689 -1.378 784 HE1 HIS 105 HE1 HIS 105 -1.330 11.361 -3.892 785 HE2 HIS 105 HE2 HIS 105 -2.357 13.183 -2.480 786 HB2 HIS 105 HB2 HIS 105 2.816 12.766 -2.160 787 HB3 HIS 105 HB3 HIS 105 2.140 13.175 -0.586 788 H HIS 106 H HIS 106 3.121 16.924 -0.493 789 HA HIS 106 HA HIS 106 5.810 15.981 0.279 790 HD1 HIS 106 HD1 HIS 106 6.040 20.463 1.173 791 HD2 HIS 106 HD2 HIS 106 8.390 17.148 0.265 792 HE1 HIS 106 HE1 HIS 106 8.295 20.925 2.185 793 HE2 HIS 106 HE2 HIS 106 9.724 18.944 1.572 794 HB2 HIS 106 HB2 HIS 106 5.857 17.897 -1.255 795 HB3 HIS 106 HB3 HIS 106 4.806 18.805 -0.178 796 H HIS 107 H HIS 107 2.741 16.654 1.390 797 HA HIS 107 HA HIS 107 3.399 17.872 3.902 798 HD1 HIS 107 HD1 HIS 107 -0.435 18.431 1.554 799 HD2 HIS 107 HD2 HIS 107 2.360 20.100 4.151 800 HE1 HIS 107 HE1 HIS 107 -0.592 20.923 1.219 801 HE2 HIS 107 HE2 HIS 107 1.045 21.921 2.864 802 HB2 HIS 107 HB2 HIS 107 0.866 16.704 2.771 803 HB3 HIS 107 HB3 HIS 107 0.962 17.252 4.439 804 H HIS 108 H HIS 108 3.765 14.747 2.812 805 HA HIS 108 HA HIS 108 3.874 13.759 5.566 806 HD1 HIS 108 HD1 HIS 108 4.076 10.133 4.399 807 HD2 HIS 108 HD2 HIS 108 1.130 11.789 6.830 808 HE1 HIS 108 HE1 HIS 108 3.673 8.451 6.219 809 HE2 HIS 108 HE2 HIS 108 1.796 9.406 7.601 810 HB2 HIS 108 HB2 HIS 108 1.675 13.087 4.503 811 HB3 HIS 108 HB3 HIS 108 2.602 12.159 3.331 812 H HIS 109 H HIS 109 5.559 12.394 5.942 813 HA HIS 109 HA HIS 109 7.191 11.641 3.607 814 HD1 HIS 109 HD1 HIS 109 10.738 12.793 4.489 815 HD2 HIS 109 HD2 HIS 109 7.144 14.766 5.215 816 HE1 HIS 109 HE1 HIS 109 11.131 15.190 3.832 817 HE2 HIS 109 HE2 HIS 109 8.966 16.385 4.355 818 HB2 HIS 109 HB2 HIS 109 7.945 12.084 6.501 819 HB3 HIS 109 HB3 HIS 109 9.009 11.261 5.366 Start of MODEL 17 1 HA MET 1 HA MET 1 36.690 4.385 34.478 2 H1 MET 1 H1 MET 1 35.996 4.670 36.758 3 H2 MET 1 H2 MET 1 34.368 4.549 36.306 4 H3 MET 1 H3 MET 1 35.299 5.855 35.765 5 HB2 MET 1 HB2 MET 1 34.746 2.263 35.418 6 HB3 MET 1 HB3 MET 1 35.924 2.040 34.135 7 HG2 MET 1 HG2 MET 1 36.885 1.059 36.015 8 HG3 MET 1 HG3 MET 1 37.690 2.619 35.857 9 HE1 MET 1 HE1 MET 1 37.953 1.005 38.489 10 HE2 MET 1 HE2 MET 1 37.621 2.224 39.720 11 HE3 MET 1 HE3 MET 1 38.603 2.633 38.311 12 H ALA 2 H ALA 2 36.202 5.110 32.517 13 HA ALA 2 HA ALA 2 33.552 4.588 31.414 14 HB1 ALA 2 HB1 ALA 2 33.258 6.886 30.662 15 HB2 ALA 2 HB2 ALA 2 34.760 7.352 31.458 16 HB3 ALA 2 HB3 ALA 2 33.382 6.819 32.420 17 H MET 3 H MET 3 34.247 3.283 29.828 18 HA MET 3 HA MET 3 36.416 4.215 28.084 19 HB2 MET 3 HB2 MET 3 35.126 1.503 28.394 20 HB3 MET 3 HB3 MET 3 36.280 1.878 27.127 21 HG2 MET 3 HG2 MET 3 37.485 0.783 28.821 22 HG3 MET 3 HG3 MET 3 37.910 2.489 28.938 23 HE1 MET 3 HE1 MET 3 38.469 0.298 31.238 24 HE2 MET 3 HE2 MET 3 38.064 1.256 32.662 25 HE3 MET 3 HE3 MET 3 38.957 1.991 31.330 26 H LYS 4 H LYS 4 33.354 2.454 27.652 27 HA LYS 4 HA LYS 4 31.639 2.664 26.198 28 HB2 LYS 4 HB2 LYS 4 31.461 4.931 27.071 29 HB3 LYS 4 HB3 LYS 4 32.656 5.494 25.911 30 HG2 LYS 4 HG2 LYS 4 31.186 5.261 24.113 31 HG3 LYS 4 HG3 LYS 4 30.094 4.216 25.026 32 HD2 LYS 4 HD2 LYS 4 29.473 6.091 26.452 33 HD3 LYS 4 HD3 LYS 4 30.602 7.137 25.590 34 HE2 LYS 4 HE2 LYS 4 28.378 5.706 24.171 35 HE3 LYS 4 HE3 LYS 4 28.122 7.261 24.961 36 HZ1 LYS 4 HZ1 LYS 4 29.813 8.235 23.573 37 HZ2 LYS 4 HZ2 LYS 4 28.636 7.497 22.601 38 HZ3 LYS 4 HZ3 LYS 4 30.136 6.738 22.839 39 H ASP 5 H ASP 5 32.024 1.300 24.596 40 HA ASP 5 HA ASP 5 33.805 2.162 22.415 41 HB2 ASP 5 HB2 ASP 5 34.477 0.100 23.585 42 HB3 ASP 5 HB3 ASP 5 32.925 -0.629 23.194 43 H VAL 6 H VAL 6 33.167 1.608 20.216 44 HA VAL 6 HA VAL 6 30.289 1.203 19.825 45 HB VAL 6 HB VAL 6 30.718 3.631 19.707 46 HG11 VAL 6 HG11 VAL 6 32.046 4.565 17.865 47 HG12 VAL 6 HG12 VAL 6 32.568 2.938 17.430 48 HG13 VAL 6 HG13 VAL 6 33.029 3.626 18.987 49 HG21 VAL 6 HG21 VAL 6 28.929 2.694 18.366 50 HG22 VAL 6 HG22 VAL 6 30.056 2.372 17.049 51 HG23 VAL 6 HG23 VAL 6 29.693 4.036 17.513 52 H VAL 7 H VAL 7 29.744 0.144 17.902 53 HA VAL 7 HA VAL 7 32.036 -1.043 16.479 54 HB VAL 7 HB VAL 7 29.256 -2.206 16.748 55 HG11 VAL 7 HG11 VAL 7 31.823 -3.369 15.672 56 HG12 VAL 7 HG12 VAL 7 30.393 -2.936 14.736 57 HG13 VAL 7 HG13 VAL 7 30.319 -4.261 15.898 58 HG21 VAL 7 HG21 VAL 7 31.787 -2.919 18.225 59 HG22 VAL 7 HG22 VAL 7 30.271 -3.817 18.300 60 HG23 VAL 7 HG23 VAL 7 30.350 -2.166 18.917 61 H ASP 8 H ASP 8 32.320 -0.190 14.528 62 HA ASP 8 HA ASP 8 30.072 -0.189 12.693 63 HB2 ASP 8 HB2 ASP 8 30.112 2.133 13.653 64 HB3 ASP 8 HB3 ASP 8 31.734 2.322 12.994 65 H LYS 9 H LYS 9 30.838 -1.471 11.156 66 HA LYS 9 HA LYS 9 33.680 -1.394 10.500 67 HB2 LYS 9 HB2 LYS 9 32.453 -3.568 10.836 68 HB3 LYS 9 HB3 LYS 9 31.539 -3.208 9.378 69 HG2 LYS 9 HG2 LYS 9 33.320 -4.722 8.849 70 HG3 LYS 9 HG3 LYS 9 33.650 -3.154 8.107 71 HD2 LYS 9 HD2 LYS 9 35.153 -2.605 9.976 72 HD3 LYS 9 HD3 LYS 9 34.848 -4.196 10.672 73 HE2 LYS 9 HE2 LYS 9 36.126 -3.624 8.005 74 HE3 LYS 9 HE3 LYS 9 36.948 -4.183 9.460 75 HZ1 LYS 9 HZ1 LYS 9 34.953 -5.670 7.841 76 HZ2 LYS 9 HZ2 LYS 9 35.499 -6.187 9.362 77 HZ3 LYS 9 HZ3 LYS 9 36.592 -6.051 8.070 78 H CYS 10 H CYS 10 30.631 -1.472 8.644 79 HA CYS 10 HA CYS 10 31.294 0.855 7.151 80 HG CYS 10 HG CYS 10 31.254 1.430 4.626 81 HB2 CYS 10 HB2 CYS 10 32.808 -0.802 6.059 82 HB3 CYS 10 HB3 CYS 10 31.397 -1.766 5.637 83 H SER 11 H SER 11 29.472 1.740 6.367 84 HA SER 11 HA SER 11 26.997 0.249 6.762 85 HG SER 11 HG SER 11 25.412 3.197 5.799 86 HB2 SER 11 HB2 SER 11 27.175 2.496 7.743 87 HB3 SER 11 HB3 SER 11 27.475 3.181 6.148 88 H THR 12 H THR 12 26.553 -1.026 5.065 89 HA THR 12 HA THR 12 26.704 0.147 2.377 90 HB THR 12 HB THR 12 27.999 -1.862 2.490 91 HG1 THR 12 HG1 THR 12 27.012 -1.905 0.561 92 HG21 THR 12 HG21 THR 12 27.055 -4.032 3.153 93 HG22 THR 12 HG22 THR 12 25.548 -3.232 3.599 94 HG23 THR 12 HG23 THR 12 27.033 -2.873 4.482 95 H LYS 13 H LYS 13 24.859 0.907 1.613 96 HA LYS 13 HA LYS 13 22.388 -0.549 1.854 97 HB2 LYS 13 HB2 LYS 13 22.589 0.611 4.060 98 HB3 LYS 13 HB3 LYS 13 22.619 2.146 3.209 99 HG2 LYS 13 HG2 LYS 13 20.368 1.826 2.435 100 HG3 LYS 13 HG3 LYS 13 20.333 0.189 3.097 101 HD2 LYS 13 HD2 LYS 13 20.705 2.696 4.734 102 HD3 LYS 13 HD3 LYS 13 19.169 1.851 4.528 103 HE2 LYS 13 HE2 LYS 13 20.020 -0.101 5.614 104 HE3 LYS 13 HE3 LYS 13 21.655 0.557 5.635 105 HZ1 LYS 13 HZ1 LYS 13 20.951 2.241 7.181 106 HZ2 LYS 13 HZ2 LYS 13 20.535 0.717 7.791 107 HZ3 LYS 13 HZ3 LYS 13 19.340 1.712 7.102 108 H GLY 14 H GLY 14 20.668 0.449 0.579 109 HA2 GLY 14 HA2 GLY 14 20.055 2.339 -0.886 110 HA3 GLY 14 HA3 GLY 14 21.745 2.402 -1.368 111 H CYS 15 H CYS 15 20.774 -0.770 -0.963 112 HA CYS 15 HA CYS 15 20.509 -1.080 -3.869 113 HG CYS 15 HG CYS 15 20.566 -3.340 -5.065 114 HB2 CYS 15 HB2 CYS 15 22.322 -2.310 -2.562 115 HB3 CYS 15 HB3 CYS 15 21.026 -3.265 -1.853 116 H ALA 16 H ALA 16 18.309 -0.138 -2.417 117 HA ALA 16 HA ALA 16 16.365 -2.156 -3.100 118 HB1 ALA 16 HB1 ALA 16 15.245 -2.150 -0.931 119 HB2 ALA 16 HB2 ALA 16 16.514 -1.120 -0.268 120 HB3 ALA 16 HB3 ALA 16 16.892 -2.762 -0.789 121 H ILE 17 H ILE 17 14.407 -1.301 -3.635 122 HA ILE 17 HA ILE 17 14.214 1.585 -3.766 123 HB ILE 17 HB ILE 17 13.425 0.377 -5.696 124 HG12 ILE 17 HG12 ILE 17 11.053 1.490 -4.185 125 HG13 ILE 17 HG13 ILE 17 12.238 2.456 -5.057 126 HG21 ILE 17 HG21 ILE 17 11.492 -1.135 -5.614 127 HG22 ILE 17 HG22 ILE 17 11.482 -1.010 -3.855 128 HG23 ILE 17 HG23 ILE 17 12.858 -1.746 -4.679 129 HD11 ILE 17 HD11 ILE 17 11.560 1.401 -7.150 130 HD12 ILE 17 HD12 ILE 17 10.192 2.167 -6.341 131 HD13 ILE 17 HD13 ILE 17 10.387 0.416 -6.273 132 H ASP 18 H ASP 18 13.292 2.800 -2.270 133 HA ASP 18 HA ASP 18 11.366 1.618 -0.417 134 HB2 ASP 18 HB2 ASP 18 13.842 1.433 0.395 135 HB3 ASP 18 HB3 ASP 18 13.701 3.163 0.678 136 H ILE 19 H ILE 19 10.493 3.332 1.069 137 HA ILE 19 HA ILE 19 10.008 5.762 -0.492 138 HB ILE 19 HB ILE 19 8.585 4.804 2.000 139 HG12 ILE 19 HG12 ILE 19 8.281 3.195 0.189 140 HG13 ILE 19 HG13 ILE 19 6.786 4.075 0.477 141 HG21 ILE 19 HG21 ILE 19 7.801 6.895 -0.028 142 HG22 ILE 19 HG22 ILE 19 8.379 7.208 1.609 143 HG23 ILE 19 HG23 ILE 19 6.839 6.384 1.359 144 HD11 ILE 19 HD11 ILE 19 7.199 3.760 -1.896 145 HD12 ILE 19 HD12 ILE 19 8.741 4.604 -1.752 146 HD13 ILE 19 HD13 ILE 19 7.231 5.473 -1.473 147 H GLY 20 H GLY 20 11.594 4.606 2.344 148 HA2 GLY 20 HA2 GLY 20 13.279 5.881 3.446 149 HA3 GLY 20 HA3 GLY 20 12.447 7.355 2.967 150 H THR 21 H THR 21 9.881 5.959 3.783 151 HA THR 21 HA THR 21 10.172 6.081 6.692 152 HB THR 21 HB THR 21 9.381 8.295 5.968 153 HG1 THR 21 HG1 THR 21 8.376 8.116 7.811 154 HG21 THR 21 HG21 THR 21 7.035 6.802 4.792 155 HG22 THR 21 HG22 THR 21 8.273 7.673 3.887 156 HG23 THR 21 HG23 THR 21 7.168 8.555 4.941 157 H VAL 22 H VAL 22 8.778 4.754 7.814 158 HA VAL 22 HA VAL 22 6.984 3.051 6.223 159 HB VAL 22 HB VAL 22 8.839 2.056 8.401 160 HG11 VAL 22 HG11 VAL 22 6.750 0.819 8.321 161 HG12 VAL 22 HG12 VAL 22 8.081 -0.175 7.725 162 HG13 VAL 22 HG13 VAL 22 6.951 0.560 6.588 163 HG21 VAL 22 HG21 VAL 22 9.991 0.832 6.602 164 HG22 VAL 22 HG22 VAL 22 10.115 2.580 6.411 165 HG23 VAL 22 HG23 VAL 22 8.986 1.662 5.412 166 H ILE 23 H ILE 23 5.034 2.691 7.146 167 HA ILE 23 HA ILE 23 4.173 4.154 9.382 168 HB ILE 23 HB ILE 23 2.611 3.397 7.661 169 HG12 ILE 23 HG12 ILE 23 1.966 2.196 10.364 170 HG13 ILE 23 HG13 ILE 23 1.744 3.884 9.917 171 HG21 ILE 23 HG21 ILE 23 3.606 1.251 7.136 172 HG22 ILE 23 HG22 ILE 23 1.898 1.054 7.530 173 HG23 ILE 23 HG23 ILE 23 3.132 0.624 8.715 174 HD11 ILE 23 HD11 ILE 23 -0.352 2.667 9.855 175 HD12 ILE 23 HD12 ILE 23 0.326 1.529 8.690 176 HD13 ILE 23 HD13 ILE 23 0.099 3.221 8.244 177 H ASP 24 H ASP 24 3.713 3.545 11.494 178 HA ASP 24 HA ASP 24 5.577 2.002 12.822 179 HB2 ASP 24 HB2 ASP 24 2.819 2.895 13.629 180 HB3 ASP 24 HB3 ASP 24 3.857 1.993 14.725 181 H ASN 25 H ASN 25 2.139 1.063 12.697 182 HA ASN 25 HA ASN 25 2.660 -1.536 11.700 183 HB2 ASN 25 HB2 ASN 25 2.181 -2.894 13.640 184 HB3 ASN 25 HB3 ASN 25 3.530 -1.837 14.026 185 HD21 ASN 25 HD21 ASN 25 3.281 -0.250 15.559 186 HD22 ASN 25 HD22 ASN 25 1.897 -0.158 16.592 187 H ASP 26 H ASP 26 0.682 -2.941 11.948 188 HA ASP 26 HA ASP 26 -1.842 -1.901 12.557 189 HB2 ASP 26 HB2 ASP 26 -1.061 -0.583 10.392 190 HB3 ASP 26 HB3 ASP 26 -1.498 -2.080 9.576 191 H ASN 27 H ASN 27 -3.285 -3.374 10.547 192 HA ASN 27 HA ASN 27 -2.587 -6.057 11.433 193 HB2 ASN 27 HB2 ASN 27 -4.770 -6.699 10.330 194 HB3 ASN 27 HB3 ASN 27 -4.893 -5.598 11.691 195 HD21 ASN 27 HD21 ASN 27 -3.887 -4.566 8.484 196 HD22 ASN 27 HD22 ASN 27 -5.311 -3.653 8.143 197 H CYS 28 H CYS 28 -3.508 -7.651 9.388 198 HA CYS 28 HA CYS 28 -1.223 -7.376 7.595 199 HG CYS 28 HG CYS 28 -0.904 -11.094 9.233 200 HB2 CYS 28 HB2 CYS 28 -3.114 -9.705 7.987 201 HB3 CYS 28 HB3 CYS 28 -1.636 -9.724 7.030 202 H THR 29 H THR 29 -4.647 -7.071 7.552 203 HA THR 29 HA THR 29 -4.869 -7.362 4.680 204 HB THR 29 HB THR 29 -6.931 -6.369 6.662 205 HG1 THR 29 HG1 THR 29 -6.438 -8.481 7.184 206 HG21 THR 29 HG21 THR 29 -8.553 -6.952 4.927 207 HG22 THR 29 HG22 THR 29 -7.241 -7.432 3.850 208 HG23 THR 29 HG23 THR 29 -7.412 -5.745 4.337 209 H SER 30 H SER 30 -4.649 -5.758 3.246 210 HA SER 30 HA SER 30 -4.250 -3.049 4.279 211 HG SER 30 HG SER 30 -2.264 -2.016 2.621 212 HB2 SER 30 HB2 SER 30 -2.522 -4.118 2.778 213 HB3 SER 30 HB3 SER 30 -3.719 -4.087 1.485 214 H LYS 31 H LYS 31 -6.151 -2.041 4.460 215 HA LYS 31 HA LYS 31 -7.962 -2.146 2.161 216 HB2 LYS 31 HB2 LYS 31 -8.491 -1.617 5.068 217 HB3 LYS 31 HB3 LYS 31 -9.633 -1.130 3.823 218 HG2 LYS 31 HG2 LYS 31 -9.603 -3.534 3.040 219 HG3 LYS 31 HG3 LYS 31 -8.744 -3.908 4.537 220 HD2 LYS 31 HD2 LYS 31 -11.379 -2.459 4.468 221 HD3 LYS 31 HD3 LYS 31 -11.244 -4.210 4.585 222 HE2 LYS 31 HE2 LYS 31 -10.071 -4.045 6.669 223 HE3 LYS 31 HE3 LYS 31 -9.957 -2.293 6.515 224 HZ1 LYS 31 HZ1 LYS 31 -11.723 -3.098 8.058 225 HZ2 LYS 31 HZ2 LYS 31 -12.539 -3.747 6.720 226 HZ3 LYS 31 HZ3 LYS 31 -12.283 -2.073 6.827 227 H PHE 32 H PHE 32 -8.860 -0.297 1.355 228 HA PHE 32 HA PHE 32 -7.936 2.295 2.264 229 HD1 PHE 32 HD1 PHE 32 -6.039 3.947 1.801 230 HD2 PHE 32 HD2 PHE 32 -7.536 2.944 -2.055 231 HE1 PHE 32 HE1 PHE 32 -5.686 6.266 1.068 232 HE2 PHE 32 HE2 PHE 32 -7.187 5.265 -2.795 233 HZ PHE 32 HZ PHE 32 -6.264 6.925 -1.234 234 HB2 PHE 32 HB2 PHE 32 -6.094 1.522 0.801 235 HB3 PHE 32 HB3 PHE 32 -7.245 1.278 -0.506 236 H SER 33 H SER 33 -9.591 3.663 2.083 237 HA SER 33 HA SER 33 -11.651 3.113 0.045 238 HG SER 33 HG SER 33 -12.953 1.647 2.020 239 HB2 SER 33 HB2 SER 33 -12.151 4.222 2.819 240 HB3 SER 33 HB3 SER 33 -13.362 3.732 1.632 241 H ARG 34 H ARG 34 -11.497 4.711 -1.429 242 HA ARG 34 HA ARG 34 -11.139 7.457 -0.422 243 HE ARG 34 HE ARG 34 -8.717 9.719 -4.904 244 HB2 ARG 34 HB2 ARG 34 -9.026 6.791 -1.356 245 HB3 ARG 34 HB3 ARG 34 -9.803 6.188 -2.814 246 HG2 ARG 34 HG2 ARG 34 -10.378 8.407 -3.502 247 HG3 ARG 34 HG3 ARG 34 -9.835 9.079 -1.963 248 HD2 ARG 34 HD2 ARG 34 -7.563 8.544 -2.454 249 HD3 ARG 34 HD3 ARG 34 -8.031 7.615 -3.878 250 HH11 ARG 34 HH11 ARG 34 -6.705 9.974 -2.043 251 HH12 ARG 34 HH12 ARG 34 -5.998 11.490 -2.523 252 HH21 ARG 34 HH21 ARG 34 -7.853 11.732 -5.498 253 HH22 ARG 34 HH22 ARG 34 -6.677 12.509 -4.471 254 H PHE 35 H PHE 35 -12.240 9.064 -1.443 255 HA PHE 35 HA PHE 35 -14.502 8.289 -3.064 256 HD1 PHE 35 HD2 PHE 35 -16.626 9.094 -1.475 257 HD2 PHE 35 HD1 PHE 35 -13.157 11.065 0.001 258 HE1 PHE 35 HE2 PHE 35 -17.435 8.784 0.827 259 HE2 PHE 35 HE1 PHE 35 -13.959 10.760 2.308 260 HZ PHE 35 HZ PHE 35 -16.102 9.619 2.722 261 HB2 PHE 35 HB2 PHE 35 -13.601 11.072 -2.281 262 HB3 PHE 35 HB3 PHE 35 -15.181 10.614 -2.902 263 H PHE 36 H PHE 36 -14.664 8.487 -5.202 264 HA PHE 36 HA PHE 36 -12.562 9.989 -6.613 265 HD1 PHE 36 HD2 PHE 36 -10.597 8.655 -8.301 266 HD2 PHE 36 HD1 PHE 36 -12.821 6.095 -5.735 267 HE1 PHE 36 HE2 PHE 36 -8.511 7.568 -7.588 268 HE2 PHE 36 HE1 PHE 36 -10.738 5.004 -5.015 269 HZ PHE 36 HZ PHE 36 -8.580 5.741 -5.942 270 HB2 PHE 36 HB2 PHE 36 -13.922 7.411 -7.394 271 HB3 PHE 36 HB3 PHE 36 -13.014 8.392 -8.540 272 H ALA 37 H ALA 37 -13.226 10.938 -8.648 273 HA ALA 37 HA ALA 37 -15.618 12.410 -8.387 274 HB1 ALA 37 HB1 ALA 37 -15.052 13.363 -10.551 275 HB2 ALA 37 HB2 ALA 37 -13.860 12.091 -10.815 276 HB3 ALA 37 HB3 ALA 37 -13.620 13.269 -9.526 277 H THR 38 H THR 38 -14.684 9.811 -10.631 278 HA THR 38 HA THR 38 -17.553 9.343 -11.106 279 HB THR 38 HB THR 38 -16.922 8.501 -13.379 280 HG1 THR 38 HG1 THR 38 -14.713 9.661 -13.926 281 HG21 THR 38 HG21 THR 38 -16.614 10.729 -14.398 282 HG22 THR 38 HG22 THR 38 -16.253 11.394 -12.805 283 HG23 THR 38 HG23 THR 38 -17.855 10.737 -13.146 284 H ARG 39 H ARG 39 -18.085 7.091 -11.629 285 HA ARG 39 HA ARG 39 -16.796 5.234 -9.947 286 HE ARG 39 HE ARG 39 -18.912 0.686 -12.380 287 HB2 ARG 39 HB2 ARG 39 -19.058 4.808 -10.375 288 HB3 ARG 39 HB3 ARG 39 -18.871 4.971 -12.107 289 HG2 ARG 39 HG2 ARG 39 -17.699 2.853 -12.210 290 HG3 ARG 39 HG3 ARG 39 -17.770 2.710 -10.452 291 HD2 ARG 39 HD2 ARG 39 -20.186 2.588 -10.524 292 HD3 ARG 39 HD3 ARG 39 -20.176 2.861 -12.267 293 HH11 ARG 39 HH11 ARG 39 -21.174 1.403 -9.785 294 HH12 ARG 39 HH12 ARG 39 -21.543 -0.278 -9.492 295 HH21 ARG 39 HH21 ARG 39 -19.408 -1.508 -11.978 296 HH22 ARG 39 HH22 ARG 39 -20.557 -1.916 -10.740 297 H GLU 40 H GLU 40 -16.298 6.153 -13.245 298 HA GLU 40 HA GLU 40 -14.710 4.042 -14.167 299 HB2 GLU 40 HB2 GLU 40 -14.508 7.004 -14.731 300 HB3 GLU 40 HB3 GLU 40 -13.699 5.748 -15.653 301 HG2 GLU 40 HG2 GLU 40 -15.824 4.840 -16.341 302 HG3 GLU 40 HG3 GLU 40 -16.676 6.021 -15.349 303 H GLU 41 H GLU 41 -13.831 7.024 -12.503 304 HA GLU 41 HA GLU 41 -11.096 6.736 -12.286 305 HB2 GLU 41 HB2 GLU 41 -13.136 7.960 -10.441 306 HB3 GLU 41 HB3 GLU 41 -11.420 8.028 -10.080 307 HG2 GLU 41 HG2 GLU 41 -12.648 9.071 -12.614 308 HG3 GLU 41 HG3 GLU 41 -12.349 10.052 -11.179 309 H ALA 42 H ALA 42 -13.617 5.121 -10.501 310 HA ALA 42 HA ALA 42 -11.911 4.214 -8.380 311 HB1 ALA 42 HB1 ALA 42 -14.673 3.309 -9.172 312 HB2 ALA 42 HB2 ALA 42 -14.286 4.570 -8.001 313 HB3 ALA 42 HB3 ALA 42 -13.840 2.897 -7.671 314 H GLU 43 H GLU 43 -13.503 2.586 -11.126 315 HA GLU 43 HA GLU 43 -12.320 0.067 -10.602 316 HB2 GLU 43 HB2 GLU 43 -13.077 -0.490 -12.927 317 HB3 GLU 43 HB3 GLU 43 -14.335 0.109 -11.857 318 HG2 GLU 43 HG2 GLU 43 -14.126 2.330 -12.886 319 HG3 GLU 43 HG3 GLU 43 -12.910 1.686 -13.988 320 H SER 44 H SER 44 -11.327 2.809 -12.556 321 HA SER 44 HA SER 44 -9.207 1.479 -13.897 322 HG SER 44 HG SER 44 -11.231 4.025 -14.449 323 HB2 SER 44 HB2 SER 44 -9.476 4.428 -13.264 324 HB3 SER 44 HB3 SER 44 -8.443 3.711 -14.502 325 H PHE 45 H PHE 45 -9.535 3.008 -10.777 326 HA PHE 45 HA PHE 45 -6.754 3.154 -10.173 327 HD1 PHE 45 HD2 PHE 45 -5.943 4.938 -8.469 328 HD2 PHE 45 HD1 PHE 45 -8.473 2.346 -6.236 329 HE1 PHE 45 HE2 PHE 45 -4.430 5.131 -6.539 330 HE2 PHE 45 HE1 PHE 45 -6.966 2.535 -4.301 331 HZ PHE 45 HZ PHE 45 -4.940 3.928 -4.451 332 HB2 PHE 45 HB2 PHE 45 -8.450 4.519 -9.005 333 HB3 PHE 45 HB3 PHE 45 -9.151 3.058 -8.321 334 H MET 46 H MET 46 -9.318 0.820 -9.549 335 HA MET 46 HA MET 46 -7.875 -0.939 -7.904 336 HB2 MET 46 HB2 MET 46 -10.316 -0.993 -8.115 337 HB3 MET 46 HB3 MET 46 -10.171 -1.521 -9.785 338 HG2 MET 46 HG2 MET 46 -10.735 -3.355 -8.266 339 HG3 MET 46 HG3 MET 46 -9.192 -3.611 -9.079 340 HE1 MET 46 HE1 MET 46 -9.468 -2.126 -4.719 341 HE2 MET 46 HE2 MET 46 -10.900 -2.475 -5.689 342 HE3 MET 46 HE3 MET 46 -9.839 -1.138 -6.132 343 H THR 47 H THR 47 -7.782 -0.444 -11.320 344 HA THR 47 HA THR 47 -6.919 -2.947 -12.220 345 HB THR 47 HB THR 47 -6.032 -0.279 -13.331 346 HG1 THR 47 HG1 THR 47 -8.501 -1.156 -13.055 347 HG21 THR 47 HG21 THR 47 -4.852 -2.212 -14.258 348 HG22 THR 47 HG22 THR 47 -5.932 -1.502 -15.459 349 HG23 THR 47 HG23 THR 47 -6.392 -2.986 -14.626 350 H LYS 48 H LYS 48 -4.976 -0.141 -11.136 351 HA LYS 48 HA LYS 48 -2.512 -1.518 -11.518 352 HB2 LYS 48 HB2 LYS 48 -1.449 0.360 -10.387 353 HB3 LYS 48 HB3 LYS 48 -2.572 0.908 -11.622 354 HG2 LYS 48 HG2 LYS 48 -4.058 1.752 -10.090 355 HG3 LYS 48 HG3 LYS 48 -3.477 0.704 -8.792 356 HD2 LYS 48 HD2 LYS 48 -2.745 2.938 -8.351 357 HD3 LYS 48 HD3 LYS 48 -1.343 1.978 -8.797 358 HE2 LYS 48 HE2 LYS 48 -1.071 4.003 -9.946 359 HE3 LYS 48 HE3 LYS 48 -1.683 2.877 -11.156 360 HZ1 LYS 48 HZ1 LYS 48 -3.360 4.822 -9.663 361 HZ2 LYS 48 HZ2 LYS 48 -3.863 3.827 -10.947 362 HZ3 LYS 48 HZ3 LYS 48 -2.754 5.078 -11.223 363 H LEU 49 H LEU 49 -4.744 -1.202 -8.879 364 HA LEU 49 HA LEU 49 -3.139 -2.009 -6.729 365 HG LEU 49 HG LEU 49 -6.431 -0.744 -5.511 366 HB2 LEU 49 HB2 LEU 49 -6.064 -2.151 -7.344 367 HB3 LEU 49 HB3 LEU 49 -5.460 -3.044 -5.965 368 HD11 LEU 49 HD11 LEU 49 -4.745 -0.210 -3.832 369 HD12 LEU 49 HD12 LEU 49 -3.618 -1.318 -4.615 370 HD13 LEU 49 HD13 LEU 49 -5.098 -1.937 -3.882 371 HD21 LEU 49 HD21 LEU 49 -5.447 0.483 -7.350 372 HD22 LEU 49 HD22 LEU 49 -3.826 0.120 -6.760 373 HD23 LEU 49 HD23 LEU 49 -4.894 1.157 -5.816 374 H LYS 50 H LYS 50 -5.002 -3.912 -9.057 375 HA LYS 50 HA LYS 50 -4.492 -6.451 -8.001 376 HB2 LYS 50 HB2 LYS 50 -5.487 -5.335 -10.505 377 HB3 LYS 50 HB3 LYS 50 -4.606 -6.832 -10.743 378 HG2 LYS 50 HG2 LYS 50 -6.903 -7.367 -10.489 379 HG3 LYS 50 HG3 LYS 50 -6.075 -7.882 -9.020 380 HD2 LYS 50 HD2 LYS 50 -6.837 -5.888 -7.864 381 HD3 LYS 50 HD3 LYS 50 -7.609 -5.306 -9.341 382 HE2 LYS 50 HE2 LYS 50 -8.316 -7.802 -7.808 383 HE3 LYS 50 HE3 LYS 50 -9.248 -6.309 -7.857 384 HZ1 LYS 50 HZ1 LYS 50 -8.729 -8.148 -10.132 385 HZ2 LYS 50 HZ2 LYS 50 -9.519 -6.654 -10.272 386 HZ3 LYS 50 HZ3 LYS 50 -10.208 -7.897 -9.349 387 H GLU 51 H GLU 51 -2.720 -4.614 -10.469 388 HA GLU 51 HA GLU 51 -0.816 -6.668 -10.962 389 HB2 GLU 51 HB2 GLU 51 -0.558 -3.715 -11.546 390 HB3 GLU 51 HB3 GLU 51 0.354 -5.018 -12.294 391 HG2 GLU 51 HG2 GLU 51 -1.779 -5.912 -13.193 392 HG3 GLU 51 HG3 GLU 51 -2.588 -4.477 -12.571 393 H LEU 52 H LEU 52 -0.885 -3.853 -8.871 394 HA LEU 52 HA LEU 52 1.816 -3.943 -8.069 395 HG LEU 52 HG LEU 52 0.140 -1.551 -8.735 396 HB2 LEU 52 HB2 LEU 52 -0.646 -2.795 -6.782 397 HB3 LEU 52 HB3 LEU 52 0.936 -2.664 -6.043 398 HD11 LEU 52 HD11 LEU 52 0.781 -0.165 -6.136 399 HD12 LEU 52 HD12 LEU 52 -0.820 -0.324 -6.856 400 HD13 LEU 52 HD13 LEU 52 0.424 0.624 -7.672 401 HD21 LEU 52 HD21 LEU 52 2.754 -1.374 -7.239 402 HD22 LEU 52 HD22 LEU 52 2.357 -0.488 -8.711 403 HD23 LEU 52 HD23 LEU 52 2.466 -2.249 -8.744 404 H ALA 53 H ALA 53 -1.074 -5.555 -6.849 405 HA ALA 53 HA ALA 53 0.122 -6.722 -4.564 406 HB1 ALA 53 HB1 ALA 53 -2.188 -7.744 -6.222 407 HB2 ALA 53 HB2 ALA 53 -2.305 -6.610 -4.879 408 HB3 ALA 53 HB3 ALA 53 -1.773 -8.265 -4.588 409 H ALA 54 H ALA 54 -0.123 -7.700 -7.926 410 HA ALA 54 HA ALA 54 1.020 -10.272 -7.642 411 HB1 ALA 54 HB1 ALA 54 0.984 -8.492 -10.072 412 HB2 ALA 54 HB2 ALA 54 -0.309 -9.592 -9.594 413 HB3 ALA 54 HB3 ALA 54 1.271 -10.231 -10.053 414 H ALA 55 H ALA 55 2.372 -7.070 -7.981 415 HA ALA 55 HA ALA 55 5.040 -8.015 -8.508 416 HB1 ALA 55 HB1 ALA 55 5.692 -5.682 -8.341 417 HB2 ALA 55 HB2 ALA 55 4.104 -5.264 -7.696 418 HB3 ALA 55 HB3 ALA 55 4.257 -5.847 -9.354 419 H ALA 56 H ALA 56 3.170 -7.046 -5.713 420 HA ALA 56 HA ALA 56 5.434 -6.840 -3.956 421 HB1 ALA 56 HB1 ALA 56 3.806 -6.441 -2.205 422 HB2 ALA 56 HB2 ALA 56 2.499 -6.952 -3.273 423 HB3 ALA 56 HB3 ALA 56 3.409 -5.485 -3.634 424 H SER 57 H SER 57 2.672 -9.103 -4.123 425 HA SER 57 HA SER 57 4.166 -10.923 -2.371 426 HG SER 57 HG SER 57 2.835 -10.394 -0.651 427 HB2 SER 57 HB2 SER 57 1.227 -10.628 -2.968 428 HB3 SER 57 HB3 SER 57 1.875 -12.010 -2.090 429 H SER 58 H SER 58 3.690 -10.506 -5.561 430 HA SER 58 HA SER 58 3.839 -11.771 -7.427 431 HG SER 58 HG SER 58 6.618 -13.530 -6.665 432 HB2 SER 58 HB2 SER 58 4.470 -14.040 -5.523 433 HB3 SER 58 HB3 SER 58 4.638 -14.112 -7.278 434 H ALA 59 H ALA 59 2.296 -13.738 -4.922 435 HA ALA 59 HA ALA 59 0.181 -14.478 -4.639 436 HB1 ALA 59 HB1 ALA 59 -1.664 -13.520 -5.869 437 HB2 ALA 59 HB2 ALA 59 -0.550 -12.828 -7.048 438 HB3 ALA 59 HB3 ALA 59 -0.537 -12.255 -5.380 439 H ASP 60 H ASP 60 0.851 -14.375 -8.130 440 HA ASP 60 HA ASP 60 0.552 -15.869 -9.804 441 HB2 ASP 60 HB2 ASP 60 2.178 -17.227 -8.567 442 HB3 ASP 60 HB3 ASP 60 0.878 -17.929 -7.609 443 H GLU 61 H GLU 61 -0.967 -17.894 -7.347 444 HA GLU 61 HA GLU 61 -3.352 -18.215 -8.861 445 HB2 GLU 61 HB2 GLU 61 -2.428 -19.891 -7.247 446 HB3 GLU 61 HB3 GLU 61 -2.877 -18.812 -5.935 447 HG2 GLU 61 HG2 GLU 61 -5.180 -19.082 -6.380 448 HG3 GLU 61 HG3 GLU 61 -4.857 -19.893 -7.912 449 H GLY 62 H GLY 62 -2.352 -16.189 -6.163 450 HA2 GLY 62 HA2 GLY 62 -3.280 -13.882 -6.434 451 HA3 GLY 62 HA3 GLY 62 -4.850 -14.659 -6.544 452 H ALA 63 H ALA 63 -3.034 -12.881 -4.564 453 HA ALA 63 HA ALA 63 -3.607 -14.064 -2.032 454 HB1 ALA 63 HB1 ALA 63 -3.085 -11.878 -1.109 455 HB2 ALA 63 HB2 ALA 63 -3.166 -11.156 -2.716 456 HB3 ALA 63 HB3 ALA 63 -1.892 -12.314 -2.334 457 H SER 64 H SER 64 -5.224 -13.252 -0.516 458 HA SER 64 HA SER 64 -7.800 -13.287 -1.580 459 HG SER 64 HG SER 64 -7.766 -14.604 1.446 460 HB2 SER 64 HB2 SER 64 -6.965 -12.194 1.115 461 HB3 SER 64 HB3 SER 64 -8.558 -12.807 0.671 462 H VAL 65 H VAL 65 -8.577 -11.780 -2.909 463 HA VAL 65 HA VAL 65 -8.101 -8.967 -2.212 464 HB VAL 65 HB VAL 65 -6.901 -9.431 -4.234 465 HG11 VAL 65 HG11 VAL 65 -7.978 -10.301 -6.253 466 HG12 VAL 65 HG12 VAL 65 -9.475 -10.531 -5.352 467 HG13 VAL 65 HG13 VAL 65 -8.038 -11.463 -4.928 468 HG21 VAL 65 HG21 VAL 65 -8.069 -7.285 -4.138 469 HG22 VAL 65 HG22 VAL 65 -9.476 -8.013 -4.914 470 HG23 VAL 65 HG23 VAL 65 -7.954 -7.879 -5.795 471 H ALA 66 H ALA 66 -9.808 -7.872 -1.671 472 HA ALA 66 HA ALA 66 -12.393 -8.524 -2.923 473 HB1 ALA 66 HB1 ALA 66 -11.935 -7.542 -0.101 474 HB2 ALA 66 HB2 ALA 66 -12.433 -9.169 -0.565 475 HB3 ALA 66 HB3 ALA 66 -13.506 -7.800 -0.858 476 H TYR 67 H TYR 67 -13.538 -6.784 -3.722 477 HA TYR 67 HA TYR 67 -12.490 -4.115 -3.215 478 HD1 TYR 67 HD2 TYR 67 -11.460 -7.079 -5.922 479 HD2 TYR 67 HD1 TYR 67 -14.418 -4.228 -7.040 480 HE1 TYR 67 HE2 TYR 67 -12.287 -8.616 -7.651 481 HE2 TYR 67 HE1 TYR 67 -15.249 -5.761 -8.775 482 HH TYR 67 HH TYR 67 -14.298 -9.041 -8.935 483 HB2 TYR 67 HB2 TYR 67 -12.525 -3.588 -5.649 484 HB3 TYR 67 HB3 TYR 67 -11.292 -4.759 -5.202 485 H LYS 68 H LYS 68 -13.977 -2.537 -3.246 486 HA LYS 68 HA LYS 68 -16.684 -3.222 -4.168 487 HB2 LYS 68 HB2 LYS 68 -15.913 -1.769 -1.636 488 HB3 LYS 68 HB3 LYS 68 -17.538 -1.751 -2.308 489 HG2 LYS 68 HG2 LYS 68 -17.759 -4.106 -2.007 490 HG3 LYS 68 HG3 LYS 68 -16.070 -4.244 -1.536 491 HD2 LYS 68 HD2 LYS 68 -16.534 -2.801 0.418 492 HD3 LYS 68 HD3 LYS 68 -18.234 -2.766 -0.045 493 HE2 LYS 68 HE2 LYS 68 -18.336 -5.205 0.209 494 HE3 LYS 68 HE3 LYS 68 -16.645 -5.212 0.712 495 HZ1 LYS 68 HZ1 LYS 68 -18.050 -5.266 2.636 496 HZ2 LYS 68 HZ2 LYS 68 -18.902 -3.891 2.123 497 HZ3 LYS 68 HZ3 LYS 68 -17.273 -3.761 2.581 498 H ILE 69 H ILE 69 -17.716 -1.711 -5.258 499 HA ILE 69 HA ILE 69 -16.525 0.974 -5.446 500 HB ILE 69 HB ILE 69 -17.862 -0.522 -7.721 501 HG12 ILE 69 HG12 ILE 69 -14.955 0.255 -7.365 502 HG13 ILE 69 HG13 ILE 69 -15.595 -1.379 -7.205 503 HG21 ILE 69 HG21 ILE 69 -18.281 1.872 -7.794 504 HG22 ILE 69 HG22 ILE 69 -17.178 1.402 -9.087 505 HG23 ILE 69 HG23 ILE 69 -16.555 2.198 -7.642 506 HD11 ILE 69 HD11 ILE 69 -15.624 0.286 -9.713 507 HD12 ILE 69 HD12 ILE 69 -16.246 -1.357 -9.553 508 HD13 ILE 69 HD13 ILE 69 -14.521 -1.043 -9.360 509 H LYS 70 H LYS 70 -17.916 2.157 -4.251 510 HA LYS 70 HA LYS 70 -20.752 1.477 -4.391 511 HB2 LYS 70 HB2 LYS 70 -19.778 1.660 -2.160 512 HB3 LYS 70 HB3 LYS 70 -19.288 3.314 -2.499 513 HG2 LYS 70 HG2 LYS 70 -21.500 4.089 -2.500 514 HG3 LYS 70 HG3 LYS 70 -22.156 2.456 -2.619 515 HD2 LYS 70 HD2 LYS 70 -20.614 3.498 -0.248 516 HD3 LYS 70 HD3 LYS 70 -22.375 3.486 -0.359 517 HE2 LYS 70 HE2 LYS 70 -22.251 1.012 -0.722 518 HE3 LYS 70 HE3 LYS 70 -20.524 1.107 -0.373 519 HZ1 LYS 70 HZ1 LYS 70 -20.995 1.883 1.825 520 HZ2 LYS 70 HZ2 LYS 70 -21.908 0.476 1.565 521 HZ3 LYS 70 HZ3 LYS 70 -22.654 1.996 1.492 522 H ASP 71 H ASP 71 -22.066 2.542 -5.593 523 HA ASP 71 HA ASP 71 -21.273 4.922 -7.013 524 HB2 ASP 71 HB2 ASP 71 -23.976 3.556 -6.940 525 HB3 ASP 71 HB3 ASP 71 -23.411 4.710 -8.132 526 H LEU 72 H LEU 72 -21.145 6.626 -5.565 527 HA LEU 72 HA LEU 72 -23.399 7.118 -3.780 528 HG LEU 72 HG LEU 72 -20.479 6.331 -3.092 529 HB2 LEU 72 HB2 LEU 72 -20.780 8.594 -4.072 530 HB3 LEU 72 HB3 LEU 72 -22.001 8.925 -2.859 531 HD11 LEU 72 HD11 LEU 72 -19.282 7.080 -1.095 532 HD12 LEU 72 HD12 LEU 72 -20.122 8.629 -1.173 533 HD13 LEU 72 HD13 LEU 72 -19.003 8.165 -2.456 534 HD21 LEU 72 HD21 LEU 72 -22.668 6.048 -2.086 535 HD22 LEU 72 HD22 LEU 72 -22.354 7.382 -0.978 536 HD23 LEU 72 HD23 LEU 72 -21.410 5.897 -0.860 537 H GLU 73 H GLU 73 -23.679 9.724 -3.602 538 HA GLU 73 HA GLU 73 -24.810 10.403 -6.181 539 HB2 GLU 73 HB2 GLU 73 -25.015 11.761 -3.489 540 HB3 GLU 73 HB3 GLU 73 -25.816 12.331 -4.945 541 HG2 GLU 73 HG2 GLU 73 -27.508 11.157 -3.986 542 HG3 GLU 73 HG3 GLU 73 -26.789 9.895 -4.985 543 H GLY 74 H GLY 74 -23.325 11.132 -7.565 544 HA2 GLY 74 HA2 GLY 74 -22.243 13.019 -8.503 545 HA3 GLY 74 HA3 GLY 74 -21.986 13.649 -6.881 546 H GLN 75 H GLN 75 -21.019 10.990 -5.982 547 HA GLN 75 HA GLN 75 -18.427 10.840 -7.348 548 HB2 GLN 75 HB2 GLN 75 -17.310 10.795 -5.095 549 HB3 GLN 75 HB3 GLN 75 -17.981 12.356 -5.544 550 HG2 GLN 75 HG2 GLN 75 -19.913 11.954 -4.126 551 HG3 GLN 75 HG3 GLN 75 -19.281 10.366 -3.693 552 HE21 GLN 75 HE21 GLN 75 -19.280 10.951 -1.493 553 HE22 GLN 75 HE22 GLN 75 -18.076 12.009 -0.843 554 H VAL 76 H VAL 76 -17.139 8.961 -6.140 555 HA VAL 76 HA VAL 76 -18.987 6.849 -5.283 556 HB VAL 76 HB VAL 76 -17.730 5.162 -6.590 557 HG11 VAL 76 HG11 VAL 76 -19.020 7.332 -8.236 558 HG12 VAL 76 HG12 VAL 76 -19.829 5.965 -7.469 559 HG13 VAL 76 HG13 VAL 76 -18.696 5.690 -8.792 560 HG21 VAL 76 HG21 VAL 76 -15.646 6.387 -6.871 561 HG22 VAL 76 HG22 VAL 76 -16.457 7.545 -7.925 562 HG23 VAL 76 HG23 VAL 76 -16.285 5.864 -8.428 563 H GLU 77 H GLU 77 -17.922 5.152 -4.047 564 HA GLU 77 HA GLU 77 -15.318 6.020 -2.990 565 HB2 GLU 77 HB2 GLU 77 -17.149 6.181 -1.320 566 HB3 GLU 77 HB3 GLU 77 -17.435 4.456 -1.505 567 HG2 GLU 77 HG2 GLU 77 -15.271 3.935 -0.623 568 HG3 GLU 77 HG3 GLU 77 -14.818 5.638 -0.602 569 H LEU 78 H LEU 78 -13.704 4.745 -3.382 570 HA LEU 78 HA LEU 78 -14.202 2.046 -4.393 571 HG LEU 78 HG LEU 78 -11.081 2.306 -6.422 572 HB2 LEU 78 HB2 LEU 78 -12.811 3.691 -5.680 573 HB3 LEU 78 HB3 LEU 78 -11.655 3.679 -4.369 574 HD11 LEU 78 HD11 LEU 78 -9.893 2.018 -4.328 575 HD12 LEU 78 HD12 LEU 78 -10.127 0.461 -5.122 576 HD13 LEU 78 HD13 LEU 78 -11.139 0.913 -3.750 577 HD21 LEU 78 HD21 LEU 78 -13.273 1.334 -6.815 578 HD22 LEU 78 HD22 LEU 78 -13.191 0.487 -5.270 579 HD23 LEU 78 HD23 LEU 78 -12.068 0.069 -6.564 580 H ASP 79 H ASP 79 -14.021 0.404 -3.052 581 HA ASP 79 HA ASP 79 -12.311 0.675 -0.670 582 HB2 ASP 79 HB2 ASP 79 -14.729 -1.032 -1.235 583 HB3 ASP 79 HB3 ASP 79 -13.626 -1.403 0.086 584 H ALA 80 H ALA 80 -10.395 -0.232 -0.897 585 HA ALA 80 HA ALA 80 -10.184 -2.733 -2.440 586 HB1 ALA 80 HB1 ALA 80 -8.768 -0.918 -3.274 587 HB2 ALA 80 HB2 ALA 80 -7.793 -2.240 -2.635 588 HB3 ALA 80 HB3 ALA 80 -8.014 -0.771 -1.687 589 H ALA 81 H ALA 81 -9.782 -4.562 -1.366 590 HA ALA 81 HA ALA 81 -8.559 -4.393 1.304 591 HB1 ALA 81 HB1 ALA 81 -10.938 -6.106 0.588 592 HB2 ALA 81 HB2 ALA 81 -10.971 -4.661 1.599 593 HB3 ALA 81 HB3 ALA 81 -10.098 -6.096 2.138 594 H PHE 82 H PHE 82 -6.616 -5.267 0.894 595 HA PHE 82 HA PHE 82 -6.539 -7.840 -0.551 596 HD1 PHE 82 HD1 PHE 82 -6.109 -4.213 -1.408 597 HD2 PHE 82 HD2 PHE 82 -4.511 -7.742 -3.162 598 HE1 PHE 82 HE1 PHE 82 -6.768 -3.401 -3.635 599 HE2 PHE 82 HE2 PHE 82 -5.168 -6.940 -5.390 600 HZ PHE 82 HZ PHE 82 -6.297 -4.766 -5.634 601 HB2 PHE 82 HB2 PHE 82 -4.431 -5.696 -0.240 602 HB3 PHE 82 HB3 PHE 82 -4.101 -7.288 -0.915 603 H THR 83 H THR 83 -5.839 -9.611 0.512 604 HA THR 83 HA THR 83 -4.745 -9.202 3.219 605 HB THR 83 HB THR 83 -6.004 -11.731 2.141 606 HG1 THR 83 HG1 THR 83 -7.117 -9.430 3.296 607 HG21 THR 83 HG21 THR 83 -6.192 -12.318 4.517 608 HG22 THR 83 HG22 THR 83 -5.393 -10.806 4.952 609 HG23 THR 83 HG23 THR 83 -4.511 -12.043 4.056 610 H PHE 84 H PHE 84 -2.599 -9.344 3.218 611 HA PHE 84 HA PHE 84 -1.285 -11.141 1.307 612 HD1 PHE 84 HD1 PHE 84 -0.242 -9.761 -0.615 613 HD2 PHE 84 HD2 PHE 84 -1.062 -6.924 2.455 614 HE1 PHE 84 HE1 PHE 84 -0.904 -8.114 -2.317 615 HE2 PHE 84 HE2 PHE 84 -1.726 -5.273 0.756 616 HZ PHE 84 HZ PHE 84 -1.645 -5.868 -1.633 617 HB2 PHE 84 HB2 PHE 84 -0.093 -8.945 3.019 618 HB3 PHE 84 HB3 PHE 84 0.754 -9.875 1.787 619 H SER 85 H SER 85 0.842 -12.086 2.216 620 HA SER 85 HA SER 85 0.096 -13.664 4.530 621 HG SER 85 HG SER 85 1.364 -14.685 1.360 622 HB2 SER 85 HB2 SER 85 2.596 -13.858 2.834 623 HB3 SER 85 HB3 SER 85 1.968 -15.077 3.944 624 H CYS 86 H CYS 86 2.699 -11.463 3.554 625 HA CYS 86 HA CYS 86 3.519 -11.305 6.380 626 HG CYS 86 HG CYS 86 5.186 -13.058 3.284 627 HB2 CYS 86 HB2 CYS 86 5.140 -10.526 3.951 628 HB3 CYS 86 HB3 CYS 86 5.712 -10.685 5.610 629 H GLN 87 H GLN 87 3.799 -9.271 7.334 630 HA GLN 87 HA GLN 87 2.082 -7.232 6.347 631 HB2 GLN 87 HB2 GLN 87 2.336 -7.484 8.723 632 HB3 GLN 87 HB3 GLN 87 4.075 -7.242 8.615 633 HG2 GLN 87 HG2 GLN 87 3.873 -4.967 8.267 634 HG3 GLN 87 HG3 GLN 87 2.210 -5.093 7.696 635 HE21 GLN 87 HE21 GLN 87 0.549 -5.288 9.201 636 HE22 GLN 87 HE22 GLN 87 0.765 -4.931 10.877 637 H ALA 88 H ALA 88 5.493 -7.861 6.153 638 HA ALA 88 HA ALA 88 6.448 -5.390 5.302 639 HB1 ALA 88 HB1 ALA 88 8.266 -6.609 4.251 640 HB2 ALA 88 HB2 ALA 88 7.342 -8.108 4.338 641 HB3 ALA 88 HB3 ALA 88 7.884 -7.318 5.818 642 H GLU 89 H GLU 89 4.738 -7.900 3.540 643 HA GLU 89 HA GLU 89 5.036 -6.690 0.960 644 HB2 GLU 89 HB2 GLU 89 2.916 -8.659 1.849 645 HB3 GLU 89 HB3 GLU 89 3.469 -8.361 0.208 646 HG2 GLU 89 HG2 GLU 89 5.632 -9.304 0.731 647 HG3 GLU 89 HG3 GLU 89 5.143 -9.543 2.409 648 H MET 90 H MET 90 2.726 -6.538 3.570 649 HA MET 90 HA MET 90 0.640 -5.259 2.144 650 HB2 MET 90 HB2 MET 90 0.444 -6.490 4.350 651 HB3 MET 90 HB3 MET 90 1.176 -5.090 5.114 652 HG2 MET 90 HG2 MET 90 -1.341 -4.896 3.487 653 HG3 MET 90 HG3 MET 90 -1.353 -5.290 5.202 654 HE1 MET 90 HE1 MET 90 -0.641 -3.639 7.116 655 HE2 MET 90 HE2 MET 90 0.069 -2.049 6.832 656 HE3 MET 90 HE3 MET 90 0.963 -3.505 6.393 657 H ILE 91 H ILE 91 3.211 -4.024 4.272 658 HA ILE 91 HA ILE 91 2.385 -1.336 4.101 659 HB ILE 91 HB ILE 91 4.707 -0.820 4.944 660 HG12 ILE 91 HG12 ILE 91 4.905 -3.823 5.187 661 HG13 ILE 91 HG13 ILE 91 5.752 -2.884 3.970 662 HG21 ILE 91 HG21 ILE 91 4.250 -1.752 7.170 663 HG22 ILE 91 HG22 ILE 91 3.023 -2.803 6.463 664 HG23 ILE 91 HG23 ILE 91 2.810 -1.052 6.430 665 HD11 ILE 91 HD11 ILE 91 6.968 -1.701 5.709 666 HD12 ILE 91 HD12 ILE 91 7.194 -3.445 5.850 667 HD13 ILE 91 HD13 ILE 91 6.092 -2.605 6.943 668 H ILE 92 H ILE 92 4.910 -3.135 2.297 669 HA ILE 92 HA ILE 92 5.814 -0.904 0.831 670 HB ILE 92 HB ILE 92 6.745 -2.511 -0.784 671 HG12 ILE 92 HG12 ILE 92 5.382 -4.633 0.881 672 HG13 ILE 92 HG13 ILE 92 4.888 -4.142 -0.736 673 HG21 ILE 92 HG21 ILE 92 8.006 -1.992 1.212 674 HG22 ILE 92 HG22 ILE 92 8.242 -3.684 0.774 675 HG23 ILE 92 HG23 ILE 92 7.162 -3.260 2.101 676 HD11 ILE 92 HD11 ILE 92 7.516 -5.407 0.003 677 HD12 ILE 92 HD12 ILE 92 7.037 -4.904 -1.618 678 HD13 ILE 92 HD13 ILE 92 6.161 -6.199 -0.801 679 H PHE 93 H PHE 93 3.108 -3.038 0.441 680 HA PHE 93 HA PHE 93 2.479 -2.433 -2.240 681 HD1 PHE 93 HD1 PHE 93 0.852 -4.220 -3.581 682 HD2 PHE 93 HD2 PHE 93 -1.400 -2.665 -0.315 683 HE1 PHE 93 HE1 PHE 93 -1.167 -4.193 -4.985 684 HE2 PHE 93 HE2 PHE 93 -3.421 -2.638 -1.718 685 HZ PHE 93 HZ PHE 93 -3.304 -3.405 -4.054 686 HB2 PHE 93 HB2 PHE 93 1.591 -4.411 -1.165 687 HB3 PHE 93 HB3 PHE 93 0.768 -3.434 0.043 688 H GLU 94 H GLU 94 1.185 -1.154 0.836 689 HA GLU 94 HA GLU 94 -0.570 0.630 -0.541 690 HB2 GLU 94 HB2 GLU 94 -1.210 1.450 1.637 691 HB3 GLU 94 HB3 GLU 94 -1.143 -0.302 1.653 692 HG2 GLU 94 HG2 GLU 94 0.014 -0.089 3.528 693 HG3 GLU 94 HG3 GLU 94 1.364 0.420 2.511 694 H LEU 95 H LEU 95 2.654 0.882 0.760 695 HA LEU 95 HA LEU 95 2.840 3.709 0.622 696 HG LEU 95 HG LEU 95 3.850 1.887 2.769 697 HB2 LEU 95 HB2 LEU 95 4.932 1.540 0.573 698 HB3 LEU 95 HB3 LEU 95 5.338 3.244 0.516 699 HD11 LEU 95 HD11 LEU 95 5.899 2.245 4.054 700 HD12 LEU 95 HD12 LEU 95 6.696 2.866 2.609 701 HD13 LEU 95 HD13 LEU 95 6.175 1.183 2.673 702 HD21 LEU 95 HD21 LEU 95 4.198 4.007 3.959 703 HD22 LEU 95 HD22 LEU 95 3.198 4.216 2.521 704 HD23 LEU 95 HD23 LEU 95 4.892 4.706 2.495 705 H SER 96 H SER 96 3.530 1.118 -1.687 706 HA SER 96 HA SER 96 4.642 2.794 -3.680 707 HG SER 96 HG SER 96 5.078 -0.242 -2.733 708 HB2 SER 96 HB2 SER 96 3.322 0.086 -3.959 709 HB3 SER 96 HB3 SER 96 4.303 0.876 -5.194 710 H LEU 97 H LEU 97 1.386 2.097 -2.744 711 HA LEU 97 HA LEU 97 -0.032 2.626 -5.068 712 HG LEU 97 HG LEU 97 -0.517 0.970 -2.420 713 HB2 LEU 97 HB2 LEU 97 -0.755 3.389 -2.239 714 HB3 LEU 97 HB3 LEU 97 -1.868 3.402 -3.592 715 HD11 LEU 97 HD11 LEU 97 -2.785 0.333 -1.775 716 HD12 LEU 97 HD12 LEU 97 -3.398 1.857 -2.418 717 HD13 LEU 97 HD13 LEU 97 -2.306 1.859 -1.032 718 HD21 LEU 97 HD21 LEU 97 -0.769 0.747 -4.834 719 HD22 LEU 97 HD22 LEU 97 -2.471 1.190 -4.708 720 HD23 LEU 97 HD23 LEU 97 -1.895 -0.311 -3.985 721 H ARG 98 H ARG 98 0.991 4.968 -2.579 722 HA ARG 98 HA ARG 98 0.081 7.160 -4.178 723 HE ARG 98 HE ARG 98 0.553 7.533 0.934 724 HB2 ARG 98 HB2 ARG 98 1.267 8.591 -2.446 725 HB3 ARG 98 HB3 ARG 98 -0.087 7.617 -1.894 726 HG2 ARG 98 HG2 ARG 98 2.638 6.470 -1.685 727 HG3 ARG 98 HG3 ARG 98 2.169 7.748 -0.558 728 HD2 ARG 98 HD2 ARG 98 0.217 5.576 -0.986 729 HD3 ARG 98 HD3 ARG 98 1.689 5.151 -0.129 730 HH11 ARG 98 HH11 ARG 98 0.135 4.054 0.915 731 HH12 ARG 98 HH12 ARG 98 -0.615 4.005 2.486 732 HH21 ARG 98 HH21 ARG 98 -0.462 7.484 2.959 733 HH22 ARG 98 HH22 ARG 98 -0.992 5.968 3.631 734 H SER 99 H SER 99 3.169 5.606 -3.575 735 HA SER 99 HA SER 99 4.745 7.736 -4.623 736 HG SER 99 HG SER 99 6.851 6.201 -5.595 737 HB2 SER 99 HB2 SER 99 5.671 6.134 -3.021 738 HB3 SER 99 HB3 SER 99 5.464 4.828 -4.189 739 H LEU 100 H LEU 100 2.847 5.376 -6.142 740 HA LEU 100 HA LEU 100 4.436 5.101 -8.509 741 HG LEU 100 HG LEU 100 2.291 4.370 -10.528 742 HB2 LEU 100 HB2 LEU 100 2.694 3.476 -7.669 743 HB3 LEU 100 HB3 LEU 100 1.480 4.605 -8.226 744 HD11 LEU 100 HD11 LEU 100 4.637 3.890 -10.016 745 HD12 LEU 100 HD12 LEU 100 3.945 2.684 -11.100 746 HD13 LEU 100 HD13 LEU 100 4.175 2.306 -9.392 747 HD21 LEU 100 HD21 LEU 100 0.513 2.904 -9.729 748 HD22 LEU 100 HD22 LEU 100 1.714 1.734 -9.183 749 HD23 LEU 100 HD23 LEU 100 1.536 2.077 -10.905 750 H ALA 101 H ALA 101 1.466 6.873 -7.699 751 HA ALA 101 HA ALA 101 1.467 8.319 -10.180 752 HB1 ALA 101 HB1 ALA 101 -0.423 9.530 -9.245 753 HB2 ALA 101 HB2 ALA 101 -0.103 8.836 -7.655 754 HB3 ALA 101 HB3 ALA 101 -0.615 7.796 -8.984 755 H LEU 102 H LEU 102 2.560 8.839 -6.904 756 HA LEU 102 HA LEU 102 3.417 11.554 -7.576 757 HG LEU 102 HG LEU 102 1.978 12.593 -5.900 758 HB2 LEU 102 HB2 LEU 102 3.294 10.051 -4.975 759 HB3 LEU 102 HB3 LEU 102 4.160 11.564 -5.128 760 HD11 LEU 102 HD11 LEU 102 -0.077 11.463 -5.231 761 HD12 LEU 102 HD12 LEU 102 0.854 10.034 -4.785 762 HD13 LEU 102 HD13 LEU 102 0.789 10.554 -6.470 763 HD21 LEU 102 HD21 LEU 102 1.151 12.859 -3.620 764 HD22 LEU 102 HD22 LEU 102 2.912 12.958 -3.682 765 HD23 LEU 102 HD23 LEU 102 2.130 11.485 -3.103 766 H GLU 103 H GLU 103 4.916 10.592 -9.122 767 HA GLU 103 HA GLU 103 7.174 9.103 -8.341 768 HB2 GLU 103 HB2 GLU 103 6.917 11.082 -10.620 769 HB3 GLU 103 HB3 GLU 103 8.171 9.859 -10.456 770 HG2 GLU 103 HG2 GLU 103 6.435 8.112 -10.566 771 HG3 GLU 103 HG3 GLU 103 5.226 9.367 -10.828 772 H HIS 104 H HIS 104 6.436 12.514 -8.313 773 HA HIS 104 HA HIS 104 9.046 13.242 -7.301 774 HD1 HIS 104 HD1 HIS 104 6.573 16.871 -6.109 775 HD2 HIS 104 HD2 HIS 104 10.372 15.689 -7.319 776 HE1 HIS 104 HE1 HIS 104 8.163 18.552 -5.106 777 HE2 HIS 104 HE2 HIS 104 10.433 17.912 -6.003 778 HB2 HIS 104 HB2 HIS 104 7.791 14.837 -8.712 779 HB3 HIS 104 HB3 HIS 104 6.494 14.866 -7.523 780 H HIS 105 H HIS 105 9.451 12.408 -5.343 781 HA HIS 105 HA HIS 105 7.451 11.828 -3.426 782 HD1 HIS 105 HD1 HIS 105 10.356 9.213 -1.556 783 HD2 HIS 105 HD2 HIS 105 8.137 9.800 -5.030 784 HE1 HIS 105 HE1 HIS 105 9.753 6.911 -2.376 785 HE2 HIS 105 HE2 HIS 105 8.235 7.303 -4.348 786 HB2 HIS 105 HB2 HIS 105 10.441 11.779 -3.423 787 HB3 HIS 105 HB3 HIS 105 9.579 11.639 -1.896 788 H HIS 106 H HIS 106 6.921 12.797 -1.521 789 HA HIS 106 HA HIS 106 7.720 15.608 -1.221 790 HD1 HIS 106 HD1 HIS 106 3.397 16.419 -0.491 791 HD2 HIS 106 HD2 HIS 106 6.167 15.328 -3.410 792 HE1 HIS 106 HE1 HIS 106 2.493 17.312 -2.666 793 HE2 HIS 106 HE2 HIS 106 4.096 16.501 -4.431 794 HB2 HIS 106 HB2 HIS 106 5.330 14.051 -0.226 795 HB3 HIS 106 HB3 HIS 106 5.744 15.635 0.415 796 H HIS 107 H HIS 107 8.622 16.337 0.684 797 HA HIS 107 HA HIS 107 9.280 14.265 2.675 798 HD1 HIS 107 HD1 HIS 107 12.882 14.029 3.300 799 HD2 HIS 107 HD2 HIS 107 10.957 14.011 -0.386 800 HE1 HIS 107 HE1 HIS 107 13.885 12.113 2.023 801 HE2 HIS 107 HE2 HIS 107 12.805 12.197 -0.251 802 HB2 HIS 107 HB2 HIS 107 10.970 16.402 1.437 803 HB3 HIS 107 HB3 HIS 107 11.309 15.900 3.091 804 H HIS 108 H HIS 108 6.953 15.729 2.861 805 HA HIS 108 HA HIS 108 7.238 16.951 5.422 806 HD1 HIS 108 HD1 HIS 108 4.753 20.356 4.048 807 HD2 HIS 108 HD2 HIS 108 7.697 19.399 6.829 808 HE1 HIS 108 HE1 HIS 108 4.287 21.797 6.056 809 HE2 HIS 108 HE2 HIS 108 6.171 21.317 7.658 810 HB2 HIS 108 HB2 HIS 108 7.986 18.809 3.926 811 HB3 HIS 108 HB3 HIS 108 6.414 18.762 3.139 812 H HIS 109 H HIS 109 4.985 17.643 2.775 813 HA HIS 109 HA HIS 109 3.071 15.695 3.309 814 HD1 HIS 109 HD1 HIS 109 -0.158 18.527 4.233 815 HD2 HIS 109 HD2 HIS 109 1.054 14.630 5.055 816 HE1 HIS 109 HE1 HIS 109 -2.277 17.187 4.465 817 HE2 HIS 109 HE2 HIS 109 -1.518 14.895 5.181 818 HB2 HIS 109 HB2 HIS 109 2.849 16.963 5.479 819 HB3 HIS 109 HB3 HIS 109 2.311 18.355 4.545 Start of MODEL 18 1 HA MET 1 HA MET 1 44.582 27.986 -20.451 2 H1 MET 1 H1 MET 1 45.847 28.219 -17.787 3 H2 MET 1 H2 MET 1 45.005 29.445 -18.605 4 H3 MET 1 H3 MET 1 46.464 28.848 -19.235 5 HB2 MET 1 HB2 MET 1 46.539 26.574 -20.330 6 HB3 MET 1 HB3 MET 1 46.071 25.984 -18.740 7 HG2 MET 1 HG2 MET 1 45.612 24.319 -20.426 8 HG3 MET 1 HG3 MET 1 44.106 24.907 -19.724 9 HE1 MET 1 HE1 MET 1 42.880 24.237 -23.324 10 HE2 MET 1 HE2 MET 1 42.529 24.078 -21.603 11 HE3 MET 1 HE3 MET 1 43.920 23.248 -22.300 12 H ALA 2 H ALA 2 42.469 27.971 -20.239 13 HA ALA 2 HA ALA 2 41.099 27.536 -17.802 14 HB1 ALA 2 HB1 ALA 2 39.067 27.577 -19.136 15 HB2 ALA 2 HB2 ALA 2 40.011 27.387 -20.614 16 HB3 ALA 2 HB3 ALA 2 40.163 28.859 -19.652 17 H MET 3 H MET 3 40.949 25.680 -16.769 18 HA MET 3 HA MET 3 41.327 23.163 -18.140 19 HB2 MET 3 HB2 MET 3 40.654 23.703 -15.236 20 HB3 MET 3 HB3 MET 3 41.204 22.170 -15.904 21 HG2 MET 3 HG2 MET 3 43.344 23.160 -16.474 22 HG3 MET 3 HG3 MET 3 42.796 24.725 -15.879 23 HE1 MET 3 HE1 MET 3 44.020 21.139 -14.978 24 HE2 MET 3 HE2 MET 3 42.346 21.073 -14.427 25 HE3 MET 3 HE3 MET 3 43.662 21.031 -13.254 26 H LYS 4 H LYS 4 39.678 22.400 -19.289 27 HA LYS 4 HA LYS 4 36.972 23.151 -18.549 28 HB2 LYS 4 HB2 LYS 4 38.017 21.701 -20.982 29 HB3 LYS 4 HB3 LYS 4 36.351 22.217 -20.747 30 HG2 LYS 4 HG2 LYS 4 37.048 24.539 -20.689 31 HG3 LYS 4 HG3 LYS 4 38.736 24.054 -20.850 32 HD2 LYS 4 HD2 LYS 4 38.224 23.062 -23.042 33 HD3 LYS 4 HD3 LYS 4 36.548 23.593 -22.877 34 HE2 LYS 4 HE2 LYS 4 37.256 25.911 -22.818 35 HE3 LYS 4 HE3 LYS 4 38.948 25.420 -22.882 36 HZ1 LYS 4 HZ1 LYS 4 38.184 26.107 -25.049 37 HZ2 LYS 4 HZ2 LYS 4 36.913 24.984 -25.008 38 HZ3 LYS 4 HZ3 LYS 4 38.521 24.446 -25.066 39 H ASP 5 H ASP 5 37.425 21.676 -16.592 40 HA ASP 5 HA ASP 5 36.245 19.047 -17.234 41 HB2 ASP 5 HB2 ASP 5 37.120 18.208 -15.160 42 HB3 ASP 5 HB3 ASP 5 38.440 19.027 -15.989 43 H VAL 6 H VAL 6 35.400 22.013 -16.524 44 HA VAL 6 HA VAL 6 33.834 21.907 -14.199 45 HB VAL 6 HB VAL 6 32.716 23.947 -15.115 46 HG11 VAL 6 HG11 VAL 6 35.728 23.903 -15.274 47 HG12 VAL 6 HG12 VAL 6 34.760 24.146 -13.820 48 HG13 VAL 6 HG13 VAL 6 34.730 25.349 -15.109 49 HG21 VAL 6 HG21 VAL 6 32.753 23.371 -17.483 50 HG22 VAL 6 HG22 VAL 6 34.516 23.449 -17.488 51 HG23 VAL 6 HG23 VAL 6 33.567 24.910 -17.208 52 H VAL 7 H VAL 7 31.896 21.112 -13.789 53 HA VAL 7 HA VAL 7 29.982 20.715 -15.944 54 HB VAL 7 HB VAL 7 31.191 18.581 -15.787 55 HG11 VAL 7 HG11 VAL 7 31.894 18.678 -13.462 56 HG12 VAL 7 HG12 VAL 7 31.027 17.178 -13.791 57 HG13 VAL 7 HG13 VAL 7 30.221 18.493 -12.935 58 HG21 VAL 7 HG21 VAL 7 29.252 17.110 -15.509 59 HG22 VAL 7 HG22 VAL 7 28.842 18.559 -16.428 60 HG23 VAL 7 HG23 VAL 7 28.369 18.425 -14.734 61 H ASP 8 H ASP 8 27.890 21.004 -15.288 62 HA ASP 8 HA ASP 8 27.404 21.254 -12.396 63 HB2 ASP 8 HB2 ASP 8 27.670 23.488 -13.737 64 HB3 ASP 8 HB3 ASP 8 26.062 23.110 -14.344 65 H LYS 9 H LYS 9 24.638 21.963 -12.731 66 HA LYS 9 HA LYS 9 22.610 20.957 -12.928 67 HB2 LYS 9 HB2 LYS 9 23.050 21.032 -15.340 68 HB3 LYS 9 HB3 LYS 9 23.951 19.528 -15.239 69 HG2 LYS 9 HG2 LYS 9 21.836 18.418 -14.496 70 HG3 LYS 9 HG3 LYS 9 20.998 19.928 -14.866 71 HD2 LYS 9 HD2 LYS 9 20.769 18.523 -16.771 72 HD3 LYS 9 HD3 LYS 9 21.938 19.774 -17.186 73 HE2 LYS 9 HE2 LYS 9 22.683 17.000 -16.259 74 HE3 LYS 9 HE3 LYS 9 22.556 17.470 -17.950 75 HZ1 LYS 9 HZ1 LYS 9 24.846 17.552 -17.218 76 HZ2 LYS 9 HZ2 LYS 9 24.447 18.609 -15.957 77 HZ3 LYS 9 HZ3 LYS 9 24.307 19.125 -17.564 78 H CYS 10 H CYS 10 23.687 20.116 -10.847 79 HA CYS 10 HA CYS 10 23.596 17.172 -10.893 80 HG CYS 10 HG CYS 10 25.960 15.533 -10.100 81 HB2 CYS 10 HB2 CYS 10 25.949 18.146 -10.719 82 HB3 CYS 10 HB3 CYS 10 25.473 18.762 -9.141 83 H SER 11 H SER 11 21.601 19.238 -10.262 84 HA SER 11 HA SER 11 21.004 18.298 -7.538 85 HG SER 11 HG SER 11 19.842 19.758 -6.158 86 HB2 SER 11 HB2 SER 11 21.521 20.746 -7.565 87 HB3 SER 11 HB3 SER 11 20.189 20.978 -8.698 88 H THR 12 H THR 12 19.958 16.529 -8.511 89 HA THR 12 HA THR 12 17.507 17.183 -10.008 90 HB THR 12 HB THR 12 18.998 14.579 -10.266 91 HG1 THR 12 HG1 THR 12 19.374 16.947 -11.830 92 HG21 THR 12 HG21 THR 12 17.855 14.498 -12.434 93 HG22 THR 12 HG22 THR 12 17.114 16.064 -12.102 94 HG23 THR 12 HG23 THR 12 16.704 14.667 -11.108 95 H LYS 13 H LYS 13 15.645 16.221 -9.366 96 HA LYS 13 HA LYS 13 14.160 14.893 -8.285 97 HB2 LYS 13 HB2 LYS 13 16.562 13.153 -7.697 98 HB3 LYS 13 HB3 LYS 13 14.885 12.679 -7.488 99 HG2 LYS 13 HG2 LYS 13 16.076 13.460 -10.143 100 HG3 LYS 13 HG3 LYS 13 16.001 11.802 -9.549 101 HD2 LYS 13 HD2 LYS 13 14.135 12.060 -10.970 102 HD3 LYS 13 HD3 LYS 13 13.501 12.135 -9.328 103 HE2 LYS 13 HE2 LYS 13 13.490 14.598 -9.477 104 HE3 LYS 13 HE3 LYS 13 14.052 14.478 -11.143 105 HZ1 LYS 13 HZ1 LYS 13 11.633 14.801 -10.946 106 HZ2 LYS 13 HZ2 LYS 13 11.508 13.306 -10.148 107 HZ3 LYS 13 HZ3 LYS 13 12.042 13.369 -11.756 108 H GLY 14 H GLY 14 14.519 13.353 -5.912 109 HA2 GLY 14 HA2 GLY 14 15.382 13.834 -3.637 110 HA3 GLY 14 HA3 GLY 14 15.054 15.528 -3.976 111 H CYS 15 H CYS 15 12.815 13.206 -5.154 112 HA CYS 15 HA CYS 15 10.823 14.202 -3.269 113 HG CYS 15 HG CYS 15 8.076 11.909 -5.025 114 HB2 CYS 15 HB2 CYS 15 10.301 14.249 -5.686 115 HB3 CYS 15 HB3 CYS 15 10.480 12.501 -5.749 116 H ALA 16 H ALA 16 11.340 13.079 -1.417 117 HA ALA 16 HA ALA 16 10.786 10.198 -1.517 118 HB1 ALA 16 HB1 ALA 16 12.565 9.777 0.102 119 HB2 ALA 16 HB2 ALA 16 13.011 11.482 0.067 120 HB3 ALA 16 HB3 ALA 16 13.210 10.490 -1.377 121 H ILE 17 H ILE 17 9.125 9.738 -0.270 122 HA ILE 17 HA ILE 17 8.715 11.320 2.179 123 HB ILE 17 HB ILE 17 6.279 10.844 1.953 124 HG12 ILE 17 HG12 ILE 17 7.053 9.910 -0.819 125 HG13 ILE 17 HG13 ILE 17 6.468 8.876 0.479 126 HG21 ILE 17 HG21 ILE 17 5.853 12.525 0.221 127 HG22 ILE 17 HG22 ILE 17 7.521 12.369 -0.332 128 HG23 ILE 17 HG23 ILE 17 7.182 12.998 1.280 129 HD11 ILE 17 HD11 ILE 17 4.922 11.082 -0.868 130 HD12 ILE 17 HD12 ILE 17 4.333 10.065 0.446 131 HD13 ILE 17 HD13 ILE 17 4.712 9.349 -1.120 132 H ASP 18 H ASP 18 7.717 10.159 3.948 133 HA ASP 18 HA ASP 18 8.258 7.269 3.820 134 HB2 ASP 18 HB2 ASP 18 9.895 8.298 5.240 135 HB3 ASP 18 HB3 ASP 18 8.661 9.214 6.096 136 H ILE 19 H ILE 19 6.639 5.943 4.312 137 HA ILE 19 HA ILE 19 4.026 6.915 4.841 138 HB ILE 19 HB ILE 19 5.137 4.110 5.084 139 HG12 ILE 19 HG12 ILE 19 5.250 4.908 2.808 140 HG13 ILE 19 HG13 ILE 19 3.920 3.764 2.938 141 HG21 ILE 19 HG21 ILE 19 3.152 4.313 6.459 142 HG22 ILE 19 HG22 ILE 19 2.801 3.353 5.021 143 HG23 ILE 19 HG23 ILE 19 2.267 5.031 5.111 144 HD11 ILE 19 HD11 ILE 19 3.308 5.666 1.569 145 HD12 ILE 19 HD12 ILE 19 3.672 6.763 2.902 146 HD13 ILE 19 HD13 ILE 19 2.336 5.618 3.039 147 H GLY 20 H GLY 20 6.635 5.736 6.841 148 HA2 GLY 20 HA2 GLY 20 6.957 6.082 9.112 149 HA3 GLY 20 HA3 GLY 20 5.344 6.781 9.207 150 H THR 21 H THR 21 6.998 3.692 8.706 151 HA THR 21 HA THR 21 4.702 2.157 9.518 152 HB THR 21 HB THR 21 7.502 1.085 9.281 153 HG1 THR 21 HG1 THR 21 7.078 2.304 7.380 154 HG21 THR 21 HG21 THR 21 4.778 -0.095 8.711 155 HG22 THR 21 HG22 THR 21 5.786 -0.443 10.115 156 HG23 THR 21 HG23 THR 21 6.319 -0.933 8.508 157 H VAL 22 H VAL 22 5.107 3.842 11.512 158 HA VAL 22 HA VAL 22 6.356 2.258 13.652 159 HB VAL 22 HB VAL 22 7.196 4.616 13.280 160 HG11 VAL 22 HG11 VAL 22 5.138 5.712 12.705 161 HG12 VAL 22 HG12 VAL 22 5.813 6.462 14.153 162 HG13 VAL 22 HG13 VAL 22 4.456 5.342 14.289 163 HG21 VAL 22 HG21 VAL 22 7.551 3.478 15.399 164 HG22 VAL 22 HG22 VAL 22 5.980 4.035 15.979 165 HG23 VAL 22 HG23 VAL 22 7.266 5.199 15.654 166 H ILE 23 H ILE 23 3.649 2.384 12.211 167 HA ILE 23 HA ILE 23 1.808 2.833 14.425 168 HB ILE 23 HB ILE 23 1.240 3.708 12.181 169 HG12 ILE 23 HG12 ILE 23 -0.624 1.500 13.085 170 HG13 ILE 23 HG13 ILE 23 -0.563 3.123 13.766 171 HG21 ILE 23 HG21 ILE 23 2.318 1.992 10.837 172 HG22 ILE 23 HG22 ILE 23 0.630 2.194 10.371 173 HG23 ILE 23 HG23 ILE 23 1.113 0.813 11.356 174 HD11 ILE 23 HD11 ILE 23 -1.311 2.425 10.935 175 HD12 ILE 23 HD12 ILE 23 -1.254 4.050 11.619 176 HD13 ILE 23 HD13 ILE 23 -2.424 2.878 12.227 177 H ASP 24 H ASP 24 0.226 1.150 14.979 178 HA ASP 24 HA ASP 24 1.423 -1.294 15.596 179 HB2 ASP 24 HB2 ASP 24 -1.403 -0.312 15.639 180 HB3 ASP 24 HB3 ASP 24 -1.078 -2.024 15.912 181 H ASN 25 H ASN 25 2.022 -2.832 14.315 182 HA ASN 25 HA ASN 25 0.900 -3.245 11.708 183 HB2 ASN 25 HB2 ASN 25 2.601 -4.936 11.435 184 HB3 ASN 25 HB3 ASN 25 3.310 -3.525 12.197 185 HD21 ASN 25 HD21 ASN 25 2.124 -4.307 14.863 186 HD22 ASN 25 HD22 ASN 25 3.136 -5.594 15.406 187 H ASP 26 H ASP 26 -1.227 -3.494 13.017 188 HA ASP 26 HA ASP 26 -1.771 -5.792 14.508 189 HB2 ASP 26 HB2 ASP 26 -3.186 -3.798 14.577 190 HB3 ASP 26 HB3 ASP 26 -3.702 -4.097 12.919 191 H ASN 27 H ASN 27 -3.021 -5.163 11.207 192 HA ASN 27 HA ASN 27 -3.195 -8.079 10.902 193 HB2 ASN 27 HB2 ASN 27 -5.033 -7.595 9.257 194 HB3 ASN 27 HB3 ASN 27 -5.401 -7.192 10.925 195 HD21 ASN 27 HD21 ASN 27 -3.340 -5.151 8.945 196 HD22 ASN 27 HD22 ASN 27 -4.475 -3.855 8.793 197 H CYS 28 H CYS 28 -3.320 -8.733 8.533 198 HA CYS 28 HA CYS 28 -1.078 -7.472 7.110 199 HG CYS 28 HG CYS 28 -0.276 -11.539 7.873 200 HB2 CYS 28 HB2 CYS 28 -2.337 -10.197 6.699 201 HB3 CYS 28 HB3 CYS 28 -0.896 -9.593 5.887 202 H THR 29 H THR 29 -4.249 -7.148 7.207 203 HA THR 29 HA THR 29 -4.740 -7.153 4.332 204 HB THR 29 HB THR 29 -6.659 -6.636 6.613 205 HG1 THR 29 HG1 THR 29 -6.934 -8.944 5.114 206 HG21 THR 29 HG21 THR 29 -8.409 -6.996 4.933 207 HG22 THR 29 HG22 THR 29 -7.176 -7.182 3.685 208 HG23 THR 29 HG23 THR 29 -7.384 -5.630 4.496 209 H SER 30 H SER 30 -4.558 -5.344 3.187 210 HA SER 30 HA SER 30 -4.494 -2.781 4.610 211 HG SER 30 HG SER 30 -2.599 -1.213 2.320 212 HB2 SER 30 HB2 SER 30 -2.582 -3.207 3.121 213 HB3 SER 30 HB3 SER 30 -3.684 -3.433 1.762 214 H LYS 31 H LYS 31 -6.013 -1.255 4.324 215 HA LYS 31 HA LYS 31 -8.224 -1.899 2.496 216 HB2 LYS 31 HB2 LYS 31 -8.107 -0.243 5.012 217 HB3 LYS 31 HB3 LYS 31 -9.466 -0.173 3.904 218 HG2 LYS 31 HG2 LYS 31 -8.530 -2.741 5.133 219 HG3 LYS 31 HG3 LYS 31 -9.703 -1.679 5.909 220 HD2 LYS 31 HD2 LYS 31 -10.163 -2.498 3.083 221 HD3 LYS 31 HD3 LYS 31 -10.476 -3.667 4.366 222 HE2 LYS 31 HE2 LYS 31 -12.517 -2.506 3.856 223 HE3 LYS 31 HE3 LYS 31 -11.966 -2.014 5.453 224 HZ1 LYS 31 HZ1 LYS 31 -11.715 -0.456 2.930 225 HZ2 LYS 31 HZ2 LYS 31 -11.046 0.013 4.421 226 HZ3 LYS 31 HZ3 LYS 31 -12.723 -0.109 4.250 227 H PHE 32 H PHE 32 -8.052 -0.895 0.652 228 HA PHE 32 HA PHE 32 -6.947 1.822 0.578 229 HD1 PHE 32 HD1 PHE 32 -5.106 2.634 -1.274 230 HD2 PHE 32 HD2 PHE 32 -8.476 1.132 -3.401 231 HE1 PHE 32 HE1 PHE 32 -4.887 4.461 -2.906 232 HE2 PHE 32 HE2 PHE 32 -8.261 2.959 -5.037 233 HZ PHE 32 HZ PHE 32 -6.468 4.629 -4.787 234 HB2 PHE 32 HB2 PHE 32 -5.960 0.252 -1.017 235 HB3 PHE 32 HB3 PHE 32 -7.553 -0.130 -1.660 236 H SER 33 H SER 33 -8.341 3.448 0.633 237 HA SER 33 HA SER 33 -10.979 3.079 -0.614 238 HG SER 33 HG SER 33 -11.196 1.813 1.379 239 HB2 SER 33 HB2 SER 33 -10.513 4.434 2.056 240 HB3 SER 33 HB3 SER 33 -12.065 4.209 1.250 241 H ARG 34 H ARG 34 -10.905 4.426 -2.287 242 HA ARG 34 HA ARG 34 -10.036 7.194 -1.786 243 HE ARG 34 HE ARG 34 -7.199 9.865 -3.892 244 HB2 ARG 34 HB2 ARG 34 -8.496 5.467 -3.167 245 HB3 ARG 34 HB3 ARG 34 -9.495 6.068 -4.474 246 HG2 ARG 34 HG2 ARG 34 -7.948 7.853 -2.611 247 HG3 ARG 34 HG3 ARG 34 -7.305 7.243 -4.133 248 HD2 ARG 34 HD2 ARG 34 -9.166 8.324 -5.325 249 HD3 ARG 34 HD3 ARG 34 -9.757 8.961 -3.792 250 HH11 ARG 34 HH11 ARG 34 -9.940 10.084 -6.069 251 HH12 ARG 34 HH12 ARG 34 -9.375 11.545 -6.830 252 HH21 ARG 34 HH21 ARG 34 -6.484 11.789 -4.842 253 HH22 ARG 34 HH22 ARG 34 -7.416 12.526 -6.119 254 H PHE 35 H PHE 35 -11.254 8.727 -2.756 255 HA PHE 35 HA PHE 35 -13.777 7.826 -3.912 256 HD1 PHE 35 HD1 PHE 35 -15.855 8.489 -2.173 257 HD2 PHE 35 HD2 PHE 35 -12.227 10.236 -0.779 258 HE1 PHE 35 HE1 PHE 35 -16.446 7.871 0.134 259 HE2 PHE 35 HE2 PHE 35 -12.816 9.618 1.529 260 HZ PHE 35 HZ PHE 35 -14.925 8.434 1.988 261 HB2 PHE 35 HB2 PHE 35 -12.920 10.584 -3.002 262 HB3 PHE 35 HB3 PHE 35 -14.537 10.139 -3.535 263 H PHE 36 H PHE 36 -14.441 8.317 -5.959 264 HA PHE 36 HA PHE 36 -12.618 9.917 -7.621 265 HD1 PHE 36 HD1 PHE 36 -10.593 8.784 -9.184 266 HD2 PHE 36 HD2 PHE 36 -12.643 5.822 -6.928 267 HE1 PHE 36 HE1 PHE 36 -8.438 7.752 -8.591 268 HE2 PHE 36 HE2 PHE 36 -10.498 4.781 -6.327 269 HZ PHE 36 HZ PHE 36 -8.390 5.745 -7.161 270 HB2 PHE 36 HB2 PHE 36 -13.841 7.250 -8.366 271 HB3 PHE 36 HB3 PHE 36 -13.011 8.316 -9.496 272 H ALA 37 H ALA 37 -13.654 10.596 -9.686 273 HA ALA 37 HA ALA 37 -16.055 11.956 -9.167 274 HB1 ALA 37 HB1 ALA 37 -15.973 12.674 -11.461 275 HB2 ALA 37 HB2 ALA 37 -14.855 11.375 -11.870 276 HB3 ALA 37 HB3 ALA 37 -14.338 12.679 -10.799 277 H THR 38 H THR 38 -15.481 9.220 -11.391 278 HA THR 38 HA THR 38 -18.334 8.544 -11.094 279 HB THR 38 HB THR 38 -18.247 7.550 -13.355 280 HG1 THR 38 HG1 THR 38 -16.252 8.482 -14.572 281 HG21 THR 38 HG21 THR 38 -17.400 10.447 -13.278 282 HG22 THR 38 HG22 THR 38 -19.048 9.842 -13.121 283 HG23 THR 38 HG23 THR 38 -18.178 9.640 -14.641 284 H ARG 39 H ARG 39 -18.830 6.251 -11.238 285 HA ARG 39 HA ARG 39 -17.094 4.596 -9.775 286 HE ARG 39 HE ARG 39 -18.944 -0.257 -11.266 287 HB2 ARG 39 HB2 ARG 39 -19.377 4.009 -9.743 288 HB3 ARG 39 HB3 ARG 39 -19.498 4.017 -11.495 289 HG2 ARG 39 HG2 ARG 39 -18.165 2.011 -11.633 290 HG3 ARG 39 HG3 ARG 39 -17.896 2.037 -9.891 291 HD2 ARG 39 HD2 ARG 39 -20.268 1.689 -9.503 292 HD3 ARG 39 HD3 ARG 39 -20.572 1.717 -11.244 293 HH11 ARG 39 HH11 ARG 39 -21.135 0.448 -8.618 294 HH12 ARG 39 HH12 ARG 39 -21.254 -1.210 -8.110 295 HH21 ARG 39 HH21 ARG 39 -19.082 -2.421 -10.599 296 HH22 ARG 39 HH22 ARG 39 -20.090 -2.854 -9.253 297 H GLU 40 H GLU 40 -17.405 5.231 -13.161 298 HA GLU 40 HA GLU 40 -15.933 3.096 -14.212 299 HB2 GLU 40 HB2 GLU 40 -16.082 5.942 -15.213 300 HB3 GLU 40 HB3 GLU 40 -15.605 4.531 -16.145 301 HG2 GLU 40 HG2 GLU 40 -17.837 3.587 -15.859 302 HG3 GLU 40 HG3 GLU 40 -18.314 5.000 -14.926 303 H GLU 41 H GLU 41 -14.928 6.319 -13.141 304 HA GLU 41 HA GLU 41 -12.177 6.107 -13.565 305 HB2 GLU 41 HB2 GLU 41 -13.722 7.573 -11.419 306 HB3 GLU 41 HB3 GLU 41 -12.004 7.785 -11.689 307 HG2 GLU 41 HG2 GLU 41 -14.147 8.346 -13.717 308 HG3 GLU 41 HG3 GLU 41 -13.370 9.555 -12.698 309 H ALA 42 H ALA 42 -14.222 4.791 -11.091 310 HA ALA 42 HA ALA 42 -12.115 4.289 -9.207 311 HB1 ALA 42 HB1 ALA 42 -14.415 4.712 -8.481 312 HB2 ALA 42 HB2 ALA 42 -13.810 3.168 -7.884 313 HB3 ALA 42 HB3 ALA 42 -14.929 3.210 -9.246 314 H GLU 43 H GLU 43 -14.131 2.190 -11.262 315 HA GLU 43 HA GLU 43 -12.785 -0.186 -10.479 316 HB2 GLU 43 HB2 GLU 43 -14.544 0.323 -12.890 317 HB3 GLU 43 HB3 GLU 43 -14.048 -1.262 -12.304 318 HG2 GLU 43 HG2 GLU 43 -15.176 -0.726 -10.144 319 HG3 GLU 43 HG3 GLU 43 -15.802 0.737 -10.900 320 H SER 44 H SER 44 -12.088 2.236 -12.820 321 HA SER 44 HA SER 44 -10.304 0.611 -14.395 322 HG SER 44 HG SER 44 -12.453 2.953 -15.044 323 HB2 SER 44 HB2 SER 44 -10.550 3.629 -14.253 324 HB3 SER 44 HB3 SER 44 -9.683 2.716 -15.487 325 H PHE 45 H PHE 45 -10.086 2.576 -11.529 326 HA PHE 45 HA PHE 45 -7.235 2.840 -11.606 327 HD1 PHE 45 HD1 PHE 45 -6.662 5.324 -10.954 328 HD2 PHE 45 HD2 PHE 45 -7.331 3.025 -7.439 329 HE1 PHE 45 HE1 PHE 45 -4.667 6.327 -9.925 330 HE2 PHE 45 HE2 PHE 45 -5.334 4.021 -6.404 331 HZ PHE 45 HZ PHE 45 -4.001 5.679 -7.645 332 HB2 PHE 45 HB2 PHE 45 -8.933 4.311 -10.327 333 HB3 PHE 45 HB3 PHE 45 -8.929 3.031 -9.120 334 H MET 46 H MET 46 -9.513 0.486 -10.524 335 HA MET 46 HA MET 46 -7.887 -0.989 -8.752 336 HB2 MET 46 HB2 MET 46 -10.322 -1.262 -8.861 337 HB3 MET 46 HB3 MET 46 -10.187 -1.904 -10.491 338 HG2 MET 46 HG2 MET 46 -10.529 -3.702 -8.941 339 HG3 MET 46 HG3 MET 46 -8.905 -3.808 -9.620 340 HE1 MET 46 HE1 MET 46 -11.058 -2.849 -6.488 341 HE2 MET 46 HE2 MET 46 -10.191 -1.349 -6.820 342 HE3 MET 46 HE3 MET 46 -9.825 -2.272 -5.365 343 H THR 47 H THR 47 -8.115 -0.875 -12.224 344 HA THR 47 HA THR 47 -7.029 -3.334 -12.946 345 HB THR 47 HB THR 47 -6.377 -0.782 -14.404 346 HG1 THR 47 HG1 THR 47 -8.429 -0.565 -15.001 347 HG21 THR 47 HG21 THR 47 -6.716 -2.197 -16.385 348 HG22 THR 47 HG22 THR 47 -7.093 -3.566 -15.339 349 HG23 THR 47 HG23 THR 47 -5.475 -2.863 -15.322 350 H LYS 48 H LYS 48 -5.361 -0.246 -12.371 351 HA LYS 48 HA LYS 48 -2.784 -1.426 -12.706 352 HB2 LYS 48 HB2 LYS 48 -1.881 0.716 -12.000 353 HB3 LYS 48 HB3 LYS 48 -3.118 0.905 -13.233 354 HG2 LYS 48 HG2 LYS 48 -4.734 1.463 -11.439 355 HG3 LYS 48 HG3 LYS 48 -3.392 1.428 -10.292 356 HD2 LYS 48 HD2 LYS 48 -3.751 3.266 -12.649 357 HD3 LYS 48 HD3 LYS 48 -3.721 3.685 -10.941 358 HE2 LYS 48 HE2 LYS 48 -1.399 3.170 -10.769 359 HE3 LYS 48 HE3 LYS 48 -1.384 2.468 -12.386 360 HZ1 LYS 48 HZ1 LYS 48 -1.689 5.327 -11.659 361 HZ2 LYS 48 HZ2 LYS 48 -1.998 4.732 -13.215 362 HZ3 LYS 48 HZ3 LYS 48 -0.442 4.608 -12.557 363 H LEU 49 H LEU 49 -4.915 -0.918 -10.015 364 HA LEU 49 HA LEU 49 -3.093 -1.361 -7.917 365 HG LEU 49 HG LEU 49 -6.134 -0.219 -6.229 366 HB2 LEU 49 HB2 LEU 49 -6.018 -1.480 -8.259 367 HB3 LEU 49 HB3 LEU 49 -5.383 -2.473 -6.963 368 HD11 LEU 49 HD11 LEU 49 -4.159 0.270 -4.875 369 HD12 LEU 49 HD12 LEU 49 -3.193 -0.785 -5.905 370 HD13 LEU 49 HD13 LEU 49 -4.499 -1.459 -4.930 371 HD21 LEU 49 HD21 LEU 49 -5.511 1.063 -8.190 372 HD22 LEU 49 HD22 LEU 49 -3.806 0.722 -7.895 373 HD23 LEU 49 HD23 LEU 49 -4.716 1.715 -6.755 374 H LYS 50 H LYS 50 -4.945 -3.601 -9.945 375 HA LYS 50 HA LYS 50 -4.263 -6.036 -8.821 376 HB2 LYS 50 HB2 LYS 50 -4.313 -5.343 -11.762 377 HB3 LYS 50 HB3 LYS 50 -4.482 -6.952 -11.085 378 HG2 LYS 50 HG2 LYS 50 -6.615 -6.558 -10.318 379 HG3 LYS 50 HG3 LYS 50 -6.401 -4.803 -10.319 380 HD2 LYS 50 HD2 LYS 50 -7.803 -5.355 -12.152 381 HD3 LYS 50 HD3 LYS 50 -6.233 -4.911 -12.805 382 HE2 LYS 50 HE2 LYS 50 -5.707 -7.406 -12.792 383 HE3 LYS 50 HE3 LYS 50 -7.437 -7.649 -12.545 384 HZ1 LYS 50 HZ1 LYS 50 -7.846 -6.398 -14.599 385 HZ2 LYS 50 HZ2 LYS 50 -6.888 -7.771 -14.879 386 HZ3 LYS 50 HZ3 LYS 50 -6.170 -6.238 -14.832 387 H GLU 51 H GLU 51 -2.472 -4.176 -11.255 388 HA GLU 51 HA GLU 51 -0.220 -5.777 -11.524 389 HB2 GLU 51 HB2 GLU 51 -0.412 -2.758 -11.622 390 HB3 GLU 51 HB3 GLU 51 0.943 -3.699 -12.230 391 HG2 GLU 51 HG2 GLU 51 -0.459 -4.723 -13.892 392 HG3 GLU 51 HG3 GLU 51 -1.881 -3.909 -13.241 393 H LEU 52 H LEU 52 -0.729 -3.035 -9.338 394 HA LEU 52 HA LEU 52 1.759 -3.078 -8.072 395 HG LEU 52 HG LEU 52 -0.322 -0.937 -8.987 396 HB2 LEU 52 HB2 LEU 52 -0.905 -2.207 -6.953 397 HB3 LEU 52 HB3 LEU 52 0.656 -1.809 -6.265 398 HD11 LEU 52 HD11 LEU 52 -1.527 0.143 -7.157 399 HD12 LEU 52 HD12 LEU 52 -0.471 1.279 -7.995 400 HD13 LEU 52 HD13 LEU 52 0.005 0.625 -6.428 401 HD21 LEU 52 HD21 LEU 52 2.110 -1.218 -8.889 402 HD22 LEU 52 HD22 LEU 52 2.172 -0.188 -7.459 403 HD23 LEU 52 HD23 LEU 52 1.662 0.483 -9.009 404 H ALA 53 H ALA 53 -1.294 -4.625 -7.092 405 HA ALA 53 HA ALA 53 -0.293 -5.705 -4.683 406 HB1 ALA 53 HB1 ALA 53 -2.288 -7.102 -4.687 407 HB2 ALA 53 HB2 ALA 53 -2.585 -6.691 -6.377 408 HB3 ALA 53 HB3 ALA 53 -2.685 -5.443 -5.136 409 H ALA 54 H ALA 54 -0.586 -7.058 -7.943 410 HA ALA 54 HA ALA 54 0.276 -9.669 -7.307 411 HB1 ALA 54 HB1 ALA 54 -0.924 -9.137 -9.368 412 HB2 ALA 54 HB2 ALA 54 0.605 -9.948 -9.711 413 HB3 ALA 54 HB3 ALA 54 0.459 -8.205 -9.936 414 H ALA 55 H ALA 55 2.003 -6.720 -8.021 415 HA ALA 55 HA ALA 55 4.542 -8.037 -8.375 416 HB1 ALA 55 HB1 ALA 55 3.924 -5.106 -8.015 417 HB2 ALA 55 HB2 ALA 55 4.025 -5.957 -9.557 418 HB3 ALA 55 HB3 ALA 55 5.460 -5.793 -8.545 419 H ALA 56 H ALA 56 2.954 -6.147 -5.842 420 HA ALA 56 HA ALA 56 5.159 -6.019 -4.090 421 HB1 ALA 56 HB1 ALA 56 3.557 -5.335 -2.397 422 HB2 ALA 56 HB2 ALA 56 2.223 -5.890 -3.408 423 HB3 ALA 56 HB3 ALA 56 3.216 -4.527 -3.928 424 H SER 57 H SER 57 2.395 -8.245 -4.220 425 HA SER 57 HA SER 57 3.583 -9.831 -2.093 426 HG SER 57 HG SER 57 0.831 -9.362 -4.311 427 HB2 SER 57 HB2 SER 57 1.511 -11.180 -2.230 428 HB3 SER 57 HB3 SER 57 1.164 -9.464 -1.997 429 H SER 58 H SER 58 4.672 -11.670 -2.399 430 HA SER 58 HA SER 58 5.378 -12.478 -5.057 431 HG SER 58 HG SER 58 6.984 -11.619 -3.682 432 HB2 SER 58 HB2 SER 58 5.943 -13.793 -2.397 433 HB3 SER 58 HB3 SER 58 6.705 -14.218 -3.929 434 H ALA 59 H ALA 59 2.544 -12.824 -3.781 435 HA ALA 59 HA ALA 59 1.976 -15.596 -4.167 436 HB1 ALA 59 HB1 ALA 59 0.559 -14.160 -2.761 437 HB2 ALA 59 HB2 ALA 59 -0.365 -14.927 -4.053 438 HB3 ALA 59 HB3 ALA 59 0.099 -13.231 -4.188 439 H ASP 60 H ASP 60 2.083 -12.731 -6.128 440 HA ASP 60 HA ASP 60 2.198 -12.388 -8.347 441 HB2 ASP 60 HB2 ASP 60 2.375 -15.394 -8.441 442 HB3 ASP 60 HB3 ASP 60 2.444 -14.388 -9.886 443 H GLU 61 H GLU 61 -0.070 -15.076 -7.723 444 HA GLU 61 HA GLU 61 -1.888 -14.358 -9.768 445 HB2 GLU 61 HB2 GLU 61 -2.379 -15.823 -7.168 446 HB3 GLU 61 HB3 GLU 61 -3.537 -15.712 -8.485 447 HG2 GLU 61 HG2 GLU 61 -1.950 -16.885 -9.951 448 HG3 GLU 61 HG3 GLU 61 -0.842 -17.046 -8.587 449 H GLY 62 H GLY 62 -1.397 -13.252 -6.517 450 HA2 GLY 62 HA2 GLY 62 -2.150 -10.838 -6.313 451 HA3 GLY 62 HA3 GLY 62 -3.732 -11.473 -6.746 452 H ALA 63 H ALA 63 -3.429 -10.090 -4.422 453 HA ALA 63 HA ALA 63 -3.221 -12.039 -2.269 454 HB1 ALA 63 HB1 ALA 63 -3.545 -10.129 -0.779 455 HB2 ALA 63 HB2 ALA 63 -3.830 -9.082 -2.170 456 HB3 ALA 63 HB3 ALA 63 -2.246 -9.818 -1.930 457 H SER 64 H SER 64 -5.030 -11.895 -0.569 458 HA SER 64 HA SER 64 -7.532 -12.451 -1.841 459 HG SER 64 HG SER 64 -6.921 -14.330 -0.741 460 HB2 SER 64 HB2 SER 64 -6.786 -12.183 1.080 461 HB3 SER 64 HB3 SER 64 -8.348 -12.748 0.493 462 H VAL 65 H VAL 65 -8.225 -10.604 -2.865 463 HA VAL 65 HA VAL 65 -8.484 -8.188 -1.239 464 HB VAL 65 HB VAL 65 -7.249 -7.768 -3.236 465 HG11 VAL 65 HG11 VAL 65 -7.983 -9.693 -4.551 466 HG12 VAL 65 HG12 VAL 65 -8.108 -8.198 -5.477 467 HG13 VAL 65 HG13 VAL 65 -9.558 -8.932 -4.791 468 HG21 VAL 65 HG21 VAL 65 -10.068 -6.739 -3.558 469 HG22 VAL 65 HG22 VAL 65 -8.637 -6.067 -4.338 470 HG23 VAL 65 HG23 VAL 65 -8.793 -6.008 -2.583 471 H ALA 66 H ALA 66 -10.341 -7.904 -0.305 472 HA ALA 66 HA ALA 66 -12.814 -8.603 -1.718 473 HB1 ALA 66 HB1 ALA 66 -12.613 -9.313 0.638 474 HB2 ALA 66 HB2 ALA 66 -13.947 -8.186 0.396 475 HB3 ALA 66 HB3 ALA 66 -12.439 -7.625 1.118 476 H TYR 67 H TYR 67 -13.120 -7.026 -3.212 477 HA TYR 67 HA TYR 67 -12.718 -4.246 -2.352 478 HD1 TYR 67 HD1 TYR 67 -11.964 -7.369 -4.930 479 HD2 TYR 67 HD2 TYR 67 -13.894 -3.909 -6.481 480 HE1 TYR 67 HE1 TYR 67 -12.801 -8.694 -6.822 481 HE2 TYR 67 HE2 TYR 67 -14.741 -5.226 -8.378 482 HH TYR 67 HH TYR 67 -14.694 -8.600 -8.438 483 HB2 TYR 67 HB2 TYR 67 -12.398 -3.684 -4.692 484 HB3 TYR 67 HB3 TYR 67 -11.316 -4.996 -4.245 485 H LYS 68 H LYS 68 -14.198 -2.653 -2.968 486 HA LYS 68 HA LYS 68 -16.770 -3.525 -4.044 487 HB2 LYS 68 HB2 LYS 68 -18.048 -2.570 -2.263 488 HB3 LYS 68 HB3 LYS 68 -16.884 -3.665 -1.533 489 HG2 LYS 68 HG2 LYS 68 -15.432 -1.678 -1.073 490 HG3 LYS 68 HG3 LYS 68 -16.763 -0.662 -1.617 491 HD2 LYS 68 HD2 LYS 68 -16.869 -0.774 0.763 492 HD3 LYS 68 HD3 LYS 68 -18.197 -1.740 0.121 493 HE2 LYS 68 HE2 LYS 68 -17.478 -3.486 1.281 494 HE3 LYS 68 HE3 LYS 68 -15.962 -3.452 0.381 495 HZ1 LYS 68 HZ1 LYS 68 -15.574 -3.309 2.763 496 HZ2 LYS 68 HZ2 LYS 68 -16.537 -1.920 2.861 497 HZ3 LYS 68 HZ3 LYS 68 -15.076 -1.879 1.993 498 H ILE 69 H ILE 69 -17.909 -1.871 -5.025 499 HA ILE 69 HA ILE 69 -16.574 0.753 -5.143 500 HB ILE 69 HB ILE 69 -18.263 -0.424 -7.363 501 HG12 ILE 69 HG12 ILE 69 -15.916 -0.379 -8.548 502 HG13 ILE 69 HG13 ILE 69 -15.298 -0.508 -6.905 503 HG21 ILE 69 HG21 ILE 69 -17.375 1.430 -8.673 504 HG22 ILE 69 HG22 ILE 69 -16.461 1.990 -7.273 505 HG23 ILE 69 HG23 ILE 69 -18.224 2.012 -7.242 506 HD11 ILE 69 HD11 ILE 69 -16.558 -2.582 -6.601 507 HD12 ILE 69 HD12 ILE 69 -15.446 -2.689 -7.966 508 HD13 ILE 69 HD13 ILE 69 -17.170 -2.448 -8.249 509 H LYS 70 H LYS 70 -17.750 2.142 -3.996 510 HA LYS 70 HA LYS 70 -20.593 1.561 -3.645 511 HB2 LYS 70 HB2 LYS 70 -19.100 1.855 -1.673 512 HB3 LYS 70 HB3 LYS 70 -18.889 3.536 -2.134 513 HG2 LYS 70 HG2 LYS 70 -20.539 3.326 -0.376 514 HG3 LYS 70 HG3 LYS 70 -21.296 3.897 -1.865 515 HD2 LYS 70 HD2 LYS 70 -22.128 1.675 -2.339 516 HD3 LYS 70 HD3 LYS 70 -21.282 1.030 -0.932 517 HE2 LYS 70 HE2 LYS 70 -23.479 3.092 -0.850 518 HE3 LYS 70 HE3 LYS 70 -23.688 1.371 -0.526 519 HZ1 LYS 70 HZ1 LYS 70 -23.473 2.498 1.540 520 HZ2 LYS 70 HZ2 LYS 70 -22.073 3.309 1.041 521 HZ3 LYS 70 HZ3 LYS 70 -22.036 1.630 1.291 522 H ASP 71 H ASP 71 -22.004 2.579 -4.758 523 HA ASP 71 HA ASP 71 -21.399 4.888 -6.344 524 HB2 ASP 71 HB2 ASP 71 -23.977 3.393 -5.807 525 HB3 ASP 71 HB3 ASP 71 -23.840 4.736 -6.927 526 H LEU 72 H LEU 72 -21.160 6.800 -5.301 527 HA LEU 72 HA LEU 72 -22.964 7.388 -3.053 528 HG LEU 72 HG LEU 72 -20.021 6.356 -2.767 529 HB2 LEU 72 HB2 LEU 72 -20.280 8.603 -3.718 530 HB3 LEU 72 HB3 LEU 72 -21.287 9.060 -2.358 531 HD11 LEU 72 HD11 LEU 72 -18.592 6.975 -0.897 532 HD12 LEU 72 HD12 LEU 72 -19.350 8.566 -0.833 533 HD13 LEU 72 HD13 LEU 72 -18.395 8.101 -2.241 534 HD21 LEU 72 HD21 LEU 72 -21.619 7.454 -0.453 535 HD22 LEU 72 HD22 LEU 72 -20.774 5.907 -0.473 536 HD23 LEU 72 HD23 LEU 72 -22.131 6.184 -1.565 537 H GLU 73 H GLU 73 -22.869 9.993 -2.797 538 HA GLU 73 HA GLU 73 -24.378 10.907 -5.114 539 HB2 GLU 73 HB2 GLU 73 -24.034 12.190 -2.398 540 HB3 GLU 73 HB3 GLU 73 -25.203 12.646 -3.630 541 HG2 GLU 73 HG2 GLU 73 -26.419 10.638 -3.349 542 HG3 GLU 73 HG3 GLU 73 -25.146 9.925 -2.360 543 H GLY 74 H GLY 74 -22.990 11.629 -6.638 544 HA2 GLY 74 HA2 GLY 74 -21.909 13.495 -7.589 545 HA3 GLY 74 HA3 GLY 74 -21.508 14.062 -5.975 546 H GLN 75 H GLN 75 -20.737 10.964 -5.776 547 HA GLN 75 HA GLN 75 -18.275 10.874 -7.241 548 HB2 GLN 75 HB2 GLN 75 -16.817 10.743 -5.235 549 HB3 GLN 75 HB3 GLN 75 -17.535 12.334 -5.445 550 HG2 GLN 75 HG2 GLN 75 -19.192 11.823 -3.727 551 HG3 GLN 75 HG3 GLN 75 -18.496 10.215 -3.529 552 HE21 GLN 75 HE21 GLN 75 -18.049 10.610 -1.357 553 HE22 GLN 75 HE22 GLN 75 -16.747 11.636 -0.852 554 H VAL 76 H VAL 76 -16.979 8.858 -6.337 555 HA VAL 76 HA VAL 76 -18.869 6.866 -5.280 556 HB VAL 76 HB VAL 76 -17.854 5.127 -6.703 557 HG11 VAL 76 HG11 VAL 76 -19.035 7.445 -8.227 558 HG12 VAL 76 HG12 VAL 76 -19.931 6.164 -7.407 559 HG13 VAL 76 HG13 VAL 76 -18.931 5.783 -8.809 560 HG21 VAL 76 HG21 VAL 76 -16.467 7.432 -8.066 561 HG22 VAL 76 HG22 VAL 76 -16.475 5.758 -8.621 562 HG23 VAL 76 HG23 VAL 76 -15.693 6.179 -7.097 563 H GLU 77 H GLU 77 -17.941 5.225 -4.039 564 HA GLU 77 HA GLU 77 -15.295 5.925 -2.964 565 HB2 GLU 77 HB2 GLU 77 -17.242 5.937 -1.399 566 HB3 GLU 77 HB3 GLU 77 -17.473 4.225 -1.728 567 HG2 GLU 77 HG2 GLU 77 -15.271 3.747 -0.785 568 HG3 GLU 77 HG3 GLU 77 -15.034 5.466 -0.465 569 H LEU 78 H LEU 78 -13.722 4.734 -3.794 570 HA LEU 78 HA LEU 78 -14.271 1.957 -4.553 571 HG LEU 78 HG LEU 78 -11.548 2.060 -7.073 572 HB2 LEU 78 HB2 LEU 78 -13.101 3.555 -6.144 573 HB3 LEU 78 HB3 LEU 78 -11.750 3.558 -5.033 574 HD11 LEU 78 HD11 LEU 78 -10.443 0.269 -5.863 575 HD12 LEU 78 HD12 LEU 78 -11.262 0.748 -4.375 576 HD13 LEU 78 HD13 LEU 78 -10.089 1.832 -5.123 577 HD21 LEU 78 HD21 LEU 78 -12.632 -0.116 -6.960 578 HD22 LEU 78 HD22 LEU 78 -13.819 1.185 -7.053 579 HD23 LEU 78 HD23 LEU 78 -13.505 0.385 -5.512 580 H ASP 79 H ASP 79 -13.908 0.480 -3.056 581 HA ASP 79 HA ASP 79 -11.712 0.934 -1.145 582 HB2 ASP 79 HB2 ASP 79 -13.779 1.414 0.046 583 HB3 ASP 79 HB3 ASP 79 -14.480 -0.108 -0.490 584 H ALA 80 H ALA 80 -10.437 -0.779 -0.756 585 HA ALA 80 HA ALA 80 -11.291 -3.436 -1.635 586 HB1 ALA 80 HB1 ALA 80 -10.184 -2.459 -3.580 587 HB2 ALA 80 HB2 ALA 80 -9.236 -3.790 -2.914 588 HB3 ALA 80 HB3 ALA 80 -8.754 -2.121 -2.604 589 H ALA 81 H ALA 81 -10.818 -4.857 -0.114 590 HA ALA 81 HA ALA 81 -8.724 -4.237 1.843 591 HB1 ALA 81 HB1 ALA 81 -10.945 -4.778 2.720 592 HB2 ALA 81 HB2 ALA 81 -9.750 -5.977 3.215 593 HB3 ALA 81 HB3 ALA 81 -10.885 -6.346 1.915 594 H PHE 82 H PHE 82 -6.805 -4.889 1.009 595 HA PHE 82 HA PHE 82 -6.614 -7.473 -0.353 596 HD1 PHE 82 HD1 PHE 82 -5.847 -3.534 -0.752 597 HD2 PHE 82 HD2 PHE 82 -5.000 -7.068 -2.975 598 HE1 PHE 82 HE1 PHE 82 -6.462 -2.373 -2.832 599 HE2 PHE 82 HE2 PHE 82 -5.619 -5.912 -5.055 600 HZ PHE 82 HZ PHE 82 -6.351 -3.564 -4.988 601 HB2 PHE 82 HB2 PHE 82 -4.528 -5.344 0.189 602 HB3 PHE 82 HB3 PHE 82 -4.236 -6.821 -0.713 603 H THR 83 H THR 83 -6.494 -9.179 0.957 604 HA THR 83 HA THR 83 -4.919 -9.013 3.413 605 HB THR 83 HB THR 83 -6.564 -11.327 2.363 606 HG1 THR 83 HG1 THR 83 -8.092 -9.895 2.872 607 HG21 THR 83 HG21 THR 83 -5.410 -10.766 5.100 608 HG22 THR 83 HG22 THR 83 -4.843 -11.994 3.968 609 HG23 THR 83 HG23 THR 83 -6.449 -12.130 4.684 610 H PHE 84 H PHE 84 -2.812 -9.220 3.049 611 HA PHE 84 HA PHE 84 -1.825 -10.896 0.900 612 HD1 PHE 84 HD2 PHE 84 -1.706 -7.206 2.551 613 HD2 PHE 84 HD1 PHE 84 0.146 -9.241 -0.690 614 HE1 PHE 84 HE2 PHE 84 -2.101 -5.254 1.101 615 HE2 PHE 84 HE1 PHE 84 -0.241 -7.297 -2.143 616 HZ PHE 84 HZ PHE 84 -1.369 -5.299 -1.250 617 HB2 PHE 84 HB2 PHE 84 -0.364 -9.182 2.922 618 HB3 PHE 84 HB3 PHE 84 0.400 -10.027 1.581 619 H SER 85 H SER 85 -0.445 -12.668 1.175 620 HA SER 85 HA SER 85 -0.985 -14.391 3.330 621 HG SER 85 HG SER 85 -0.621 -16.021 0.603 622 HB2 SER 85 HB2 SER 85 1.399 -14.554 1.479 623 HB3 SER 85 HB3 SER 85 0.588 -15.883 2.306 624 H CYS 86 H CYS 86 1.536 -12.053 2.748 625 HA CYS 86 HA CYS 86 2.579 -12.557 5.448 626 HG CYS 86 HG CYS 86 5.631 -14.275 3.855 627 HB2 CYS 86 HB2 CYS 86 4.205 -11.635 3.070 628 HB3 CYS 86 HB3 CYS 86 4.809 -11.978 4.685 629 H GLN 87 H GLN 87 2.995 -10.733 6.679 630 HA GLN 87 HA GLN 87 1.514 -8.404 6.020 631 HB2 GLN 87 HB2 GLN 87 1.763 -8.988 8.330 632 HB3 GLN 87 HB3 GLN 87 3.518 -8.947 8.208 633 HG2 GLN 87 HG2 GLN 87 3.559 -6.607 8.039 634 HG3 GLN 87 HG3 GLN 87 1.825 -6.514 7.737 635 HE21 GLN 87 HE21 GLN 87 0.396 -6.753 9.458 636 HE22 GLN 87 HE22 GLN 87 0.916 -6.627 11.106 637 H ALA 88 H ALA 88 4.848 -9.315 5.633 638 HA ALA 88 HA ALA 88 6.062 -6.854 5.228 639 HB1 ALA 88 HB1 ALA 88 6.631 -9.435 3.769 640 HB2 ALA 88 HB2 ALA 88 7.280 -8.977 5.344 641 HB3 ALA 88 HB3 ALA 88 7.720 -8.054 3.908 642 H GLU 89 H GLU 89 4.139 -8.814 3.020 643 HA GLU 89 HA GLU 89 4.636 -7.305 0.672 644 HB2 GLU 89 HB2 GLU 89 2.054 -8.770 1.128 645 HB3 GLU 89 HB3 GLU 89 3.001 -8.633 -0.344 646 HG2 GLU 89 HG2 GLU 89 3.852 -10.220 2.063 647 HG3 GLU 89 HG3 GLU 89 2.989 -10.896 0.686 648 H MET 90 H MET 90 2.482 -6.928 3.366 649 HA MET 90 HA MET 90 0.644 -5.158 2.062 650 HB2 MET 90 HB2 MET 90 0.028 -6.615 3.989 651 HB3 MET 90 HB3 MET 90 1.062 -5.641 5.022 652 HG2 MET 90 HG2 MET 90 -1.166 -4.375 3.479 653 HG3 MET 90 HG3 MET 90 -1.485 -5.217 4.993 654 HE1 MET 90 HE1 MET 90 0.617 -3.138 7.552 655 HE2 MET 90 HE2 MET 90 1.083 -4.614 6.704 656 HE3 MET 90 HE3 MET 90 -0.549 -4.445 7.350 657 H ILE 91 H ILE 91 3.275 -4.731 4.430 658 HA ILE 91 HA ILE 91 2.953 -1.937 4.610 659 HB ILE 91 HB ILE 91 5.391 -2.054 5.493 660 HG12 ILE 91 HG12 ILE 91 4.646 -4.976 5.663 661 HG13 ILE 91 HG13 ILE 91 5.803 -4.330 4.509 662 HG21 ILE 91 HG21 ILE 91 3.098 -3.430 6.877 663 HG22 ILE 91 HG22 ILE 91 3.450 -1.701 6.889 664 HG23 ILE 91 HG23 ILE 91 4.555 -2.833 7.670 665 HD11 ILE 91 HD11 ILE 91 6.046 -4.233 7.506 666 HD12 ILE 91 HD12 ILE 91 7.213 -3.573 6.361 667 HD13 ILE 91 HD13 ILE 91 6.924 -5.312 6.422 668 H ILE 92 H ILE 92 4.985 -3.944 2.491 669 HA ILE 92 HA ILE 92 6.408 -1.738 1.389 670 HB ILE 92 HB ILE 92 7.028 -3.249 -0.446 671 HG12 ILE 92 HG12 ILE 92 5.256 -5.271 0.930 672 HG13 ILE 92 HG13 ILE 92 4.910 -4.498 -0.613 673 HG21 ILE 92 HG21 ILE 92 8.266 -4.873 0.909 674 HG22 ILE 92 HG22 ILE 92 7.259 -4.464 2.298 675 HG23 ILE 92 HG23 ILE 92 8.328 -3.250 1.596 676 HD11 ILE 92 HD11 ILE 92 5.768 -6.730 -0.948 677 HD12 ILE 92 HD12 ILE 92 7.218 -6.335 -0.026 678 HD13 ILE 92 HD13 ILE 92 6.911 -5.539 -1.570 679 H PHE 93 H PHE 93 3.349 -3.240 0.738 680 HA PHE 93 HA PHE 93 2.779 -2.053 -1.753 681 HD1 PHE 93 HD1 PHE 93 1.133 -3.189 -3.264 682 HD2 PHE 93 HD2 PHE 93 -1.239 -2.036 0.082 683 HE1 PHE 93 HE1 PHE 93 -0.765 -2.742 -4.763 684 HE2 PHE 93 HE2 PHE 93 -3.140 -1.587 -1.414 685 HZ PHE 93 HZ PHE 93 -2.903 -1.942 -3.838 686 HB2 PHE 93 HB2 PHE 93 1.532 -3.962 -0.751 687 HB3 PHE 93 HB3 PHE 93 0.863 -2.866 0.448 688 H GLU 94 H GLU 94 2.053 -1.068 1.581 689 HA GLU 94 HA GLU 94 0.685 1.305 1.083 690 HB2 GLU 94 HB2 GLU 94 2.558 0.594 3.346 691 HB3 GLU 94 HB3 GLU 94 1.498 1.996 3.344 692 HG2 GLU 94 HG2 GLU 94 0.576 -0.861 3.155 693 HG3 GLU 94 HG3 GLU 94 0.599 0.109 4.628 694 H LEU 95 H LEU 95 4.158 0.779 1.526 695 HA LEU 95 HA LEU 95 5.067 3.395 1.406 696 HG LEU 95 HG LEU 95 5.857 0.669 2.701 697 HB2 LEU 95 HB2 LEU 95 6.424 0.941 0.277 698 HB3 LEU 95 HB3 LEU 95 7.210 2.455 0.675 699 HD11 LEU 95 HD11 LEU 95 8.128 0.051 3.378 700 HD12 LEU 95 HD12 LEU 95 8.776 0.965 2.014 701 HD13 LEU 95 HD13 LEU 95 7.773 -0.456 1.726 702 HD21 LEU 95 HD21 LEU 95 7.075 2.044 4.325 703 HD22 LEU 95 HD22 LEU 95 5.954 3.009 3.364 704 HD23 LEU 95 HD23 LEU 95 7.679 3.052 3.009 705 H SER 96 H SER 96 4.233 1.186 -1.192 706 HA SER 96 HA SER 96 5.358 2.898 -3.226 707 HG SER 96 HG SER 96 5.533 -0.344 -2.541 708 HB2 SER 96 HB2 SER 96 3.751 0.349 -3.523 709 HB3 SER 96 HB3 SER 96 4.717 1.129 -4.776 710 H LEU 97 H LEU 97 2.284 2.465 -1.741 711 HA LEU 97 HA LEU 97 0.638 3.301 -3.883 712 HG LEU 97 HG LEU 97 0.257 1.147 -1.725 713 HB2 LEU 97 HB2 LEU 97 0.226 3.453 -0.900 714 HB3 LEU 97 HB3 LEU 97 -1.006 3.866 -2.077 715 HD11 LEU 97 HD11 LEU 97 -1.982 0.495 -0.964 716 HD12 LEU 97 HD12 LEU 97 -2.503 2.177 -1.084 717 HD13 LEU 97 HD13 LEU 97 -1.260 1.718 0.080 718 HD21 LEU 97 HD21 LEU 97 -0.319 1.627 -4.062 719 HD22 LEU 97 HD22 LEU 97 -1.959 2.042 -3.567 720 HD23 LEU 97 HD23 LEU 97 -1.369 0.392 -3.369 721 H ARG 98 H ARG 98 1.986 5.111 -1.120 722 HA ARG 98 HA ARG 98 0.895 7.574 -2.117 723 HE ARG 98 HE ARG 98 0.463 9.929 0.486 724 HB2 ARG 98 HB2 ARG 98 2.806 7.030 0.148 725 HB3 ARG 98 HB3 ARG 98 2.252 8.643 -0.288 726 HG2 ARG 98 HG2 ARG 98 -0.117 7.630 -0.040 727 HG3 ARG 98 HG3 ARG 98 0.707 6.368 0.874 728 HD2 ARG 98 HD2 ARG 98 -0.073 8.020 2.409 729 HD3 ARG 98 HD3 ARG 98 1.683 8.138 2.321 730 HH11 ARG 98 HH11 ARG 98 1.083 9.518 3.909 731 HH12 ARG 98 HH12 ARG 98 1.045 11.220 4.255 732 HH21 ARG 98 HH21 ARG 98 0.394 12.164 0.933 733 HH22 ARG 98 HH22 ARG 98 0.673 12.730 2.555 734 H SER 99 H SER 99 3.937 5.911 -2.397 735 HA SER 99 HA SER 99 5.388 8.170 -3.382 736 HG SER 99 HG SER 99 6.180 5.493 -1.529 737 HB2 SER 99 HB2 SER 99 6.013 5.217 -3.637 738 HB3 SER 99 HB3 SER 99 7.140 6.545 -3.923 739 H LEU 100 H LEU 100 2.853 6.636 -4.727 740 HA LEU 100 HA LEU 100 3.933 6.605 -7.450 741 HG LEU 100 HG LEU 100 1.143 6.099 -8.782 742 HB2 LEU 100 HB2 LEU 100 2.732 4.606 -6.690 743 HB3 LEU 100 HB3 LEU 100 1.310 5.577 -6.371 744 HD11 LEU 100 HD11 LEU 100 3.483 5.862 -9.388 745 HD12 LEU 100 HD12 LEU 100 2.475 4.806 -10.378 746 HD13 LEU 100 HD13 LEU 100 3.414 4.135 -9.044 747 HD21 LEU 100 HD21 LEU 100 -0.134 4.255 -7.841 748 HD22 LEU 100 HD22 LEU 100 1.223 3.161 -8.113 749 HD23 LEU 100 HD23 LEU 100 0.384 3.883 -9.485 750 H ALA 101 H ALA 101 1.096 7.835 -5.658 751 HA ALA 101 HA ALA 101 0.713 9.797 -7.823 752 HB1 ALA 101 HB1 ALA 101 -1.627 9.894 -7.167 753 HB2 ALA 101 HB2 ALA 101 -1.322 8.754 -5.856 754 HB3 ALA 101 HB3 ALA 101 -1.150 8.236 -7.534 755 H LEU 102 H LEU 102 2.045 9.597 -4.902 756 HA LEU 102 HA LEU 102 2.725 11.032 -3.315 757 HG LEU 102 HG LEU 102 3.331 12.068 -6.197 758 HB2 LEU 102 HB2 LEU 102 1.433 13.133 -5.052 759 HB3 LEU 102 HB3 LEU 102 2.452 13.455 -3.666 760 HD11 LEU 102 HD11 LEU 102 4.658 14.087 -6.575 761 HD12 LEU 102 HD12 LEU 102 3.942 14.825 -5.142 762 HD13 LEU 102 HD13 LEU 102 2.931 14.445 -6.536 763 HD21 LEU 102 HD21 LEU 102 4.921 12.905 -3.776 764 HD22 LEU 102 HD22 LEU 102 5.572 12.202 -5.256 765 HD23 LEU 102 HD23 LEU 102 4.512 11.248 -4.219 766 H GLU 103 H GLU 103 -0.358 12.450 -4.330 767 HA GLU 103 HA GLU 103 -2.192 13.121 -3.180 768 HB2 GLU 103 HB2 GLU 103 -1.595 10.419 -2.057 769 HB3 GLU 103 HB3 GLU 103 -2.894 11.370 -1.347 770 HG2 GLU 103 HG2 GLU 103 -2.716 10.777 -4.289 771 HG3 GLU 103 HG3 GLU 103 -3.562 9.737 -3.142 772 H HIS 104 H HIS 104 -1.743 14.987 -2.162 773 HA HIS 104 HA HIS 104 -0.464 14.935 0.453 774 HD1 HIS 104 HD1 HIS 104 -1.615 19.266 0.532 775 HD2 HIS 104 HD2 HIS 104 1.402 16.564 1.481 776 HE1 HIS 104 HE1 HIS 104 -0.423 20.247 2.520 777 HE2 HIS 104 HE2 HIS 104 1.241 18.480 3.212 778 HB2 HIS 104 HB2 HIS 104 0.034 16.722 -1.266 779 HB3 HIS 104 HB3 HIS 104 -1.597 17.331 -1.009 780 H HIS 105 H HIS 105 -3.210 13.849 -0.286 781 HA HIS 105 HA HIS 105 -5.097 15.414 1.173 782 HD1 HIS 105 HD1 HIS 105 -5.539 13.447 -2.438 783 HD2 HIS 105 HD2 HIS 105 -7.907 15.449 0.345 784 HE1 HIS 105 HE1 HIS 105 -7.149 14.834 -3.781 785 HE2 HIS 105 HE2 HIS 105 -8.536 16.085 -2.084 786 HB2 HIS 105 HB2 HIS 105 -5.110 12.701 -0.081 787 HB3 HIS 105 HB3 HIS 105 -6.354 13.090 1.102 788 H HIS 106 H HIS 106 -5.184 15.620 3.264 789 HA HIS 106 HA HIS 106 -3.652 13.928 5.009 790 HD1 HIS 106 HD1 HIS 106 -5.493 17.830 4.185 791 HD2 HIS 106 HD2 HIS 106 -7.262 15.579 7.209 792 HE1 HIS 106 HE1 HIS 106 -7.811 18.773 4.474 793 HE2 HIS 106 HE2 HIS 106 -8.843 17.439 6.350 794 HB2 HIS 106 HB2 HIS 106 -4.463 15.390 6.809 795 HB3 HIS 106 HB3 HIS 106 -3.839 16.334 5.462 796 H HIS 107 H HIS 107 -4.700 13.064 7.051 797 HA HIS 107 HA HIS 107 -6.962 11.415 6.213 798 HD1 HIS 107 HD1 HIS 107 -5.684 8.780 5.891 799 HD2 HIS 107 HD2 HIS 107 -2.751 11.017 7.826 800 HE1 HIS 107 HE1 HIS 107 -3.488 8.007 4.928 801 HE2 HIS 107 HE2 HIS 107 -1.720 9.290 6.191 802 HB2 HIS 107 HB2 HIS 107 -5.328 11.236 8.759 803 HB3 HIS 107 HB3 HIS 107 -6.451 10.028 8.141 804 H HIS 108 H HIS 108 -8.979 11.935 6.760 805 HA HIS 108 HA HIS 108 -9.554 14.219 8.294 806 HD1 HIS 108 HD1 HIS 108 -11.476 11.147 5.471 807 HD2 HIS 108 HD2 HIS 108 -12.502 11.199 9.504 808 HE1 HIS 108 HE1 HIS 108 -12.565 8.929 5.927 809 HE2 HIS 108 HE2 HIS 108 -13.360 9.064 8.316 810 HB2 HIS 108 HB2 HIS 108 -11.892 13.679 8.021 811 HB3 HIS 108 HB3 HIS 108 -11.049 13.365 6.513 812 H HIS 109 H HIS 109 -10.402 14.524 10.307 813 HA HIS 109 HA HIS 109 -10.556 12.194 12.086 814 HD1 HIS 109 HD1 HIS 109 -6.823 14.136 11.536 815 HD2 HIS 109 HD2 HIS 109 -8.434 11.028 13.784 816 HE1 HIS 109 HE1 HIS 109 -5.050 12.351 11.600 817 HE2 HIS 109 HE2 HIS 109 -5.981 10.554 13.109 818 HB2 HIS 109 HB2 HIS 109 -9.013 14.739 12.571 819 HB3 HIS 109 HB3 HIS 109 -9.566 13.724 13.896 Start of MODEL 19 1 HA MET 1 HA MET 1 52.249 -0.093 30.746 2 H1 MET 1 H1 MET 1 53.618 1.590 31.729 3 H2 MET 1 H2 MET 1 52.349 2.711 31.683 4 H3 MET 1 H3 MET 1 53.017 2.132 30.238 5 HB2 MET 1 HB2 MET 1 50.962 1.265 33.124 6 HB3 MET 1 HB3 MET 1 50.599 -0.369 32.593 7 HG2 MET 1 HG2 MET 1 52.088 -0.550 34.413 8 HG3 MET 1 HG3 MET 1 53.007 -0.933 32.961 9 HE1 MET 1 HE1 MET 1 51.895 2.585 34.387 10 HE2 MET 1 HE2 MET 1 53.333 3.035 35.302 11 HE3 MET 1 HE3 MET 1 52.356 1.661 35.817 12 H ALA 2 H ALA 2 51.452 0.562 28.710 13 HA ALA 2 HA ALA 2 48.606 0.825 28.650 14 HB1 ALA 2 HB1 ALA 2 48.470 2.916 27.406 15 HB2 ALA 2 HB2 ALA 2 50.216 3.128 27.537 16 HB3 ALA 2 HB3 ALA 2 49.211 3.189 28.985 17 H MET 3 H MET 3 48.803 -1.112 27.488 18 HA MET 3 HA MET 3 50.277 -1.004 24.951 19 HB2 MET 3 HB2 MET 3 49.064 -3.367 26.402 20 HB3 MET 3 HB3 MET 3 49.943 -3.461 24.885 21 HG2 MET 3 HG2 MET 3 51.568 -4.056 26.372 22 HG3 MET 3 HG3 MET 3 51.849 -2.322 26.250 23 HE1 MET 3 HE1 MET 3 49.004 -4.293 28.112 24 HE2 MET 3 HE2 MET 3 49.649 -4.370 29.753 25 HE3 MET 3 HE3 MET 3 50.445 -5.252 28.449 26 H LYS 4 H LYS 4 47.905 0.483 25.085 27 HA LYS 4 HA LYS 4 45.816 -1.077 23.839 28 HB2 LYS 4 HB2 LYS 4 46.032 1.918 24.204 29 HB3 LYS 4 HB3 LYS 4 44.620 1.071 23.590 30 HG2 LYS 4 HG2 LYS 4 43.981 1.312 25.746 31 HG3 LYS 4 HG3 LYS 4 44.852 -0.213 25.895 32 HD2 LYS 4 HD2 LYS 4 45.496 1.280 27.686 33 HD3 LYS 4 HD3 LYS 4 46.862 1.030 26.596 34 HE2 LYS 4 HE2 LYS 4 46.661 3.378 27.238 35 HE3 LYS 4 HE3 LYS 4 46.395 3.165 25.508 36 HZ1 LYS 4 HZ1 LYS 4 44.791 4.688 26.558 37 HZ2 LYS 4 HZ2 LYS 4 44.220 3.416 27.519 38 HZ3 LYS 4 HZ3 LYS 4 44.039 3.355 25.836 39 H ASP 5 H ASP 5 46.912 -1.891 22.042 40 HA ASP 5 HA ASP 5 47.302 0.087 19.902 41 HB2 ASP 5 HB2 ASP 5 49.499 -0.661 20.604 42 HB3 ASP 5 HB3 ASP 5 49.004 -2.346 20.483 43 H VAL 6 H VAL 6 45.376 -0.224 18.941 44 HA VAL 6 HA VAL 6 44.869 -2.902 17.853 45 HB VAL 6 HB VAL 6 43.313 -2.599 19.678 46 HG11 VAL 6 HG11 VAL 6 41.712 -0.769 19.757 47 HG12 VAL 6 HG12 VAL 6 42.441 -0.053 18.320 48 HG13 VAL 6 HG13 VAL 6 43.368 -0.163 19.818 49 HG21 VAL 6 HG21 VAL 6 41.189 -2.833 18.484 50 HG22 VAL 6 HG22 VAL 6 42.482 -3.745 17.703 51 HG23 VAL 6 HG23 VAL 6 41.950 -2.209 17.019 52 H VAL 7 H VAL 7 44.478 -2.964 15.736 53 HA VAL 7 HA VAL 7 44.332 -0.390 14.328 54 HB VAL 7 HB VAL 7 45.144 -3.083 13.218 55 HG11 VAL 7 HG11 VAL 7 45.377 -0.313 12.037 56 HG12 VAL 7 HG12 VAL 7 44.229 -1.555 11.535 57 HG13 VAL 7 HG13 VAL 7 45.959 -1.807 11.303 58 HG21 VAL 7 HG21 VAL 7 46.756 -2.335 14.867 59 HG22 VAL 7 HG22 VAL 7 46.844 -0.752 14.095 60 HG23 VAL 7 HG23 VAL 7 47.435 -2.182 13.246 61 H ASP 8 H ASP 8 42.190 0.053 14.188 62 HA ASP 8 HA ASP 8 40.835 -1.379 12.093 63 HB2 ASP 8 HB2 ASP 8 38.755 -1.793 13.240 64 HB3 ASP 8 HB3 ASP 8 40.042 -2.578 14.141 65 H LYS 9 H LYS 9 40.011 0.089 10.762 66 HA LYS 9 HA LYS 9 38.734 2.479 11.652 67 HB2 LYS 9 HB2 LYS 9 41.251 2.893 12.012 68 HB3 LYS 9 HB3 LYS 9 41.371 2.930 10.259 69 HG2 LYS 9 HG2 LYS 9 39.838 4.808 10.169 70 HG3 LYS 9 HG3 LYS 9 39.639 4.748 11.922 71 HD2 LYS 9 HD2 LYS 9 42.063 5.187 12.170 72 HD3 LYS 9 HD3 LYS 9 42.191 5.339 10.416 73 HE2 LYS 9 HE2 LYS 9 40.469 7.050 12.206 74 HE3 LYS 9 HE3 LYS 9 42.034 7.517 11.542 75 HZ1 LYS 9 HZ1 LYS 9 39.635 6.828 9.930 76 HZ2 LYS 9 HZ2 LYS 9 41.130 7.363 9.330 77 HZ3 LYS 9 HZ3 LYS 9 40.172 8.402 10.260 78 H CYS 10 H CYS 10 37.783 0.578 10.025 79 HA CYS 10 HA CYS 10 37.576 2.019 7.496 80 HG CYS 10 HG CYS 10 37.691 1.046 4.882 81 HB2 CYS 10 HB2 CYS 10 39.234 0.223 7.115 82 HB3 CYS 10 HB3 CYS 10 38.050 -0.970 7.634 83 H SER 11 H SER 11 35.560 2.690 8.012 84 HA SER 11 HA SER 11 33.449 0.814 7.496 85 HG SER 11 HG SER 11 31.619 0.302 9.527 86 HB2 SER 11 HB2 SER 11 33.725 0.470 9.920 87 HB3 SER 11 HB3 SER 11 33.563 2.204 10.190 88 H THR 12 H THR 12 32.908 2.074 5.778 89 HA THR 12 HA THR 12 32.257 4.892 6.338 90 HB THR 12 HB THR 12 32.783 5.261 3.875 91 HG1 THR 12 HG1 THR 12 34.008 3.671 2.854 92 HG21 THR 12 HG21 THR 12 35.060 4.352 5.643 93 HG22 THR 12 HG22 THR 12 34.317 5.952 5.673 94 HG23 THR 12 HG23 THR 12 35.192 5.413 4.240 95 H LYS 13 H LYS 13 31.391 2.000 4.500 96 HA LYS 13 HA LYS 13 29.219 3.270 3.149 97 HB2 LYS 13 HB2 LYS 13 30.462 1.328 2.215 98 HB3 LYS 13 HB3 LYS 13 29.760 0.312 3.467 99 HG2 LYS 13 HG2 LYS 13 27.553 0.652 2.594 100 HG3 LYS 13 HG3 LYS 13 28.147 1.845 1.437 101 HD2 LYS 13 HD2 LYS 13 28.846 -1.092 1.489 102 HD3 LYS 13 HD3 LYS 13 27.755 -0.302 0.351 103 HE2 LYS 13 HE2 LYS 13 29.696 1.152 -0.325 104 HE3 LYS 13 HE3 LYS 13 30.725 0.093 0.637 105 HZ1 LYS 13 HZ1 LYS 13 29.936 -1.777 -0.745 106 HZ2 LYS 13 HZ2 LYS 13 30.785 -0.608 -1.633 107 HZ3 LYS 13 HZ3 LYS 13 29.096 -0.672 -1.723 108 H GLY 14 H GLY 14 27.265 3.654 3.840 109 HA2 GLY 14 HA2 GLY 14 25.612 1.929 5.258 110 HA3 GLY 14 HA3 GLY 14 26.393 2.962 6.449 111 H CYS 15 H CYS 15 24.451 3.004 3.499 112 HA CYS 15 HA CYS 15 22.698 5.007 4.466 113 HG CYS 15 HG CYS 15 21.906 7.001 2.051 114 HB2 CYS 15 HB2 CYS 15 24.690 6.432 3.959 115 HB3 CYS 15 HB3 CYS 15 24.591 5.912 2.282 116 H ALA 16 H ALA 16 20.809 4.534 3.518 117 HA ALA 16 HA ALA 16 20.608 3.995 0.708 118 HB1 ALA 16 HB1 ALA 16 21.417 1.815 1.461 119 HB2 ALA 16 HB2 ALA 16 19.761 1.713 0.865 120 HB3 ALA 16 HB3 ALA 16 20.073 1.706 2.600 121 H ILE 17 H ILE 17 18.562 4.260 -0.049 122 HA ILE 17 HA ILE 17 16.463 4.851 1.913 123 HB ILE 17 HB ILE 17 16.909 6.623 0.273 124 HG12 ILE 17 HG12 ILE 17 14.253 5.266 -0.248 125 HG13 ILE 17 HG13 ILE 17 14.611 6.297 1.133 126 HG21 ILE 17 HG21 ILE 17 16.425 6.296 -2.107 127 HG22 ILE 17 HG22 ILE 17 16.146 4.580 -1.809 128 HG23 ILE 17 HG23 ILE 17 17.750 5.269 -1.556 129 HD11 ILE 17 HD11 ILE 17 14.628 7.152 -1.752 130 HD12 ILE 17 HD12 ILE 17 14.981 8.183 -0.365 131 HD13 ILE 17 HD13 ILE 17 13.369 7.498 -0.568 132 H ASP 18 H ASP 18 14.516 3.717 1.896 133 HA ASP 18 HA ASP 18 14.135 1.602 -0.063 134 HB2 ASP 18 HB2 ASP 18 15.600 0.648 1.744 135 HB3 ASP 18 HB3 ASP 18 14.301 0.961 2.891 136 H ILE 19 H ILE 19 11.998 0.781 -0.095 137 HA ILE 19 HA ILE 19 9.956 2.565 0.683 138 HB ILE 19 HB ILE 19 9.918 -0.286 -0.285 139 HG12 ILE 19 HG12 ILE 19 8.731 2.181 -1.544 140 HG13 ILE 19 HG13 ILE 19 10.404 1.724 -1.786 141 HG21 ILE 19 HG21 ILE 19 8.024 -0.066 1.234 142 HG22 ILE 19 HG22 ILE 19 7.478 -0.159 -0.440 143 HG23 ILE 19 HG23 ILE 19 7.504 1.395 0.391 144 HD11 ILE 19 HD11 ILE 19 9.713 -0.368 -2.785 145 HD12 ILE 19 HD12 ILE 19 8.970 0.997 -3.618 146 HD13 ILE 19 HD13 ILE 19 8.024 0.034 -2.483 147 H GLY 20 H GLY 20 10.935 -0.595 2.032 148 HA2 GLY 20 HA2 GLY 20 8.830 -0.481 4.016 149 HA3 GLY 20 HA3 GLY 20 9.992 -1.777 3.796 150 H THR 21 H THR 21 10.401 1.685 4.481 151 HA THR 21 HA THR 21 11.979 0.943 6.840 152 HB THR 21 HB THR 21 13.049 2.437 5.139 153 HG1 THR 21 HG1 THR 21 13.467 2.465 7.536 154 HG21 THR 21 HG21 THR 21 12.358 4.801 5.082 155 HG22 THR 21 HG22 THR 21 10.960 4.399 6.081 156 HG23 THR 21 HG23 THR 21 11.108 3.724 4.458 157 H VAL 22 H VAL 22 8.959 1.740 5.997 158 HA VAL 22 HA VAL 22 8.340 2.801 8.672 159 HB VAL 22 HB VAL 22 6.807 3.404 6.131 160 HG11 VAL 22 HG11 VAL 22 6.417 4.387 8.953 161 HG12 VAL 22 HG12 VAL 22 5.351 3.301 8.063 162 HG13 VAL 22 HG13 VAL 22 5.541 4.974 7.540 163 HG21 VAL 22 HG21 VAL 22 7.567 5.727 6.464 164 HG22 VAL 22 HG22 VAL 22 8.894 4.615 6.125 165 HG23 VAL 22 HG23 VAL 22 8.611 5.173 7.775 166 H ILE 23 H ILE 23 7.163 1.400 9.835 167 HA ILE 23 HA ILE 23 5.481 -0.509 8.371 168 HB ILE 23 HB ILE 23 7.419 -1.761 8.922 169 HG12 ILE 23 HG12 ILE 23 5.279 -2.368 10.977 170 HG13 ILE 23 HG13 ILE 23 5.252 -2.881 9.293 171 HG21 ILE 23 HG21 ILE 23 8.297 -1.966 11.208 172 HG22 ILE 23 HG22 ILE 23 7.140 -0.747 11.749 173 HG23 ILE 23 HG23 ILE 23 8.400 -0.318 10.592 174 HD11 ILE 23 HD11 ILE 23 5.950 -4.689 10.748 175 HD12 ILE 23 HD12 ILE 23 7.281 -3.703 11.357 176 HD13 ILE 23 HD13 ILE 23 7.262 -4.212 9.668 177 H ASP 24 H ASP 24 3.471 -0.147 8.905 178 HA ASP 24 HA ASP 24 2.680 0.996 11.418 179 HB2 ASP 24 HB2 ASP 24 1.008 -0.250 9.217 180 HB3 ASP 24 HB3 ASP 24 0.371 0.651 10.587 181 H ASN 25 H ASN 25 3.045 -2.159 10.087 182 HA ASN 25 HA ASN 25 2.402 -4.258 10.693 183 HB2 ASN 25 HB2 ASN 25 3.203 -4.924 12.916 184 HB3 ASN 25 HB3 ASN 25 4.364 -3.914 12.075 185 HD21 ASN 25 HD21 ASN 25 2.105 -4.107 14.709 186 HD22 ASN 25 HD22 ASN 25 2.690 -2.720 15.567 187 H ASP 26 H ASP 26 0.219 -2.555 10.617 188 HA ASP 26 HA ASP 26 -1.352 -2.821 13.001 189 HB2 ASP 26 HB2 ASP 26 -1.562 -0.824 11.653 190 HB3 ASP 26 HB3 ASP 26 -2.029 -1.778 10.249 191 H ASN 27 H ASN 27 -1.599 -4.138 9.695 192 HA ASN 27 HA ASN 27 -3.099 -6.414 10.778 193 HB2 ASN 27 HB2 ASN 27 -4.038 -4.478 8.695 194 HB3 ASN 27 HB3 ASN 27 -4.473 -6.173 8.521 195 HD21 ASN 27 HD21 ASN 27 -4.943 -3.261 10.357 196 HD22 ASN 27 HD22 ASN 27 -6.286 -3.836 11.284 197 H CYS 28 H CYS 28 -3.546 -7.920 8.645 198 HA CYS 28 HA CYS 28 -1.062 -7.972 7.044 199 HG CYS 28 HG CYS 28 -3.610 -11.872 7.162 200 HB2 CYS 28 HB2 CYS 28 -1.520 -10.305 6.595 201 HB3 CYS 28 HB3 CYS 28 -1.633 -10.059 8.333 202 H THR 29 H THR 29 -4.205 -7.031 7.095 203 HA THR 29 HA THR 29 -4.642 -7.400 4.212 204 HB THR 29 HB THR 29 -6.706 -6.602 6.275 205 HG1 THR 29 HG1 THR 29 -5.491 -8.943 6.079 206 HG21 THR 29 HG21 THR 29 -8.293 -7.428 4.596 207 HG22 THR 29 HG22 THR 29 -6.950 -7.792 3.512 208 HG23 THR 29 HG23 THR 29 -7.296 -6.120 3.956 209 H SER 30 H SER 30 -4.464 -5.702 2.951 210 HA SER 30 HA SER 30 -4.277 -3.056 4.170 211 HG SER 30 HG SER 30 -1.475 -3.070 2.515 212 HB2 SER 30 HB2 SER 30 -3.548 -4.066 1.412 213 HB3 SER 30 HB3 SER 30 -3.387 -2.395 1.933 214 H LYS 31 H LYS 31 -6.265 -2.260 4.441 215 HA LYS 31 HA LYS 31 -8.099 -2.299 2.175 216 HB2 LYS 31 HB2 LYS 31 -9.800 -1.419 3.721 217 HB3 LYS 31 HB3 LYS 31 -9.134 -2.944 4.271 218 HG2 LYS 31 HG2 LYS 31 -8.323 -0.245 5.336 219 HG3 LYS 31 HG3 LYS 31 -9.517 -1.310 6.082 220 HD2 LYS 31 HD2 LYS 31 -7.671 -3.069 6.081 221 HD3 LYS 31 HD3 LYS 31 -6.567 -1.745 5.740 222 HE2 LYS 31 HE2 LYS 31 -8.423 -1.842 8.109 223 HE3 LYS 31 HE3 LYS 31 -6.722 -2.301 8.148 224 HZ1 LYS 31 HZ1 LYS 31 -6.997 -0.054 8.920 225 HZ2 LYS 31 HZ2 LYS 31 -7.792 0.393 7.489 226 HZ3 LYS 31 HZ3 LYS 31 -6.153 -0.045 7.450 227 H PHE 32 H PHE 32 -7.937 -0.777 0.837 228 HA PHE 32 HA PHE 32 -7.058 1.887 1.730 229 HD1 PHE 32 HD2 PHE 32 -5.331 3.305 1.315 230 HD2 PHE 32 HD1 PHE 32 -6.018 1.967 -2.667 231 HE1 PHE 32 HE2 PHE 32 -4.551 5.474 0.459 232 HE2 PHE 32 HE1 PHE 32 -5.238 4.134 -3.532 233 HZ PHE 32 HZ PHE 32 -4.510 5.891 -1.968 234 HB2 PHE 32 HB2 PHE 32 -5.357 0.680 0.388 235 HB3 PHE 32 HB3 PHE 32 -6.509 0.560 -0.935 236 H SER 33 H SER 33 -8.570 3.362 1.543 237 HA SER 33 HA SER 33 -10.705 2.970 -0.443 238 HG SER 33 HG SER 33 -11.927 2.157 2.062 239 HB2 SER 33 HB2 SER 33 -10.898 4.765 1.969 240 HB3 SER 33 HB3 SER 33 -12.205 4.033 1.037 241 H ARG 34 H ARG 34 -10.984 4.441 -1.997 242 HA ARG 34 HA ARG 34 -9.777 7.101 -1.684 243 HE ARG 34 HE ARG 34 -7.786 8.144 -0.958 244 HB2 ARG 34 HB2 ARG 34 -9.206 5.080 -3.803 245 HB3 ARG 34 HB3 ARG 34 -9.250 6.772 -4.255 246 HG2 ARG 34 HG2 ARG 34 -7.572 5.856 -1.962 247 HG3 ARG 34 HG3 ARG 34 -7.001 5.705 -3.624 248 HD2 ARG 34 HD2 ARG 34 -6.158 7.760 -2.798 249 HD3 ARG 34 HD3 ARG 34 -7.473 8.159 -3.899 250 HH11 ARG 34 HH11 ARG 34 -8.342 9.595 -4.103 251 HH12 ARG 34 HH12 ARG 34 -9.175 10.979 -3.465 252 HH21 ARG 34 HH21 ARG 34 -8.931 9.939 -0.117 253 HH22 ARG 34 HH22 ARG 34 -9.534 11.163 -1.201 254 H PHE 35 H PHE 35 -10.855 8.744 -2.740 255 HA PHE 35 HA PHE 35 -13.539 8.057 -3.662 256 HD1 PHE 35 HD1 PHE 35 -15.462 8.946 -1.994 257 HD2 PHE 35 HD2 PHE 35 -11.726 10.488 -0.662 258 HE1 PHE 35 HE1 PHE 35 -16.118 8.515 0.340 259 HE2 PHE 35 HE2 PHE 35 -12.374 10.058 1.669 260 HZ PHE 35 HZ PHE 35 -14.571 9.073 2.174 261 HB2 PHE 35 HB2 PHE 35 -12.334 10.723 -2.896 262 HB3 PHE 35 HB3 PHE 35 -14.000 10.482 -3.406 263 H PHE 36 H PHE 36 -14.281 8.496 -5.672 264 HA PHE 36 HA PHE 36 -12.563 9.984 -7.530 265 HD1 PHE 36 HD2 PHE 36 -10.673 8.894 -9.263 266 HD2 PHE 36 HD1 PHE 36 -12.321 5.926 -6.694 267 HE1 PHE 36 HE2 PHE 36 -8.418 7.999 -8.852 268 HE2 PHE 36 HE1 PHE 36 -10.071 5.028 -6.277 269 HZ PHE 36 HZ PHE 36 -8.117 6.066 -7.358 270 HB2 PHE 36 HB2 PHE 36 -13.735 7.241 -8.038 271 HB3 PHE 36 HB3 PHE 36 -13.090 8.279 -9.306 272 H ALA 37 H ALA 37 -13.879 10.283 -9.676 273 HA ALA 37 HA ALA 37 -16.279 11.631 -8.967 274 HB1 ALA 37 HB1 ALA 37 -16.449 12.183 -11.327 275 HB2 ALA 37 HB2 ALA 37 -15.193 11.005 -11.709 276 HB3 ALA 37 HB3 ALA 37 -14.803 12.432 -10.746 277 H THR 38 H THR 38 -15.685 8.816 -11.092 278 HA THR 38 HA THR 38 -18.455 7.989 -10.539 279 HB THR 38 HB THR 38 -17.969 6.937 -13.024 280 HG1 THR 38 HG1 THR 38 -16.641 8.210 -14.081 281 HG21 THR 38 HG21 THR 38 -19.569 8.636 -13.815 282 HG22 THR 38 HG22 THR 38 -19.326 9.542 -12.323 283 HG23 THR 38 HG23 THR 38 -20.054 7.938 -12.270 284 H ARG 39 H ARG 39 -18.875 5.706 -10.861 285 HA ARG 39 HA ARG 39 -17.044 4.113 -9.474 286 HE ARG 39 HE ARG 39 -21.862 2.229 -13.017 287 HB2 ARG 39 HB2 ARG 39 -18.537 2.227 -10.111 288 HB3 ARG 39 HB3 ARG 39 -19.381 3.596 -9.402 289 HG2 ARG 39 HG2 ARG 39 -19.858 4.324 -11.790 290 HG3 ARG 39 HG3 ARG 39 -19.326 2.707 -12.265 291 HD2 ARG 39 HD2 ARG 39 -21.009 1.715 -10.814 292 HD3 ARG 39 HD3 ARG 39 -21.524 3.318 -10.293 293 HH11 ARG 39 HH11 ARG 39 -22.715 4.540 -10.514 294 HH12 ARG 39 HH12 ARG 39 -24.200 5.016 -11.291 295 HH21 ARG 39 HH21 ARG 39 -23.804 2.869 -14.045 296 HH22 ARG 39 HH22 ARG 39 -24.798 4.102 -13.323 297 H GLU 40 H GLU 40 -17.420 4.700 -12.882 298 HA GLU 40 HA GLU 40 -15.922 2.540 -13.888 299 HB2 GLU 40 HB2 GLU 40 -16.138 5.363 -14.940 300 HB3 GLU 40 HB3 GLU 40 -15.565 3.973 -15.844 301 HG2 GLU 40 HG2 GLU 40 -17.758 2.936 -15.651 302 HG3 GLU 40 HG3 GLU 40 -18.331 4.321 -14.724 303 H GLU 41 H GLU 41 -15.013 5.789 -12.903 304 HA GLU 41 HA GLU 41 -12.268 5.704 -13.343 305 HB2 GLU 41 HB2 GLU 41 -13.767 7.100 -11.114 306 HB3 GLU 41 HB3 GLU 41 -12.142 7.494 -11.643 307 HG2 GLU 41 HG2 GLU 41 -14.655 7.757 -13.275 308 HG3 GLU 41 HG3 GLU 41 -13.756 9.073 -12.521 309 H ALA 42 H ALA 42 -14.223 4.345 -10.819 310 HA ALA 42 HA ALA 42 -12.067 3.828 -8.998 311 HB1 ALA 42 HB1 ALA 42 -14.861 2.696 -9.044 312 HB2 ALA 42 HB2 ALA 42 -14.354 4.158 -8.200 313 HB3 ALA 42 HB3 ALA 42 -13.720 2.589 -7.702 314 H GLU 43 H GLU 43 -13.816 1.982 -11.446 315 HA GLU 43 HA GLU 43 -12.614 -0.519 -10.884 316 HB2 GLU 43 HB2 GLU 43 -13.643 0.447 -13.559 317 HB3 GLU 43 HB3 GLU 43 -13.383 -1.223 -13.077 318 HG2 GLU 43 HG2 GLU 43 -15.106 -0.812 -11.263 319 HG3 GLU 43 HG3 GLU 43 -15.480 0.685 -12.112 320 H SER 44 H SER 44 -11.771 2.126 -13.070 321 HA SER 44 HA SER 44 -9.559 0.924 -14.307 322 HG SER 44 HG SER 44 -11.179 3.926 -15.509 323 HB2 SER 44 HB2 SER 44 -9.991 3.857 -13.701 324 HB3 SER 44 HB3 SER 44 -8.896 3.192 -14.916 325 H PHE 45 H PHE 45 -9.924 2.488 -11.204 326 HA PHE 45 HA PHE 45 -7.156 2.765 -10.629 327 HD1 PHE 45 HD2 PHE 45 -6.418 4.603 -9.097 328 HD2 PHE 45 HD1 PHE 45 -8.705 2.033 -6.588 329 HE1 PHE 45 HE2 PHE 45 -4.848 5.014 -7.251 330 HE2 PHE 45 HE1 PHE 45 -7.137 2.441 -4.736 331 HZ PHE 45 HZ PHE 45 -5.206 3.930 -5.066 332 HB2 PHE 45 HB2 PHE 45 -8.969 4.006 -9.450 333 HB3 PHE 45 HB3 PHE 45 -9.474 2.499 -8.696 334 H MET 46 H MET 46 -9.559 0.250 -10.034 335 HA MET 46 HA MET 46 -7.880 -1.437 -8.504 336 HB2 MET 46 HB2 MET 46 -10.317 -1.660 -8.503 337 HB3 MET 46 HB3 MET 46 -10.290 -2.127 -10.196 338 HG2 MET 46 HG2 MET 46 -10.576 -4.027 -8.652 339 HG3 MET 46 HG3 MET 46 -9.154 -4.171 -9.684 340 HE1 MET 46 HE1 MET 46 -10.383 -3.082 -6.078 341 HE2 MET 46 HE2 MET 46 -9.386 -1.746 -6.651 342 HE3 MET 46 HE3 MET 46 -8.832 -2.748 -5.309 343 H THR 47 H THR 47 -8.320 -0.953 -11.919 344 HA THR 47 HA THR 47 -7.165 -3.301 -12.898 345 HB THR 47 HB THR 47 -7.030 -0.556 -14.156 346 HG1 THR 47 HG1 THR 47 -9.123 -2.249 -13.629 347 HG21 THR 47 HG21 THR 47 -5.601 -2.253 -15.235 348 HG22 THR 47 HG22 THR 47 -6.951 -1.781 -16.267 349 HG23 THR 47 HG23 THR 47 -7.002 -3.313 -15.396 350 H LYS 48 H LYS 48 -5.645 -0.172 -12.066 351 HA LYS 48 HA LYS 48 -3.036 -1.086 -12.790 352 HB2 LYS 48 HB2 LYS 48 -2.188 0.969 -11.810 353 HB3 LYS 48 HB3 LYS 48 -3.570 1.303 -12.840 354 HG2 LYS 48 HG2 LYS 48 -4.804 2.093 -11.142 355 HG3 LYS 48 HG3 LYS 48 -4.201 0.887 -10.003 356 HD2 LYS 48 HD2 LYS 48 -3.411 2.988 -9.249 357 HD3 LYS 48 HD3 LYS 48 -2.031 2.160 -9.959 358 HE2 LYS 48 HE2 LYS 48 -1.883 4.365 -10.753 359 HE3 LYS 48 HE3 LYS 48 -2.567 3.447 -12.094 360 HZ1 LYS 48 HZ1 LYS 48 -4.792 4.221 -11.351 361 HZ2 LYS 48 HZ2 LYS 48 -3.777 5.472 -11.864 362 HZ3 LYS 48 HZ3 LYS 48 -4.029 5.217 -10.209 363 H LEU 49 H LEU 49 -4.876 -0.959 -9.803 364 HA LEU 49 HA LEU 49 -2.769 -1.581 -8.032 365 HG LEU 49 HG LEU 49 -5.443 -0.391 -5.827 366 HB2 LEU 49 HB2 LEU 49 -5.731 -1.611 -7.909 367 HB3 LEU 49 HB3 LEU 49 -4.891 -2.603 -6.733 368 HD11 LEU 49 HD11 LEU 49 -2.488 -0.802 -6.248 369 HD12 LEU 49 HD12 LEU 49 -3.475 -1.549 -4.990 370 HD13 LEU 49 HD13 LEU 49 -3.226 0.197 -4.995 371 HD21 LEU 49 HD21 LEU 49 -3.634 0.660 -7.994 372 HD22 LEU 49 HD22 LEU 49 -4.296 1.604 -6.659 373 HD23 LEU 49 HD23 LEU 49 -5.374 0.915 -7.872 374 H LYS 50 H LYS 50 -5.022 -3.605 -9.848 375 HA LYS 50 HA LYS 50 -4.456 -6.096 -8.853 376 HB2 LYS 50 HB2 LYS 50 -5.778 -5.048 -11.080 377 HB3 LYS 50 HB3 LYS 50 -4.584 -6.154 -11.745 378 HG2 LYS 50 HG2 LYS 50 -6.620 -7.346 -11.405 379 HG3 LYS 50 HG3 LYS 50 -5.441 -7.908 -10.214 380 HD2 LYS 50 HD2 LYS 50 -6.457 -6.282 -8.594 381 HD3 LYS 50 HD3 LYS 50 -7.732 -6.003 -9.781 382 HE2 LYS 50 HE2 LYS 50 -7.036 -8.601 -8.436 383 HE3 LYS 50 HE3 LYS 50 -8.476 -7.624 -8.170 384 HZ1 LYS 50 HZ1 LYS 50 -8.942 -9.510 -9.605 385 HZ2 LYS 50 HZ2 LYS 50 -7.758 -9.004 -10.705 386 HZ3 LYS 50 HZ3 LYS 50 -9.146 -8.057 -10.458 387 H GLU 51 H GLU 51 -2.735 -4.407 -11.465 388 HA GLU 51 HA GLU 51 -0.872 -6.481 -11.924 389 HB2 GLU 51 HB2 GLU 51 -0.626 -3.549 -12.566 390 HB3 GLU 51 HB3 GLU 51 0.354 -4.842 -13.247 391 HG2 GLU 51 HG2 GLU 51 -2.631 -4.730 -13.520 392 HG3 GLU 51 HG3 GLU 51 -1.523 -4.003 -14.674 393 H LEU 52 H LEU 52 -0.835 -3.623 -9.883 394 HA LEU 52 HA LEU 52 1.879 -3.783 -9.095 395 HG LEU 52 HG LEU 52 -0.046 -1.478 -9.815 396 HB2 LEU 52 HB2 LEU 52 -0.491 -2.593 -7.654 397 HB3 LEU 52 HB3 LEU 52 1.184 -2.346 -7.200 398 HD11 LEU 52 HD11 LEU 52 0.737 0.152 -7.402 399 HD12 LEU 52 HD12 LEU 52 -0.912 -0.210 -7.913 400 HD13 LEU 52 HD13 LEU 52 0.128 0.780 -8.934 401 HD21 LEU 52 HD21 LEU 52 2.674 -0.933 -8.634 402 HD22 LEU 52 HD22 LEU 52 2.039 -0.256 -10.135 403 HD23 LEU 52 HD23 LEU 52 2.332 -1.990 -10.003 404 H ALA 53 H ALA 53 -1.106 -5.090 -7.716 405 HA ALA 53 HA ALA 53 -0.025 -6.114 -5.340 406 HB1 ALA 53 HB1 ALA 53 -2.437 -5.860 -5.763 407 HB2 ALA 53 HB2 ALA 53 -2.022 -7.478 -5.195 408 HB3 ALA 53 HB3 ALA 53 -2.362 -7.203 -6.904 409 H ALA 54 H ALA 54 -0.209 -7.467 -8.572 410 HA ALA 54 HA ALA 54 0.532 -10.106 -7.959 411 HB1 ALA 54 HB1 ALA 54 1.098 -10.301 -10.330 412 HB2 ALA 54 HB2 ALA 54 1.012 -8.546 -10.495 413 HB3 ALA 54 HB3 ALA 54 -0.438 -9.469 -10.101 414 H ALA 55 H ALA 55 2.438 -7.206 -8.488 415 HA ALA 55 HA ALA 55 4.943 -8.661 -8.466 416 HB1 ALA 55 HB1 ALA 55 4.396 -5.696 -8.456 417 HB2 ALA 55 HB2 ALA 55 4.700 -6.689 -9.881 418 HB3 ALA 55 HB3 ALA 55 5.972 -6.451 -8.682 419 H ALA 56 H ALA 56 2.936 -6.886 -6.248 420 HA ALA 56 HA ALA 56 4.948 -6.473 -4.260 421 HB1 ALA 56 HB1 ALA 56 3.047 -4.988 -4.413 422 HB2 ALA 56 HB2 ALA 56 3.074 -5.770 -2.832 423 HB3 ALA 56 HB3 ALA 56 1.946 -6.319 -4.073 424 H SER 57 H SER 57 2.157 -8.688 -4.472 425 HA SER 57 HA SER 57 3.191 -10.091 -2.117 426 HG SER 57 HG SER 57 0.718 -9.722 -4.421 427 HB2 SER 57 HB2 SER 57 0.906 -11.185 -2.124 428 HB3 SER 57 HB3 SER 57 0.924 -9.449 -1.820 429 H SER 58 H SER 58 3.965 -12.072 -2.181 430 HA SER 58 HA SER 58 4.088 -13.433 -4.768 431 HG SER 58 HG SER 58 6.412 -12.086 -2.934 432 HB2 SER 58 HB2 SER 58 5.615 -13.968 -2.213 433 HB3 SER 58 HB3 SER 58 5.905 -14.723 -3.779 434 H ALA 59 H ALA 59 1.626 -13.557 -3.498 435 HA ALA 59 HA ALA 59 1.374 -16.033 -2.063 436 HB1 ALA 59 HB1 ALA 59 -0.755 -14.257 -3.248 437 HB2 ALA 59 HB2 ALA 59 -0.158 -14.206 -1.588 438 HB3 ALA 59 HB3 ALA 59 -1.040 -15.621 -2.167 439 H ASP 60 H ASP 60 0.309 -14.904 -5.273 440 HA ASP 60 HA ASP 60 0.953 -17.396 -6.504 441 HB2 ASP 60 HB2 ASP 60 -1.192 -17.982 -5.350 442 HB3 ASP 60 HB3 ASP 60 -1.999 -16.748 -6.311 443 H GLU 61 H GLU 61 -1.703 -15.148 -7.174 444 HA GLU 61 HA GLU 61 -0.129 -13.997 -9.385 445 HB2 GLU 61 HB2 GLU 61 -2.204 -13.793 -10.689 446 HB3 GLU 61 HB3 GLU 61 -1.864 -15.474 -10.302 447 HG2 GLU 61 HG2 GLU 61 -3.526 -15.465 -8.565 448 HG3 GLU 61 HG3 GLU 61 -3.794 -13.736 -8.783 449 H GLY 62 H GLY 62 -0.908 -13.362 -6.506 450 HA2 GLY 62 HA2 GLY 62 -0.841 -10.763 -6.197 451 HA3 GLY 62 HA3 GLY 62 -2.489 -10.931 -6.799 452 H ALA 63 H ALA 63 -3.111 -10.046 -4.691 453 HA ALA 63 HA ALA 63 -3.005 -12.085 -2.569 454 HB1 ALA 63 HB1 ALA 63 -3.375 -9.105 -2.271 455 HB2 ALA 63 HB2 ALA 63 -1.883 -9.990 -1.957 456 HB3 ALA 63 HB3 ALA 63 -3.308 -10.281 -0.959 457 H SER 64 H SER 64 -4.953 -12.014 -1.103 458 HA SER 64 HA SER 64 -7.326 -12.329 -2.610 459 HG SER 64 HG SER 64 -7.152 -14.403 -1.173 460 HB2 SER 64 HB2 SER 64 -6.991 -12.034 0.384 461 HB3 SER 64 HB3 SER 64 -8.410 -12.675 -0.437 462 H VAL 65 H VAL 65 -8.204 -10.600 -3.583 463 HA VAL 65 HA VAL 65 -8.239 -8.061 -2.143 464 HB VAL 65 HB VAL 65 -7.230 -7.859 -4.303 465 HG11 VAL 65 HG11 VAL 65 -9.734 -9.093 -5.445 466 HG12 VAL 65 HG12 VAL 65 -8.134 -9.833 -5.382 467 HG13 VAL 65 HG13 VAL 65 -8.408 -8.409 -6.385 468 HG21 VAL 65 HG21 VAL 65 -8.592 -5.975 -3.657 469 HG22 VAL 65 HG22 VAL 65 -10.030 -6.738 -4.336 470 HG23 VAL 65 HG23 VAL 65 -8.721 -6.220 -5.399 471 H ALA 66 H ALA 66 -9.988 -7.676 -1.031 472 HA ALA 66 HA ALA 66 -12.599 -8.348 -2.211 473 HB1 ALA 66 HB1 ALA 66 -13.519 -8.134 0.041 474 HB2 ALA 66 HB2 ALA 66 -11.917 -7.738 0.665 475 HB3 ALA 66 HB3 ALA 66 -12.232 -9.339 -0.007 476 H TYR 67 H TYR 67 -13.003 -6.608 -3.486 477 HA TYR 67 HA TYR 67 -12.743 -3.966 -2.228 478 HD1 TYR 67 HD2 TYR 67 -11.768 -6.599 -5.254 479 HD2 TYR 67 HD1 TYR 67 -13.360 -2.797 -6.322 480 HE1 TYR 67 HE2 TYR 67 -12.395 -7.487 -7.459 481 HE2 TYR 67 HE1 TYR 67 -13.990 -3.676 -8.528 482 HH TYR 67 HH TYR 67 -13.215 -5.546 -10.053 483 HB2 TYR 67 HB2 TYR 67 -12.162 -3.002 -4.340 484 HB3 TYR 67 HB3 TYR 67 -11.108 -4.381 -4.074 485 H LYS 68 H LYS 68 -14.366 -2.530 -2.445 486 HA LYS 68 HA LYS 68 -16.667 -3.317 -4.085 487 HB2 LYS 68 HB2 LYS 68 -18.214 -2.583 -2.368 488 HB3 LYS 68 HB3 LYS 68 -17.161 -3.828 -1.712 489 HG2 LYS 68 HG2 LYS 68 -15.814 -2.106 -0.625 490 HG3 LYS 68 HG3 LYS 68 -16.879 -0.864 -1.275 491 HD2 LYS 68 HD2 LYS 68 -18.764 -1.829 -0.053 492 HD3 LYS 68 HD3 LYS 68 -17.707 -3.084 0.597 493 HE2 LYS 68 HE2 LYS 68 -17.209 -0.148 1.029 494 HE3 LYS 68 HE3 LYS 68 -18.208 -1.113 2.114 495 HZ1 LYS 68 HZ1 LYS 68 -16.010 -1.014 2.985 496 HZ2 LYS 68 HZ2 LYS 68 -15.324 -1.511 1.520 497 HZ3 LYS 68 HZ3 LYS 68 -16.265 -2.594 2.425 498 H ILE 69 H ILE 69 -17.895 -1.578 -4.851 499 HA ILE 69 HA ILE 69 -16.515 1.020 -4.732 500 HB ILE 69 HB ILE 69 -18.172 -0.024 -7.037 501 HG12 ILE 69 HG12 ILE 69 -15.162 0.248 -6.832 502 HG13 ILE 69 HG13 ILE 69 -16.044 -1.274 -6.759 503 HG21 ILE 69 HG21 ILE 69 -18.199 2.399 -6.840 504 HG22 ILE 69 HG22 ILE 69 -17.244 1.913 -8.240 505 HG23 ILE 69 HG23 ILE 69 -16.437 2.433 -6.761 506 HD11 ILE 69 HD11 ILE 69 -16.847 -0.914 -9.039 507 HD12 ILE 69 HD12 ILE 69 -15.085 -0.920 -8.955 508 HD13 ILE 69 HD13 ILE 69 -15.954 0.606 -9.108 509 H LYS 70 H LYS 70 -17.666 2.411 -3.559 510 HA LYS 70 HA LYS 70 -20.566 2.080 -3.446 511 HB2 LYS 70 HB2 LYS 70 -19.449 2.343 -1.309 512 HB3 LYS 70 HB3 LYS 70 -18.729 3.851 -1.847 513 HG2 LYS 70 HG2 LYS 70 -20.628 4.206 -0.342 514 HG3 LYS 70 HG3 LYS 70 -20.900 4.903 -1.939 515 HD2 LYS 70 HD2 LYS 70 -22.914 3.804 -1.197 516 HD3 LYS 70 HD3 LYS 70 -22.222 2.899 -2.543 517 HE2 LYS 70 HE2 LYS 70 -21.240 1.313 -0.955 518 HE3 LYS 70 HE3 LYS 70 -21.949 2.216 0.381 519 HZ1 LYS 70 HZ1 LYS 70 -24.138 1.697 -0.415 520 HZ2 LYS 70 HZ2 LYS 70 -23.259 0.252 -0.267 521 HZ3 LYS 70 HZ3 LYS 70 -23.515 0.935 -1.798 522 H ASP 71 H ASP 71 -21.702 3.088 -4.854 523 HA ASP 71 HA ASP 71 -20.684 5.435 -6.238 524 HB2 ASP 71 HB2 ASP 71 -21.777 3.473 -7.436 525 HB3 ASP 71 HB3 ASP 71 -23.299 3.996 -6.728 526 H LEU 72 H LEU 72 -20.886 7.156 -4.910 527 HA LEU 72 HA LEU 72 -23.359 7.529 -3.409 528 HG LEU 72 HG LEU 72 -20.645 6.801 -2.369 529 HB2 LEU 72 HB2 LEU 72 -20.787 9.118 -3.395 530 HB3 LEU 72 HB3 LEU 72 -22.154 9.397 -2.337 531 HD11 LEU 72 HD11 LEU 72 -19.437 7.611 -0.411 532 HD12 LEU 72 HD12 LEU 72 -20.210 9.188 -0.580 533 HD13 LEU 72 HD13 LEU 72 -19.096 8.614 -1.821 534 HD21 LEU 72 HD21 LEU 72 -22.486 8.085 -0.361 535 HD22 LEU 72 HD22 LEU 72 -21.640 6.554 -0.142 536 HD23 LEU 72 HD23 LEU 72 -22.868 6.711 -1.398 537 H GLU 73 H GLU 73 -24.279 9.729 -3.368 538 HA GLU 73 HA GLU 73 -24.724 10.666 -6.052 539 HB2 GLU 73 HB2 GLU 73 -26.463 10.566 -4.204 540 HB3 GLU 73 HB3 GLU 73 -25.666 11.965 -3.498 541 HG2 GLU 73 HG2 GLU 73 -26.047 13.151 -5.675 542 HG3 GLU 73 HG3 GLU 73 -27.055 11.788 -6.154 543 H GLY 74 H GLY 74 -22.775 11.495 -6.788 544 HA2 GLY 74 HA2 GLY 74 -22.041 13.900 -7.071 545 HA3 GLY 74 HA3 GLY 74 -21.750 13.854 -5.340 546 H GLN 75 H GLN 75 -20.747 11.118 -5.402 547 HA GLN 75 HA GLN 75 -18.442 11.043 -7.101 548 HB2 GLN 75 HB2 GLN 75 -16.751 11.196 -5.329 549 HB3 GLN 75 HB3 GLN 75 -17.655 12.696 -5.463 550 HG2 GLN 75 HG2 GLN 75 -19.022 12.018 -3.527 551 HG3 GLN 75 HG3 GLN 75 -18.043 10.558 -3.377 552 HE21 GLN 75 HE21 GLN 75 -17.310 11.100 -1.317 553 HE22 GLN 75 HE22 GLN 75 -16.168 12.372 -1.043 554 H VAL 76 H VAL 76 -16.951 9.170 -6.252 555 HA VAL 76 HA VAL 76 -18.655 7.129 -4.973 556 HB VAL 76 HB VAL 76 -17.785 5.402 -6.434 557 HG11 VAL 76 HG11 VAL 76 -18.891 7.732 -7.992 558 HG12 VAL 76 HG12 VAL 76 -19.826 6.506 -7.135 559 HG13 VAL 76 HG13 VAL 76 -18.858 6.056 -8.538 560 HG21 VAL 76 HG21 VAL 76 -16.308 7.615 -7.846 561 HG22 VAL 76 HG22 VAL 76 -16.412 5.941 -8.389 562 HG23 VAL 76 HG23 VAL 76 -15.588 6.330 -6.879 563 H GLU 77 H GLU 77 -17.440 5.354 -4.002 564 HA GLU 77 HA GLU 77 -14.689 6.129 -3.299 565 HB2 GLU 77 HB2 GLU 77 -16.126 6.480 -1.363 566 HB3 GLU 77 HB3 GLU 77 -16.751 4.844 -1.502 567 HG2 GLU 77 HG2 GLU 77 -14.558 3.936 -0.986 568 HG3 GLU 77 HG3 GLU 77 -13.889 5.565 -0.907 569 H LEU 78 H LEU 78 -13.237 4.723 -3.900 570 HA LEU 78 HA LEU 78 -13.993 1.956 -4.466 571 HG LEU 78 HG LEU 78 -11.095 1.651 -6.757 572 HB2 LEU 78 HB2 LEU 78 -12.595 3.303 -6.070 573 HB3 LEU 78 HB3 LEU 78 -11.334 3.338 -4.857 574 HD11 LEU 78 HD11 LEU 78 -9.726 1.551 -4.738 575 HD12 LEU 78 HD12 LEU 78 -10.129 -0.062 -5.326 576 HD13 LEU 78 HD13 LEU 78 -10.978 0.606 -3.932 577 HD21 LEU 78 HD21 LEU 78 -13.182 0.196 -5.145 578 HD22 LEU 78 HD22 LEU 78 -12.260 -0.468 -6.494 579 HD23 LEU 78 HD23 LEU 78 -13.396 0.852 -6.769 580 H ASP 79 H ASP 79 -13.862 0.562 -2.860 581 HA ASP 79 HA ASP 79 -11.916 1.067 -0.699 582 HB2 ASP 79 HB2 ASP 79 -14.291 1.453 -0.038 583 HB3 ASP 79 HB3 ASP 79 -14.643 -0.223 -0.448 584 H ALA 80 H ALA 80 -10.309 -0.338 -1.112 585 HA ALA 80 HA ALA 80 -11.057 -3.093 -1.850 586 HB1 ALA 80 HB1 ALA 80 -9.911 -1.894 -3.646 587 HB2 ALA 80 HB2 ALA 80 -8.944 -3.242 -3.048 588 HB3 ALA 80 HB3 ALA 80 -8.543 -1.592 -2.571 589 H ALA 81 H ALA 81 -10.569 -4.625 -0.432 590 HA ALA 81 HA ALA 81 -8.439 -4.100 1.533 591 HB1 ALA 81 HB1 ALA 81 -10.676 -4.499 2.494 592 HB2 ALA 81 HB2 ALA 81 -9.516 -5.741 2.968 593 HB3 ALA 81 HB3 ALA 81 -10.712 -6.083 1.717 594 H PHE 82 H PHE 82 -6.598 -4.899 0.749 595 HA PHE 82 HA PHE 82 -6.576 -7.439 -0.709 596 HD1 PHE 82 HD2 PHE 82 -5.154 -6.941 -3.339 597 HD2 PHE 82 HD1 PHE 82 -5.429 -3.494 -0.862 598 HE1 PHE 82 HE2 PHE 82 -5.770 -5.586 -5.297 599 HE2 PHE 82 HE1 PHE 82 -6.039 -2.132 -2.815 600 HZ PHE 82 HZ PHE 82 -6.211 -3.176 -5.038 601 HB2 PHE 82 HB2 PHE 82 -4.332 -5.497 -0.093 602 HB3 PHE 82 HB3 PHE 82 -4.198 -6.918 -1.118 603 H THR 83 H THR 83 -6.467 -9.224 0.491 604 HA THR 83 HA THR 83 -5.213 -9.153 3.121 605 HB THR 83 HB THR 83 -6.480 -11.548 1.788 606 HG1 THR 83 HG1 THR 83 -7.751 -9.393 2.146 607 HG21 THR 83 HG21 THR 83 -6.089 -10.789 4.693 608 HG22 THR 83 HG22 THR 83 -5.150 -11.991 3.806 609 HG23 THR 83 HG23 THR 83 -6.865 -12.259 4.106 610 H PHE 84 H PHE 84 -3.067 -9.287 3.099 611 HA PHE 84 HA PHE 84 -1.728 -10.845 1.032 612 HD1 PHE 84 HD1 PHE 84 -0.004 -9.324 -0.468 613 HD2 PHE 84 HD2 PHE 84 -1.714 -6.964 2.629 614 HE1 PHE 84 HE1 PHE 84 -0.324 -7.479 -2.060 615 HE2 PHE 84 HE2 PHE 84 -2.040 -5.111 1.041 616 HZ PHE 84 HZ PHE 84 -1.346 -5.370 -1.309 617 HB2 PHE 84 HB2 PHE 84 -0.649 -8.984 3.156 618 HB3 PHE 84 HB3 PHE 84 0.344 -9.825 1.971 619 H SER 85 H SER 85 -0.130 -12.410 1.510 620 HA SER 85 HA SER 85 -0.855 -14.176 3.630 621 HG SER 85 HG SER 85 -1.093 -14.738 1.230 622 HB2 SER 85 HB2 SER 85 1.620 -14.374 1.915 623 HB3 SER 85 HB3 SER 85 0.691 -15.685 2.645 624 H CYS 86 H CYS 86 1.389 -11.609 3.291 625 HA CYS 86 HA CYS 86 2.568 -12.265 5.894 626 HG CYS 86 HG CYS 86 4.108 -14.345 4.910 627 HB2 CYS 86 HB2 CYS 86 4.115 -11.228 3.505 628 HB3 CYS 86 HB3 CYS 86 4.771 -11.541 5.108 629 H GLN 87 H GLN 87 3.223 -10.434 7.126 630 HA GLN 87 HA GLN 87 1.514 -8.183 6.746 631 HB2 GLN 87 HB2 GLN 87 1.956 -8.865 8.980 632 HB3 GLN 87 HB3 GLN 87 3.695 -8.784 8.735 633 HG2 GLN 87 HG2 GLN 87 3.735 -6.480 8.829 634 HG3 GLN 87 HG3 GLN 87 2.020 -6.324 8.457 635 HE21 GLN 87 HE21 GLN 87 0.508 -6.697 10.098 636 HE22 GLN 87 HE22 GLN 87 0.957 -6.682 11.772 637 H ALA 88 H ALA 88 4.892 -8.828 6.072 638 HA ALA 88 HA ALA 88 5.786 -6.202 5.695 639 HB1 ALA 88 HB1 ALA 88 7.292 -8.119 5.756 640 HB2 ALA 88 HB2 ALA 88 7.535 -7.166 4.293 641 HB3 ALA 88 HB3 ALA 88 6.644 -8.685 4.218 642 H GLU 89 H GLU 89 3.937 -8.330 3.627 643 HA GLU 89 HA GLU 89 4.172 -6.922 1.204 644 HB2 GLU 89 HB2 GLU 89 1.717 -8.451 2.073 645 HB3 GLU 89 HB3 GLU 89 2.327 -8.221 0.442 646 HG2 GLU 89 HG2 GLU 89 3.784 -9.792 2.547 647 HG3 GLU 89 HG3 GLU 89 2.634 -10.506 1.422 648 H MET 90 H MET 90 2.052 -6.550 3.981 649 HA MET 90 HA MET 90 0.152 -4.801 2.877 650 HB2 MET 90 HB2 MET 90 -0.215 -5.870 5.036 651 HB3 MET 90 HB3 MET 90 1.168 -5.023 5.722 652 HG2 MET 90 HG2 MET 90 -0.078 -2.874 5.168 653 HG3 MET 90 HG3 MET 90 -1.489 -3.893 4.894 654 HE1 MET 90 HE1 MET 90 1.370 -4.390 7.535 655 HE2 MET 90 HE2 MET 90 0.699 -3.566 8.943 656 HE3 MET 90 HE3 MET 90 1.154 -2.639 7.514 657 H ILE 91 H ILE 91 3.052 -4.081 4.800 658 HA ILE 91 HA ILE 91 2.698 -1.287 4.671 659 HB ILE 91 HB ILE 91 5.246 -1.346 5.333 660 HG12 ILE 91 HG12 ILE 91 4.383 -4.121 6.152 661 HG13 ILE 91 HG13 ILE 91 5.362 -3.824 4.724 662 HG21 ILE 91 HG21 ILE 91 3.416 -0.640 6.759 663 HG22 ILE 91 HG22 ILE 91 4.548 -1.646 7.661 664 HG23 ILE 91 HG23 ILE 91 3.014 -2.320 7.108 665 HD11 ILE 91 HD11 ILE 91 6.748 -4.474 6.590 666 HD12 ILE 91 HD12 ILE 91 6.099 -3.154 7.561 667 HD13 ILE 91 HD13 ILE 91 7.085 -2.803 6.142 668 H ILE 92 H ILE 92 4.780 -3.484 2.769 669 HA ILE 92 HA ILE 92 6.124 -1.405 1.411 670 HB ILE 92 HB ILE 92 6.760 -3.115 -0.262 671 HG12 ILE 92 HG12 ILE 92 6.122 -5.549 0.620 672 HG13 ILE 92 HG13 ILE 92 4.671 -4.699 1.139 673 HG21 ILE 92 HG21 ILE 92 8.073 -2.808 1.750 674 HG22 ILE 92 HG22 ILE 92 8.075 -4.502 1.258 675 HG23 ILE 92 HG23 ILE 92 7.064 -3.975 2.604 676 HD11 ILE 92 HD11 ILE 92 4.345 -5.709 -1.031 677 HD12 ILE 92 HD12 ILE 92 5.741 -4.842 -1.672 678 HD13 ILE 92 HD13 ILE 92 4.305 -3.951 -1.166 679 H PHE 93 H PHE 93 3.051 -2.941 0.904 680 HA PHE 93 HA PHE 93 2.642 -2.014 -1.757 681 HD1 PHE 93 HD1 PHE 93 1.683 -3.511 -3.224 682 HD2 PHE 93 HD2 PHE 93 -1.597 -2.452 -0.725 683 HE1 PHE 93 HE1 PHE 93 0.176 -3.607 -5.167 684 HE2 PHE 93 HE2 PHE 93 -3.105 -2.543 -2.663 685 HZ PHE 93 HZ PHE 93 -2.219 -3.121 -4.885 686 HB2 PHE 93 HB2 PHE 93 1.468 -3.941 -0.527 687 HB3 PHE 93 HB3 PHE 93 0.471 -2.699 0.217 688 H GLU 94 H GLU 94 1.393 -0.953 1.394 689 HA GLU 94 HA GLU 94 -0.069 1.266 0.587 690 HB2 GLU 94 HB2 GLU 94 1.467 0.792 3.144 691 HB3 GLU 94 HB3 GLU 94 0.332 2.112 2.915 692 HG2 GLU 94 HG2 GLU 94 -0.476 -0.748 2.557 693 HG3 GLU 94 HG3 GLU 94 -0.471 0.029 4.137 694 H LEU 95 H LEU 95 3.342 1.046 1.504 695 HA LEU 95 HA LEU 95 3.849 3.818 1.440 696 HG LEU 95 HG LEU 95 4.392 1.849 3.428 697 HB2 LEU 95 HB2 LEU 95 5.673 1.427 1.259 698 HB3 LEU 95 HB3 LEU 95 6.250 3.077 1.399 699 HD11 LEU 95 HD11 LEU 95 6.353 1.453 4.825 700 HD12 LEU 95 HD12 LEU 95 7.401 1.944 3.494 701 HD13 LEU 95 HD13 LEU 95 6.410 0.493 3.346 702 HD21 LEU 95 HD21 LEU 95 6.224 4.240 3.462 703 HD22 LEU 95 HD22 LEU 95 5.308 3.647 4.846 704 HD23 LEU 95 HD23 LEU 95 4.460 4.261 3.427 705 H SER 96 H SER 96 4.785 1.297 -0.934 706 HA SER 96 HA SER 96 5.645 2.861 -3.000 707 HG SER 96 HG SER 96 5.512 -0.400 -2.219 708 HB2 SER 96 HB2 SER 96 3.862 0.429 -3.281 709 HB3 SER 96 HB3 SER 96 4.951 1.074 -4.508 710 H LEU 97 H LEU 97 2.254 2.169 -2.164 711 HA LEU 97 HA LEU 97 1.120 3.382 -4.456 712 HG LEU 97 HG LEU 97 0.440 0.816 -2.560 713 HB2 LEU 97 HB2 LEU 97 -0.116 3.004 -1.728 714 HB3 LEU 97 HB3 LEU 97 -0.990 3.394 -3.194 715 HD11 LEU 97 HD11 LEU 97 -1.797 -0.142 -2.758 716 HD12 LEU 97 HD12 LEU 97 -2.462 1.468 -3.039 717 HD13 LEU 97 HD13 LEU 97 -1.719 1.078 -1.486 718 HD21 LEU 97 HD21 LEU 97 -0.335 0.026 -4.740 719 HD22 LEU 97 HD22 LEU 97 0.777 1.383 -4.914 720 HD23 LEU 97 HD23 LEU 97 -0.957 1.634 -5.110 721 H ARG 98 H ARG 98 2.122 4.657 -1.357 722 HA ARG 98 HA ARG 98 0.636 7.019 -1.311 723 HE ARG 98 HE ARG 98 1.205 5.951 2.474 724 HB2 ARG 98 HB2 ARG 98 2.312 5.867 0.422 725 HB3 ARG 98 HB3 ARG 98 3.414 7.064 -0.243 726 HG2 ARG 98 HG2 ARG 98 2.418 7.986 1.710 727 HG3 ARG 98 HG3 ARG 98 1.734 8.821 0.314 728 HD2 ARG 98 HD2 ARG 98 0.005 8.260 1.950 729 HD3 ARG 98 HD3 ARG 98 -0.253 7.411 0.426 730 HH11 ARG 98 HH11 ARG 98 -1.897 6.566 0.963 731 HH12 ARG 98 HH12 ARG 98 -2.606 5.091 1.535 732 HH21 ARG 98 HH21 ARG 98 0.303 4.006 3.182 733 HH22 ARG 98 HH22 ARG 98 -1.336 3.587 2.756 734 H SER 99 H SER 99 3.890 6.422 -2.598 735 HA SER 99 HA SER 99 3.991 9.115 -3.706 736 HG SER 99 HG SER 99 6.793 7.615 -1.978 737 HB2 SER 99 HB2 SER 99 6.048 6.890 -3.830 738 HB3 SER 99 HB3 SER 99 6.308 8.577 -4.279 739 H LEU 100 H LEU 100 2.298 6.688 -4.657 740 HA LEU 100 HA LEU 100 3.187 6.654 -7.460 741 HG LEU 100 HG LEU 100 1.961 4.997 -8.853 742 HB2 LEU 100 HB2 LEU 100 2.960 4.488 -6.369 743 HB3 LEU 100 HB3 LEU 100 1.287 4.828 -5.995 744 HD11 LEU 100 HD11 LEU 100 3.371 3.105 -8.210 745 HD12 LEU 100 HD12 LEU 100 1.983 2.566 -9.157 746 HD13 LEU 100 HD13 LEU 100 1.995 2.347 -7.407 747 HD21 LEU 100 HD21 LEU 100 -0.323 5.196 -7.984 748 HD22 LEU 100 HD22 LEU 100 -0.201 3.571 -7.310 749 HD23 LEU 100 HD23 LEU 100 -0.154 3.808 -9.056 750 H ALA 101 H ALA 101 0.400 7.186 -5.385 751 HA ALA 101 HA ALA 101 -1.513 7.783 -7.329 752 HB1 ALA 101 HB1 ALA 101 -2.684 9.010 -5.559 753 HB2 ALA 101 HB2 ALA 101 -1.233 8.950 -4.560 754 HB3 ALA 101 HB3 ALA 101 -2.076 7.459 -4.980 755 H LEU 102 H LEU 102 1.106 9.647 -6.032 756 HA LEU 102 HA LEU 102 2.117 11.569 -6.628 757 HG LEU 102 HG LEU 102 2.093 9.444 -8.812 758 HB2 LEU 102 HB2 LEU 102 0.447 11.262 -9.112 759 HB3 LEU 102 HB3 LEU 102 1.730 12.436 -8.915 760 HD11 LEU 102 HD11 LEU 102 3.242 9.721 -10.951 761 HD12 LEU 102 HD12 LEU 102 2.825 11.435 -10.956 762 HD13 LEU 102 HD13 LEU 102 1.553 10.218 -11.058 763 HD21 LEU 102 HD21 LEU 102 4.116 11.679 -8.765 764 HD22 LEU 102 HD22 LEU 102 4.478 9.954 -8.822 765 HD23 LEU 102 HD23 LEU 102 3.686 10.643 -7.405 766 H GLU 103 H GLU 103 -1.328 11.573 -6.451 767 HA GLU 103 HA GLU 103 -1.936 14.257 -6.782 768 HB2 GLU 103 HB2 GLU 103 -3.123 12.201 -4.928 769 HB3 GLU 103 HB3 GLU 103 -3.794 13.817 -5.111 770 HG2 GLU 103 HG2 GLU 103 -3.479 11.777 -7.299 771 HG3 GLU 103 HG3 GLU 103 -4.982 12.197 -6.475 772 H HIS 104 H HIS 104 -1.150 12.625 -3.709 773 HA HIS 104 HA HIS 104 -0.622 15.167 -2.438 774 HD1 HIS 104 HD1 HIS 104 -2.038 14.513 0.757 775 HD2 HIS 104 HD2 HIS 104 2.037 14.003 0.091 776 HE1 HIS 104 HE1 HIS 104 -0.891 15.550 2.742 777 HE2 HIS 104 HE2 HIS 104 1.572 15.370 2.238 778 HB2 HIS 104 HB2 HIS 104 -1.591 13.137 -1.248 779 HB3 HIS 104 HB3 HIS 104 0.008 12.412 -1.361 780 H HIS 105 H HIS 105 0.954 15.696 -4.160 781 HA HIS 105 HA HIS 105 3.398 14.289 -4.397 782 HD1 HIS 105 HD1 HIS 105 5.009 18.297 -5.532 783 HD2 HIS 105 HD2 HIS 105 5.003 14.303 -6.695 784 HE1 HIS 105 HE1 HIS 105 7.244 17.905 -6.620 785 HE2 HIS 105 HE2 HIS 105 7.238 15.467 -7.284 786 HB2 HIS 105 HB2 HIS 105 2.485 15.855 -6.116 787 HB3 HIS 105 HB3 HIS 105 2.854 17.198 -5.040 788 H HIS 106 H HIS 106 5.098 14.260 -3.095 789 HA HIS 106 HA HIS 106 5.056 16.019 -0.767 790 HD1 HIS 106 HD1 HIS 106 8.765 13.712 0.252 791 HD2 HIS 106 HD2 HIS 106 5.332 15.399 1.891 792 HE1 HIS 106 HE1 HIS 106 9.384 14.385 2.601 793 HE2 HIS 106 HE2 HIS 106 7.225 15.183 3.638 794 HB2 HIS 106 HB2 HIS 106 5.318 13.539 -0.517 795 HB3 HIS 106 HB3 HIS 106 6.874 13.669 -1.326 796 H HIS 107 H HIS 107 5.726 17.938 -1.804 797 HA HIS 107 HA HIS 107 8.602 17.986 -2.467 798 HD1 HIS 107 HD1 HIS 107 7.518 22.171 -3.907 799 HD2 HIS 107 HD2 HIS 107 10.136 18.977 -4.408 800 HE1 HIS 107 HE1 HIS 107 9.644 23.169 -4.799 801 HE2 HIS 107 HE2 HIS 107 11.130 21.197 -5.300 802 HB2 HIS 107 HB2 HIS 107 7.038 18.739 -4.280 803 HB3 HIS 107 HB3 HIS 107 6.494 20.032 -3.218 804 H HIS 108 H HIS 108 6.425 18.553 -0.102 805 HA HIS 108 HA HIS 108 7.523 20.927 1.065 806 HD1 HIS 108 HD1 HIS 108 5.434 22.279 3.222 807 HD2 HIS 108 HD2 HIS 108 6.923 18.703 4.738 808 HE1 HIS 108 HE1 HIS 108 5.790 22.674 5.680 809 HE2 HIS 108 HE2 HIS 108 6.832 20.552 6.545 810 HB2 HIS 108 HB2 HIS 108 5.244 20.313 1.594 811 HB3 HIS 108 HB3 HIS 108 5.753 18.730 2.162 812 H HIS 109 H HIS 109 9.498 21.001 1.919 813 HA HIS 109 HA HIS 109 10.721 18.579 2.954 814 HD1 HIS 109 HD1 HIS 109 11.434 22.343 0.760 815 HD2 HIS 109 HD2 HIS 109 12.627 22.332 4.748 816 HE1 HIS 109 HE1 HIS 109 11.644 24.762 1.415 817 HE2 HIS 109 HE2 HIS 109 12.534 24.730 3.774 818 HB2 HIS 109 HB2 HIS 109 12.757 19.928 3.247 819 HB3 HIS 109 HB3 HIS 109 12.144 20.040 1.606 Start of MODEL 20 1 HA MET 1 HA MET 1 8.276 -40.906 -32.082 2 H1 MET 1 H1 MET 1 10.094 -43.216 -32.399 3 H2 MET 1 H2 MET 1 9.787 -41.993 -33.531 4 H3 MET 1 H3 MET 1 8.566 -43.086 -33.119 5 HB2 MET 1 HB2 MET 1 8.825 -43.197 -30.184 6 HB3 MET 1 HB3 MET 1 7.926 -41.746 -29.773 7 HG2 MET 1 HG2 MET 1 6.345 -43.446 -30.204 8 HG3 MET 1 HG3 MET 1 6.302 -42.343 -31.577 9 HE1 MET 1 HE1 MET 1 8.143 -46.572 -31.593 10 HE2 MET 1 HE2 MET 1 7.296 -45.836 -30.232 11 HE3 MET 1 HE3 MET 1 8.890 -45.247 -30.702 12 H ALA 2 H ALA 2 10.140 -39.628 -32.554 13 HA ALA 2 HA ALA 2 11.973 -39.451 -30.256 14 HB1 ALA 2 HB1 ALA 2 13.792 -38.845 -31.787 15 HB2 ALA 2 HB2 ALA 2 12.724 -39.136 -33.161 16 HB3 ALA 2 HB3 ALA 2 13.182 -40.469 -32.102 17 H MET 3 H MET 3 11.144 -37.703 -29.276 18 HA MET 3 HA MET 3 11.552 -35.170 -30.590 19 HB2 MET 3 HB2 MET 3 9.319 -34.278 -30.067 20 HB3 MET 3 HB3 MET 3 9.252 -35.586 -31.234 21 HG2 MET 3 HG2 MET 3 8.666 -35.924 -28.299 22 HG3 MET 3 HG3 MET 3 7.440 -35.592 -29.520 23 HE1 MET 3 HE1 MET 3 7.239 -38.081 -27.552 24 HE2 MET 3 HE2 MET 3 6.712 -39.325 -28.687 25 HE3 MET 3 HE3 MET 3 6.057 -37.690 -28.799 26 H LYS 4 H LYS 4 13.207 -34.998 -29.056 27 HA LYS 4 HA LYS 4 12.285 -34.232 -26.399 28 HB2 LYS 4 HB2 LYS 4 14.048 -35.613 -25.295 29 HB3 LYS 4 HB3 LYS 4 12.764 -36.556 -26.034 30 HG2 LYS 4 HG2 LYS 4 15.306 -36.039 -27.526 31 HG3 LYS 4 HG3 LYS 4 15.226 -37.309 -26.305 32 HD2 LYS 4 HD2 LYS 4 13.482 -38.436 -27.503 33 HD3 LYS 4 HD3 LYS 4 13.316 -37.084 -28.626 34 HE2 LYS 4 HE2 LYS 4 14.569 -39.038 -29.541 35 HE3 LYS 4 HE3 LYS 4 15.460 -37.517 -29.578 36 HZ1 LYS 4 HZ1 LYS 4 16.740 -39.507 -28.813 37 HZ2 LYS 4 HZ2 LYS 4 15.783 -39.516 -27.410 38 HZ3 LYS 4 HZ3 LYS 4 16.772 -38.182 -27.757 39 H ASP 5 H ASP 5 12.870 -32.148 -26.762 40 HA ASP 5 HA ASP 5 15.550 -31.465 -26.150 41 HB2 ASP 5 HB2 ASP 5 15.823 -31.997 -28.583 42 HB3 ASP 5 HB3 ASP 5 14.666 -30.721 -28.951 43 H VAL 6 H VAL 6 15.376 -29.693 -24.954 44 HA VAL 6 HA VAL 6 12.850 -28.245 -25.054 45 HB VAL 6 HB VAL 6 13.524 -27.312 -22.862 46 HG11 VAL 6 HG11 VAL 6 13.659 -30.319 -23.035 47 HG12 VAL 6 HG12 VAL 6 12.184 -29.354 -23.000 48 HG13 VAL 6 HG13 VAL 6 13.254 -29.380 -21.598 49 HG21 VAL 6 HG21 VAL 6 15.458 -28.270 -21.695 50 HG22 VAL 6 HG22 VAL 6 15.941 -27.368 -23.133 51 HG23 VAL 6 HG23 VAL 6 15.908 -29.131 -23.166 52 H VAL 7 H VAL 7 12.622 -26.159 -25.518 53 HA VAL 7 HA VAL 7 15.055 -24.570 -26.009 54 HB VAL 7 HB VAL 7 13.987 -24.924 -28.129 55 HG11 VAL 7 HG11 VAL 7 11.669 -24.299 -28.580 56 HG12 VAL 7 HG12 VAL 7 11.445 -23.903 -26.877 57 HG13 VAL 7 HG13 VAL 7 11.774 -25.568 -27.356 58 HG21 VAL 7 HG21 VAL 7 13.360 -22.163 -27.094 59 HG22 VAL 7 HG22 VAL 7 13.428 -22.620 -28.795 60 HG23 VAL 7 HG23 VAL 7 14.883 -22.702 -27.802 61 H ASP 8 H ASP 8 15.335 -23.100 -24.495 62 HA ASP 8 HA ASP 8 13.308 -21.252 -23.749 63 HB2 ASP 8 HB2 ASP 8 12.445 -22.976 -22.342 64 HB3 ASP 8 HB3 ASP 8 14.053 -23.409 -21.772 65 H LYS 9 H LYS 9 14.346 -19.421 -23.467 66 HA LYS 9 HA LYS 9 16.765 -19.413 -21.807 67 HB2 LYS 9 HB2 LYS 9 17.456 -19.240 -24.190 68 HB3 LYS 9 HB3 LYS 9 16.437 -17.820 -24.365 69 HG2 LYS 9 HG2 LYS 9 17.803 -16.656 -22.679 70 HG3 LYS 9 HG3 LYS 9 18.854 -18.071 -22.583 71 HD2 LYS 9 HD2 LYS 9 19.381 -17.831 -24.968 72 HD3 LYS 9 HD3 LYS 9 18.347 -16.405 -25.048 73 HE2 LYS 9 HE2 LYS 9 19.781 -15.282 -23.408 74 HE3 LYS 9 HE3 LYS 9 20.822 -16.704 -23.350 75 HZ1 LYS 9 HZ1 LYS 9 21.274 -16.393 -25.723 76 HZ2 LYS 9 HZ2 LYS 9 21.761 -15.052 -24.805 77 HZ3 LYS 9 HZ3 LYS 9 20.331 -14.981 -25.720 78 H CYS 10 H CYS 10 15.301 -18.788 -20.149 79 HA CYS 10 HA CYS 10 13.896 -16.254 -20.579 80 HG CYS 10 HG CYS 10 13.501 -20.125 -19.191 81 HB2 CYS 10 HB2 CYS 10 12.762 -16.928 -18.360 82 HB3 CYS 10 HB3 CYS 10 12.345 -17.818 -19.817 83 H SER 11 H SER 11 15.953 -15.125 -20.406 84 HA SER 11 HA SER 11 16.915 -14.773 -17.675 85 HG SER 11 HG SER 11 18.542 -15.829 -18.999 86 HB2 SER 11 HB2 SER 11 17.821 -13.407 -20.226 87 HB3 SER 11 HB3 SER 11 18.637 -13.354 -18.665 88 H THR 12 H THR 12 15.009 -13.864 -16.778 89 HA THR 12 HA THR 12 14.387 -11.160 -17.748 90 HB THR 12 HB THR 12 12.365 -13.161 -16.721 91 HG1 THR 12 HG1 THR 12 13.345 -12.551 -19.255 92 HG21 THR 12 HG21 THR 12 10.709 -11.523 -17.491 93 HG22 THR 12 HG22 THR 12 12.010 -10.423 -17.952 94 HG23 THR 12 HG23 THR 12 11.758 -10.831 -16.254 95 H LYS 13 H LYS 13 15.101 -9.828 -16.271 96 HA LYS 13 HA LYS 13 13.805 -9.615 -13.774 97 HB2 LYS 13 HB2 LYS 13 15.439 -11.337 -13.100 98 HB3 LYS 13 HB3 LYS 13 16.751 -10.315 -13.668 99 HG2 LYS 13 HG2 LYS 13 16.596 -10.178 -11.271 100 HG3 LYS 13 HG3 LYS 13 16.134 -8.629 -11.976 101 HD2 LYS 13 HD2 LYS 13 14.604 -9.148 -10.203 102 HD3 LYS 13 HD3 LYS 13 13.752 -9.298 -11.740 103 HE2 LYS 13 HE2 LYS 13 13.171 -11.130 -10.255 104 HE3 LYS 13 HE3 LYS 13 14.046 -11.726 -11.664 105 HZ1 LYS 13 HZ1 LYS 13 15.351 -11.178 -9.052 106 HZ2 LYS 13 HZ2 LYS 13 16.002 -12.008 -10.380 107 HZ3 LYS 13 HZ3 LYS 13 14.736 -12.698 -9.484 108 H GLY 14 H GLY 14 13.323 -7.569 -14.371 109 HA2 GLY 14 HA2 GLY 14 15.567 -5.683 -14.537 110 HA3 GLY 14 HA3 GLY 14 14.424 -5.733 -15.871 111 H CYS 15 H CYS 15 14.250 -5.689 -12.321 112 HA CYS 15 HA CYS 15 12.490 -3.353 -12.551 113 HG CYS 15 HG CYS 15 11.539 -7.347 -10.730 114 HB2 CYS 15 HB2 CYS 15 11.363 -4.202 -10.449 115 HB3 CYS 15 HB3 CYS 15 11.046 -5.136 -11.908 116 H ALA 16 H ALA 16 13.159 -1.628 -11.453 117 HA ALA 16 HA ALA 16 15.300 -2.023 -9.467 118 HB1 ALA 16 HB1 ALA 16 16.080 -0.859 -11.465 119 HB2 ALA 16 HB2 ALA 16 16.115 0.205 -10.059 120 HB3 ALA 16 HB3 ALA 16 14.825 0.362 -11.251 121 H ILE 17 H ILE 17 13.931 -2.193 -7.685 122 HA ILE 17 HA ILE 17 13.103 0.276 -6.542 123 HB ILE 17 HB ILE 17 11.171 -0.034 -7.990 124 HG12 ILE 17 HG12 ILE 17 9.377 -0.053 -6.265 125 HG13 ILE 17 HG13 ILE 17 10.562 -0.596 -5.080 126 HG21 ILE 17 HG21 ILE 17 11.254 -2.419 -8.319 127 HG22 ILE 17 HG22 ILE 17 9.662 -1.953 -7.718 128 HG23 ILE 17 HG23 ILE 17 10.832 -2.699 -6.629 129 HD11 ILE 17 HD11 ILE 17 10.160 1.798 -4.916 130 HD12 ILE 17 HD12 ILE 17 10.658 2.002 -6.595 131 HD13 ILE 17 HD13 ILE 17 11.824 1.459 -5.388 132 H ASP 18 H ASP 18 13.337 0.120 -4.415 133 HA ASP 18 HA ASP 18 12.628 -2.350 -3.040 134 HB2 ASP 18 HB2 ASP 18 15.006 -2.681 -3.436 135 HB3 ASP 18 HB3 ASP 18 15.362 -1.076 -2.805 136 H ILE 19 H ILE 19 11.045 -1.474 -1.837 137 HA ILE 19 HA ILE 19 11.804 0.776 -0.123 138 HB ILE 19 HB ILE 19 9.292 0.904 0.351 139 HG12 ILE 19 HG12 ILE 19 9.171 -0.614 -2.261 140 HG13 ILE 19 HG13 ILE 19 8.691 -1.256 -0.695 141 HG21 ILE 19 HG21 ILE 19 10.489 2.598 -0.892 142 HG22 ILE 19 HG22 ILE 19 8.914 2.311 -1.630 143 HG23 ILE 19 HG23 ILE 19 10.367 1.635 -2.365 144 HD11 ILE 19 HD11 ILE 19 6.778 -0.556 -2.018 145 HD12 ILE 19 HD12 ILE 19 7.428 1.080 -2.109 146 HD13 ILE 19 HD13 ILE 19 6.926 0.416 -0.555 147 H GLY 20 H GLY 20 12.912 -0.393 1.387 148 HA2 GLY 20 HA2 GLY 20 11.962 -2.795 2.559 149 HA3 GLY 20 HA3 GLY 20 13.259 -1.786 3.180 150 H THR 21 H THR 21 11.338 0.525 3.188 151 HA THR 21 HA THR 21 10.182 1.667 4.741 152 HB THR 21 HB THR 21 8.398 0.347 3.546 153 HG1 THR 21 HG1 THR 21 6.822 0.792 5.325 154 HG21 THR 21 HG21 THR 21 8.856 -1.875 4.484 155 HG22 THR 21 HG22 THR 21 7.193 -1.376 4.783 156 HG23 THR 21 HG23 THR 21 8.383 -1.297 6.081 157 H VAL 22 H VAL 22 8.694 0.977 6.949 158 HA VAL 22 HA VAL 22 10.739 -0.052 8.794 159 HB VAL 22 HB VAL 22 9.650 1.319 10.537 160 HG11 VAL 22 HG11 VAL 22 11.574 2.200 9.314 161 HG12 VAL 22 HG12 VAL 22 10.463 3.489 9.775 162 HG13 VAL 22 HG13 VAL 22 10.489 2.900 8.112 163 HG21 VAL 22 HG21 VAL 22 8.033 3.063 9.879 164 HG22 VAL 22 HG22 VAL 22 7.404 1.434 9.628 165 HG23 VAL 22 HG23 VAL 22 7.986 2.376 8.254 166 H ILE 23 H ILE 23 9.943 -1.269 10.627 167 HA ILE 23 HA ILE 23 7.815 -3.039 9.817 168 HB ILE 23 HB ILE 23 9.448 -3.066 12.362 169 HG12 ILE 23 HG12 ILE 23 9.789 -4.622 9.788 170 HG13 ILE 23 HG13 ILE 23 10.819 -3.299 10.319 171 HG21 ILE 23 HG21 ILE 23 8.716 -5.400 12.544 172 HG22 ILE 23 HG22 ILE 23 7.710 -5.192 11.109 173 HG23 ILE 23 HG23 ILE 23 7.346 -4.288 12.580 174 HD11 ILE 23 HD11 ILE 23 11.883 -5.425 10.729 175 HD12 ILE 23 HD12 ILE 23 10.497 -5.965 11.676 176 HD13 ILE 23 HD13 ILE 23 11.500 -4.637 12.259 177 H ASP 24 H ASP 24 6.051 -1.587 9.856 178 HA ASP 24 HA ASP 24 5.199 -0.290 12.248 179 HB2 ASP 24 HB2 ASP 24 4.503 0.336 9.911 180 HB3 ASP 24 HB3 ASP 24 3.490 -1.102 9.887 181 H ASN 25 H ASN 25 3.807 -3.048 10.509 182 HA ASN 25 HA ASN 25 3.131 -5.091 11.141 183 HB2 ASN 25 HB2 ASN 25 5.257 -5.132 12.402 184 HB3 ASN 25 HB3 ASN 25 4.414 -4.484 13.807 185 HD21 ASN 25 HD21 ASN 25 3.176 -6.846 11.519 186 HD22 ASN 25 HD22 ASN 25 3.044 -8.144 12.649 187 H ASP 26 H ASP 26 0.976 -5.156 11.176 188 HA ASP 26 HA ASP 26 -0.211 -5.120 13.833 189 HB2 ASP 26 HB2 ASP 26 -0.727 -2.876 12.875 190 HB3 ASP 26 HB3 ASP 26 -1.540 -3.671 11.528 191 H ASN 27 H ASN 27 -1.575 -5.281 10.562 192 HA ASN 27 HA ASN 27 -2.374 -8.068 11.105 193 HB2 ASN 27 HB2 ASN 27 -4.174 -6.187 10.963 194 HB3 ASN 27 HB3 ASN 27 -3.846 -6.217 9.235 195 HD21 ASN 27 HD21 ASN 27 -5.178 -7.911 11.932 196 HD22 ASN 27 HD22 ASN 27 -6.003 -9.133 11.022 197 H CYS 28 H CYS 28 -3.059 -8.991 8.720 198 HA CYS 28 HA CYS 28 -0.802 -8.395 6.921 199 HG CYS 28 HG CYS 28 0.319 -12.050 7.540 200 HB2 CYS 28 HB2 CYS 28 -2.487 -10.902 7.132 201 HB3 CYS 28 HB3 CYS 28 -1.194 -10.649 5.965 202 H THR 29 H THR 29 -3.942 -7.706 7.387 203 HA THR 29 HA THR 29 -4.560 -7.584 4.513 204 HB THR 29 HB THR 29 -6.500 -7.619 6.837 205 HG1 THR 29 HG1 THR 29 -5.481 -9.659 6.426 206 HG21 THR 29 HG21 THR 29 -7.350 -6.355 4.927 207 HG22 THR 29 HG22 THR 29 -8.220 -7.878 5.102 208 HG23 THR 29 HG23 THR 29 -6.983 -7.708 3.856 209 H SER 30 H SER 30 -4.443 -5.613 3.685 210 HA SER 30 HA SER 30 -4.775 -3.294 5.453 211 HG SER 30 HG SER 30 -2.877 -1.280 3.977 212 HB2 SER 30 HB2 SER 30 -2.712 -3.374 4.063 213 HB3 SER 30 HB3 SER 30 -3.715 -3.401 2.611 214 H LYS 31 H LYS 31 -6.585 -2.118 5.359 215 HA LYS 31 HA LYS 31 -8.345 -2.514 3.043 216 HB2 LYS 31 HB2 LYS 31 -9.073 -1.473 5.783 217 HB3 LYS 31 HB3 LYS 31 -10.184 -1.730 4.445 218 HG2 LYS 31 HG2 LYS 31 -9.457 -4.167 4.528 219 HG3 LYS 31 HG3 LYS 31 -8.745 -3.772 6.096 220 HD2 LYS 31 HD2 LYS 31 -11.010 -2.811 6.702 221 HD3 LYS 31 HD3 LYS 31 -11.624 -3.610 5.260 222 HE2 LYS 31 HE2 LYS 31 -10.828 -5.767 6.121 223 HE3 LYS 31 HE3 LYS 31 -10.262 -4.964 7.585 224 HZ1 LYS 31 HZ1 LYS 31 -12.395 -5.942 7.994 225 HZ2 LYS 31 HZ2 LYS 31 -13.073 -5.169 6.645 226 HZ3 LYS 31 HZ3 LYS 31 -12.576 -4.255 7.984 227 H PHE 32 H PHE 32 -8.929 -0.828 1.839 228 HA PHE 32 HA PHE 32 -8.143 1.864 2.624 229 HD1 PHE 32 HD2 PHE 32 -5.651 3.228 2.241 230 HD2 PHE 32 HD1 PHE 32 -7.438 2.205 -1.483 231 HE1 PHE 32 HE2 PHE 32 -5.077 5.453 1.356 232 HE2 PHE 32 HE1 PHE 32 -6.865 4.424 -2.373 233 HZ PHE 32 HZ PHE 32 -5.686 6.050 -0.952 234 HB2 PHE 32 HB2 PHE 32 -6.108 0.885 1.607 235 HB3 PHE 32 HB3 PHE 32 -7.021 0.529 0.146 236 H SER 33 H SER 33 -9.592 3.293 1.918 237 HA SER 33 HA SER 33 -11.002 2.723 -0.574 238 HG SER 33 HG SER 33 -13.006 4.532 2.265 239 HB2 SER 33 HB2 SER 33 -13.112 3.586 0.414 240 HB3 SER 33 HB3 SER 33 -12.559 2.100 1.180 241 H ARG 34 H ARG 34 -11.079 4.387 -1.929 242 HA ARG 34 HA ARG 34 -10.517 7.076 -0.876 243 HE ARG 34 HE ARG 34 -8.543 10.353 -3.641 244 HB2 ARG 34 HB2 ARG 34 -8.436 6.276 -1.827 245 HB3 ARG 34 HB3 ARG 34 -9.253 5.778 -3.299 246 HG2 ARG 34 HG2 ARG 34 -8.002 7.825 -3.646 247 HG3 ARG 34 HG3 ARG 34 -9.730 8.109 -3.835 248 HD2 ARG 34 HD2 ARG 34 -9.744 8.910 -1.450 249 HD3 ARG 34 HD3 ARG 34 -7.982 8.849 -1.495 250 HH11 ARG 34 HH11 ARG 34 -9.584 10.571 -0.300 251 HH12 ARG 34 HH12 ARG 34 -9.906 12.275 -0.385 252 HH21 ARG 34 HH21 ARG 34 -8.924 12.601 -3.741 253 HH22 ARG 34 HH22 ARG 34 -9.503 13.435 -2.323 254 H PHE 35 H PHE 35 -11.580 8.749 -1.888 255 HA PHE 35 HA PHE 35 -13.900 7.948 -3.431 256 HD1 PHE 35 HD2 PHE 35 -16.092 8.582 -1.695 257 HD2 PHE 35 HD1 PHE 35 -12.487 10.253 -0.179 258 HE1 PHE 35 HE2 PHE 35 -16.746 7.912 0.581 259 HE2 PHE 35 HE1 PHE 35 -13.131 9.586 2.100 260 HZ PHE 35 HZ PHE 35 -15.261 8.411 2.481 261 HB2 PHE 35 HB2 PHE 35 -13.154 10.692 -2.404 262 HB3 PHE 35 HB3 PHE 35 -14.728 10.184 -3.007 263 H PHE 36 H PHE 36 -14.157 8.271 -5.536 264 HA PHE 36 HA PHE 36 -12.216 9.995 -6.929 265 HD1 PHE 36 HD2 PHE 36 -9.994 8.972 -8.006 266 HD2 PHE 36 HD1 PHE 36 -12.331 5.779 -6.449 267 HE1 PHE 36 HE2 PHE 36 -7.963 7.950 -7.064 268 HE2 PHE 36 HE1 PHE 36 -10.307 4.756 -5.501 269 HZ PHE 36 HZ PHE 36 -8.119 5.844 -5.802 270 HB2 PHE 36 HB2 PHE 36 -13.319 7.336 -7.873 271 HB3 PHE 36 HB3 PHE 36 -12.325 8.418 -8.847 272 H ALA 37 H ALA 37 -13.081 10.501 -9.224 273 HA ALA 37 HA ALA 37 -15.431 12.014 -8.846 274 HB1 ALA 37 HB1 ALA 37 -15.192 12.644 -11.182 275 HB2 ALA 37 HB2 ALA 37 -14.017 11.350 -11.425 276 HB3 ALA 37 HB3 ALA 37 -13.634 12.701 -10.357 277 H THR 38 H THR 38 -14.840 9.284 -11.061 278 HA THR 38 HA THR 38 -17.739 8.750 -10.983 279 HB THR 38 HB THR 38 -17.517 7.924 -13.326 280 HG1 THR 38 HG1 THR 38 -15.491 8.889 -14.363 281 HG21 THR 38 HG21 THR 38 -18.325 10.211 -12.866 282 HG22 THR 38 HG22 THR 38 -17.434 10.116 -14.385 283 HG23 THR 38 HG23 THR 38 -16.665 10.804 -12.954 284 H ARG 39 H ARG 39 -18.266 6.456 -11.604 285 HA ARG 39 HA ARG 39 -16.732 4.615 -10.110 286 HE ARG 39 HE ARG 39 -20.459 3.960 -14.708 287 HB2 ARG 39 HB2 ARG 39 -18.216 2.891 -11.138 288 HB3 ARG 39 HB3 ARG 39 -19.076 4.209 -10.375 289 HG2 ARG 39 HG2 ARG 39 -20.275 3.898 -12.309 290 HG3 ARG 39 HG3 ARG 39 -19.186 5.206 -12.754 291 HD2 ARG 39 HD2 ARG 39 -17.737 3.661 -13.918 292 HD3 ARG 39 HD3 ARG 39 -18.714 2.292 -13.383 293 HH11 ARG 39 HH11 ARG 39 -17.507 2.220 -15.546 294 HH12 ARG 39 HH12 ARG 39 -17.946 2.075 -17.228 295 HH21 ARG 39 HH21 ARG 39 -21.018 3.725 -16.896 296 HH22 ARG 39 HH22 ARG 39 -19.941 2.907 -17.984 297 H GLU 40 H GLU 40 -16.573 5.747 -13.332 298 HA GLU 40 HA GLU 40 -15.054 3.736 -14.568 299 HB2 GLU 40 HB2 GLU 40 -14.947 6.727 -14.955 300 HB3 GLU 40 HB3 GLU 40 -14.345 5.523 -16.080 301 HG2 GLU 40 HG2 GLU 40 -16.570 4.721 -16.487 302 HG3 GLU 40 HG3 GLU 40 -17.220 5.786 -15.245 303 H GLU 41 H GLU 41 -14.137 6.633 -12.783 304 HA GLU 41 HA GLU 41 -11.357 6.343 -12.871 305 HB2 GLU 41 HB2 GLU 41 -13.138 7.607 -10.780 306 HB3 GLU 41 HB3 GLU 41 -11.392 7.793 -10.823 307 HG2 GLU 41 HG2 GLU 41 -13.206 8.590 -13.080 308 HG3 GLU 41 HG3 GLU 41 -12.693 9.686 -11.798 309 H ALA 42 H ALA 42 -13.780 4.786 -10.948 310 HA ALA 42 HA ALA 42 -11.981 3.796 -8.940 311 HB1 ALA 42 HB1 ALA 42 -14.786 2.895 -9.605 312 HB2 ALA 42 HB2 ALA 42 -14.355 4.154 -8.447 313 HB3 ALA 42 HB3 ALA 42 -13.878 2.483 -8.149 314 H GLU 43 H GLU 43 -13.556 2.453 -11.806 315 HA GLU 43 HA GLU 43 -12.485 -0.145 -11.656 316 HB2 GLU 43 HB2 GLU 43 -13.157 1.431 -14.151 317 HB3 GLU 43 HB3 GLU 43 -13.030 -0.319 -14.025 318 HG2 GLU 43 HG2 GLU 43 -14.969 -0.391 -12.588 319 HG3 GLU 43 HG3 GLU 43 -15.066 1.370 -12.592 320 H SER 44 H SER 44 -11.331 2.841 -13.112 321 HA SER 44 HA SER 44 -9.019 1.813 -14.346 322 HG SER 44 HG SER 44 -11.121 4.086 -14.712 323 HB2 SER 44 HB2 SER 44 -9.487 4.605 -13.263 324 HB3 SER 44 HB3 SER 44 -8.290 4.142 -14.471 325 H PHE 45 H PHE 45 -9.683 2.948 -11.082 326 HA PHE 45 HA PHE 45 -6.980 3.009 -10.227 327 HD1 PHE 45 HD2 PHE 45 -6.160 4.390 -8.621 328 HD2 PHE 45 HD1 PHE 45 -9.040 2.265 -6.321 329 HE1 PHE 45 HE2 PHE 45 -4.714 4.586 -6.638 330 HE2 PHE 45 HE1 PHE 45 -7.604 2.458 -4.333 331 HZ PHE 45 HZ PHE 45 -5.438 3.621 -4.490 332 HB2 PHE 45 HB2 PHE 45 -8.877 4.200 -9.100 333 HB3 PHE 45 HB3 PHE 45 -9.462 2.640 -8.532 334 H MET 46 H MET 46 -9.594 0.624 -9.829 335 HA MET 46 HA MET 46 -8.174 -1.270 -8.356 336 HB2 MET 46 HB2 MET 46 -10.605 -1.345 -8.676 337 HB3 MET 46 HB3 MET 46 -10.377 -1.747 -10.372 338 HG2 MET 46 HG2 MET 46 -10.953 -3.698 -9.000 339 HG3 MET 46 HG3 MET 46 -9.387 -3.861 -9.794 340 HE1 MET 46 HE1 MET 46 -10.079 -1.608 -6.639 341 HE2 MET 46 HE2 MET 46 -9.823 -2.760 -5.327 342 HE3 MET 46 HE3 MET 46 -11.197 -2.951 -6.416 343 H THR 47 H THR 47 -8.101 -0.582 -11.762 344 HA THR 47 HA THR 47 -6.954 -2.910 -12.771 345 HB THR 47 HB THR 47 -6.469 -0.050 -13.639 346 HG1 THR 47 HG1 THR 47 -8.697 -0.806 -13.672 347 HG21 THR 47 HG21 THR 47 -4.772 -1.523 -14.574 348 HG22 THR 47 HG22 THR 47 -5.906 -1.041 -15.836 349 HG23 THR 47 HG23 THR 47 -6.016 -2.649 -15.117 350 H LYS 48 H LYS 48 -5.337 -0.017 -11.427 351 HA LYS 48 HA LYS 48 -2.733 -1.101 -11.867 352 HB2 LYS 48 HB2 LYS 48 -1.929 0.844 -10.544 353 HB3 LYS 48 HB3 LYS 48 -2.929 1.265 -11.926 354 HG2 LYS 48 HG2 LYS 48 -4.856 1.468 -10.358 355 HG3 LYS 48 HG3 LYS 48 -3.714 1.261 -9.031 356 HD2 LYS 48 HD2 LYS 48 -3.457 3.392 -11.135 357 HD3 LYS 48 HD3 LYS 48 -4.284 3.625 -9.602 358 HE2 LYS 48 HE2 LYS 48 -2.243 3.142 -8.390 359 HE3 LYS 48 HE3 LYS 48 -1.405 2.803 -9.905 360 HZ1 LYS 48 HZ1 LYS 48 -1.587 5.059 -10.558 361 HZ2 LYS 48 HZ2 LYS 48 -1.014 5.068 -8.957 362 HZ3 LYS 48 HZ3 LYS 48 -2.639 5.426 -9.282 363 H LEU 49 H LEU 49 -5.003 -1.179 -9.226 364 HA LEU 49 HA LEU 49 -3.257 -2.007 -7.175 365 HG LEU 49 HG LEU 49 -6.505 -1.380 -5.504 366 HB2 LEU 49 HB2 LEU 49 -6.179 -2.447 -7.697 367 HB3 LEU 49 HB3 LEU 49 -5.394 -3.318 -6.397 368 HD11 LEU 49 HD11 LEU 49 -3.529 -0.958 -5.574 369 HD12 LEU 49 HD12 LEU 49 -4.409 -2.011 -4.466 370 HD13 LEU 49 HD13 LEU 49 -4.648 -0.265 -4.399 371 HD21 LEU 49 HD21 LEU 49 -6.549 -0.024 -7.532 372 HD22 LEU 49 HD22 LEU 49 -4.815 0.262 -7.376 373 HD23 LEU 49 HD23 LEU 49 -5.927 0.882 -6.153 374 H LYS 50 H LYS 50 -4.960 -3.855 -9.681 375 HA LYS 50 HA LYS 50 -4.108 -6.409 -8.848 376 HB2 LYS 50 HB2 LYS 50 -5.351 -5.248 -11.233 377 HB3 LYS 50 HB3 LYS 50 -4.325 -6.631 -11.581 378 HG2 LYS 50 HG2 LYS 50 -6.614 -7.332 -11.243 379 HG3 LYS 50 HG3 LYS 50 -5.580 -7.971 -9.967 380 HD2 LYS 50 HD2 LYS 50 -6.317 -6.095 -8.510 381 HD3 LYS 50 HD3 LYS 50 -7.447 -5.612 -9.778 382 HE2 LYS 50 HE2 LYS 50 -7.408 -8.260 -8.341 383 HE3 LYS 50 HE3 LYS 50 -8.562 -6.953 -8.080 384 HZ1 LYS 50 HZ1 LYS 50 -9.356 -7.222 -10.332 385 HZ2 LYS 50 HZ2 LYS 50 -9.449 -8.705 -9.511 386 HZ3 LYS 50 HZ3 LYS 50 -8.206 -8.434 -10.634 387 H GLU 51 H GLU 51 -2.677 -4.045 -11.027 388 HA GLU 51 HA GLU 51 -0.490 -5.552 -11.914 389 HB2 GLU 51 HB2 GLU 51 -0.616 -2.577 -11.445 390 HB3 GLU 51 HB3 GLU 51 0.520 -3.420 -12.492 391 HG2 GLU 51 HG2 GLU 51 -2.451 -3.517 -12.895 392 HG3 GLU 51 HG3 GLU 51 -1.416 -2.293 -13.613 393 H LEU 52 H LEU 52 -0.841 -3.327 -9.197 394 HA LEU 52 HA LEU 52 1.815 -3.537 -8.263 395 HG LEU 52 HG LEU 52 0.079 -1.120 -8.728 396 HB2 LEU 52 HB2 LEU 52 -0.745 -2.620 -6.974 397 HB3 LEU 52 HB3 LEU 52 0.800 -2.531 -6.163 398 HD11 LEU 52 HD11 LEU 52 0.479 -0.075 -5.932 399 HD12 LEU 52 HD12 LEU 52 -1.051 -0.169 -6.805 400 HD13 LEU 52 HD13 LEU 52 0.224 0.912 -7.371 401 HD21 LEU 52 HD21 LEU 52 2.593 -1.003 -7.068 402 HD22 LEU 52 HD22 LEU 52 2.233 0.012 -8.464 403 HD23 LEU 52 HD23 LEU 52 2.433 -1.729 -8.667 404 H ALA 53 H ALA 53 -1.170 -5.225 -7.387 405 HA ALA 53 HA ALA 53 -0.262 -6.453 -5.041 406 HB1 ALA 53 HB1 ALA 53 -2.302 -7.516 -6.990 407 HB2 ALA 53 HB2 ALA 53 -2.623 -6.355 -5.702 408 HB3 ALA 53 HB3 ALA 53 -2.117 -7.996 -5.302 409 H ALA 54 H ALA 54 -0.098 -7.541 -8.401 410 HA ALA 54 HA ALA 54 0.821 -10.147 -7.871 411 HB1 ALA 54 HB1 ALA 54 1.453 -10.216 -10.224 412 HB2 ALA 54 HB2 ALA 54 1.251 -8.468 -10.339 413 HB3 ALA 54 HB3 ALA 54 -0.145 -9.498 -10.017 414 H ALA 55 H ALA 55 2.514 -7.095 -8.229 415 HA ALA 55 HA ALA 55 5.108 -8.377 -8.309 416 HB1 ALA 55 HB1 ALA 55 4.718 -6.356 -9.616 417 HB2 ALA 55 HB2 ALA 55 5.997 -6.106 -8.428 418 HB3 ALA 55 HB3 ALA 55 4.384 -5.457 -8.136 419 H ALA 56 H ALA 56 3.078 -6.753 -5.963 420 HA ALA 56 HA ALA 56 5.200 -6.374 -4.062 421 HB1 ALA 56 HB1 ALA 56 3.473 -5.533 -2.577 422 HB2 ALA 56 HB2 ALA 56 2.225 -6.101 -3.686 423 HB3 ALA 56 HB3 ALA 56 3.327 -4.817 -4.182 424 H SER 57 H SER 57 2.375 -8.545 -4.217 425 HA SER 57 HA SER 57 3.296 -9.824 -1.768 426 HG SER 57 HG SER 57 0.899 -9.697 -4.290 427 HB2 SER 57 HB2 SER 57 1.103 -10.958 -1.781 428 HB3 SER 57 HB3 SER 57 0.940 -9.205 -1.860 429 H SER 58 H SER 58 3.046 -12.222 -1.655 430 HA SER 58 HA SER 58 4.395 -13.456 -3.917 431 HG SER 58 HG SER 58 5.216 -12.941 -1.009 432 HB2 SER 58 HB2 SER 58 3.683 -14.576 -1.193 433 HB3 SER 58 HB3 SER 58 4.697 -15.369 -2.397 434 H ALA 59 H ALA 59 1.369 -12.726 -3.459 435 HA ALA 59 HA ALA 59 0.111 -15.269 -4.010 436 HB1 ALA 59 HB1 ALA 59 -1.964 -14.023 -4.070 437 HB2 ALA 59 HB2 ALA 59 -1.081 -12.498 -4.048 438 HB3 ALA 59 HB3 ALA 59 -1.033 -13.561 -2.642 439 H ASP 60 H ASP 60 0.670 -16.053 -5.915 440 HA ASP 60 HA ASP 60 1.560 -14.472 -8.082 441 HB2 ASP 60 HB2 ASP 60 2.431 -16.681 -7.745 442 HB3 ASP 60 HB3 ASP 60 0.831 -17.395 -7.901 443 H GLU 61 H GLU 61 -1.572 -15.840 -7.309 444 HA GLU 61 HA GLU 61 -2.565 -15.059 -9.958 445 HB2 GLU 61 HB2 GLU 61 -3.056 -17.351 -9.021 446 HB3 GLU 61 HB3 GLU 61 -4.048 -16.569 -7.800 447 HG2 GLU 61 HG2 GLU 61 -5.601 -15.811 -9.407 448 HG3 GLU 61 HG3 GLU 61 -4.520 -16.213 -10.741 449 H GLY 62 H GLY 62 -1.941 -13.481 -7.308 450 HA2 GLY 62 HA2 GLY 62 -2.742 -11.189 -7.192 451 HA3 GLY 62 HA3 GLY 62 -4.356 -11.799 -7.524 452 H ALA 63 H ALA 63 -3.112 -10.216 -5.267 453 HA ALA 63 HA ALA 63 -3.203 -11.779 -2.921 454 HB1 ALA 63 HB1 ALA 63 -3.714 -8.822 -3.255 455 HB2 ALA 63 HB2 ALA 63 -2.142 -9.577 -2.985 456 HB3 ALA 63 HB3 ALA 63 -3.382 -9.649 -1.733 457 H SER 64 H SER 64 -4.836 -11.893 -1.321 458 HA SER 64 HA SER 64 -7.451 -12.277 -2.361 459 HG SER 64 HG SER 64 -5.654 -14.074 -0.057 460 HB2 SER 64 HB2 SER 64 -6.462 -12.220 0.499 461 HB3 SER 64 HB3 SER 64 -8.052 -12.778 -0.014 462 H VAL 65 H VAL 65 -8.316 -10.403 -3.125 463 HA VAL 65 HA VAL 65 -8.512 -8.168 -1.236 464 HB VAL 65 HB VAL 65 -7.281 -7.488 -3.178 465 HG11 VAL 65 HG11 VAL 65 -8.043 -9.198 -4.745 466 HG12 VAL 65 HG12 VAL 65 -8.181 -7.585 -5.440 467 HG13 VAL 65 HG13 VAL 65 -9.619 -8.412 -4.843 468 HG21 VAL 65 HG21 VAL 65 -8.820 -5.859 -2.229 469 HG22 VAL 65 HG22 VAL 65 -10.098 -6.419 -3.308 470 HG23 VAL 65 HG23 VAL 65 -8.665 -5.634 -3.972 471 H ALA 66 H ALA 66 -10.393 -7.969 -0.312 472 HA ALA 66 HA ALA 66 -12.834 -8.606 -1.814 473 HB1 ALA 66 HB1 ALA 66 -12.480 -7.923 1.109 474 HB2 ALA 66 HB2 ALA 66 -12.682 -9.545 0.448 475 HB3 ALA 66 HB3 ALA 66 -13.996 -8.376 0.329 476 H TYR 67 H TYR 67 -13.317 -6.914 -3.102 477 HA TYR 67 HA TYR 67 -13.060 -4.222 -1.924 478 HD1 TYR 67 HD1 TYR 67 -11.244 -6.776 -4.737 479 HD2 TYR 67 HD2 TYR 67 -13.806 -3.641 -6.041 480 HE1 TYR 67 HE1 TYR 67 -11.549 -7.927 -6.888 481 HE2 TYR 67 HE2 TYR 67 -14.122 -4.785 -8.193 482 HH TYR 67 HH TYR 67 -12.965 -6.418 -9.596 483 HB2 TYR 67 HB2 TYR 67 -12.400 -3.353 -4.100 484 HB3 TYR 67 HB3 TYR 67 -11.290 -4.611 -3.581 485 H LYS 68 H LYS 68 -14.436 -2.589 -2.815 486 HA LYS 68 HA LYS 68 -16.715 -3.511 -4.383 487 HB2 LYS 68 HB2 LYS 68 -18.370 -2.716 -2.918 488 HB3 LYS 68 HB3 LYS 68 -17.257 -3.588 -1.873 489 HG2 LYS 68 HG2 LYS 68 -16.273 -1.530 -1.120 490 HG3 LYS 68 HG3 LYS 68 -17.230 -0.603 -2.275 491 HD2 LYS 68 HD2 LYS 68 -18.331 -0.358 -0.204 492 HD3 LYS 68 HD3 LYS 68 -19.281 -1.537 -1.108 493 HE2 LYS 68 HE2 LYS 68 -19.110 -2.403 1.075 494 HE3 LYS 68 HE3 LYS 68 -17.959 -3.326 0.108 495 HZ1 LYS 68 HZ1 LYS 68 -16.159 -2.033 0.988 496 HZ2 LYS 68 HZ2 LYS 68 -17.086 -2.597 2.292 497 HZ3 LYS 68 HZ3 LYS 68 -17.230 -0.985 1.784 498 H ILE 69 H ILE 69 -17.693 -1.900 -5.547 499 HA ILE 69 HA ILE 69 -16.377 0.733 -5.522 500 HB ILE 69 HB ILE 69 -17.914 -0.570 -7.784 501 HG12 ILE 69 HG12 ILE 69 -14.942 -0.061 -7.499 502 HG13 ILE 69 HG13 ILE 69 -15.719 -1.635 -7.350 503 HG21 ILE 69 HG21 ILE 69 -16.354 2.012 -7.708 504 HG22 ILE 69 HG22 ILE 69 -18.110 1.867 -7.766 505 HG23 ILE 69 HG23 ILE 69 -17.134 1.318 -9.129 506 HD11 ILE 69 HD11 ILE 69 -14.680 -1.350 -9.531 507 HD12 ILE 69 HD12 ILE 69 -15.668 0.081 -9.824 508 HD13 ILE 69 HD13 ILE 69 -16.431 -1.503 -9.678 509 H LYS 70 H LYS 70 -17.611 2.072 -4.303 510 HA LYS 70 HA LYS 70 -20.514 1.619 -4.364 511 HB2 LYS 70 HB2 LYS 70 -19.447 1.540 -2.164 512 HB3 LYS 70 HB3 LYS 70 -18.848 3.171 -2.391 513 HG2 LYS 70 HG2 LYS 70 -20.702 3.402 -0.992 514 HG3 LYS 70 HG3 LYS 70 -21.282 3.878 -2.585 515 HD2 LYS 70 HD2 LYS 70 -21.633 1.094 -1.488 516 HD3 LYS 70 HD3 LYS 70 -22.806 2.380 -1.206 517 HE2 LYS 70 HE2 LYS 70 -23.030 2.640 -3.661 518 HE3 LYS 70 HE3 LYS 70 -21.948 1.265 -3.872 519 HZ1 LYS 70 HZ1 LYS 70 -23.543 -0.104 -2.644 520 HZ2 LYS 70 HZ2 LYS 70 -24.235 0.565 -4.042 521 HZ3 LYS 70 HZ3 LYS 70 -24.594 1.224 -2.518 522 H ASP 71 H ASP 71 -21.563 2.810 -5.681 523 HA ASP 71 HA ASP 71 -20.659 5.288 -6.731 524 HB2 ASP 71 HB2 ASP 71 -22.957 5.416 -7.695 525 HB3 ASP 71 HB3 ASP 71 -22.136 3.905 -8.055 526 H LEU 72 H LEU 72 -20.871 7.271 -5.879 527 HA LEU 72 HA LEU 72 -22.744 7.600 -3.628 528 HG LEU 72 HG LEU 72 -19.608 6.833 -3.427 529 HB2 LEU 72 HB2 LEU 72 -20.174 9.122 -4.095 530 HB3 LEU 72 HB3 LEU 72 -21.238 9.269 -2.708 531 HD11 LEU 72 HD11 LEU 72 -18.231 8.679 -2.659 532 HD12 LEU 72 HD12 LEU 72 -18.305 7.407 -1.439 533 HD13 LEU 72 HD13 LEU 72 -19.260 8.877 -1.241 534 HD21 LEU 72 HD21 LEU 72 -21.295 7.385 -0.990 535 HD22 LEU 72 HD22 LEU 72 -20.307 5.951 -1.279 536 HD23 LEU 72 HD23 LEU 72 -21.711 6.275 -2.295 537 H GLU 73 H GLU 73 -22.746 10.311 -3.401 538 HA GLU 73 HA GLU 73 -24.150 11.062 -5.833 539 HB2 GLU 73 HB2 GLU 73 -25.196 11.417 -3.590 540 HB3 GLU 73 HB3 GLU 73 -23.933 12.587 -3.233 541 HG2 GLU 73 HG2 GLU 73 -25.987 13.679 -3.936 542 HG3 GLU 73 HG3 GLU 73 -24.673 13.982 -5.072 543 H GLY 74 H GLY 74 -22.716 11.660 -7.362 544 HA2 GLY 74 HA2 GLY 74 -21.456 13.282 -8.458 545 HA3 GLY 74 HA3 GLY 74 -21.287 14.148 -6.938 546 H GLN 75 H GLN 75 -20.540 10.840 -6.736 547 HA GLN 75 HA GLN 75 -17.872 10.801 -7.603 548 HB2 GLN 75 HB2 GLN 75 -16.683 10.900 -5.465 549 HB3 GLN 75 HB3 GLN 75 -17.499 12.420 -5.791 550 HG2 GLN 75 HG2 GLN 75 -19.347 11.650 -4.295 551 HG3 GLN 75 HG3 GLN 75 -18.338 10.271 -3.865 552 HE21 GLN 75 HE21 GLN 75 -17.085 13.455 -4.521 553 HE22 GLN 75 HE22 GLN 75 -16.585 13.812 -2.904 554 H VAL 76 H VAL 76 -16.684 8.914 -6.266 555 HA VAL 76 HA VAL 76 -18.618 6.909 -5.335 556 HB VAL 76 HB VAL 76 -17.530 5.128 -6.635 557 HG11 VAL 76 HG11 VAL 76 -19.557 6.083 -7.526 558 HG12 VAL 76 HG12 VAL 76 -18.459 5.676 -8.844 559 HG13 VAL 76 HG13 VAL 76 -18.640 7.356 -8.333 560 HG21 VAL 76 HG21 VAL 76 -15.350 6.138 -6.950 561 HG22 VAL 76 HG22 VAL 76 -16.050 7.367 -8.002 562 HG23 VAL 76 HG23 VAL 76 -16.043 5.677 -8.506 563 H GLU 77 H GLU 77 -17.647 5.262 -4.024 564 HA GLU 77 HA GLU 77 -14.926 5.928 -3.133 565 HB2 GLU 77 HB2 GLU 77 -16.514 6.133 -1.300 566 HB3 GLU 77 HB3 GLU 77 -17.122 4.510 -1.608 567 HG2 GLU 77 HG2 GLU 77 -14.981 3.554 -1.000 568 HG3 GLU 77 HG3 GLU 77 -14.301 5.162 -0.777 569 H LEU 78 H LEU 78 -13.434 4.640 -3.879 570 HA LEU 78 HA LEU 78 -14.077 1.879 -4.570 571 HG LEU 78 HG LEU 78 -11.103 1.751 -6.768 572 HB2 LEU 78 HB2 LEU 78 -12.628 3.372 -6.027 573 HB3 LEU 78 HB3 LEU 78 -11.407 3.284 -4.777 574 HD11 LEU 78 HD11 LEU 78 -11.226 0.470 -4.048 575 HD12 LEU 78 HD12 LEU 78 -9.882 1.411 -4.692 576 HD13 LEU 78 HD13 LEU 78 -10.317 -0.129 -5.434 577 HD21 LEU 78 HD21 LEU 78 -12.363 -0.345 -6.754 578 HD22 LEU 78 HD22 LEU 78 -13.406 1.048 -7.034 579 HD23 LEU 78 HD23 LEU 78 -13.372 0.276 -5.447 580 H ASP 79 H ASP 79 -14.078 0.486 -2.979 581 HA ASP 79 HA ASP 79 -12.218 0.892 -0.721 582 HB2 ASP 79 HB2 ASP 79 -14.458 1.238 0.064 583 HB3 ASP 79 HB3 ASP 79 -15.034 -0.203 -0.763 584 H ALA 80 H ALA 80 -10.942 -0.800 -0.137 585 HA ALA 80 HA ALA 80 -11.492 -3.441 -1.227 586 HB1 ALA 80 HB1 ALA 80 -10.248 -2.308 -3.006 587 HB2 ALA 80 HB2 ALA 80 -9.329 -3.643 -2.311 588 HB3 ALA 80 HB3 ALA 80 -8.938 -1.979 -1.874 589 H ALA 81 H ALA 81 -10.746 -5.057 0.008 590 HA ALA 81 HA ALA 81 -8.850 -4.398 2.170 591 HB1 ALA 81 HB1 ALA 81 -10.914 -6.605 2.120 592 HB2 ALA 81 HB2 ALA 81 -11.079 -5.073 2.975 593 HB3 ALA 81 HB3 ALA 81 -9.828 -6.218 3.456 594 H PHE 82 H PHE 82 -6.882 -5.057 1.621 595 HA PHE 82 HA PHE 82 -6.576 -7.390 -0.144 596 HD1 PHE 82 HD1 PHE 82 -6.253 -3.517 -0.540 597 HD2 PHE 82 HD2 PHE 82 -4.733 -6.940 -2.565 598 HE1 PHE 82 HE1 PHE 82 -6.902 -2.526 -2.696 599 HE2 PHE 82 HE2 PHE 82 -5.383 -5.954 -4.725 600 HZ PHE 82 HZ PHE 82 -6.466 -3.741 -4.790 601 HB2 PHE 82 HB2 PHE 82 -4.765 -5.082 0.564 602 HB3 PHE 82 HB3 PHE 82 -4.164 -6.510 -0.267 603 H THR 83 H THR 83 -6.299 -9.254 0.913 604 HA THR 83 HA THR 83 -4.675 -9.300 3.342 605 HB THR 83 HB THR 83 -6.132 -11.575 1.969 606 HG1 THR 83 HG1 THR 83 -6.845 -9.998 4.249 607 HG21 THR 83 HG21 THR 83 -4.250 -12.301 3.373 608 HG22 THR 83 HG22 THR 83 -5.800 -12.766 4.077 609 HG23 THR 83 HG23 THR 83 -4.914 -11.386 4.728 610 H PHE 84 H PHE 84 -2.551 -9.514 3.125 611 HA PHE 84 HA PHE 84 -1.475 -10.683 0.667 612 HD1 PHE 84 HD1 PHE 84 0.102 -8.688 -0.790 613 HD2 PHE 84 HD2 PHE 84 -1.588 -7.191 2.813 614 HE1 PHE 84 HE1 PHE 84 -0.589 -6.644 -1.968 615 HE2 PHE 84 HE2 PHE 84 -2.284 -5.142 1.643 616 HZ PHE 84 HZ PHE 84 -1.785 -4.867 -0.750 617 HB2 PHE 84 HB2 PHE 84 -0.120 -9.080 2.846 618 HB3 PHE 84 HB3 PHE 84 0.660 -9.659 1.378 619 H SER 85 H SER 85 0.886 -11.675 1.274 620 HA SER 85 HA SER 85 0.222 -13.875 3.099 621 HG SER 85 HG SER 85 2.394 -12.679 0.704 622 HB2 SER 85 HB2 SER 85 2.219 -14.970 1.818 623 HB3 SER 85 HB3 SER 85 0.650 -14.837 1.025 624 H CYS 86 H CYS 86 2.194 -11.140 2.820 625 HA CYS 86 HA CYS 86 3.730 -12.000 5.168 626 HG CYS 86 HG CYS 86 5.049 -12.588 1.390 627 HB2 CYS 86 HB2 CYS 86 4.962 -10.467 2.872 628 HB3 CYS 86 HB3 CYS 86 5.783 -11.109 4.288 629 H GLN 87 H GLN 87 4.536 -10.202 6.447 630 HA GLN 87 HA GLN 87 2.716 -8.090 6.771 631 HB2 GLN 87 HB2 GLN 87 4.164 -8.813 8.590 632 HB3 GLN 87 HB3 GLN 87 5.587 -8.307 7.691 633 HG2 GLN 87 HG2 GLN 87 5.160 -6.631 9.303 634 HG3 GLN 87 HG3 GLN 87 4.687 -5.978 7.744 635 HE21 GLN 87 HE21 GLN 87 2.779 -8.323 9.480 636 HE22 GLN 87 HE22 GLN 87 1.453 -7.259 9.823 637 H ALA 88 H ALA 88 5.947 -8.152 5.308 638 HA ALA 88 HA ALA 88 6.193 -5.421 4.814 639 HB1 ALA 88 HB1 ALA 88 7.919 -6.003 3.215 640 HB2 ALA 88 HB2 ALA 88 7.343 -7.670 3.167 641 HB3 ALA 88 HB3 ALA 88 8.053 -7.022 4.647 642 H GLU 89 H GLU 89 4.764 -7.971 2.855 643 HA GLU 89 HA GLU 89 4.458 -6.594 0.458 644 HB2 GLU 89 HB2 GLU 89 2.601 -8.686 1.593 645 HB3 GLU 89 HB3 GLU 89 2.788 -8.260 -0.104 646 HG2 GLU 89 HG2 GLU 89 5.051 -9.099 -0.099 647 HG3 GLU 89 HG3 GLU 89 4.948 -9.437 1.629 648 H MET 90 H MET 90 2.559 -6.466 3.390 649 HA MET 90 HA MET 90 0.321 -5.120 2.223 650 HB2 MET 90 HB2 MET 90 0.139 -6.398 4.324 651 HB3 MET 90 HB3 MET 90 1.213 -5.248 5.110 652 HG2 MET 90 HG2 MET 90 -0.453 -3.464 4.610 653 HG3 MET 90 HG3 MET 90 -1.540 -4.721 4.025 654 HE1 MET 90 HE1 MET 90 0.977 -4.834 7.032 655 HE2 MET 90 HE2 MET 90 -0.067 -4.389 8.382 656 HE3 MET 90 HE3 MET 90 0.310 -3.205 7.131 657 H ILE 91 H ILE 91 2.933 -4.036 4.376 658 HA ILE 91 HA ILE 91 2.168 -1.323 4.231 659 HB ILE 91 HB ILE 91 4.599 -1.029 5.217 660 HG12 ILE 91 HG12 ILE 91 4.012 -3.963 5.691 661 HG13 ILE 91 HG13 ILE 91 5.350 -3.323 4.751 662 HG21 ILE 91 HG21 ILE 91 2.495 -0.603 6.374 663 HG22 ILE 91 HG22 ILE 91 3.657 -1.405 7.430 664 HG23 ILE 91 HG23 ILE 91 2.331 -2.325 6.720 665 HD11 ILE 91 HD11 ILE 91 6.097 -4.037 6.935 666 HD12 ILE 91 HD12 ILE 91 4.929 -2.964 7.706 667 HD13 ILE 91 HD13 ILE 91 6.263 -2.288 6.772 668 H ILE 92 H ILE 92 4.545 -3.198 2.375 669 HA ILE 92 HA ILE 92 5.695 -0.906 1.130 670 HB ILE 92 HB ILE 92 6.636 -2.407 -0.521 671 HG12 ILE 92 HG12 ILE 92 4.961 -4.591 0.722 672 HG13 ILE 92 HG13 ILE 92 4.669 -3.858 -0.852 673 HG21 ILE 92 HG21 ILE 92 7.899 -3.897 0.960 674 HG22 ILE 92 HG22 ILE 92 6.741 -3.565 2.250 675 HG23 ILE 92 HG23 ILE 92 7.751 -2.265 1.616 676 HD11 ILE 92 HD11 ILE 92 7.081 -5.469 -0.053 677 HD12 ILE 92 HD12 ILE 92 6.848 -4.689 -1.617 678 HD13 ILE 92 HD13 ILE 92 5.768 -5.987 -1.110 679 H PHE 93 H PHE 93 2.892 -2.866 0.557 680 HA PHE 93 HA PHE 93 2.282 -2.030 -2.062 681 HD1 PHE 93 HD2 PHE 93 0.990 -4.189 -3.245 682 HD2 PHE 93 HD1 PHE 93 -1.674 -1.945 -0.804 683 HE1 PHE 93 HE2 PHE 93 -0.720 -4.317 -5.005 684 HE2 PHE 93 HE1 PHE 93 -3.390 -2.072 -2.559 685 HZ PHE 93 HZ PHE 93 -2.913 -3.258 -4.664 686 HB2 PHE 93 HB2 PHE 93 1.278 -3.970 -0.778 687 HB3 PHE 93 HB3 PHE 93 0.313 -2.793 0.100 688 H GLU 94 H GLU 94 1.236 -0.856 1.114 689 HA GLU 94 HA GLU 94 -0.392 1.246 0.273 690 HB2 GLU 94 HB2 GLU 94 1.316 1.525 2.723 691 HB3 GLU 94 HB3 GLU 94 -0.352 2.019 2.473 692 HG2 GLU 94 HG2 GLU 94 -0.889 -0.474 2.362 693 HG3 GLU 94 HG3 GLU 94 0.725 -0.721 3.015 694 H LEU 95 H LEU 95 3.089 1.130 0.900 695 HA LEU 95 HA LEU 95 3.599 3.865 0.433 696 HG LEU 95 HG LEU 95 4.757 1.785 2.462 697 HB2 LEU 95 HB2 LEU 95 5.402 1.467 0.137 698 HB3 LEU 95 HB3 LEU 95 5.950 3.129 0.038 699 HD11 LEU 95 HD11 LEU 95 7.542 2.779 1.884 700 HD12 LEU 95 HD12 LEU 95 7.035 1.092 1.959 701 HD13 LEU 95 HD13 LEU 95 6.980 2.093 3.410 702 HD21 LEU 95 HD21 LEU 95 4.094 4.129 2.359 703 HD22 LEU 95 HD22 LEU 95 5.773 4.605 2.108 704 HD23 LEU 95 HD23 LEU 95 5.284 3.871 3.636 705 H SER 96 H SER 96 3.853 1.029 -1.707 706 HA SER 96 HA SER 96 4.652 2.266 -4.039 707 HG SER 96 HG SER 96 4.610 -0.555 -2.785 708 HB2 SER 96 HB2 SER 96 2.670 -0.008 -3.743 709 HB3 SER 96 HB3 SER 96 3.528 0.407 -5.228 710 H LEU 97 H LEU 97 1.363 2.006 -2.730 711 HA LEU 97 HA LEU 97 -0.052 3.146 -4.851 712 HG LEU 97 HG LEU 97 -0.505 1.084 -2.438 713 HB2 LEU 97 HB2 LEU 97 -0.610 3.486 -1.899 714 HB3 LEU 97 HB3 LEU 97 -1.761 3.730 -3.200 715 HD11 LEU 97 HD11 LEU 97 -3.300 2.149 -2.034 716 HD12 LEU 97 HD12 LEU 97 -2.095 1.875 -0.774 717 HD13 LEU 97 HD13 LEU 97 -2.757 0.510 -1.674 718 HD21 LEU 97 HD21 LEU 97 -2.107 0.131 -4.021 719 HD22 LEU 97 HD22 LEU 97 -0.997 1.241 -4.828 720 HD23 LEU 97 HD23 LEU 97 -2.645 1.751 -4.461 721 H ARG 98 H ARG 98 1.503 4.673 -2.082 722 HA ARG 98 HA ARG 98 0.633 7.313 -2.783 723 HE ARG 98 HE ARG 98 -0.931 6.318 2.019 724 HB2 ARG 98 HB2 ARG 98 2.658 6.386 -0.741 725 HB3 ARG 98 HB3 ARG 98 1.988 8.010 -0.853 726 HG2 ARG 98 HG2 ARG 98 -0.156 7.278 -0.217 727 HG3 ARG 98 HG3 ARG 98 0.272 5.582 -0.453 728 HD2 ARG 98 HD2 ARG 98 1.900 5.788 1.394 729 HD3 ARG 98 HD3 ARG 98 1.341 7.438 1.667 730 HH11 ARG 98 HH11 ARG 98 2.114 4.798 2.828 731 HH12 ARG 98 HH12 ARG 98 1.441 3.807 4.088 732 HH21 ARG 98 HH21 ARG 98 -1.826 5.054 3.651 733 HH22 ARG 98 HH22 ARG 98 -0.830 3.946 4.556 734 H SER 99 H SER 99 3.531 5.409 -3.255 735 HA SER 99 HA SER 99 5.164 7.662 -3.973 736 HG SER 99 HG SER 99 5.440 5.100 -2.182 737 HB2 SER 99 HB2 SER 99 5.701 4.707 -4.355 738 HB3 SER 99 HB3 SER 99 6.892 6.006 -4.442 739 H LEU 100 H LEU 100 3.318 5.211 -5.697 740 HA LEU 100 HA LEU 100 4.383 5.787 -8.270 741 HG LEU 100 HG LEU 100 1.900 5.094 -9.958 742 HB2 LEU 100 HB2 LEU 100 3.236 3.687 -7.646 743 HB3 LEU 100 HB3 LEU 100 1.724 4.561 -7.548 744 HD11 LEU 100 HD11 LEU 100 4.313 5.009 -10.203 745 HD12 LEU 100 HD12 LEU 100 3.542 3.885 -11.322 746 HD13 LEU 100 HD13 LEU 100 4.308 3.280 -9.855 747 HD21 LEU 100 HD21 LEU 100 2.060 2.159 -9.282 748 HD22 LEU 100 HD22 LEU 100 1.401 2.836 -10.771 749 HD23 LEU 100 HD23 LEU 100 0.611 3.163 -9.227 750 H ALA 101 H ALA 101 2.092 7.343 -6.265 751 HA ALA 101 HA ALA 101 0.646 8.754 -8.266 752 HB1 ALA 101 HB1 ALA 101 1.153 9.500 -5.382 753 HB2 ALA 101 HB2 ALA 101 -0.204 8.543 -5.979 754 HB3 ALA 101 HB3 ALA 101 -0.048 10.237 -6.443 755 H LEU 102 H LEU 102 3.753 9.034 -6.872 756 HA LEU 102 HA LEU 102 5.554 10.327 -7.237 757 HG LEU 102 HG LEU 102 4.431 8.892 -9.770 758 HB2 LEU 102 HB2 LEU 102 3.976 11.306 -9.616 759 HB3 LEU 102 HB3 LEU 102 5.680 11.605 -9.339 760 HD11 LEU 102 HD11 LEU 102 5.614 8.928 -11.901 761 HD12 LEU 102 HD12 LEU 102 6.176 10.566 -11.569 762 HD13 LEU 102 HD13 LEU 102 4.456 10.256 -11.795 763 HD21 LEU 102 HD21 LEU 102 7.322 9.700 -9.471 764 HD22 LEU 102 HD22 LEU 102 6.734 8.082 -9.857 765 HD23 LEU 102 HD23 LEU 102 6.372 8.802 -8.289 766 H GLU 103 H GLU 103 2.860 12.434 -8.163 767 HA GLU 103 HA GLU 103 4.042 14.829 -7.367 768 HB2 GLU 103 HB2 GLU 103 2.210 14.840 -8.896 769 HB3 GLU 103 HB3 GLU 103 1.158 14.037 -7.740 770 HG2 GLU 103 HG2 GLU 103 1.166 16.020 -6.332 771 HG3 GLU 103 HG3 GLU 103 2.259 16.824 -7.459 772 H HIS 104 H HIS 104 1.970 12.616 -5.586 773 HA HIS 104 HA HIS 104 1.503 12.356 -3.381 774 HD1 HIS 104 HD1 HIS 104 5.818 13.621 -3.545 775 HD2 HIS 104 HD2 HIS 104 3.328 10.593 -2.152 776 HE1 HIS 104 HE1 HIS 104 7.228 11.540 -3.521 777 HE2 HIS 104 HE2 HIS 104 5.757 9.764 -2.499 778 HB2 HIS 104 HB2 HIS 104 3.611 14.478 -2.928 779 HB3 HIS 104 HB3 HIS 104 2.824 13.555 -1.656 780 H HIS 105 H HIS 105 -0.155 13.074 -2.172 781 HA HIS 105 HA HIS 105 -0.726 15.938 -2.110 782 HD1 HIS 105 HD1 HIS 105 -2.357 17.447 -3.974 783 HD2 HIS 105 HD2 HIS 105 -4.929 15.339 -1.477 784 HE1 HIS 105 HE1 HIS 105 -4.242 19.028 -3.446 785 HE2 HIS 105 HE2 HIS 105 -5.892 17.654 -2.127 786 HB2 HIS 105 HB2 HIS 105 -2.054 14.816 -3.975 787 HB3 HIS 105 HB3 HIS 105 -2.909 13.935 -2.712 788 H HIS 106 H HIS 106 -2.319 12.904 -1.100 789 HA HIS 106 HA HIS 106 -2.652 13.956 1.579 790 HD1 HIS 106 HD1 HIS 106 -3.978 10.012 2.858 791 HD2 HIS 106 HD2 HIS 106 -5.117 14.016 2.728 792 HE1 HIS 106 HE1 HIS 106 -5.299 10.418 4.963 793 HE2 HIS 106 HE2 HIS 106 -5.824 12.883 4.950 794 HB2 HIS 106 HB2 HIS 106 -4.292 12.406 0.270 795 HB3 HIS 106 HB3 HIS 106 -3.219 11.111 0.787 796 H HIS 107 H HIS 107 -1.058 13.857 3.016 797 HA HIS 107 HA HIS 107 1.344 12.484 2.224 798 HD1 HIS 107 HD1 HIS 107 1.111 16.757 3.774 799 HD2 HIS 107 HD2 HIS 107 2.860 14.031 1.161 800 HE1 HIS 107 HE1 HIS 107 2.010 18.123 1.861 801 HE2 HIS 107 HE2 HIS 107 2.924 16.440 0.221 802 HB2 HIS 107 HB2 HIS 107 0.717 14.388 4.465 803 HB3 HIS 107 HB3 HIS 107 2.292 13.621 4.297 804 H HIS 108 H HIS 108 1.635 10.465 2.622 805 HA HIS 108 HA HIS 108 2.397 8.697 3.797 806 HD1 HIS 108 HD1 HIS 108 2.700 7.754 7.585 807 HD2 HIS 108 HD2 HIS 108 5.340 9.211 4.710 808 HE1 HIS 108 HE1 HIS 108 4.809 6.403 7.846 809 HE2 HIS 108 HE2 HIS 108 6.435 7.398 6.193 810 HB2 HIS 108 HB2 HIS 108 3.014 10.735 5.415 811 HB3 HIS 108 HB3 HIS 108 1.885 9.885 6.465 812 H HIS 109 H HIS 109 -0.659 9.481 3.604 813 HA HIS 109 HA HIS 109 -1.485 7.015 4.934 814 HD1 HIS 109 HD1 HIS 109 -3.217 9.919 8.019 815 HD2 HIS 109 HD2 HIS 109 -1.427 6.315 6.958 816 HE1 HIS 109 HE1 HIS 109 -2.546 8.829 10.186 817 HE2 HIS 109 HE2 HIS 109 -1.659 6.564 9.529 818 HB2 HIS 109 HB2 HIS 109 -2.569 9.725 5.495 819 HB3 HIS 109 HB3 HIS 109 -3.729 8.407 5.371
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